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 3ejr_1_A DATA FIRST_RESID 30 DATA SEQUENCE QcQDVVQDVP NVDVQMLELY DRMSFKDIDG GVWKQGWNIK YDPLKYNAHH DATA SEQUENCE KLKVFVVPHS HNDPGWIQTF EEYYQHDTKH ILSNALRHLH DNPEMKFIWA DATA SEQUENCE EISYFARFYH DLGENKKLQM KSIVKNGQLE FVTGGWVMPD EANSHWRNVL DATA SEQUENCE LQLTEGQTWL KQFMNVTPTA SWAIDPFGHS PTMPYILQKS GFKNMLIQRT DATA SEQUENCE HYSVKKELAQ QRQLEFLWRQ IWDNKGDTAL FTHMMPFYSY DIPHTcGPDP DATA SEQUENCE KVccQFDFKR MGSFGLScPW KVPPRTISDQ NVAARSDLLV DQWKKKAELY DATA SEQUENCE RTNVLLIPLG DDFRFKQNTE WDVQRVNYER LFEHINSQAH FNVQAQFGTL DATA SEQUENCE QEYFDAVHQA ERAGQAEFPT LSGDFFTYAD RSDNYWSGYY TSRPYHKRMD DATA SEQUENCE RVLMHYVRAA EMLSAWHSWD GMARIEERLE QARRELSLFQ HHDGITGTAK DATA SEQUENCE THVVVDYEQR MQEALKACQM VMQQSVYRLL TKPSIYSPDF SFSYFTLDDS DATA SEQUENCE RWPGSGVEDS RTTIILGEDI LPSKHVVMHN TLPHWREQLV DFYVSSPFVS DATA SEQUENCE VTDLANNPVE AQVSPVWSWH HDTLTKTIHP QGSTTKYRII FKARVPPMGL DATA SEQUENCE ATYVLTISDS KPEHTSYASN LLLRKNPTSL PLGQYPEDVK FGDPREISLR DATA SEQUENCE VGNGPTLAFS EQGLLKSIQL TQDSPHVPVH FKFLKYGVRS HGDRSGAYLF DATA SEQUENCE LPNGPASPVE LGQPVVLVTK GKLESSVSVG LPSVVHQTIM RGGAPEIRNL DATA SEQUENCE VDIGSLDNTE IVMRLETHID SGDIFYTDLN GLQFIKRRRL DKLPLQANYY DATA SEQUENCE PIPSGMFIED ANTRLTLLTG QPLGGSSLAS GELEIMQDRR LASDDERGLG DATA SEQUENCE QGVLDNKPVL HIYRLVLEKV NNcVRPSKLH PAGYLTSAAH KASQSLLDPL DATA SEQUENCE DKFIFAENEW IGAQGQFGGD HPSAREDLDV SVMRRLTKSS AKTQRVGYVL DATA SEQUENCE HRTNLMQcGT PEEHTQKLDV cHLLPNVARc ERTTLTFLQN LEHLDGMVAP DATA SEQUENCE EVcPMETAAY VSSHSS 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 30 Q HA 0.000 nan 4.340 nan 0.000 0.214 30 Q C 0.000 176.009 176.000 0.016 0.000 1.003 30 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 30 Q CB 0.000 28.741 28.738 0.006 0.000 1.108 31 c N 3.413 122.019 118.600 0.009 0.000 2.637 31 c HA 0.198 4.768 4.570 -0.001 0.000 0.418 31 c C 0.547 174.650 174.090 0.022 0.000 1.319 31 c CA -0.138 56.198 56.329 0.012 0.000 1.949 31 c CB -0.181 42.323 42.510 -0.010 0.000 2.639 31 c HN 0.344 nan 8.230 nan 0.000 0.594 32 Q N 1.670 121.499 119.800 0.048 0.000 2.361 32 Q HA 0.037 4.377 4.340 -0.001 0.000 0.276 32 Q C 0.000 176.032 176.000 0.052 0.000 1.022 32 Q CA 0.417 56.264 55.803 0.073 0.000 0.898 32 Q CB 0.509 29.328 28.738 0.135 0.000 1.246 32 Q HN 0.632 nan 8.270 nan 0.000 0.410 33 D N 1.809 122.242 120.400 0.055 0.000 2.339 33 D HA 0.058 4.697 4.640 -0.001 0.000 0.241 33 D C 0.541 176.890 176.300 0.082 0.000 1.183 33 D CA -0.203 53.813 54.000 0.027 0.000 0.859 33 D CB 1.194 42.010 40.800 0.025 0.000 1.067 33 D HN 0.386 nan 8.370 nan 0.000 0.484 34 V N 2.270 122.186 119.914 0.004 0.000 3.649 34 V HA 0.064 4.184 4.120 -0.001 0.000 0.275 34 V C 1.121 177.268 176.094 0.088 0.000 1.281 34 V CA 0.212 62.570 62.300 0.097 0.000 1.143 34 V CB 0.154 31.862 31.823 -0.191 0.000 0.892 34 V HN 0.382 nan 8.190 nan 0.000 0.441 35 V N -0.029 119.857 119.914 -0.048 0.000 2.911 35 V HA 0.114 4.234 4.120 -0.001 0.000 0.237 35 V C 2.227 178.309 176.094 -0.019 0.000 1.156 35 V CA 1.191 63.417 62.300 -0.123 0.000 1.180 35 V CB 0.041 31.741 31.823 -0.205 0.000 0.932 35 V HN 0.490 nan 8.190 nan 0.000 0.483 36 Q N -0.363 119.471 119.800 0.057 0.000 2.282 36 Q HA 0.156 4.495 4.340 -0.001 0.000 0.206 36 Q C -0.569 175.514 176.000 0.138 0.000 0.878 36 Q CA 0.166 56.018 55.803 0.081 0.000 0.944 36 Q CB 0.739 29.497 28.738 0.033 0.000 1.100 36 Q HN 0.476 nan 8.270 nan 0.000 0.509 37 D N 1.258 121.774 120.400 0.194 0.000 2.461 37 D HA 0.169 4.808 4.640 -0.001 0.000 0.240 37 D C -0.720 175.693 176.300 0.188 0.000 1.094 37 D CA -0.250 53.847 54.000 0.162 0.000 0.868 37 D CB 2.021 42.895 40.800 0.124 0.000 1.062 37 D HN -0.160 nan 8.370 nan 0.000 0.530 38 V N 4.336 124.332 119.914 0.135 0.000 2.446 38 V HA 0.127 4.247 4.120 -0.001 0.000 0.276 38 V C -1.801 174.272 176.094 -0.036 0.000 1.030 38 V CA -1.062 61.238 62.300 0.000 0.000 1.033 38 V CB 0.291 32.124 31.823 0.016 0.000 0.993 38 V HN 0.298 nan 8.190 nan 0.000 0.477 39 P HA 0.115 nan 4.420 nan 0.000 0.269 39 P C -0.461 176.810 177.300 -0.047 0.000 1.209 39 P CA -0.232 62.836 63.100 -0.052 0.000 0.776 39 P CB 0.371 32.023 31.700 -0.081 0.000 0.876 40 N N 2.447 121.134 118.700 -0.021 0.000 2.462 40 N HA 0.340 5.079 4.740 -0.001 0.000 0.242 40 N C -1.115 174.386 175.510 -0.014 0.000 1.010 40 N CA -0.468 52.572 53.050 -0.016 0.000 0.939 40 N CB 0.101 38.587 38.487 -0.001 0.000 1.127 40 N HN 0.133 nan 8.380 nan 0.000 0.509 41 V N 0.492 120.391 119.914 -0.026 0.000 2.914 41 V HA 0.533 4.653 4.120 -0.001 0.000 0.314 41 V C 0.559 176.638 176.094 -0.024 0.000 1.084 41 V CA -0.753 61.535 62.300 -0.021 0.000 0.963 41 V CB 2.071 33.871 31.823 -0.039 0.000 1.025 41 V HN 0.405 nan 8.190 nan 0.000 0.432 42 D N 1.211 121.604 120.400 -0.012 0.000 2.144 42 D HA 0.011 4.650 4.640 -0.001 0.000 0.200 42 D C 0.514 176.784 176.300 -0.050 0.000 0.978 42 D CA 1.612 55.602 54.000 -0.017 0.000 0.833 42 D CB 0.460 41.266 40.800 0.010 0.000 0.961 42 D HN 0.435 nan 8.370 nan 0.000 0.470 43 V N 1.524 121.387 119.914 -0.086 0.000 2.443 43 V HA 0.208 4.328 4.120 -0.001 0.000 0.293 43 V C -0.342 175.656 176.094 -0.161 0.000 1.021 43 V CA -0.749 61.469 62.300 -0.137 0.000 0.848 43 V CB 2.370 34.066 31.823 -0.211 0.000 0.998 43 V HN -0.082 nan 8.190 nan 0.000 0.424 44 Q N 4.554 124.272 119.800 -0.138 0.000 2.341 44 Q HA 0.441 4.780 4.340 -0.001 0.000 0.268 44 Q C 0.399 176.303 176.000 -0.161 0.000 1.013 44 Q CA -0.684 55.031 55.803 -0.147 0.000 0.798 44 Q CB 1.890 30.563 28.738 -0.108 0.000 1.253 44 Q HN 0.670 nan 8.270 nan 0.000 0.457 45 M N 3.045 122.503 119.600 -0.237 0.000 2.213 45 M HA -0.148 4.332 4.480 -0.001 0.000 0.263 45 M C 1.595 177.790 176.300 -0.175 0.000 1.062 45 M CA 0.910 56.053 55.300 -0.261 0.000 1.105 45 M CB -0.763 31.549 32.600 -0.480 0.000 1.385 45 M HN 0.566 nan 8.290 nan 0.000 0.417 46 L N 0.645 121.762 121.223 -0.175 0.000 2.056 46 L HA -0.125 4.215 4.340 -0.001 0.000 0.207 46 L C 2.467 179.332 176.870 -0.008 0.000 1.078 46 L CA 1.804 56.575 54.840 -0.115 0.000 0.749 46 L CB -0.640 41.328 42.059 -0.153 0.000 0.901 46 L HN 0.253 nan 8.230 nan 0.000 0.433 47 E N -0.347 119.833 120.200 -0.032 0.000 2.072 47 E HA -0.233 4.116 4.350 -0.001 0.000 0.191 47 E C 2.207 178.819 176.600 0.020 0.000 0.985 47 E CA 1.489 57.883 56.400 -0.010 0.000 0.801 47 E CB -0.324 29.355 29.700 -0.034 0.000 0.750 47 E HN 0.441 nan 8.360 nan 0.000 0.452 48 L N 0.516 121.749 121.223 0.016 0.000 2.012 48 L HA -0.201 4.138 4.340 -0.001 0.000 0.210 48 L C 2.308 179.244 176.870 0.109 0.000 1.073 48 L CA 1.701 56.558 54.840 0.028 0.000 0.748 48 L CB -0.988 41.073 42.059 0.003 0.000 0.891 48 L HN 0.130 nan 8.230 nan 0.000 0.431 49 Y N 0.008 120.306 120.300 -0.002 0.000 2.165 49 Y HA -0.278 4.272 4.550 -0.001 0.000 0.286 49 Y C 2.580 178.572 175.900 0.153 0.000 1.155 49 Y CA 1.855 60.041 58.100 0.144 0.000 1.164 49 Y CB -0.678 37.871 38.460 0.148 0.000 0.978 49 Y HN 0.365 nan 8.280 nan 0.000 0.513 50 D N -0.422 120.091 120.400 0.187 0.000 2.178 50 D HA -0.162 4.478 4.640 -0.001 0.000 0.201 50 D C 2.253 178.592 176.300 0.066 0.000 0.980 50 D CA 1.166 55.229 54.000 0.106 0.000 0.842 50 D CB -0.085 40.751 40.800 0.061 0.000 0.948 50 D HN 0.284 nan 8.370 nan 0.000 0.472 51 R N -1.125 119.396 120.500 0.034 0.000 2.265 51 R HA 0.184 4.524 4.340 -0.001 0.000 0.194 51 R C 0.541 176.814 176.300 -0.045 0.000 0.931 51 R CA -0.157 55.939 56.100 -0.006 0.000 1.032 51 R CB 0.127 30.414 30.300 -0.023 0.000 0.980 51 R HN 0.110 nan 8.270 nan 0.000 0.497 52 M N 0.881 120.423 119.600 -0.096 0.000 2.238 52 M HA 0.011 4.491 4.480 -0.001 0.000 0.347 52 M C 1.171 177.414 176.300 -0.095 0.000 1.173 52 M CA 0.116 55.263 55.300 -0.256 0.000 1.147 52 M CB 1.754 33.913 32.600 -0.734 0.000 1.547 52 M HN 0.112 nan 8.290 nan 0.000 0.455 53 S N 1.221 116.859 115.700 -0.104 0.000 2.503 53 S HA 0.121 4.590 4.470 -0.001 0.000 0.217 53 S C 0.568 175.284 174.600 0.194 0.000 0.999 53 S CA -0.286 57.950 58.200 0.060 0.000 0.914 53 S CB -0.168 63.041 63.200 0.014 0.000 0.782 53 S HN 0.772 nan 8.310 nan 0.000 0.520 54 F N 0.903 120.781 119.950 -0.119 0.000 3.074 54 F HA -0.148 4.379 4.527 -0.001 0.000 0.289 54 F C 0.173 175.983 175.800 0.017 0.000 0.863 54 F CA 0.270 58.206 58.000 -0.107 0.000 1.121 54 F CB -1.920 36.990 39.000 -0.150 0.000 1.169 54 F HN 0.093 nan 8.300 nan 0.000 0.570 55 K N 1.156 121.635 120.400 0.133 0.000 2.350 55 K HA 0.146 4.466 4.320 -0.001 0.000 0.279 55 K C 0.319 177.028 176.600 0.182 0.000 1.027 55 K CA -0.084 56.283 56.287 0.134 0.000 0.969 55 K CB 0.590 33.130 32.500 0.067 0.000 0.954 55 K HN 0.098 nan 8.250 nan 0.000 0.474 56 D N 3.671 124.190 120.400 0.198 0.000 2.638 56 D HA 0.130 4.769 4.640 -0.001 0.000 0.245 56 D C -0.245 176.102 176.300 0.078 0.000 1.176 56 D CA -0.402 53.723 54.000 0.208 0.000 0.996 56 D CB -0.349 40.587 40.800 0.227 0.000 1.012 56 D HN 0.502 nan 8.370 nan 0.000 0.515 57 I N -0.395 120.209 120.570 0.055 0.000 2.577 57 I HA 0.393 4.562 4.170 -0.001 0.000 0.305 57 I C -0.300 175.809 176.117 -0.015 0.000 0.986 57 I CA -0.697 60.613 61.300 0.016 0.000 1.189 57 I CB 1.646 39.656 38.000 0.017 0.000 1.355 57 I HN -0.067 nan 8.210 nan 0.000 0.476 58 D N 4.658 125.048 120.400 -0.017 0.000 2.342 58 D HA 0.150 4.789 4.640 -0.001 0.000 0.260 58 D C 0.922 177.210 176.300 -0.021 0.000 1.278 58 D CA 0.175 54.159 54.000 -0.026 0.000 0.910 58 D CB 1.319 42.111 40.800 -0.014 0.000 1.079 58 D HN 0.789 nan 8.370 nan 0.000 0.496 59 G N 2.465 111.235 108.800 -0.050 0.000 2.920 59 G HA2 0.395 4.355 3.960 -0.001 0.000 0.208 59 G HA3 0.395 4.355 3.960 -0.001 0.000 0.208 59 G C 0.908 175.809 174.900 0.001 0.000 1.159 59 G CA 0.414 45.486 45.100 -0.047 0.000 0.784 59 G HN 0.909 nan 8.290 nan 0.000 0.535 60 G N -0.631 108.176 108.800 0.011 0.000 2.464 60 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.216 60 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.216 60 G C 1.191 176.114 174.900 0.038 0.000 1.186 60 G CA 0.740 45.859 45.100 0.031 0.000 1.010 60 G HN 1.108 nan 8.290 nan 0.000 0.585 61 V N -3.530 116.406 119.914 0.036 0.000 2.392 61 V HA 0.059 4.179 4.120 -0.001 0.000 0.249 61 V C 1.481 177.604 176.094 0.049 0.000 1.059 61 V CA 2.455 64.760 62.300 0.008 0.000 1.051 61 V CB -0.603 31.190 31.823 -0.049 0.000 0.658 61 V HN 1.468 nan 8.190 nan 0.000 0.455 62 W N 2.634 123.843 121.300 -0.151 0.000 2.365 62 W HA 0.426 5.086 4.660 -0.001 0.000 0.371 62 W C 1.159 177.641 176.519 -0.062 0.000 1.006 62 W CA -1.752 55.494 57.345 -0.164 0.000 1.528 62 W CB 0.181 29.506 29.460 -0.226 0.000 1.497 62 W HN 0.060 nan 8.180 nan 0.000 0.367 63 K N 2.709 123.203 120.400 0.157 0.000 2.147 63 K HA -0.175 4.145 4.320 -0.001 0.000 0.205 63 K C 0.817 177.344 176.600 -0.122 0.000 1.049 63 K CA 1.440 57.726 56.287 -0.001 0.000 0.936 63 K CB 0.172 32.668 32.500 -0.007 0.000 0.722 63 K HN 0.561 nan 8.250 nan 0.000 0.446 64 Q N -0.736 118.950 119.800 -0.190 0.000 2.188 64 Q HA 0.154 4.494 4.340 -0.001 0.000 0.212 64 Q C 0.761 176.411 176.000 -0.584 0.000 0.846 64 Q CA -0.362 55.306 55.803 -0.224 0.000 0.989 64 Q CB 1.349 30.090 28.738 0.005 0.000 1.114 64 Q HN 0.218 nan 8.270 nan 0.000 0.488 65 G N 0.598 108.633 108.800 -1.275 0.000 3.392 65 G HA2 0.527 4.487 3.960 -0.001 0.000 0.185 65 G HA3 0.527 4.487 3.960 -0.001 0.000 0.185 65 G C -1.433 173.160 174.900 -0.512 0.000 1.206 65 G CA -0.334 43.717 45.100 -1.749 0.000 0.776 65 G HN 0.353 nan 8.290 nan 0.000 0.697 66 W N -1.383 119.624 121.300 -0.489 0.000 2.988 66 W HA 0.636 5.296 4.660 -0.000 0.000 0.355 66 W C -1.456 175.144 176.519 0.134 0.000 1.233 66 W CA -1.165 56.122 57.345 -0.097 0.000 1.176 66 W CB 0.669 30.090 29.460 -0.064 0.000 1.477 66 W HN 0.183 nan 8.180 nan 0.000 0.582 67 N N 2.159 121.009 118.700 0.250 0.000 2.402 67 N HA 0.211 4.950 4.740 -0.001 0.000 0.259 67 N C -0.283 175.360 175.510 0.223 0.000 1.167 67 N CA 0.045 53.196 53.050 0.169 0.000 0.949 67 N CB 0.277 38.864 38.487 0.167 0.000 1.212 67 N HN 0.405 nan 8.380 nan 0.000 0.493 68 I N 2.012 122.617 120.570 0.059 0.000 2.556 68 I HA 0.006 4.176 4.170 -0.001 0.000 0.284 68 I C 0.795 177.072 176.117 0.267 0.000 1.114 68 I CA 0.309 61.714 61.300 0.175 0.000 1.418 68 I CB 0.485 38.533 38.000 0.081 0.000 1.394 68 I HN 0.121 nan 8.210 nan 0.000 0.552 69 K N 6.149 126.745 120.400 0.326 0.000 2.259 69 K HA 0.579 4.899 4.320 -0.001 0.000 0.249 69 K C -1.329 175.446 176.600 0.292 0.000 0.942 69 K CA -0.682 55.736 56.287 0.218 0.000 0.816 69 K CB 2.199 34.792 32.500 0.154 0.000 1.155 69 K HN 0.476 nan 8.250 nan 0.000 0.428 70 Y N -1.851 118.536 120.300 0.146 0.000 2.581 70 Y HA 0.423 4.972 4.550 -0.001 0.000 0.345 70 Y C -1.012 174.957 175.900 0.115 0.000 1.036 70 Y CA -1.565 56.621 58.100 0.143 0.000 1.042 70 Y CB 1.171 39.735 38.460 0.173 0.000 1.289 70 Y HN 0.392 nan 8.280 nan 0.000 0.471 71 D N 3.200 123.740 120.400 0.233 0.000 2.339 71 D HA 0.306 4.945 4.640 -0.001 0.000 0.241 71 D C -1.906 174.545 176.300 0.252 0.000 1.183 71 D CA -2.499 51.583 54.000 0.136 0.000 0.859 71 D CB 1.614 42.472 40.800 0.096 0.000 1.067 71 D HN 0.397 nan 8.370 nan 0.000 0.484 72 P HA -0.076 nan 4.420 nan 0.000 0.221 72 P C 1.293 178.731 177.300 0.230 0.000 1.145 72 P CA 0.803 64.080 63.100 0.294 0.000 0.795 72 P CB 0.224 32.026 31.700 0.170 0.000 0.775 73 L N -0.914 120.394 121.223 0.142 0.000 2.599 73 L HA 0.025 4.365 4.340 -0.001 0.000 0.230 73 L C 2.352 179.263 176.870 0.068 0.000 1.141 73 L CA 0.559 55.461 54.840 0.102 0.000 0.877 73 L CB -0.556 41.542 42.059 0.065 0.000 1.009 73 L HN -0.007 nan 8.230 nan 0.000 0.447 74 K N 0.393 120.817 120.400 0.039 0.000 2.097 74 K HA -0.145 4.175 4.320 -0.001 0.000 0.206 74 K C -0.113 176.339 176.600 -0.247 0.000 1.049 74 K CA 1.143 57.340 56.287 -0.150 0.000 0.933 74 K CB 0.104 32.452 32.500 -0.254 0.000 0.717 74 K HN 0.064 nan 8.250 nan 0.000 0.442 75 Y N 0.845 121.265 120.300 0.199 0.000 2.342 75 Y HA 0.252 4.802 4.550 -0.000 0.000 0.334 75 Y C 0.010 175.990 175.900 0.133 0.000 1.067 75 Y CA -1.051 57.154 58.100 0.176 0.000 1.128 75 Y CB 1.429 39.946 38.460 0.095 0.000 1.200 75 Y HN 0.276 nan 8.280 nan 0.000 0.464 76 N N -0.511 118.347 118.700 0.264 0.000 3.243 76 N HA 0.516 5.256 4.740 -0.001 0.000 0.280 76 N C 0.065 175.610 175.510 0.058 0.000 1.545 76 N CA -0.411 52.724 53.050 0.141 0.000 0.854 76 N CB 0.384 38.947 38.487 0.126 0.000 1.612 76 N HN 0.458 nan 8.380 nan 0.000 0.577 77 A N -1.182 121.584 122.820 -0.090 0.000 2.024 77 A HA -0.181 4.139 4.320 -0.001 0.000 0.220 77 A C 0.957 178.379 177.584 -0.271 0.000 1.164 77 A CA 1.363 53.253 52.037 -0.245 0.000 0.643 77 A CB -1.070 17.683 19.000 -0.412 0.000 0.806 77 A HN 0.697 nan 8.150 nan 0.000 0.451 78 H N -3.013 116.116 119.070 0.098 0.000 2.551 78 H HA 0.143 4.698 4.556 -0.001 0.000 0.271 78 H C -0.296 175.139 175.328 0.179 0.000 0.984 78 H CA 0.735 56.845 56.048 0.104 0.000 1.164 78 H CB 0.141 29.952 29.762 0.082 0.000 1.437 78 H HN 0.721 nan 8.280 nan 0.000 0.550 79 H N 0.624 119.782 119.070 0.147 0.000 2.699 79 H HA 0.294 4.850 4.556 -0.000 0.000 0.256 79 H C -0.768 174.713 175.328 0.254 0.000 1.376 79 H CA -0.450 55.701 56.048 0.172 0.000 1.549 79 H CB 0.271 30.121 29.762 0.146 0.000 1.686 79 H HN -0.054 nan 8.280 nan 0.000 0.550 80 K N 2.139 122.508 120.400 -0.051 0.000 2.087 80 K HA 0.319 4.639 4.320 -0.001 0.000 0.255 80 K C -0.722 175.690 176.600 -0.312 0.000 0.988 80 K CA -1.261 54.969 56.287 -0.096 0.000 0.915 80 K CB 1.707 34.139 32.500 -0.114 0.000 1.043 80 K HN 0.226 nan 8.250 nan 0.000 0.457 81 L N 2.292 123.187 121.223 -0.548 0.000 2.281 81 L HA 0.174 4.513 4.340 -0.001 0.000 0.285 81 L C -0.901 175.691 176.870 -0.464 0.000 1.074 81 L CA 0.266 54.665 54.840 -0.734 0.000 0.817 81 L CB 0.279 41.733 42.059 -1.010 0.000 1.168 81 L HN 0.387 nan 8.230 nan 0.000 0.434 82 K N 4.637 124.793 120.400 -0.408 0.000 2.234 82 K HA 0.538 4.858 4.320 -0.001 0.000 0.277 82 K C -1.198 175.060 176.600 -0.570 0.000 1.038 82 K CA -0.593 55.415 56.287 -0.465 0.000 0.888 82 K CB 1.608 33.890 32.500 -0.365 0.000 1.091 82 K HN 0.395 nan 8.250 nan 0.000 0.467 83 V N 4.716 124.176 119.914 -0.756 0.000 2.384 83 V HA 0.368 4.488 4.120 -0.001 0.000 0.287 83 V C -0.892 174.659 176.094 -0.905 0.000 1.020 83 V CA -0.809 60.996 62.300 -0.825 0.000 0.850 83 V CB 0.614 31.756 31.823 -1.134 0.000 0.987 83 V HN 0.549 nan 8.190 nan 0.000 0.436 84 F N 3.745 123.438 119.950 -0.428 0.000 2.361 84 F HA 0.486 5.012 4.527 -0.001 0.000 0.364 84 F C 0.210 175.827 175.800 -0.306 0.000 1.117 84 F CA -0.703 57.103 58.000 -0.324 0.000 1.071 84 F CB 1.705 40.584 39.000 -0.202 0.000 1.188 84 F HN 0.187 nan 8.300 nan 0.000 0.464 85 V N 5.137 125.010 119.914 -0.067 0.000 2.385 85 V HA 0.268 4.387 4.120 -0.001 0.000 0.269 85 V C -0.161 176.030 176.094 0.162 0.000 1.043 85 V CA -0.591 61.736 62.300 0.045 0.000 0.906 85 V CB 1.133 33.056 31.823 0.167 0.000 0.995 85 V HN 0.427 nan 8.190 nan 0.000 0.467 86 V N 8.427 128.387 119.914 0.077 0.000 2.293 86 V HA 0.312 4.432 4.120 -0.001 0.000 0.275 86 V C -2.349 173.785 176.094 0.067 0.000 1.021 86 V CA -1.941 60.372 62.300 0.022 0.000 0.815 86 V CB 1.397 33.141 31.823 -0.131 0.000 1.025 86 V HN 0.716 nan 8.190 nan 0.000 0.448 87 P HA 0.325 nan 4.420 nan 0.000 0.271 87 P C -0.839 176.480 177.300 0.032 0.000 1.216 87 P CA 0.259 63.351 63.100 -0.012 0.000 0.771 87 P CB 0.356 31.864 31.700 -0.321 0.000 0.864 88 H N -1.117 117.971 119.070 0.031 0.000 2.990 88 H HA 0.797 5.353 4.556 -0.001 0.000 0.336 88 H C -1.482 173.961 175.328 0.191 0.000 1.306 88 H CA -1.127 54.838 56.048 -0.138 0.000 1.118 88 H CB 1.026 30.652 29.762 -0.227 0.000 1.856 88 H HN 0.202 nan 8.280 nan 0.000 0.538 89 S N 0.713 116.430 115.700 0.029 0.000 2.720 89 S HA 0.207 4.677 4.470 -0.001 0.000 0.278 89 S C -1.868 172.657 174.600 -0.124 0.000 1.172 89 S CA -0.672 57.582 58.200 0.090 0.000 1.019 89 S CB 0.197 63.634 63.200 0.395 0.000 1.049 89 S HN 0.848 nan 8.310 nan 0.000 0.483 90 H N 4.455 123.416 119.070 -0.182 0.000 2.782 90 H HA 0.444 4.999 4.556 -0.001 0.000 0.285 90 H C -0.176 174.749 175.328 -0.671 0.000 1.093 90 H CA 0.213 56.066 56.048 -0.325 0.000 1.410 90 H CB 0.235 29.831 29.762 -0.276 0.000 1.439 90 H HN 0.563 nan 8.280 nan 0.000 0.469 91 N N 5.534 123.589 118.700 -1.076 0.000 2.518 91 N HA 0.069 4.808 4.740 -0.001 0.000 0.254 91 N C -1.202 173.839 175.510 -0.783 0.000 0.979 91 N CA -0.616 51.642 53.050 -1.320 0.000 0.930 91 N CB 1.152 39.165 38.487 -0.790 0.000 1.152 91 N HN 0.662 nan 8.380 nan 0.000 0.505 92 D N 2.750 122.723 120.400 -0.711 0.000 2.343 92 D HA 0.122 4.762 4.640 -0.001 0.000 0.255 92 D C -2.097 174.240 176.300 0.062 0.000 1.187 92 D CA -0.959 52.882 54.000 -0.265 0.000 0.875 92 D CB 1.548 42.422 40.800 0.123 0.000 1.136 92 D HN 0.195 nan 8.370 nan 0.000 0.469 93 P HA 0.188 nan 4.420 nan 0.000 0.235 93 P C 0.035 177.523 177.300 0.313 0.000 1.765 93 P CA -0.006 63.101 63.100 0.012 0.000 1.034 93 P CB 0.165 31.753 31.700 -0.186 0.000 1.984 94 G N 0.377 109.533 108.800 0.592 0.000 2.911 94 G HA2 0.011 3.970 3.960 -0.001 0.000 0.686 94 G HA3 0.011 3.970 3.960 -0.001 0.000 0.686 94 G C -1.091 174.330 174.900 0.868 0.000 1.136 94 G CA -0.617 44.866 45.100 0.639 0.000 0.764 94 G HN 0.358 nan 8.290 nan 0.000 0.626 95 W N 2.342 123.976 121.300 0.557 0.000 4.489 95 W HA 0.293 4.953 4.660 -0.001 0.000 0.161 95 W C 0.917 177.605 176.519 0.282 0.000 3.472 95 W CA 0.894 58.529 57.345 0.483 0.000 1.144 95 W CB -0.761 29.059 29.460 0.599 0.000 2.110 95 W HN 0.522 nan 8.180 nan 0.000 0.358 96 I N 2.067 122.635 120.570 -0.004 0.000 3.226 96 I HA 0.144 4.314 4.170 -0.001 0.000 0.277 96 I C 0.429 176.408 176.117 -0.230 0.000 1.243 96 I CA 1.065 62.186 61.300 -0.297 0.000 1.459 96 I CB -1.155 36.614 38.000 -0.384 0.000 1.093 96 I HN 0.091 nan 8.210 nan 0.000 0.453 97 Q N 0.011 119.534 119.800 -0.462 0.000 2.528 97 Q HA 0.364 4.703 4.340 -0.001 0.000 0.289 97 Q C 0.061 175.817 176.000 -0.406 0.000 1.091 97 Q CA -0.583 54.896 55.803 -0.540 0.000 0.797 97 Q CB 2.350 30.527 28.738 -0.935 0.000 1.466 97 Q HN 0.231 nan 8.270 nan 0.000 0.436 98 T N -2.182 112.247 114.554 -0.207 0.000 2.766 98 T HA 0.119 4.469 4.350 -0.001 0.000 0.295 98 T C 0.897 175.709 174.700 0.187 0.000 1.024 98 T CA -0.444 61.623 62.100 -0.055 0.000 1.018 98 T CB 0.292 69.160 68.868 -0.000 0.000 1.002 98 T HN 0.560 nan 8.240 nan 0.000 0.532 99 F N 1.230 121.270 119.950 0.149 0.000 2.063 99 F HA -0.163 4.364 4.527 -0.001 0.000 0.298 99 F C 2.458 178.481 175.800 0.371 0.000 1.109 99 F CA 2.445 60.611 58.000 0.278 0.000 1.212 99 F CB -0.394 38.651 39.000 0.076 0.000 0.973 99 F HN 0.789 nan 8.300 nan 0.000 0.480 100 E N 0.331 120.803 120.200 0.452 0.000 2.106 100 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 100 E C 2.032 178.793 176.600 0.268 0.000 0.984 100 E CA 1.724 58.346 56.400 0.370 0.000 0.806 100 E CB -0.288 29.605 29.700 0.323 0.000 0.750 100 E HN 0.617 nan 8.360 nan 0.000 0.458 101 E N -0.990 119.313 120.200 0.172 0.000 2.051 101 E HA -0.201 4.149 4.350 -0.001 0.000 0.192 101 E C 1.859 178.522 176.600 0.104 0.000 0.991 101 E CA 1.244 57.692 56.400 0.080 0.000 0.799 101 E CB -0.260 29.417 29.700 -0.038 0.000 0.748 101 E HN 0.342 nan 8.360 nan 0.000 0.449 102 Y N -0.535 119.821 120.300 0.093 0.000 2.224 102 Y HA -0.250 4.300 4.550 -0.001 0.000 0.289 102 Y C 2.196 178.107 175.900 0.017 0.000 1.146 102 Y CA 1.201 59.303 58.100 0.004 0.000 1.182 102 Y CB -0.735 37.774 38.460 0.083 0.000 0.983 102 Y HN 0.194 nan 8.280 nan 0.000 0.524 103 Y N 0.861 121.247 120.300 0.142 0.000 2.128 103 Y HA -0.286 4.263 4.550 -0.001 0.000 0.284 103 Y C 2.287 178.218 175.900 0.052 0.000 1.154 103 Y CA 1.910 60.030 58.100 0.033 0.000 1.149 103 Y CB -0.347 38.124 38.460 0.019 0.000 0.976 103 Y HN 0.055 nan 8.280 nan 0.000 0.505 104 Q N -1.177 118.639 119.800 0.025 0.000 2.123 104 Q HA -0.201 4.138 4.340 -0.001 0.000 0.199 104 Q C 2.123 178.146 176.000 0.038 0.000 0.966 104 Q CA 2.047 57.830 55.803 -0.033 0.000 0.845 104 Q CB -0.573 28.240 28.738 0.124 0.000 0.907 104 Q HN 0.689 nan 8.270 nan 0.000 0.439 105 H N -0.042 119.047 119.070 0.032 0.000 2.497 105 H HA 0.017 4.572 4.556 -0.001 0.000 0.282 105 H C 0.886 176.305 175.328 0.151 0.000 1.003 105 H CA 1.262 57.361 56.048 0.085 0.000 1.307 105 H CB 0.657 30.432 29.762 0.021 0.000 1.437 105 H HN 0.137 nan 8.280 nan 0.000 0.544 106 D N -2.064 118.418 120.400 0.137 0.000 3.081 106 D HA 0.013 4.652 4.640 -0.001 0.000 0.243 106 D C 1.625 177.973 176.300 0.080 0.000 1.388 106 D CA 0.786 54.858 54.000 0.120 0.000 1.245 106 D CB 0.153 40.970 40.800 0.028 0.000 1.319 106 D HN 0.163 nan 8.370 nan 0.000 0.377 107 T N 2.479 117.016 114.554 -0.029 0.000 2.821 107 T HA -0.138 4.212 4.350 -0.001 0.000 0.267 107 T C 1.932 176.475 174.700 -0.262 0.000 1.046 107 T CA 1.424 63.469 62.100 -0.092 0.000 1.139 107 T CB -0.063 68.596 68.868 -0.349 0.000 0.871 107 T HN 0.243 nan 8.240 nan 0.000 0.454 108 K N 0.798 120.861 120.400 -0.561 0.000 2.147 108 K HA -0.156 4.164 4.320 -0.001 0.000 0.205 108 K C 1.922 178.263 176.600 -0.432 0.000 1.049 108 K CA 1.429 57.359 56.287 -0.594 0.000 0.936 108 K CB -0.373 31.556 32.500 -0.952 0.000 0.722 108 K HN 0.403 nan 8.250 nan 0.000 0.446 109 H N 0.956 119.936 119.070 -0.151 0.000 2.395 109 H HA 0.056 4.611 4.556 -0.001 0.000 0.299 109 H C 2.289 177.602 175.328 -0.025 0.000 1.070 109 H CA 1.382 57.391 56.048 -0.065 0.000 1.356 109 H CB -0.142 29.587 29.762 -0.055 0.000 1.401 109 H HN 0.193 nan 8.280 nan 0.000 0.524 110 I N 0.750 121.387 120.570 0.111 0.000 2.163 110 I HA -0.274 3.896 4.170 -0.001 0.000 0.243 110 I C 2.437 178.566 176.117 0.019 0.000 1.085 110 I CA 1.142 62.559 61.300 0.196 0.000 1.347 110 I CB -0.253 37.937 38.000 0.315 0.000 1.044 110 I HN 0.094 nan 8.210 nan 0.000 0.408 111 L N -0.432 120.581 121.223 -0.349 0.000 2.109 111 L HA -0.150 4.189 4.340 -0.001 0.000 0.207 111 L C 2.675 179.189 176.870 -0.593 0.000 1.086 111 L CA 0.971 55.363 54.840 -0.747 0.000 0.760 111 L CB -0.464 40.595 42.059 -1.668 0.000 0.910 111 L HN 0.159 nan 8.230 nan 0.000 0.437 112 S N 0.119 115.590 115.700 -0.382 0.000 2.368 112 S HA -0.142 4.327 4.470 -0.001 0.000 0.225 112 S C 1.705 176.267 174.600 -0.062 0.000 1.030 112 S CA 1.378 59.596 58.200 0.031 0.000 0.999 112 S CB -0.270 63.008 63.200 0.129 0.000 0.844 112 S HN 0.459 nan 8.310 nan 0.000 0.459 113 N N 1.627 120.276 118.700 -0.085 0.000 2.300 113 N HA 0.119 4.858 4.740 -0.001 0.000 0.179 113 N C 1.737 176.877 175.510 -0.616 0.000 1.016 113 N CA 0.981 53.905 53.050 -0.211 0.000 0.876 113 N CB -0.557 37.917 38.487 -0.021 0.000 0.979 113 N HN 0.390 nan 8.380 nan 0.000 0.432 114 A N 1.220 123.758 122.820 -0.470 0.000 1.902 114 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 114 A C 2.191 179.487 177.584 -0.481 0.000 1.181 114 A CA 0.972 52.574 52.037 -0.725 0.000 0.623 114 A CB -0.713 18.144 19.000 -0.239 0.000 0.818 114 A HN 0.223 nan 8.150 nan 0.000 0.443 115 L N 0.088 121.176 121.223 -0.225 0.000 2.012 115 L HA -0.154 4.186 4.340 -0.001 0.000 0.210 115 L C 2.467 179.263 176.870 -0.123 0.000 1.073 115 L CA 2.564 57.351 54.840 -0.087 0.000 0.748 115 L CB -0.697 41.382 42.059 0.033 0.000 0.891 115 L HN 0.504 nan 8.230 nan 0.000 0.431 116 R N -1.725 118.670 120.500 -0.175 0.000 2.070 116 R HA -0.246 4.094 4.340 -0.001 0.000 0.233 116 R C 2.433 178.631 176.300 -0.170 0.000 1.137 116 R CA 1.968 57.983 56.100 -0.141 0.000 0.945 116 R CB -0.547 29.676 30.300 -0.129 0.000 0.845 116 R HN 0.565 nan 8.270 nan 0.000 0.430 117 H N 0.033 118.807 119.070 -0.494 0.000 2.389 117 H HA 0.022 4.577 4.556 -0.001 0.000 0.299 117 H C 2.038 177.139 175.328 -0.379 0.000 1.081 117 H CA 1.817 57.551 56.048 -0.524 0.000 1.345 117 H CB 0.042 29.216 29.762 -0.981 0.000 1.393 117 H HN 0.151 nan 8.280 nan 0.000 0.520 118 L N -0.665 120.374 121.223 -0.307 0.000 2.056 118 L HA -0.192 4.148 4.340 -0.001 0.000 0.207 118 L C 2.586 179.403 176.870 -0.088 0.000 1.078 118 L CA 1.399 56.142 54.840 -0.162 0.000 0.749 118 L CB -0.675 41.312 42.059 -0.120 0.000 0.901 118 L HN 0.503 nan 8.230 nan 0.000 0.433 119 H N 0.658 119.643 119.070 -0.143 0.000 2.319 119 H HA -0.216 4.340 4.556 -0.001 0.000 0.297 119 H C 1.247 176.509 175.328 -0.110 0.000 1.097 119 H CA 2.154 58.145 56.048 -0.096 0.000 1.285 119 H CB 0.215 29.929 29.762 -0.080 0.000 1.368 119 H HN 0.329 nan 8.280 nan 0.000 0.495 120 D N 0.253 120.573 120.400 -0.135 0.000 2.347 120 D HA 0.009 4.648 4.640 -0.001 0.000 0.213 120 D C -0.033 176.137 176.300 -0.216 0.000 0.985 120 D CA 0.439 54.327 54.000 -0.187 0.000 0.879 120 D CB 0.040 40.751 40.800 -0.148 0.000 0.919 120 D HN 0.326 nan 8.370 nan 0.000 0.526 121 N N 0.713 119.283 118.700 -0.216 0.000 2.762 121 N HA 0.141 4.881 4.740 -0.001 0.000 0.252 121 N C -2.211 173.257 175.510 -0.070 0.000 1.269 121 N CA -1.036 51.926 53.050 -0.146 0.000 0.799 121 N CB 2.347 40.721 38.487 -0.188 0.000 1.173 121 N HN -0.127 nan 8.380 nan 0.000 0.516 122 P HA -0.088 nan 4.420 nan 0.000 0.221 122 P C 0.928 178.244 177.300 0.027 0.000 1.145 122 P CA 1.196 64.278 63.100 -0.030 0.000 0.795 122 P CB 0.556 32.234 31.700 -0.037 0.000 0.775 123 E N -1.695 118.551 120.200 0.077 0.000 2.447 123 E HA 0.067 4.417 4.350 -0.001 0.000 0.195 123 E C 0.804 177.537 176.600 0.221 0.000 1.028 123 E CA 0.030 56.525 56.400 0.158 0.000 0.876 123 E CB -0.339 29.487 29.700 0.209 0.000 0.885 123 E HN 0.249 nan 8.360 nan 0.000 0.500 124 M N 1.596 121.259 119.600 0.105 0.000 2.243 124 M HA 0.085 4.564 4.480 -0.001 0.000 0.341 124 M C -0.300 175.983 176.300 -0.028 0.000 1.130 124 M CA 0.274 55.533 55.300 -0.069 0.000 1.162 124 M CB 0.441 33.007 32.600 -0.057 0.000 1.497 124 M HN -0.354 nan 8.290 nan 0.000 0.456 125 K N 3.172 123.522 120.400 -0.083 0.000 2.444 125 K HA 0.653 4.973 4.320 -0.001 0.000 0.252 125 K C -1.724 174.921 176.600 0.075 0.000 0.993 125 K CA -0.500 55.800 56.287 0.022 0.000 0.847 125 K CB 2.202 34.739 32.500 0.063 0.000 1.340 125 K HN 0.663 nan 8.250 nan 0.000 0.446 126 F N 1.444 121.317 119.950 -0.128 0.000 2.672 126 F HA 0.432 4.959 4.527 -0.001 0.000 0.311 126 F C -1.435 174.264 175.800 -0.169 0.000 1.113 126 F CA -1.266 56.644 58.000 -0.150 0.000 0.996 126 F CB 1.019 40.008 39.000 -0.019 0.000 1.286 126 F HN 0.458 nan 8.300 nan 0.000 0.441 127 I N 1.882 122.128 120.570 -0.540 0.000 2.648 127 I HA 0.608 4.778 4.170 -0.001 0.000 0.304 127 I C -1.717 173.970 176.117 -0.716 0.000 1.009 127 I CA -0.589 60.348 61.300 -0.605 0.000 1.114 127 I CB 2.474 40.060 38.000 -0.690 0.000 1.293 127 I HN 0.695 nan 8.210 nan 0.000 0.449 128 W N 4.639 125.550 121.300 -0.648 0.000 2.957 128 W HA 0.626 5.285 4.660 -0.001 0.000 0.336 128 W C -0.731 175.712 176.519 -0.127 0.000 1.087 128 W CA -0.535 56.561 57.345 -0.414 0.000 1.235 128 W CB 2.675 31.945 29.460 -0.316 0.000 1.399 128 W HN 0.795 nan 8.180 nan 0.000 0.480 129 A N 3.485 125.939 122.820 -0.610 0.000 1.984 129 A HA 0.155 4.474 4.320 -0.001 0.000 0.203 129 A C -0.008 177.537 177.584 -0.065 0.000 1.292 129 A CA 0.548 52.467 52.037 -0.197 0.000 0.782 129 A CB 0.008 18.952 19.000 -0.094 0.000 0.924 129 A HN 0.501 nan 8.150 nan 0.000 0.475 130 E N 0.942 120.998 120.200 -0.240 0.000 2.001 130 E HA 0.319 4.669 4.350 -0.001 0.000 0.279 130 E C 0.398 177.166 176.600 0.281 0.000 1.045 130 E CA -0.281 56.143 56.400 0.039 0.000 0.833 130 E CB 0.817 30.530 29.700 0.023 0.000 1.077 130 E HN 0.271 nan 8.360 nan 0.000 0.397 131 I N 1.528 122.159 120.570 0.102 0.000 2.761 131 I HA -0.179 3.990 4.170 -0.001 0.000 0.261 131 I C 1.931 177.714 176.117 -0.557 0.000 1.198 131 I CA 0.846 62.138 61.300 -0.013 0.000 1.482 131 I CB -1.353 36.691 38.000 0.074 0.000 1.100 131 I HN 0.411 nan 8.210 nan 0.000 0.445 132 S N 1.150 116.217 115.700 -1.056 0.000 2.365 132 S HA -0.263 4.206 4.470 -0.001 0.000 0.225 132 S C 2.139 176.429 174.600 -0.516 0.000 1.039 132 S CA 1.280 58.457 58.200 -1.705 0.000 1.033 132 S CB -1.001 61.235 63.200 -1.607 0.000 0.887 132 S HN 0.357 nan 8.310 nan 0.000 0.447 133 Y N 0.658 120.967 120.300 0.015 0.000 2.163 133 Y HA 0.116 4.665 4.550 -0.001 0.000 0.288 133 Y C 2.250 178.212 175.900 0.104 0.000 1.136 133 Y CA 0.495 58.702 58.100 0.178 0.000 1.147 133 Y CB -0.984 37.684 38.460 0.347 0.000 0.987 133 Y HN 0.334 nan 8.280 nan 0.000 0.509 134 F N 0.030 120.069 119.950 0.148 0.000 2.134 134 F HA -0.168 4.359 4.527 -0.001 0.000 0.299 134 F C 2.338 178.004 175.800 -0.223 0.000 1.097 134 F CA 1.243 59.219 58.000 -0.040 0.000 1.264 134 F CB -0.477 38.495 39.000 -0.047 0.000 1.001 134 F HN -0.014 nan 8.300 nan 0.000 0.479 135 A N 0.280 122.778 122.820 -0.536 0.000 1.902 135 A HA -0.223 4.096 4.320 -0.001 0.000 0.217 135 A C 2.181 179.616 177.584 -0.248 0.000 1.181 135 A CA 1.827 53.327 52.037 -0.896 0.000 0.623 135 A CB -0.805 17.486 19.000 -1.182 0.000 0.818 135 A HN 0.421 nan 8.150 nan 0.000 0.443 136 R N -1.163 119.236 120.500 -0.167 0.000 2.083 136 R HA -0.164 4.176 4.340 -0.001 0.000 0.237 136 R C 1.851 178.131 176.300 -0.035 0.000 1.137 136 R CA 2.116 58.147 56.100 -0.115 0.000 0.951 136 R CB -0.810 29.354 30.300 -0.227 0.000 0.851 136 R HN 0.460 nan 8.270 nan 0.000 0.434 137 F N 0.006 119.894 119.950 -0.104 0.000 2.075 137 F HA -0.212 4.314 4.527 -0.001 0.000 0.297 137 F C 2.034 177.784 175.800 -0.082 0.000 1.113 137 F CA 1.939 59.934 58.000 -0.007 0.000 1.218 137 F CB -0.848 38.083 39.000 -0.116 0.000 0.984 137 F HN 0.164 nan 8.300 nan 0.000 0.472 138 Y N -0.090 120.046 120.300 -0.275 0.000 2.181 138 Y HA -0.297 4.252 4.550 -0.001 0.000 0.288 138 Y C 2.739 178.561 175.900 -0.130 0.000 1.146 138 Y CA 2.337 60.308 58.100 -0.215 0.000 1.164 138 Y CB -0.978 37.546 38.460 0.106 0.000 0.982 138 Y HN 0.327 nan 8.280 nan 0.000 0.515 139 H N -0.468 118.602 119.070 -0.000 0.000 2.421 139 H HA -0.116 4.439 4.556 -0.001 0.000 0.298 139 H C 1.357 176.577 175.328 -0.180 0.000 1.087 139 H CA 2.106 58.115 56.048 -0.063 0.000 1.330 139 H CB -0.239 29.537 29.762 0.023 0.000 1.388 139 H HN 0.312 nan 8.280 nan 0.000 0.526 140 D N -0.203 120.061 120.400 -0.227 0.000 2.355 140 D HA 0.051 4.690 4.640 -0.001 0.000 0.218 140 D C 0.184 176.256 176.300 -0.380 0.000 1.004 140 D CA 0.130 53.972 54.000 -0.263 0.000 0.880 140 D CB 0.068 40.795 40.800 -0.122 0.000 0.911 140 D HN 0.348 nan 8.370 nan 0.000 0.528 141 L N 0.660 121.568 121.223 -0.524 0.000 2.426 141 L HA 0.273 4.613 4.340 -0.001 0.000 0.271 141 L C 1.417 178.062 176.870 -0.376 0.000 1.169 141 L CA -0.555 53.984 54.840 -0.501 0.000 0.836 141 L CB 0.788 42.492 42.059 -0.591 0.000 1.112 141 L HN -0.025 nan 8.230 nan 0.000 0.465 142 G N 0.967 109.604 108.800 -0.271 0.000 2.614 142 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.239 142 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.239 142 G C 0.675 175.456 174.900 -0.199 0.000 1.240 142 G CA -0.280 44.698 45.100 -0.202 0.000 0.842 142 G HN 0.819 nan 8.290 nan 0.000 0.584 143 E N 0.304 120.415 120.200 -0.147 0.000 2.118 143 E HA -0.204 4.145 4.350 -0.001 0.000 0.195 143 E C 2.218 178.769 176.600 -0.082 0.000 0.992 143 E CA 1.538 57.871 56.400 -0.111 0.000 0.804 143 E CB -0.132 29.529 29.700 -0.067 0.000 0.741 143 E HN 0.591 nan 8.360 nan 0.000 0.458 144 N N 0.144 118.798 118.700 -0.077 0.000 2.069 144 N HA -0.194 4.546 4.740 -0.001 0.000 0.191 144 N C 1.405 176.875 175.510 -0.068 0.000 1.031 144 N CA 1.338 54.352 53.050 -0.060 0.000 0.852 144 N CB 0.021 38.470 38.487 -0.063 0.000 1.018 144 N HN 0.039 nan 8.380 nan 0.000 0.423 145 K N 1.235 121.576 120.400 -0.099 0.000 2.103 145 K HA -0.012 4.308 4.320 -0.001 0.000 0.204 145 K C 2.023 178.586 176.600 -0.062 0.000 1.052 145 K CA 0.588 56.819 56.287 -0.094 0.000 0.945 145 K CB -0.196 32.227 32.500 -0.127 0.000 0.722 145 K HN 0.318 nan 8.250 nan 0.000 0.443 146 K N 0.845 121.165 120.400 -0.132 0.000 2.032 146 K HA -0.092 4.227 4.320 -0.001 0.000 0.209 146 K C 2.263 178.940 176.600 0.129 0.000 1.048 146 K CA 1.159 57.392 56.287 -0.090 0.000 0.927 146 K CB -0.227 32.115 32.500 -0.263 0.000 0.712 146 K HN 0.051 nan 8.250 nan 0.000 0.441 147 L N 1.001 122.265 121.223 0.069 0.000 2.056 147 L HA -0.216 4.124 4.340 -0.001 0.000 0.207 147 L C 2.590 179.524 176.870 0.107 0.000 1.078 147 L CA 1.271 56.169 54.840 0.097 0.000 0.749 147 L CB -0.392 41.700 42.059 0.054 0.000 0.901 147 L HN 0.262 nan 8.230 nan 0.000 0.433 148 Q N -0.841 119.001 119.800 0.070 0.000 2.084 148 Q HA -0.270 4.069 4.340 -0.001 0.000 0.202 148 Q C 2.212 178.298 176.000 0.143 0.000 0.978 148 Q CA 1.753 57.602 55.803 0.076 0.000 0.844 148 Q CB -0.195 28.521 28.738 -0.036 0.000 0.898 148 Q HN 0.368 nan 8.270 nan 0.000 0.426 149 M N 1.168 120.882 119.600 0.189 0.000 2.086 149 M HA -0.156 4.323 4.480 -0.001 0.000 0.261 149 M C 1.633 178.123 176.300 0.317 0.000 1.067 149 M CA 1.756 57.236 55.300 0.300 0.000 1.116 149 M CB 0.018 32.886 32.600 0.446 0.000 1.348 149 M HN -0.094 nan 8.290 nan 0.000 0.407 150 K N -1.015 119.572 120.400 0.312 0.000 2.103 150 K HA -0.152 4.168 4.320 -0.001 0.000 0.207 150 K C 2.283 178.989 176.600 0.177 0.000 1.048 150 K CA 1.611 58.050 56.287 0.255 0.000 0.930 150 K CB -0.453 32.183 32.500 0.226 0.000 0.716 150 K HN 0.411 nan 8.250 nan 0.000 0.444 151 S N 1.440 117.233 115.700 0.154 0.000 2.368 151 S HA -0.079 4.391 4.470 -0.001 0.000 0.224 151 S C 1.938 176.600 174.600 0.103 0.000 1.029 151 S CA 0.989 59.259 58.200 0.116 0.000 0.988 151 S CB -0.214 63.053 63.200 0.112 0.000 0.838 151 S HN 0.393 nan 8.310 nan 0.000 0.462 152 I N -0.901 119.741 120.570 0.120 0.000 2.830 152 I HA 0.055 4.225 4.170 -0.001 0.000 0.263 152 I C 1.817 177.974 176.117 0.067 0.000 1.230 152 I CA 0.657 62.008 61.300 0.086 0.000 1.480 152 I CB -0.328 37.723 38.000 0.085 0.000 1.095 152 I HN 0.089 nan 8.210 nan 0.000 0.455 153 V N 1.579 121.554 119.914 0.101 0.000 2.346 153 V HA -0.188 3.931 4.120 -0.001 0.000 0.244 153 V C 2.702 178.838 176.094 0.070 0.000 1.037 153 V CA 2.026 64.375 62.300 0.082 0.000 1.029 153 V CB -0.699 31.237 31.823 0.189 0.000 0.663 153 V HN 0.426 nan 8.190 nan 0.000 0.454 154 K N 1.505 121.955 120.400 0.083 0.000 2.103 154 K HA -0.234 4.086 4.320 -0.001 0.000 0.207 154 K C 1.764 178.386 176.600 0.037 0.000 1.048 154 K CA 1.915 58.238 56.287 0.059 0.000 0.930 154 K CB -0.221 32.315 32.500 0.061 0.000 0.716 154 K HN 0.665 nan 8.250 nan 0.000 0.444 155 N N -0.563 118.159 118.700 0.036 0.000 2.398 155 N HA -0.002 4.738 4.740 -0.001 0.000 0.188 155 N C 0.819 176.336 175.510 0.012 0.000 1.122 155 N CA 1.076 54.139 53.050 0.022 0.000 0.866 155 N CB 0.417 38.917 38.487 0.022 0.000 0.970 155 N HN 0.333 nan 8.380 nan 0.000 0.462 156 G N -0.102 108.703 108.800 0.007 0.000 2.159 156 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.256 156 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.256 156 G C 0.756 175.647 174.900 -0.015 0.000 0.977 156 G CA 0.499 45.593 45.100 -0.011 0.000 0.652 156 G HN 0.463 nan 8.290 nan 0.000 0.531 157 Q N -1.337 118.461 119.800 -0.003 0.000 2.096 157 Q HA 0.213 4.553 4.340 -0.001 0.000 0.197 157 Q C 1.234 177.232 176.000 -0.004 0.000 0.964 157 Q CA 1.072 56.878 55.803 0.005 0.000 0.838 157 Q CB 0.198 28.943 28.738 0.012 0.000 0.906 157 Q HN 0.609 nan 8.270 nan 0.000 0.444 158 L N 1.170 122.373 121.223 -0.034 0.000 2.272 158 L HA 0.303 4.642 4.340 -0.001 0.000 0.289 158 L C -0.957 175.747 176.870 -0.278 0.000 1.032 158 L CA -0.069 54.706 54.840 -0.108 0.000 0.810 158 L CB 1.473 43.481 42.059 -0.085 0.000 1.205 158 L HN -0.075 nan 8.230 nan 0.000 0.422 159 E N 4.240 124.235 120.200 -0.342 0.000 2.210 159 E HA 0.365 4.714 4.350 -0.001 0.000 0.266 159 E C -1.470 174.857 176.600 -0.455 0.000 0.883 159 E CA -0.755 55.445 56.400 -0.334 0.000 0.761 159 E CB 0.997 30.582 29.700 -0.191 0.000 1.156 159 E HN 0.511 nan 8.360 nan 0.000 0.412 160 F N 3.152 123.059 119.950 -0.073 0.000 2.412 160 F HA 0.219 4.745 4.527 -0.001 0.000 0.348 160 F C 0.300 176.070 175.800 -0.050 0.000 1.102 160 F CA -0.515 57.454 58.000 -0.053 0.000 1.196 160 F CB 1.205 40.186 39.000 -0.030 0.000 1.144 160 F HN 0.181 nan 8.300 nan 0.000 0.541 161 V N 0.019 119.995 119.914 0.104 0.000 2.495 161 V HA 0.647 4.766 4.120 -0.001 0.000 0.298 161 V C 0.247 176.468 176.094 0.213 0.000 1.031 161 V CA -0.509 61.847 62.300 0.092 0.000 0.871 161 V CB 0.890 32.650 31.823 -0.104 0.000 0.988 161 V HN 0.981 nan 8.190 nan 0.000 0.432 162 T N 3.273 118.027 114.554 0.333 0.000 13.132 162 T HA -0.310 4.039 4.350 -0.001 0.000 0.419 162 T C 1.749 176.679 174.700 0.384 0.000 1.442 162 T CA 2.893 65.241 62.100 0.414 0.000 2.366 162 T CB -1.695 67.320 68.868 0.245 0.000 2.813 162 T HN 2.784 nan 8.240 nan 0.000 0.650 163 G N 1.844 110.807 108.800 0.273 0.000 2.136 163 G HA2 0.121 4.081 3.960 -0.001 0.000 0.242 163 G HA3 0.121 4.081 3.960 -0.001 0.000 0.242 163 G C 0.306 175.347 174.900 0.235 0.000 0.989 163 G CA 0.562 45.799 45.100 0.228 0.000 0.682 163 G HN 1.570 nan 8.290 nan 0.000 0.522 164 G N -1.566 107.372 108.800 0.232 0.000 2.572 164 G HA2 0.360 4.320 3.960 -0.001 0.000 0.261 164 G HA3 0.360 4.320 3.960 -0.001 0.000 0.261 164 G C 0.986 176.061 174.900 0.293 0.000 1.197 164 G CA 0.199 45.446 45.100 0.245 0.000 0.870 164 G HN 0.351 nan 8.290 nan 0.000 0.548 165 W N 0.499 121.843 121.300 0.075 0.000 2.325 165 W HA -0.053 4.607 4.660 -0.001 0.000 0.299 165 W C 0.699 177.252 176.519 0.056 0.000 1.215 165 W CA 1.911 59.285 57.345 0.049 0.000 1.244 165 W CB 0.241 29.712 29.460 0.018 0.000 1.140 165 W HN 0.409 nan 8.180 nan 0.000 0.523 166 V N -2.769 117.266 119.914 0.203 0.000 3.105 166 V HA 0.497 4.617 4.120 -0.001 0.000 0.311 166 V C -0.450 175.735 176.094 0.151 0.000 1.287 166 V CA -1.278 61.089 62.300 0.112 0.000 1.066 166 V CB 1.731 33.639 31.823 0.142 0.000 1.105 166 V HN -0.058 nan 8.190 nan 0.000 0.462 167 M N 3.928 123.645 119.600 0.196 0.000 2.103 167 M HA 0.509 4.988 4.480 -0.001 0.000 0.350 167 M C -2.697 173.764 176.300 0.269 0.000 1.100 167 M CA -1.900 53.534 55.300 0.223 0.000 1.042 167 M CB 1.370 34.128 32.600 0.264 0.000 1.368 167 M HN 0.639 nan 8.290 nan 0.000 0.404 168 P HA 0.124 nan 4.420 nan 0.000 0.274 168 P C -0.927 176.382 177.300 0.014 0.000 1.231 168 P CA -0.193 62.958 63.100 0.085 0.000 0.790 168 P CB 0.567 32.305 31.700 0.062 0.000 0.951 169 D N 0.744 121.110 120.400 -0.057 0.000 2.478 169 D HA -0.090 4.550 4.640 -0.001 0.000 0.234 169 D C 0.731 177.037 176.300 0.010 0.000 1.154 169 D CA 0.742 54.688 54.000 -0.091 0.000 0.874 169 D CB 0.447 41.202 40.800 -0.075 0.000 1.198 169 D HN 0.314 nan 8.370 nan 0.000 0.455 170 E N 1.444 121.693 120.200 0.082 0.000 2.511 170 E HA 0.181 4.530 4.350 -0.001 0.000 0.209 170 E C 0.930 177.700 176.600 0.282 0.000 0.986 170 E CA 0.069 56.587 56.400 0.196 0.000 0.974 170 E CB 0.643 30.478 29.700 0.225 0.000 1.030 170 E HN 0.474 nan 8.360 nan 0.000 0.490 171 A N 1.526 124.458 122.820 0.186 0.000 1.887 171 A HA 0.015 4.335 4.320 -0.001 0.000 0.210 171 A C 1.831 179.293 177.584 -0.203 0.000 1.221 171 A CA 0.609 52.522 52.037 -0.207 0.000 0.635 171 A CB 0.016 18.867 19.000 -0.248 0.000 0.881 171 A HN 0.031 nan 8.150 nan 0.000 0.456 172 N N 0.659 119.328 118.700 -0.053 0.000 2.392 172 N HA 0.009 4.749 4.740 -0.001 0.000 0.177 172 N C 0.432 175.926 175.510 -0.026 0.000 1.066 172 N CA 0.756 53.773 53.050 -0.054 0.000 0.895 172 N CB 0.048 38.546 38.487 0.018 0.000 0.988 172 N HN 0.499 nan 8.380 nan 0.000 0.457 173 S N 0.773 116.469 115.700 -0.007 0.000 2.564 173 S HA 0.038 4.507 4.470 -0.001 0.000 0.278 173 S C 0.032 174.645 174.600 0.021 0.000 1.333 173 S CA -0.564 57.645 58.200 0.015 0.000 1.048 173 S CB 1.139 64.352 63.200 0.020 0.000 0.900 173 S HN 0.203 nan 8.310 nan 0.000 0.505 174 H N 3.358 122.407 119.070 -0.035 0.000 2.582 174 H HA 0.038 4.593 4.556 -0.001 0.000 0.345 174 H C 1.261 176.565 175.328 -0.040 0.000 1.104 174 H CA -0.221 55.794 56.048 -0.055 0.000 1.390 174 H CB 0.526 30.207 29.762 -0.135 0.000 1.461 174 H HN 1.030 nan 8.280 nan 0.000 0.551 175 W N 5.798 127.015 121.300 -0.138 0.000 2.331 175 W HA -0.181 4.478 4.660 -0.001 0.000 0.291 175 W C 1.094 177.685 176.519 0.119 0.000 1.214 175 W CA 0.452 57.786 57.345 -0.019 0.000 1.228 175 W CB -0.482 28.907 29.460 -0.119 0.000 1.135 175 W HN 0.535 nan 8.180 nan 0.000 0.537 176 R N 0.776 120.911 120.500 -0.609 0.000 2.096 176 R HA -0.134 4.206 4.340 -0.001 0.000 0.235 176 R C 2.003 178.145 176.300 -0.264 0.000 1.127 176 R CA 1.895 57.536 56.100 -0.765 0.000 0.968 176 R CB -0.413 29.374 30.300 -0.856 0.000 0.861 176 R HN 0.150 nan 8.270 nan 0.000 0.440 177 N N -0.227 118.400 118.700 -0.121 0.000 2.376 177 N HA -0.051 4.688 4.740 -0.001 0.000 0.177 177 N C 1.710 177.225 175.510 0.008 0.000 1.024 177 N CA 0.667 53.687 53.050 -0.051 0.000 0.893 177 N CB 0.022 38.497 38.487 -0.020 0.000 0.980 177 N HN -0.004 nan 8.380 nan 0.000 0.439 178 V N 1.433 121.376 119.914 0.047 0.000 2.295 178 V HA -0.174 3.946 4.120 -0.001 0.000 0.246 178 V C 2.330 178.470 176.094 0.077 0.000 1.049 178 V CA 1.090 63.435 62.300 0.076 0.000 1.024 178 V CB -0.495 31.393 31.823 0.107 0.000 0.648 178 V HN 0.194 nan 8.190 nan 0.000 0.447 179 L N -0.301 120.978 121.223 0.094 0.000 2.046 179 L HA -0.112 4.227 4.340 -0.001 0.000 0.208 179 L C 2.173 179.058 176.870 0.024 0.000 1.077 179 L CA 1.785 56.674 54.840 0.081 0.000 0.747 179 L CB -0.690 41.453 42.059 0.140 0.000 0.896 179 L HN 0.278 nan 8.230 nan 0.000 0.432 180 L N -0.067 121.149 121.223 -0.012 0.000 2.012 180 L HA -0.258 4.081 4.340 -0.001 0.000 0.210 180 L C 2.600 179.461 176.870 -0.015 0.000 1.073 180 L CA 2.381 57.201 54.840 -0.033 0.000 0.748 180 L CB -0.773 41.248 42.059 -0.065 0.000 0.891 180 L HN 0.682 nan 8.230 nan 0.000 0.431 181 Q N -1.060 118.753 119.800 0.022 0.000 2.172 181 Q HA -0.189 4.151 4.340 -0.001 0.000 0.200 181 Q C 2.027 178.109 176.000 0.137 0.000 0.964 181 Q CA 1.983 57.833 55.803 0.078 0.000 0.855 181 Q CB -1.159 27.662 28.738 0.139 0.000 0.918 181 Q HN 0.461 nan 8.270 nan 0.000 0.444 182 L N 0.909 122.199 121.223 0.112 0.000 2.017 182 L HA -0.114 4.225 4.340 -0.001 0.000 0.208 182 L C 1.941 178.891 176.870 0.134 0.000 1.073 182 L CA 2.491 57.410 54.840 0.133 0.000 0.745 182 L CB -1.027 41.089 42.059 0.095 0.000 0.894 182 L HN 0.344 nan 8.230 nan 0.000 0.432 183 T N -1.022 113.580 114.554 0.080 0.000 2.788 183 T HA -0.182 4.167 4.350 -0.001 0.000 0.268 183 T C 1.720 176.471 174.700 0.084 0.000 1.044 183 T CA 1.413 63.553 62.100 0.067 0.000 1.139 183 T CB -0.166 68.716 68.868 0.022 0.000 0.867 183 T HN 0.338 nan 8.240 nan 0.000 0.454 184 E N 1.019 121.242 120.200 0.039 0.000 2.051 184 E HA -0.042 4.308 4.350 -0.001 0.000 0.192 184 E C 2.365 179.079 176.600 0.191 0.000 0.991 184 E CA 1.552 57.929 56.400 -0.039 0.000 0.799 184 E CB -0.877 28.614 29.700 -0.348 0.000 0.748 184 E HN 0.439 nan 8.360 nan 0.000 0.449 185 G N -0.077 108.936 108.800 0.354 0.000 2.402 185 G HA2 -0.270 3.689 3.960 -0.001 0.000 0.216 185 G HA3 -0.270 3.689 3.960 -0.001 0.000 0.216 185 G C 1.502 176.614 174.900 0.353 0.000 1.162 185 G CA 0.720 46.109 45.100 0.481 0.000 0.777 185 G HN 0.268 nan 8.290 nan 0.000 0.539 186 Q N -0.217 119.730 119.800 0.245 0.000 2.172 186 Q HA -0.056 4.284 4.340 -0.001 0.000 0.200 186 Q C 2.807 178.902 176.000 0.157 0.000 0.964 186 Q CA 1.425 57.334 55.803 0.177 0.000 0.855 186 Q CB -0.199 28.627 28.738 0.147 0.000 0.918 186 Q HN 0.414 nan 8.270 nan 0.000 0.444 187 T N 0.162 114.818 114.554 0.170 0.000 2.821 187 T HA -0.183 4.166 4.350 -0.001 0.000 0.267 187 T C 1.082 175.876 174.700 0.155 0.000 1.046 187 T CA 1.046 63.222 62.100 0.127 0.000 1.139 187 T CB -0.354 68.583 68.868 0.114 0.000 0.871 187 T HN 0.471 nan 8.240 nan 0.000 0.454 188 W N 1.582 122.966 121.300 0.140 0.000 2.355 188 W HA -0.034 4.626 4.660 -0.001 0.000 0.309 188 W C 1.787 178.416 176.519 0.183 0.000 1.206 188 W CA 0.892 58.393 57.345 0.259 0.000 1.284 188 W CB -0.426 29.246 29.460 0.353 0.000 1.145 188 W HN 0.138 nan 8.180 nan 0.000 0.502 189 L N 0.643 122.074 121.223 0.347 0.000 2.046 189 L HA -0.248 4.091 4.340 -0.001 0.000 0.208 189 L C 2.611 179.414 176.870 -0.111 0.000 1.077 189 L CA 1.875 56.750 54.840 0.059 0.000 0.747 189 L CB -0.936 41.098 42.059 -0.043 0.000 0.896 189 L HN -0.006 nan 8.230 nan 0.000 0.432 190 K N 0.037 120.391 120.400 -0.077 0.000 2.057 190 K HA -0.262 4.057 4.320 -0.001 0.000 0.207 190 K C 2.193 178.657 176.600 -0.228 0.000 1.049 190 K CA 1.616 57.834 56.287 -0.116 0.000 0.931 190 K CB -0.037 32.420 32.500 -0.071 0.000 0.714 190 K HN 0.257 nan 8.250 nan 0.000 0.440 191 Q N -0.792 118.797 119.800 -0.351 0.000 2.046 191 Q HA -0.151 4.189 4.340 -0.001 0.000 0.200 191 Q C 1.507 177.020 176.000 -0.812 0.000 0.975 191 Q CA 1.773 57.202 55.803 -0.624 0.000 0.836 191 Q CB 0.026 28.248 28.738 -0.860 0.000 0.896 191 Q HN 0.316 nan 8.270 nan 0.000 0.428 192 F N -1.380 118.194 119.950 -0.627 0.000 2.505 192 F HA 0.113 4.639 4.527 -0.001 0.000 0.289 192 F C 1.649 177.167 175.800 -0.471 0.000 1.101 192 F CA 0.284 57.858 58.000 -0.709 0.000 1.446 192 F CB 0.382 38.519 39.000 -1.438 0.000 1.123 192 F HN 0.107 nan 8.300 nan 0.000 0.564 193 M N -0.972 118.489 119.600 -0.231 0.000 2.308 193 M HA 0.228 4.707 4.480 -0.001 0.000 0.269 193 M C 0.312 176.599 176.300 -0.021 0.000 1.040 193 M CA 0.133 55.402 55.300 -0.051 0.000 1.024 193 M CB -1.143 31.463 32.600 0.009 0.000 1.465 193 M HN 0.097 nan 8.290 nan 0.000 0.517 194 N N 1.912 120.562 118.700 -0.083 0.000 2.727 194 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 194 N C -0.952 174.544 175.510 -0.023 0.000 1.048 194 N CA 0.763 53.778 53.050 -0.057 0.000 0.714 194 N CB -0.923 37.543 38.487 -0.036 0.000 0.959 194 N HN 0.377 nan 8.380 nan 0.000 0.544 195 V N -4.040 115.862 119.914 -0.019 0.000 3.049 195 V HA 0.875 4.995 4.120 -0.001 0.000 0.309 195 V C -0.001 176.083 176.094 -0.017 0.000 1.148 195 V CA -0.473 61.830 62.300 0.005 0.000 0.990 195 V CB 2.355 34.227 31.823 0.081 0.000 1.039 195 V HN 0.049 nan 8.190 nan 0.000 0.430 196 T N 3.815 118.348 114.554 -0.035 0.000 2.930 196 T HA 0.576 4.926 4.350 -0.001 0.000 0.313 196 T C -2.761 171.859 174.700 -0.134 0.000 1.019 196 T CA -0.770 61.289 62.100 -0.068 0.000 1.004 196 T CB 1.365 70.183 68.868 -0.083 0.000 0.987 196 T HN 0.771 nan 8.240 nan 0.000 0.456 197 P HA 0.168 nan 4.420 nan 0.000 0.266 197 P C 0.849 177.761 177.300 -0.647 0.000 1.195 197 P CA -0.154 62.826 63.100 -0.201 0.000 0.768 197 P CB 0.527 32.223 31.700 -0.006 0.000 0.838 198 T N -1.734 112.496 114.554 -0.540 0.000 3.040 198 T HA 0.539 4.888 4.350 -0.001 0.000 0.266 198 T C 0.348 174.857 174.700 -0.318 0.000 1.005 198 T CA -0.273 61.394 62.100 -0.723 0.000 0.906 198 T CB 0.142 68.796 68.868 -0.357 0.000 1.082 198 T HN 0.415 nan 8.240 nan 0.000 0.531 199 A N 0.848 123.636 122.820 -0.054 0.000 2.355 199 A HA 0.803 5.123 4.320 -0.001 0.000 0.317 199 A C -0.176 177.671 177.584 0.438 0.000 1.094 199 A CA -0.702 51.459 52.037 0.206 0.000 0.764 199 A CB 1.831 20.965 19.000 0.223 0.000 1.230 199 A HN 0.258 nan 8.150 nan 0.000 0.448 200 S N 2.044 117.997 115.700 0.422 0.000 2.549 200 S HA 0.687 5.156 4.470 -0.001 0.000 0.297 200 S C -1.162 173.631 174.600 0.321 0.000 1.115 200 S CA -0.433 57.959 58.200 0.320 0.000 1.059 200 S CB 0.783 64.000 63.200 0.029 0.000 1.046 200 S HN 0.810 nan 8.310 nan 0.000 0.506 201 W N 4.468 125.787 121.300 0.031 0.000 2.587 201 W HA 0.635 5.294 4.660 -0.001 0.000 0.324 201 W C -1.538 174.933 176.519 -0.080 0.000 1.008 201 W CA -0.828 56.488 57.345 -0.049 0.000 1.265 201 W CB 1.178 30.582 29.460 -0.093 0.000 1.328 201 W HN 0.787 nan 8.180 nan 0.000 0.432 202 A N 7.927 130.593 122.820 -0.257 0.000 2.763 202 A HA 0.298 4.618 4.320 -0.001 0.000 0.325 202 A C 0.243 177.576 177.584 -0.418 0.000 1.209 202 A CA -0.480 51.414 52.037 -0.239 0.000 0.764 202 A CB -0.284 18.700 19.000 -0.028 0.000 1.120 202 A HN 0.706 nan 8.150 nan 0.000 0.463 203 I N -2.570 117.572 120.570 -0.713 0.000 3.603 203 I HA 0.283 4.452 4.170 -0.001 0.000 0.297 203 I C 0.811 176.600 176.117 -0.546 0.000 1.269 203 I CA 0.849 61.688 61.300 -0.768 0.000 1.361 203 I CB 0.418 37.698 38.000 -1.200 0.000 1.063 203 I HN 0.341 nan 8.210 nan 0.000 0.448 204 D N 0.376 120.412 120.400 -0.608 0.000 2.489 204 D HA 0.249 4.889 4.640 -0.001 0.000 0.231 204 D C -2.202 173.696 176.300 -0.670 0.000 1.114 204 D CA -0.715 52.932 54.000 -0.588 0.000 0.842 204 D CB 0.136 40.508 40.800 -0.713 0.000 1.133 204 D HN 0.190 nan 8.370 nan 0.000 0.506 205 P HA 0.078 nan 4.420 nan 0.000 0.269 205 P C -0.540 176.325 177.300 -0.726 0.000 1.215 205 P CA -0.046 62.545 63.100 -0.848 0.000 0.780 205 P CB 0.226 31.581 31.700 -0.575 0.000 0.898 206 F N 1.708 121.407 119.950 -0.419 0.000 2.541 206 F HA 0.553 5.080 4.527 -0.001 0.000 0.351 206 F C 1.397 177.097 175.800 -0.166 0.000 1.209 206 F CA -0.720 56.973 58.000 -0.512 0.000 1.277 206 F CB -1.110 37.709 39.000 -0.302 0.000 1.632 206 F HN 0.509 nan 8.300 nan 0.000 0.619 207 G N 1.163 109.684 108.800 -0.464 0.000 2.662 207 G HA2 -0.069 3.891 3.960 -0.001 0.000 0.686 207 G HA3 -0.069 3.891 3.960 -0.001 0.000 0.686 207 G C -1.495 173.046 174.900 -0.597 0.000 1.271 207 G CA -1.162 43.777 45.100 -0.269 0.000 0.816 207 G HN 0.597 nan 8.290 nan 0.000 0.608 208 H N -0.577 118.197 119.070 -0.494 0.000 2.717 208 H HA 0.749 5.305 4.556 -0.001 0.000 0.366 208 H C -0.364 174.842 175.328 -0.202 0.000 1.132 208 H CA 0.038 55.978 56.048 -0.180 0.000 1.180 208 H CB 2.045 31.851 29.762 0.073 0.000 1.678 208 H HN 0.681 nan 8.280 nan 0.000 0.537 209 S N 2.335 118.172 115.700 0.228 0.000 2.501 209 S HA 0.262 4.731 4.470 -0.001 0.000 0.301 209 S C -1.779 172.851 174.600 0.051 0.000 1.096 209 S CA -1.793 56.550 58.200 0.238 0.000 1.063 209 S CB 1.325 64.708 63.200 0.305 0.000 1.042 209 S HN 0.448 nan 8.310 nan 0.000 0.494 210 P HA 0.011 nan 4.420 nan 0.000 0.234 210 P C 1.096 178.143 177.300 -0.422 0.000 1.167 210 P CA 0.748 63.462 63.100 -0.644 0.000 0.763 210 P CB -0.256 31.217 31.700 -0.379 0.000 0.835 211 T N -0.145 114.296 114.554 -0.188 0.000 2.833 211 T HA -0.103 4.247 4.350 -0.001 0.000 0.269 211 T C 1.836 176.490 174.700 -0.077 0.000 1.054 211 T CA 1.222 63.254 62.100 -0.115 0.000 1.135 211 T CB -0.395 68.444 68.868 -0.048 0.000 0.869 211 T HN -0.004 nan 8.240 nan 0.000 0.466 212 M N 0.967 120.482 119.600 -0.141 0.000 2.059 212 M HA -0.008 4.472 4.480 -0.001 0.000 0.259 212 M C -0.601 175.563 176.300 -0.228 0.000 1.072 212 M CA 1.308 56.521 55.300 -0.146 0.000 1.117 212 M CB -2.563 29.978 32.600 -0.098 0.000 1.320 212 M HN 0.133 nan 8.290 nan 0.000 0.408 213 P HA -0.201 nan 4.420 nan 0.000 0.218 213 P C 1.680 178.854 177.300 -0.209 0.000 1.148 213 P CA 1.445 64.353 63.100 -0.321 0.000 0.822 213 P CB -0.442 30.972 31.700 -0.477 0.000 0.784 214 Y N 1.102 121.216 120.300 -0.311 0.000 2.097 214 Y HA -0.212 4.337 4.550 -0.001 0.000 0.282 214 Y C 2.423 178.238 175.900 -0.141 0.000 1.152 214 Y CA 1.718 59.697 58.100 -0.201 0.000 1.136 214 Y CB -0.991 37.365 38.460 -0.172 0.000 0.975 214 Y HN -0.234 nan 8.280 nan 0.000 0.498 215 I N -0.442 120.144 120.570 0.027 0.000 2.202 215 I HA -0.315 3.855 4.170 -0.001 0.000 0.242 215 I C 2.313 178.356 176.117 -0.123 0.000 1.091 215 I CA 1.228 62.509 61.300 -0.031 0.000 1.368 215 I CB -0.454 37.590 38.000 0.074 0.000 1.058 215 I HN 0.261 nan 8.210 nan 0.000 0.410 216 L N 0.127 121.227 121.223 -0.204 0.000 2.046 216 L HA -0.237 4.102 4.340 -0.001 0.000 0.208 216 L C 2.703 179.550 176.870 -0.038 0.000 1.077 216 L CA 1.272 55.923 54.840 -0.315 0.000 0.747 216 L CB -0.717 40.963 42.059 -0.631 0.000 0.896 216 L HN 0.359 nan 8.230 nan 0.000 0.432 217 Q N 1.052 120.798 119.800 -0.090 0.000 2.224 217 Q HA -0.192 4.147 4.340 -0.001 0.000 0.203 217 Q C 1.685 177.643 176.000 -0.070 0.000 0.970 217 Q CA 1.468 57.240 55.803 -0.052 0.000 0.865 217 Q CB 0.123 28.801 28.738 -0.099 0.000 0.922 217 Q HN 0.467 nan 8.270 nan 0.000 0.445 218 K N -0.471 119.846 120.400 -0.138 0.000 2.444 218 K HA 0.109 4.429 4.320 -0.001 0.000 0.193 218 K C 0.608 177.170 176.600 -0.064 0.000 1.024 218 K CA 0.128 56.328 56.287 -0.145 0.000 1.077 218 K CB 0.521 32.861 32.500 -0.265 0.000 0.833 218 K HN -0.072 nan 8.250 nan 0.000 0.517 219 S N -0.289 115.428 115.700 0.028 0.000 2.741 219 S HA 0.207 4.677 4.470 -0.001 0.000 0.247 219 S C 0.734 175.435 174.600 0.169 0.000 1.050 219 S CA 0.088 58.352 58.200 0.107 0.000 1.025 219 S CB 1.331 64.634 63.200 0.172 0.000 0.897 219 S HN 0.516 nan 8.310 nan 0.000 0.508 220 G N 1.218 110.070 108.800 0.086 0.000 2.176 220 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.253 220 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.253 220 G C -0.016 174.862 174.900 -0.036 0.000 0.979 220 G CA -0.420 44.676 45.100 -0.008 0.000 0.641 220 G HN 0.440 nan 8.290 nan 0.000 0.530 221 F N 0.740 120.650 119.950 -0.067 0.000 2.450 221 F HA 0.512 5.038 4.527 -0.001 0.000 0.339 221 F C 1.759 177.501 175.800 -0.097 0.000 1.146 221 F CA 0.325 58.281 58.000 -0.074 0.000 1.267 221 F CB 0.885 39.844 39.000 -0.067 0.000 1.178 221 F HN -0.107 nan 8.300 nan 0.000 0.585 222 K N 0.759 121.175 120.400 0.027 0.000 2.425 222 K HA 0.226 4.545 4.320 -0.001 0.000 0.201 222 K C -0.328 176.213 176.600 -0.098 0.000 1.128 222 K CA 0.147 56.394 56.287 -0.067 0.000 1.000 222 K CB 0.496 32.909 32.500 -0.145 0.000 0.961 222 K HN 0.531 nan 8.250 nan 0.000 0.555 223 N N 0.958 119.581 118.700 -0.128 0.000 2.484 223 N HA 0.371 5.110 4.740 -0.001 0.000 0.269 223 N C -1.139 174.216 175.510 -0.258 0.000 1.237 223 N CA -0.438 52.367 53.050 -0.408 0.000 0.838 223 N CB 2.370 40.055 38.487 -1.336 0.000 1.593 223 N HN -0.050 nan 8.380 nan 0.000 0.485 224 M N -0.365 119.098 119.600 -0.229 0.000 2.569 224 M HA 0.629 5.108 4.480 -0.001 0.000 0.279 224 M C -1.965 174.396 176.300 0.103 0.000 1.253 224 M CA -0.954 54.337 55.300 -0.014 0.000 0.867 224 M CB 2.902 35.484 32.600 -0.030 0.000 1.727 224 M HN 0.464 nan 8.290 nan 0.000 0.467 225 L N 3.724 125.026 121.223 0.133 0.000 2.386 225 L HA 0.872 5.212 4.340 -0.001 0.000 0.271 225 L C -1.444 175.308 176.870 -0.197 0.000 0.993 225 L CA -0.732 54.146 54.840 0.063 0.000 0.819 225 L CB 1.965 44.109 42.059 0.141 0.000 1.294 225 L HN 0.945 nan 8.230 nan 0.000 0.414 226 I N 0.955 121.319 120.570 -0.343 0.000 3.042 226 I HA 0.622 4.792 4.170 -0.001 0.000 0.310 226 I C -0.677 175.144 176.117 -0.492 0.000 1.117 226 I CA -0.574 60.334 61.300 -0.652 0.000 1.003 226 I CB 2.236 39.560 38.000 -1.127 0.000 1.228 226 I HN 0.730 nan 8.210 nan 0.000 0.443 227 Q N 1.975 121.547 119.800 -0.380 0.000 2.546 227 Q HA 0.334 4.673 4.340 -0.001 0.000 0.226 227 Q C 0.013 175.918 176.000 -0.159 0.000 0.769 227 Q CA 0.447 56.108 55.803 -0.237 0.000 0.954 227 Q CB 0.623 29.211 28.738 -0.249 0.000 1.319 227 Q HN 0.657 nan 8.270 nan 0.000 0.534 228 R N 2.019 122.443 120.500 -0.128 0.000 2.608 228 R HA 0.348 4.687 4.340 -0.001 0.000 0.277 228 R C -0.689 175.375 176.300 -0.393 0.000 1.341 228 R CA 0.530 56.311 56.100 -0.532 0.000 1.199 228 R CB 0.272 29.886 30.300 -1.144 0.000 1.156 228 R HN 0.383 nan 8.270 nan 0.000 0.558 229 T N -2.371 112.180 114.554 -0.006 0.000 2.908 229 T HA 0.135 4.484 4.350 -0.001 0.000 0.290 229 T C 0.005 174.973 174.700 0.447 0.000 1.034 229 T CA -0.892 61.328 62.100 0.199 0.000 1.010 229 T CB 1.764 70.585 68.868 -0.078 0.000 1.068 229 T HN 0.429 nan 8.240 nan 0.000 0.481 230 H N 2.059 121.348 119.070 0.365 0.000 3.115 230 H HA -0.055 4.501 4.556 -0.001 0.000 0.324 230 H C 1.086 176.468 175.328 0.090 0.000 1.007 230 H CA 0.580 56.729 56.048 0.168 0.000 1.385 230 H CB 0.331 30.218 29.762 0.209 0.000 1.351 230 H HN 0.934 nan 8.280 nan 0.000 0.592 231 Y N 2.376 122.774 120.300 0.163 0.000 2.241 231 Y HA -0.189 4.360 4.550 -0.001 0.000 0.286 231 Y C 2.177 178.245 175.900 0.281 0.000 1.166 231 Y CA 1.038 59.268 58.100 0.216 0.000 1.203 231 Y CB -0.662 37.861 38.460 0.105 0.000 0.977 231 Y HN 0.293 nan 8.280 nan 0.000 0.529 232 S N 0.271 116.007 115.700 0.059 0.000 2.406 232 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 232 S C 2.082 176.603 174.600 -0.132 0.000 1.020 232 S CA 1.085 59.217 58.200 -0.113 0.000 0.965 232 S CB -0.518 62.398 63.200 -0.474 0.000 0.798 232 S HN 0.371 nan 8.310 nan 0.000 0.488 233 V N 2.018 121.913 119.914 -0.032 0.000 2.358 233 V HA -0.181 3.939 4.120 -0.001 0.000 0.246 233 V C 2.241 178.375 176.094 0.066 0.000 1.047 233 V CA 1.613 63.929 62.300 0.026 0.000 1.035 233 V CB -0.520 31.421 31.823 0.195 0.000 0.658 233 V HN 0.408 nan 8.190 nan 0.000 0.452 234 K N 0.127 120.609 120.400 0.137 0.000 2.063 234 K HA -0.256 4.064 4.320 -0.001 0.000 0.208 234 K C 2.274 179.011 176.600 0.228 0.000 1.048 234 K CA 1.874 58.261 56.287 0.166 0.000 0.928 234 K CB -0.248 32.408 32.500 0.260 0.000 0.713 234 K HN 0.361 nan 8.250 nan 0.000 0.442 235 K N 1.160 121.695 120.400 0.223 0.000 2.026 235 K HA -0.237 4.083 4.320 -0.001 0.000 0.208 235 K C 2.141 178.838 176.600 0.162 0.000 1.048 235 K CA 1.785 58.212 56.287 0.232 0.000 0.929 235 K CB 0.035 32.599 32.500 0.106 0.000 0.713 235 K HN -0.014 nan 8.250 nan 0.000 0.439 236 E N 0.807 121.022 120.200 0.025 0.000 2.051 236 E HA -0.142 4.207 4.350 -0.001 0.000 0.192 236 E C 1.936 178.530 176.600 -0.010 0.000 0.991 236 E CA 1.375 57.747 56.400 -0.046 0.000 0.799 236 E CB -0.156 29.467 29.700 -0.127 0.000 0.748 236 E HN 0.349 nan 8.360 nan 0.000 0.449 237 L N -0.180 121.048 121.223 0.009 0.000 2.093 237 L HA -0.055 4.284 4.340 -0.001 0.000 0.208 237 L C 2.528 179.419 176.870 0.036 0.000 1.085 237 L CA 0.900 55.739 54.840 -0.002 0.000 0.755 237 L CB -0.606 41.437 42.059 -0.028 0.000 0.904 237 L HN 0.212 nan 8.230 nan 0.000 0.435 238 A N -0.168 122.726 122.820 0.124 0.000 1.908 238 A HA -0.264 4.056 4.320 -0.001 0.000 0.218 238 A C 2.217 179.987 177.584 0.310 0.000 1.181 238 A CA 1.596 53.765 52.037 0.220 0.000 0.627 238 A CB -0.500 18.787 19.000 0.478 0.000 0.818 238 A HN 0.464 nan 8.150 nan 0.000 0.445 239 Q N -1.030 118.904 119.800 0.223 0.000 2.181 239 Q HA -0.160 4.179 4.340 -0.001 0.000 0.205 239 Q C 1.354 177.345 176.000 -0.015 0.000 0.980 239 Q CA 1.319 57.098 55.803 -0.040 0.000 0.862 239 Q CB -0.031 28.554 28.738 -0.256 0.000 0.905 239 Q HN 0.601 nan 8.270 nan 0.000 0.429 240 Q N -0.257 119.547 119.800 0.006 0.000 2.247 240 Q HA 0.142 4.482 4.340 -0.001 0.000 0.204 240 Q C -0.428 175.589 176.000 0.027 0.000 0.872 240 Q CA -0.025 55.778 55.803 -0.000 0.000 0.951 240 Q CB 0.691 29.418 28.738 -0.018 0.000 1.099 240 Q HN 0.281 nan 8.270 nan 0.000 0.501 241 R N 0.819 121.341 120.500 0.037 0.000 3.322 241 R HA -0.214 4.125 4.340 -0.001 0.000 0.253 241 R C -0.127 176.205 176.300 0.053 0.000 0.987 241 R CA 0.483 56.596 56.100 0.021 0.000 0.666 241 R CB -1.914 28.424 30.300 0.063 0.000 1.072 241 R HN 0.388 nan 8.270 nan 0.000 0.447 242 Q N 0.051 119.871 119.800 0.034 0.000 2.186 242 Q HA 0.196 4.536 4.340 -0.001 0.000 0.241 242 Q C 1.208 177.286 176.000 0.131 0.000 0.849 242 Q CA -0.227 55.630 55.803 0.090 0.000 1.053 242 Q CB 0.533 29.289 28.738 0.029 0.000 1.146 242 Q HN 0.439 nan 8.270 nan 0.000 0.475 243 L N 0.052 121.286 121.223 0.019 0.000 2.418 243 L HA 0.049 4.389 4.340 -0.001 0.000 0.218 243 L C 0.317 177.177 176.870 -0.016 0.000 1.125 243 L CA 0.911 55.736 54.840 -0.026 0.000 0.835 243 L CB 0.332 42.186 42.059 -0.342 0.000 0.953 243 L HN 0.184 nan 8.230 nan 0.000 0.454 244 E N 0.219 120.453 120.200 0.056 0.000 2.158 244 E HA 0.521 4.870 4.350 -0.001 0.000 0.271 244 E C -1.218 175.305 176.600 -0.128 0.000 0.911 244 E CA -0.538 55.702 56.400 -0.267 0.000 0.767 244 E CB 1.507 31.174 29.700 -0.055 0.000 1.120 244 E HN 0.004 nan 8.360 nan 0.000 0.405 245 F N -0.312 119.383 119.950 -0.425 0.000 2.693 245 F HA 0.453 4.979 4.527 -0.001 0.000 0.309 245 F C -1.567 174.125 175.800 -0.181 0.000 1.129 245 F CA -1.377 56.521 58.000 -0.171 0.000 0.948 245 F CB 0.756 39.686 39.000 -0.117 0.000 1.315 245 F HN 0.164 nan 8.300 nan 0.000 0.447 246 L N 2.710 124.094 121.223 0.269 0.000 2.282 246 L HA 0.167 4.506 4.340 -0.001 0.000 0.287 246 L C -1.066 176.034 176.870 0.383 0.000 1.075 246 L CA -0.204 54.790 54.840 0.256 0.000 0.839 246 L CB 0.431 42.641 42.059 0.252 0.000 1.219 246 L HN 0.594 nan 8.230 nan 0.000 0.434 247 W N 6.832 128.242 121.300 0.183 0.000 2.416 247 W HA 0.325 4.985 4.660 -0.001 0.000 0.318 247 W C 0.263 176.810 176.519 0.046 0.000 1.150 247 W CA -1.300 56.170 57.345 0.208 0.000 1.392 247 W CB 0.401 30.029 29.460 0.280 0.000 1.311 247 W HN 0.500 nan 8.180 nan 0.000 0.436 248 R N 3.772 124.443 120.500 0.285 0.000 2.758 248 R HA 0.536 4.875 4.340 -0.001 0.000 0.265 248 R C -0.063 176.140 176.300 -0.162 0.000 1.016 248 R CA -0.911 55.184 56.100 -0.008 0.000 1.040 248 R CB 1.102 31.382 30.300 -0.033 0.000 1.152 248 R HN 0.240 nan 8.270 nan 0.000 0.503 249 Q N 1.415 120.967 119.800 -0.414 0.000 2.421 249 Q HA 0.053 4.393 4.340 -0.001 0.000 0.255 249 Q C 1.465 177.065 176.000 -0.668 0.000 1.013 249 Q CA 0.106 55.460 55.803 -0.749 0.000 0.895 249 Q CB 0.816 28.645 28.738 -1.515 0.000 1.271 249 Q HN 0.852 nan 8.270 nan 0.000 0.460 250 I N -2.082 118.197 120.570 -0.484 0.000 2.567 250 I HA -0.151 4.019 4.170 -0.001 0.000 0.257 250 I C 1.314 177.369 176.117 -0.103 0.000 1.184 250 I CA 1.266 62.453 61.300 -0.188 0.000 1.451 250 I CB -0.357 37.630 38.000 -0.020 0.000 1.089 250 I HN 0.675 nan 8.210 nan 0.000 0.441 251 W N 1.374 122.734 121.300 0.099 0.000 3.278 251 W HA 0.357 5.017 4.660 -0.001 0.000 0.308 251 W C 0.241 176.837 176.519 0.128 0.000 1.253 251 W CA -0.645 56.820 57.345 0.200 0.000 1.759 251 W CB -0.684 28.988 29.460 0.352 0.000 1.093 251 W HN -0.055 nan 8.180 nan 0.000 0.648 252 D N 1.870 122.030 120.400 -0.399 0.000 2.422 252 D HA -0.021 4.618 4.640 -0.001 0.000 0.227 252 D C 1.025 177.302 176.300 -0.038 0.000 1.190 252 D CA 0.144 54.028 54.000 -0.193 0.000 0.905 252 D CB 0.307 40.892 40.800 -0.358 0.000 1.034 252 D HN 0.080 nan 8.370 nan 0.000 0.507 253 N N 3.775 122.513 118.700 0.064 0.000 2.188 253 N HA -0.143 4.597 4.740 -0.001 0.000 0.184 253 N C 1.423 176.954 175.510 0.034 0.000 1.018 253 N CA 1.193 54.273 53.050 0.050 0.000 0.858 253 N CB 0.147 38.684 38.487 0.084 0.000 0.989 253 N HN 0.339 nan 8.380 nan 0.000 0.426 254 K N -1.382 119.043 120.400 0.043 0.000 2.186 254 K HA 0.090 4.409 4.320 -0.001 0.000 0.202 254 K C 0.558 177.173 176.600 0.025 0.000 1.052 254 K CA 0.908 57.216 56.287 0.036 0.000 0.965 254 K CB 0.079 32.604 32.500 0.043 0.000 0.746 254 K HN 0.286 nan 8.250 nan 0.000 0.457 255 G N 1.058 109.865 108.800 0.012 0.000 2.148 255 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.203 255 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.203 255 G C 0.133 175.037 174.900 0.006 0.000 0.993 255 G CA 0.354 45.458 45.100 0.007 0.000 0.661 255 G HN 0.367 nan 8.290 nan 0.000 0.518 256 D N 0.665 121.070 120.400 0.009 0.000 2.310 256 D HA -0.042 4.597 4.640 -0.001 0.000 0.212 256 D C 2.541 178.831 176.300 -0.017 0.000 0.965 256 D CA 1.729 55.732 54.000 0.004 0.000 0.879 256 D CB -0.251 40.559 40.800 0.015 0.000 0.921 256 D HN 0.687 nan 8.370 nan 0.000 0.510 257 T N -2.042 112.492 114.554 -0.034 0.000 3.100 257 T HA 0.309 4.659 4.350 -0.001 0.000 0.253 257 T C 0.971 175.633 174.700 -0.064 0.000 1.118 257 T CA -0.092 61.967 62.100 -0.069 0.000 1.058 257 T CB 0.013 68.823 68.868 -0.097 0.000 0.953 257 T HN 0.068 nan 8.240 nan 0.000 0.515 258 A N 1.410 124.218 122.820 -0.019 0.000 2.511 258 A HA 0.556 4.876 4.320 -0.001 0.000 0.242 258 A C -0.281 177.324 177.584 0.035 0.000 1.069 258 A CA -0.345 51.712 52.037 0.032 0.000 0.763 258 A CB -0.092 18.952 19.000 0.074 0.000 1.001 258 A HN 0.541 nan 8.150 nan 0.000 0.498 259 L N 2.695 123.959 121.223 0.068 0.000 2.409 259 L HA 0.550 4.889 4.340 -0.001 0.000 0.272 259 L C -0.642 176.288 176.870 0.101 0.000 0.980 259 L CA -0.567 54.309 54.840 0.059 0.000 0.826 259 L CB 1.414 43.472 42.059 -0.002 0.000 1.268 259 L HN 0.660 nan 8.230 nan 0.000 0.407 260 F N 3.865 123.779 119.950 -0.060 0.000 2.602 260 F HA 0.361 4.887 4.527 -0.001 0.000 0.385 260 F C 0.059 175.745 175.800 -0.191 0.000 1.063 260 F CA 0.828 58.758 58.000 -0.115 0.000 1.233 260 F CB 0.406 39.355 39.000 -0.085 0.000 1.067 260 F HN 0.561 nan 8.300 nan 0.000 0.564 261 T N 5.414 119.398 114.554 -0.950 0.000 2.848 261 T HA 0.203 4.552 4.350 -0.001 0.000 0.285 261 T C -1.599 172.463 174.700 -1.063 0.000 0.995 261 T CA -0.480 61.135 62.100 -0.809 0.000 0.970 261 T CB 0.900 69.282 68.868 -0.810 0.000 0.976 261 T HN 0.611 nan 8.240 nan 0.000 0.441 262 H N 2.825 121.585 119.070 -0.516 0.000 2.511 262 H HA 0.626 5.181 4.556 -0.001 0.000 0.328 262 H C -0.408 174.731 175.328 -0.315 0.000 1.044 262 H CA -0.754 55.107 56.048 -0.312 0.000 1.212 262 H CB 0.767 30.565 29.762 0.060 0.000 1.428 262 H HN 0.477 nan 8.280 nan 0.000 0.483 263 M N 6.918 126.196 119.600 -0.537 0.000 2.157 263 M HA 0.294 4.773 4.480 -0.001 0.000 0.354 263 M C -0.926 175.128 176.300 -0.410 0.000 1.170 263 M CA -0.592 54.465 55.300 -0.406 0.000 1.060 263 M CB 0.693 33.110 32.600 -0.305 0.000 1.615 263 M HN 0.671 nan 8.290 nan 0.000 0.460 264 M N 6.709 126.164 119.600 -0.240 0.000 2.243 264 M HA 0.194 4.674 4.480 -0.001 0.000 0.341 264 M C -1.618 174.550 176.300 -0.220 0.000 1.130 264 M CA -1.183 54.020 55.300 -0.162 0.000 1.162 264 M CB 0.423 32.944 32.600 -0.131 0.000 1.497 264 M HN 0.481 nan 8.290 nan 0.000 0.456 265 P HA 0.135 nan 4.420 nan 0.000 0.245 265 P C -0.360 176.760 177.300 -0.300 0.000 1.199 265 P CA 0.818 63.617 63.100 -0.502 0.000 0.807 265 P CB 0.406 31.497 31.700 -1.015 0.000 1.002 266 F N -1.781 118.171 119.950 0.002 0.000 2.611 266 F HA 0.301 4.828 4.527 -0.001 0.000 0.374 266 F C 2.004 177.885 175.800 0.135 0.000 1.110 266 F CA -1.435 56.602 58.000 0.061 0.000 1.090 266 F CB -0.881 38.091 39.000 -0.046 0.000 1.388 266 F HN -0.316 nan 8.300 nan 0.000 0.501 267 Y N 0.067 120.508 120.300 0.235 0.000 2.373 267 Y HA 0.126 4.675 4.550 -0.001 0.000 0.293 267 Y C 0.871 176.686 175.900 -0.142 0.000 1.129 267 Y CA 1.314 59.414 58.100 -0.000 0.000 1.226 267 Y CB 0.070 38.437 38.460 -0.155 0.000 1.000 267 Y HN 0.344 nan 8.280 nan 0.000 0.549 268 S N -1.684 113.832 115.700 -0.306 0.000 2.618 268 S HA 0.252 4.722 4.470 -0.001 0.000 0.277 268 S C -0.294 174.202 174.600 -0.174 0.000 1.138 268 S CA -0.392 57.522 58.200 -0.476 0.000 0.844 268 S CB 0.326 63.179 63.200 -0.577 0.000 1.127 268 S HN 0.300 nan 8.310 nan 0.000 0.474 269 Y N 0.900 121.147 120.300 -0.088 0.000 2.490 269 Y HA 0.283 4.832 4.550 -0.001 0.000 0.281 269 Y C 0.499 176.482 175.900 0.139 0.000 1.174 269 Y CA -0.462 57.620 58.100 -0.029 0.000 1.295 269 Y CB -1.023 37.332 38.460 -0.175 0.000 1.062 269 Y HN 0.558 nan 8.280 nan 0.000 0.522 270 D N 0.725 121.124 120.400 -0.002 0.000 2.384 270 D HA -0.035 4.604 4.640 -0.001 0.000 0.244 270 D C 1.246 177.677 176.300 0.219 0.000 1.251 270 D CA -0.358 53.743 54.000 0.167 0.000 0.961 270 D CB 0.788 41.648 40.800 0.100 0.000 1.116 270 D HN 0.256 nan 8.370 nan 0.000 0.484 271 I N -0.231 120.446 120.570 0.178 0.000 2.226 271 I HA -0.148 4.022 4.170 -0.001 0.000 0.245 271 I C -0.738 175.420 176.117 0.069 0.000 1.100 271 I CA 0.831 62.219 61.300 0.148 0.000 1.374 271 I CB -1.212 36.863 38.000 0.125 0.000 1.057 271 I HN 0.339 nan 8.210 nan 0.000 0.413 272 P HA -0.171 nan 4.420 nan 0.000 0.218 272 P C 0.629 177.639 177.300 -0.484 0.000 1.146 272 P CA 1.652 64.580 63.100 -0.288 0.000 0.813 272 P CB -0.126 31.400 31.700 -0.290 0.000 0.778 273 H N -3.037 116.031 119.070 -0.004 0.000 2.486 273 H HA 0.217 4.772 4.556 -0.001 0.000 0.284 273 H C 0.925 176.350 175.328 0.161 0.000 1.103 273 H CA 0.645 56.704 56.048 0.019 0.000 1.089 273 H CB -0.239 29.594 29.762 0.119 0.000 1.603 273 H HN 0.121 nan 8.280 nan 0.000 0.557 274 T N -4.244 110.427 114.554 0.194 0.000 2.986 274 T HA -0.021 4.328 4.350 -0.001 0.000 0.264 274 T C 1.803 176.624 174.700 0.202 0.000 0.964 274 T CA 0.353 62.591 62.100 0.231 0.000 0.895 274 T CB -0.695 68.300 68.868 0.213 0.000 1.163 274 T HN 0.508 nan 8.240 nan 0.000 0.517 275 c N 1.543 120.234 118.600 0.151 0.000 2.533 275 c HA 0.709 5.278 4.570 -0.001 0.000 0.272 275 c C 1.335 175.546 174.090 0.202 0.000 1.371 275 c CA 0.419 56.874 56.329 0.210 0.000 1.758 275 c CB -1.123 41.468 42.510 0.135 0.000 1.972 275 c HN 0.887 nan 8.230 nan 0.000 0.522 276 G N -0.337 108.514 108.800 0.085 0.000 2.324 276 G HA2 0.370 4.329 3.960 -0.001 0.000 0.293 276 G HA3 0.370 4.329 3.960 -0.001 0.000 0.293 276 G C -2.724 171.835 174.900 -0.568 0.000 1.297 276 G CA 0.218 45.307 45.100 -0.018 0.000 0.853 276 G HN -0.103 nan 8.290 nan 0.000 0.535 277 P HA 0.093 nan 4.420 nan 0.000 0.229 277 P C -0.102 176.787 177.300 -0.684 0.000 1.160 277 P CA 1.036 63.467 63.100 -1.115 0.000 0.777 277 P CB 0.368 31.737 31.700 -0.551 0.000 0.814 278 D N 0.889 121.004 120.400 -0.476 0.000 2.454 278 D HA 0.142 4.781 4.640 -0.001 0.000 0.225 278 D C -1.503 174.463 176.300 -0.556 0.000 1.081 278 D CA -2.600 51.159 54.000 -0.402 0.000 0.864 278 D CB 1.305 41.953 40.800 -0.253 0.000 1.040 278 D HN 0.001 nan 8.370 nan 0.000 0.517 279 P HA -0.129 nan 4.420 nan 0.000 0.223 279 P C 1.242 177.729 177.300 -1.354 0.000 1.151 279 P CA 0.611 62.980 63.100 -1.219 0.000 0.787 279 P CB 0.526 31.207 31.700 -1.697 0.000 0.788 280 K N 0.338 120.075 120.400 -1.105 0.000 2.097 280 K HA -0.078 4.242 4.320 -0.001 0.000 0.206 280 K C 1.805 178.223 176.600 -0.305 0.000 1.049 280 K CA 1.181 57.124 56.287 -0.573 0.000 0.933 280 K CB -0.250 32.099 32.500 -0.251 0.000 0.717 280 K HN -0.069 nan 8.250 nan 0.000 0.442 281 V N 0.380 120.125 119.914 -0.282 0.000 2.302 281 V HA -0.243 3.877 4.120 -0.001 0.000 0.243 281 V C 2.418 178.485 176.094 -0.044 0.000 1.036 281 V CA 1.447 63.676 62.300 -0.119 0.000 1.020 281 V CB -0.350 31.418 31.823 -0.091 0.000 0.657 281 V HN 0.478 nan 8.190 nan 0.000 0.453 282 c N -0.669 117.830 118.600 -0.168 0.000 2.422 282 c HA -0.200 4.370 4.570 -0.001 0.000 0.279 282 c C 2.989 177.048 174.090 -0.051 0.000 1.305 282 c CA 0.774 57.065 56.329 -0.063 0.000 1.757 282 c CB -1.527 40.871 42.510 -0.186 0.000 1.962 282 c HN 0.767 nan 8.230 nan 0.000 0.499 283 c N 0.877 119.357 118.600 -0.200 0.000 2.419 283 c HA -0.147 4.422 4.570 -0.001 0.000 0.281 283 c C 2.612 176.598 174.090 -0.174 0.000 1.336 283 c CA 1.236 57.497 56.329 -0.113 0.000 1.770 283 c CB -1.456 41.058 42.510 0.007 0.000 1.929 283 c HN 0.642 nan 8.230 nan 0.000 0.509 284 Q N -1.328 118.318 119.800 -0.256 0.000 2.488 284 Q HA -0.018 4.322 4.340 -0.001 0.000 0.211 284 Q C 0.676 176.023 176.000 -1.088 0.000 0.967 284 Q CA 1.000 56.464 55.803 -0.564 0.000 0.926 284 Q CB -0.032 28.353 28.738 -0.588 0.000 0.992 284 Q HN 0.750 nan 8.270 nan 0.000 0.506 285 F N -0.272 119.385 119.950 -0.488 0.000 2.668 285 F HA 0.168 4.694 4.527 -0.001 0.000 0.301 285 F C 0.231 175.764 175.800 -0.446 0.000 1.106 285 F CA -0.577 57.043 58.000 -0.633 0.000 1.289 285 F CB 0.763 39.637 39.000 -0.210 0.000 1.006 285 F HN -0.143 nan 8.300 nan 0.000 0.535 286 D N 0.075 120.261 120.400 -0.357 0.000 2.467 286 D HA 0.137 4.777 4.640 -0.001 0.000 0.220 286 D C 0.460 176.591 176.300 -0.282 0.000 1.103 286 D CA -0.333 53.571 54.000 -0.160 0.000 0.886 286 D CB 0.128 40.888 40.800 -0.068 0.000 1.025 286 D HN 0.083 nan 8.370 nan 0.000 0.514 287 F N 1.762 121.718 119.950 0.009 0.000 2.802 287 F HA 0.105 4.632 4.527 -0.001 0.000 0.300 287 F C 2.329 178.081 175.800 -0.080 0.000 1.168 287 F CA 0.271 58.251 58.000 -0.033 0.000 1.433 287 F CB 0.090 39.091 39.000 0.001 0.000 1.115 287 F HN 0.264 nan 8.300 nan 0.000 0.582 288 K N 0.667 121.010 120.400 -0.095 0.000 2.525 288 K HA 0.034 4.354 4.320 -0.001 0.000 0.192 288 K C 1.128 177.698 176.600 -0.050 0.000 1.029 288 K CA 0.344 56.443 56.287 -0.313 0.000 1.029 288 K CB 0.113 32.281 32.500 -0.553 0.000 0.814 288 K HN 0.200 nan 8.250 nan 0.000 0.503 289 R N 0.004 120.497 120.500 -0.012 0.000 2.586 289 R HA 0.199 4.539 4.340 -0.001 0.000 0.306 289 R C 0.939 177.265 176.300 0.043 0.000 1.079 289 R CA -0.172 55.940 56.100 0.021 0.000 1.083 289 R CB 0.253 30.543 30.300 -0.017 0.000 1.306 289 R HN 0.190 nan 8.270 nan 0.000 0.567 290 M N -1.215 118.445 119.600 0.099 0.000 2.541 290 M HA 0.161 4.641 4.480 -0.001 0.000 0.252 290 M C 1.223 177.562 176.300 0.066 0.000 1.125 290 M CA 0.935 56.279 55.300 0.073 0.000 1.091 290 M CB 0.827 33.479 32.600 0.087 0.000 1.420 290 M HN 0.467 nan 8.290 nan 0.000 0.486 291 G N -0.196 108.661 108.800 0.094 0.000 3.709 291 G HA2 -0.226 3.734 3.960 -0.001 0.000 0.196 291 G HA3 -0.226 3.734 3.960 -0.001 0.000 0.196 291 G C 1.009 175.926 174.900 0.029 0.000 1.177 291 G CA 0.236 45.366 45.100 0.050 0.000 0.906 291 G HN 0.388 nan 8.290 nan 0.000 0.416 292 S N 0.343 116.028 115.700 -0.025 0.000 2.447 292 S HA 0.177 4.646 4.470 -0.001 0.000 0.233 292 S C 1.773 176.210 174.600 -0.272 0.000 1.006 292 S CA 1.533 59.624 58.200 -0.182 0.000 0.957 292 S CB -0.442 62.573 63.200 -0.308 0.000 0.773 292 S HN 0.332 nan 8.310 nan 0.000 0.507 293 F N 1.984 121.934 119.950 -0.001 0.000 2.765 293 F HA 0.414 4.941 4.527 -0.001 0.000 0.302 293 F C 1.916 177.718 175.800 0.003 0.000 1.111 293 F CA -0.022 57.977 58.000 -0.002 0.000 1.359 293 F CB -0.282 38.712 39.000 -0.009 0.000 1.097 293 F HN 0.373 nan 8.300 nan 0.000 0.577 294 G N 1.070 109.947 108.800 0.128 0.000 2.160 294 G HA2 -0.286 3.673 3.960 -0.001 0.000 0.251 294 G HA3 -0.286 3.673 3.960 -0.001 0.000 0.251 294 G C -0.085 174.868 174.900 0.089 0.000 1.008 294 G CA 0.095 45.246 45.100 0.085 0.000 0.724 294 G HN 0.315 nan 8.290 nan 0.000 0.514 295 L N 0.050 121.338 121.223 0.109 0.000 2.323 295 L HA 0.874 5.213 4.340 -0.001 0.000 0.265 295 L C 0.506 177.410 176.870 0.057 0.000 1.012 295 L CA -0.393 54.493 54.840 0.077 0.000 0.820 295 L CB 2.341 44.443 42.059 0.072 0.000 1.334 295 L HN 0.463 nan 8.230 nan 0.000 0.427 296 S N -0.816 114.905 115.700 0.036 0.000 2.656 296 S HA 0.516 4.985 4.470 -0.001 0.000 0.273 296 S C -1.288 173.329 174.600 0.028 0.000 1.168 296 S CA -0.812 57.401 58.200 0.023 0.000 0.817 296 S CB 1.587 64.791 63.200 0.006 0.000 1.146 296 S HN 0.522 nan 8.310 nan 0.000 0.475 297 c N 3.080 121.702 118.600 0.037 0.000 2.255 297 c HA 0.547 5.116 4.570 -0.001 0.000 0.326 297 c C -1.057 173.036 174.090 0.004 0.000 1.258 297 c CA -1.181 55.214 56.329 0.109 0.000 1.676 297 c CB 0.751 43.358 42.510 0.162 0.000 2.314 297 c HN 0.761 nan 8.230 nan 0.000 0.509 298 P HA -0.084 nan 4.420 nan 0.000 0.230 298 P C 1.111 178.131 177.300 -0.466 0.000 1.158 298 P CA 1.235 64.068 63.100 -0.445 0.000 0.769 298 P CB 0.066 31.331 31.700 -0.725 0.000 0.807 299 W N 0.492 121.770 121.300 -0.037 0.000 3.180 299 W HA 0.170 4.830 4.660 -0.001 0.000 0.254 299 W C 0.688 177.181 176.519 -0.044 0.000 1.318 299 W CA 0.114 57.433 57.345 -0.043 0.000 1.608 299 W CB -0.507 28.918 29.460 -0.058 0.000 1.124 299 W HN 0.134 nan 8.180 nan 0.000 0.694 300 K N -1.086 119.375 120.400 0.102 0.000 3.467 300 K HA -0.170 4.149 4.320 -0.001 0.000 0.309 300 K C -0.425 176.199 176.600 0.041 0.000 1.350 300 K CA 0.473 56.785 56.287 0.041 0.000 0.934 300 K CB -1.920 30.591 32.500 0.018 0.000 1.312 300 K HN -0.120 nan 8.250 nan 0.000 0.461 301 V N 1.886 121.835 119.914 0.059 0.000 2.378 301 V HA 0.327 4.447 4.120 -0.001 0.000 0.288 301 V C -1.823 174.258 176.094 -0.022 0.000 1.016 301 V CA -1.541 60.764 62.300 0.007 0.000 0.840 301 V CB 1.391 33.209 31.823 -0.008 0.000 0.994 301 V HN -0.034 nan 8.190 nan 0.000 0.431 302 P HA 0.412 nan 4.420 nan 0.000 0.276 302 P C -2.839 174.369 177.300 -0.153 0.000 1.252 302 P CA -2.053 61.005 63.100 -0.071 0.000 0.802 302 P CB 0.294 31.966 31.700 -0.045 0.000 1.035 303 P HA 0.268 nan 4.420 nan 0.000 0.272 303 P C -0.309 176.887 177.300 -0.174 0.000 1.223 303 P CA 0.133 63.026 63.100 -0.345 0.000 0.784 303 P CB 0.567 32.005 31.700 -0.437 0.000 0.923 304 R N 0.334 120.741 120.500 -0.155 0.000 2.686 304 R HA 0.412 4.752 4.340 -0.001 0.000 0.286 304 R C -0.357 175.999 176.300 0.092 0.000 0.969 304 R CA -0.686 55.397 56.100 -0.029 0.000 0.898 304 R CB 1.340 31.603 30.300 -0.062 0.000 1.183 304 R HN 0.351 nan 8.270 nan 0.000 0.456 305 T N 3.912 118.518 114.554 0.086 0.000 2.905 305 T HA 0.025 4.374 4.350 -0.001 0.000 0.299 305 T C 0.763 175.457 174.700 -0.010 0.000 1.024 305 T CA 0.154 62.282 62.100 0.047 0.000 1.151 305 T CB 0.105 68.979 68.868 0.011 0.000 0.987 305 T HN 0.191 nan 8.240 nan 0.000 0.535 306 I N 3.960 124.479 120.570 -0.085 0.000 2.496 306 I HA 0.253 4.422 4.170 -0.001 0.000 0.285 306 I C 0.995 177.064 176.117 -0.081 0.000 1.080 306 I CA 0.086 61.331 61.300 -0.091 0.000 1.404 306 I CB 0.238 38.143 38.000 -0.158 0.000 1.403 306 I HN 0.781 nan 8.210 nan 0.000 0.539 307 S N 3.613 119.276 115.700 -0.062 0.000 2.661 307 S HA 0.435 4.905 4.470 -0.001 0.000 0.285 307 S C 0.309 174.878 174.600 -0.052 0.000 1.138 307 S CA -0.748 57.423 58.200 -0.048 0.000 0.855 307 S CB 2.071 65.250 63.200 -0.034 0.000 1.136 307 S HN 0.486 nan 8.310 nan 0.000 0.484 308 D N 0.701 121.080 120.400 -0.035 0.000 2.182 308 D HA -0.052 4.588 4.640 -0.001 0.000 0.201 308 D C 1.548 177.823 176.300 -0.041 0.000 0.986 308 D CA 1.499 55.480 54.000 -0.032 0.000 0.847 308 D CB -0.228 40.568 40.800 -0.006 0.000 0.942 308 D HN 0.553 nan 8.370 nan 0.000 0.467 309 Q N -0.118 119.661 119.800 -0.034 0.000 2.389 309 Q HA 0.011 4.350 4.340 -0.001 0.000 0.204 309 Q C 1.131 177.108 176.000 -0.037 0.000 0.944 309 Q CA 0.702 56.488 55.803 -0.029 0.000 0.908 309 Q CB 0.010 28.737 28.738 -0.019 0.000 1.002 309 Q HN 0.376 nan 8.270 nan 0.000 0.493 310 N N -1.863 116.807 118.700 -0.050 0.000 2.181 310 N HA -0.014 4.726 4.740 -0.001 0.000 0.207 310 N C 1.067 176.530 175.510 -0.078 0.000 1.182 310 N CA 0.127 53.148 53.050 -0.049 0.000 0.893 310 N CB -0.251 38.213 38.487 -0.037 0.000 1.032 310 N HN 0.042 nan 8.380 nan 0.000 0.513 311 V N 0.556 120.388 119.914 -0.137 0.000 2.407 311 V HA -0.056 4.064 4.120 -0.001 0.000 0.248 311 V C 2.245 178.145 176.094 -0.323 0.000 1.055 311 V CA 2.037 64.203 62.300 -0.224 0.000 1.049 311 V CB -0.866 30.793 31.823 -0.273 0.000 0.662 311 V HN 0.427 nan 8.190 nan 0.000 0.455 312 A N -0.155 122.456 122.820 -0.349 0.000 1.902 312 A HA -0.056 4.263 4.320 -0.001 0.000 0.217 312 A C 2.422 180.056 177.584 0.083 0.000 1.181 312 A CA 2.203 54.175 52.037 -0.108 0.000 0.623 312 A CB -1.004 18.024 19.000 0.045 0.000 0.818 312 A HN 0.805 nan 8.150 nan 0.000 0.443 313 A N -0.515 122.322 122.820 0.029 0.000 1.898 313 A HA -0.116 4.203 4.320 -0.001 0.000 0.216 313 A C 2.244 179.868 177.584 0.067 0.000 1.181 313 A CA 1.325 53.394 52.037 0.055 0.000 0.620 313 A CB -0.428 18.586 19.000 0.024 0.000 0.819 313 A HN 0.415 nan 8.150 nan 0.000 0.442 314 R N 0.151 120.683 120.500 0.053 0.000 2.081 314 R HA -0.061 4.278 4.340 -0.001 0.000 0.235 314 R C 2.426 178.773 176.300 0.078 0.000 1.131 314 R CA 1.572 57.755 56.100 0.138 0.000 0.960 314 R CB -1.014 29.365 30.300 0.132 0.000 0.856 314 R HN 0.534 nan 8.270 nan 0.000 0.436 315 S N 1.391 117.086 115.700 -0.009 0.000 2.368 315 S HA -0.136 4.334 4.470 -0.001 0.000 0.225 315 S C 1.314 175.814 174.600 -0.167 0.000 1.030 315 S CA 1.374 59.477 58.200 -0.161 0.000 0.999 315 S CB -0.275 62.930 63.200 0.007 0.000 0.844 315 S HN 0.260 nan 8.310 nan 0.000 0.459 316 D N 1.633 122.119 120.400 0.144 0.000 2.177 316 D HA -0.147 4.492 4.640 -0.001 0.000 0.189 316 D C 1.913 178.226 176.300 0.023 0.000 1.002 316 D CA 1.165 55.293 54.000 0.214 0.000 0.845 316 D CB -0.629 40.280 40.800 0.183 0.000 0.960 316 D HN 0.264 nan 8.370 nan 0.000 0.447 317 L N -0.237 120.975 121.223 -0.018 0.000 2.046 317 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 317 L C 2.466 179.168 176.870 -0.280 0.000 1.077 317 L CA 0.550 55.354 54.840 -0.060 0.000 0.747 317 L CB -0.256 41.836 42.059 0.054 0.000 0.896 317 L HN 0.084 nan 8.230 nan 0.000 0.432 318 L N -0.946 119.940 121.223 -0.562 0.000 2.027 318 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 318 L C 2.333 178.529 176.870 -1.123 0.000 1.074 318 L CA 1.555 55.735 54.840 -1.099 0.000 0.745 318 L CB -0.343 40.768 42.059 -1.580 0.000 0.898 318 L HN -0.079 nan 8.230 nan 0.000 0.433 319 V N -0.058 119.331 119.914 -0.876 0.000 2.407 319 V HA -0.306 3.813 4.120 -0.001 0.000 0.248 319 V C 2.292 178.243 176.094 -0.238 0.000 1.055 319 V CA 1.914 63.864 62.300 -0.584 0.000 1.049 319 V CB -0.762 30.758 31.823 -0.504 0.000 0.662 319 V HN 0.590 nan 8.190 nan 0.000 0.455 320 D N -0.786 119.528 120.400 -0.143 0.000 2.117 320 D HA -0.207 4.432 4.640 -0.001 0.000 0.197 320 D C 2.239 178.519 176.300 -0.033 0.000 0.987 320 D CA 1.185 55.200 54.000 0.026 0.000 0.829 320 D CB -0.012 40.859 40.800 0.118 0.000 0.961 320 D HN 0.290 nan 8.370 nan 0.000 0.460 321 Q N -0.437 119.277 119.800 -0.144 0.000 2.061 321 Q HA -0.153 4.186 4.340 -0.001 0.000 0.204 321 Q C 2.168 178.187 176.000 0.031 0.000 0.984 321 Q CA 1.041 56.782 55.803 -0.104 0.000 0.846 321 Q CB -0.630 27.986 28.738 -0.204 0.000 0.902 321 Q HN 0.559 nan 8.270 nan 0.000 0.421 322 W N 1.427 122.629 121.300 -0.163 0.000 2.338 322 W HA -0.113 4.547 4.660 -0.001 0.000 0.304 322 W C 2.110 178.520 176.519 -0.182 0.000 1.212 322 W CA 0.797 58.044 57.345 -0.163 0.000 1.264 322 W CB -0.698 28.641 29.460 -0.203 0.000 1.142 322 W HN 0.223 nan 8.180 nan 0.000 0.512 323 K N 0.134 120.505 120.400 -0.048 0.000 2.148 323 K HA -0.134 4.186 4.320 -0.001 0.000 0.204 323 K C 1.951 178.384 176.600 -0.278 0.000 1.050 323 K CA 1.200 57.300 56.287 -0.312 0.000 0.942 323 K CB -0.200 31.833 32.500 -0.778 0.000 0.724 323 K HN 0.071 nan 8.250 nan 0.000 0.446 324 K N 0.988 121.310 120.400 -0.130 0.000 2.025 324 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 324 K C 2.097 178.761 176.600 0.107 0.000 1.049 324 K CA 1.217 57.556 56.287 0.087 0.000 0.933 324 K CB -0.016 32.559 32.500 0.124 0.000 0.714 324 K HN 0.010 nan 8.250 nan 0.000 0.438 325 K N 0.789 121.259 120.400 0.115 0.000 2.063 325 K HA -0.143 4.177 4.320 -0.001 0.000 0.208 325 K C 2.027 178.745 176.600 0.196 0.000 1.048 325 K CA 1.333 57.714 56.287 0.158 0.000 0.928 325 K CB -0.104 32.503 32.500 0.179 0.000 0.713 325 K HN 0.152 nan 8.250 nan 0.000 0.442 326 A N 1.136 124.053 122.820 0.161 0.000 2.070 326 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 326 A C 1.685 179.436 177.584 0.278 0.000 1.159 326 A CA 1.244 53.413 52.037 0.219 0.000 0.656 326 A CB -0.292 18.793 19.000 0.143 0.000 0.800 326 A HN 0.305 nan 8.150 nan 0.000 0.453 327 E N 0.076 120.414 120.200 0.231 0.000 2.265 327 E HA -0.099 4.250 4.350 -0.001 0.000 0.196 327 E C 1.596 178.324 176.600 0.214 0.000 0.996 327 E CA 0.678 57.226 56.400 0.246 0.000 0.832 327 E CB -0.243 29.625 29.700 0.281 0.000 0.756 327 E HN 0.724 nan 8.360 nan 0.000 0.491 328 L N -0.581 120.729 121.223 0.144 0.000 2.599 328 L HA 0.032 4.372 4.340 -0.001 0.000 0.230 328 L C 0.240 176.904 176.870 -0.344 0.000 1.141 328 L CA 0.305 55.096 54.840 -0.082 0.000 0.877 328 L CB -0.100 41.792 42.059 -0.279 0.000 1.009 328 L HN 0.001 nan 8.230 nan 0.000 0.447 329 Y N -1.753 118.633 120.300 0.143 0.000 2.634 329 Y HA 0.381 4.931 4.550 -0.001 0.000 0.340 329 Y C 1.066 177.084 175.900 0.197 0.000 1.058 329 Y CA -1.000 57.204 58.100 0.174 0.000 1.081 329 Y CB 1.220 39.792 38.460 0.187 0.000 1.295 329 Y HN -0.293 nan 8.280 nan 0.000 0.487 330 R N -0.580 120.163 120.500 0.405 0.000 2.265 330 R HA 0.100 4.440 4.340 -0.001 0.000 0.194 330 R C 0.333 176.765 176.300 0.221 0.000 0.931 330 R CA 0.711 56.958 56.100 0.245 0.000 1.032 330 R CB 0.349 30.726 30.300 0.129 0.000 0.980 330 R HN 0.750 nan 8.270 nan 0.000 0.497 331 T N -0.758 113.969 114.554 0.289 0.000 2.922 331 T HA 0.102 4.452 4.350 -0.001 0.000 0.281 331 T C 0.644 175.492 174.700 0.247 0.000 1.005 331 T CA -0.921 61.316 62.100 0.229 0.000 0.982 331 T CB 1.219 70.202 68.868 0.191 0.000 1.158 331 T HN 0.077 nan 8.240 nan 0.000 0.566 332 N N 0.049 118.868 118.700 0.199 0.000 2.327 332 N HA 0.141 4.881 4.740 -0.001 0.000 0.231 332 N C -0.710 174.783 175.510 -0.027 0.000 1.130 332 N CA -0.369 52.762 53.050 0.134 0.000 0.845 332 N CB -0.161 38.335 38.487 0.015 0.000 1.073 332 N HN 0.376 nan 8.380 nan 0.000 0.496 333 V N 1.234 121.165 119.914 0.028 0.000 2.409 333 V HA 0.429 4.549 4.120 -0.001 0.000 0.291 333 V C -0.684 175.488 176.094 0.129 0.000 1.020 333 V CA -0.973 61.341 62.300 0.024 0.000 0.848 333 V CB 1.598 33.420 31.823 -0.001 0.000 0.990 333 V HN 0.178 nan 8.190 nan 0.000 0.430 334 L N 5.682 126.923 121.223 0.030 0.000 2.341 334 L HA 0.692 5.032 4.340 -0.001 0.000 0.278 334 L C -0.891 175.839 176.870 -0.233 0.000 1.005 334 L CA -0.494 54.282 54.840 -0.106 0.000 0.818 334 L CB 1.688 43.583 42.059 -0.274 0.000 1.259 334 L HN 0.631 nan 8.230 nan 0.000 0.418 335 L N 6.370 127.247 121.223 -0.577 0.000 2.264 335 L HA 0.554 4.894 4.340 -0.001 0.000 0.289 335 L C -1.019 175.559 176.870 -0.485 0.000 1.044 335 L CA 0.145 54.485 54.840 -0.834 0.000 0.807 335 L CB 0.723 41.807 42.059 -1.625 0.000 1.192 335 L HN 0.435 nan 8.230 nan 0.000 0.425 336 I N 7.468 127.837 120.570 -0.334 0.000 2.502 336 I HA 0.337 4.506 4.170 -0.001 0.000 0.276 336 I C -2.279 173.817 176.117 -0.035 0.000 1.057 336 I CA -1.985 59.213 61.300 -0.169 0.000 1.163 336 I CB 1.015 38.897 38.000 -0.198 0.000 1.288 336 I HN 0.420 nan 8.210 nan 0.000 0.479 337 P HA 0.144 nan 4.420 nan 0.000 0.269 337 P C -0.454 177.023 177.300 0.294 0.000 1.209 337 P CA -0.217 63.014 63.100 0.218 0.000 0.776 337 P CB 0.837 32.703 31.700 0.277 0.000 0.876 338 L N 2.796 124.238 121.223 0.366 0.000 2.454 338 L HA 0.758 5.098 4.340 -0.001 0.000 0.258 338 L C -0.132 176.819 176.870 0.135 0.000 1.025 338 L CA 0.393 55.372 54.840 0.230 0.000 0.901 338 L CB 0.522 42.648 42.059 0.111 0.000 1.210 338 L HN 0.621 nan 8.230 nan 0.000 0.457 339 G N 1.707 110.468 108.800 -0.065 0.000 2.342 339 G HA2 0.480 4.440 3.960 -0.001 0.000 0.297 339 G HA3 0.480 4.440 3.960 -0.001 0.000 0.297 339 G C -2.206 172.576 174.900 -0.198 0.000 1.313 339 G CA -0.222 44.581 45.100 -0.495 0.000 0.830 339 G HN 0.408 nan 8.290 nan 0.000 0.506 340 D N -1.768 118.574 120.400 -0.097 0.000 2.879 340 D HA 0.302 4.942 4.640 -0.001 0.000 0.346 340 D C -1.527 174.907 176.300 0.223 0.000 1.390 340 D CA -0.451 53.685 54.000 0.226 0.000 0.838 340 D CB 1.325 42.214 40.800 0.148 0.000 1.416 340 D HN 0.230 nan 8.370 nan 0.000 0.493 341 D N 0.423 121.021 120.400 0.329 0.000 2.450 341 D HA 0.210 4.850 4.640 -0.001 0.000 0.247 341 D C 0.224 176.688 176.300 0.273 0.000 1.162 341 D CA 0.505 54.685 54.000 0.300 0.000 0.879 341 D CB -0.285 40.797 40.800 0.470 0.000 1.163 341 D HN 0.343 nan 8.370 nan 0.000 0.472 342 F N 0.255 120.262 119.950 0.094 0.000 3.079 342 F HA -0.309 4.217 4.527 -0.001 0.000 0.274 342 F C 1.114 176.953 175.800 0.065 0.000 0.940 342 F CA 0.613 58.650 58.000 0.063 0.000 0.932 342 F CB -0.928 38.102 39.000 0.050 0.000 0.891 342 F HN 0.227 nan 8.300 nan 0.000 0.722 343 R N -0.459 120.125 120.500 0.140 0.000 2.652 343 R HA 0.459 4.799 4.340 -0.001 0.000 0.271 343 R C 0.709 177.037 176.300 0.045 0.000 1.129 343 R CA -0.674 55.396 56.100 -0.049 0.000 1.200 343 R CB -0.078 30.071 30.300 -0.252 0.000 1.146 343 R HN 0.202 nan 8.270 nan 0.000 0.581 344 F N -0.817 118.973 119.950 -0.266 0.000 3.071 344 F HA -0.259 4.267 4.527 -0.001 0.000 0.295 344 F C 1.348 177.113 175.800 -0.057 0.000 0.919 344 F CA 0.998 58.657 58.000 -0.568 0.000 1.050 344 F CB -1.130 37.237 39.000 -1.055 0.000 1.040 344 F HN 0.610 nan 8.300 nan 0.000 0.692 345 K N -0.113 120.343 120.400 0.094 0.000 2.128 345 K HA 0.078 4.397 4.320 -0.001 0.000 0.202 345 K C 0.698 177.425 176.600 0.212 0.000 1.050 345 K CA 0.869 57.272 56.287 0.194 0.000 0.966 345 K CB 0.284 32.862 32.500 0.131 0.000 0.759 345 K HN 0.478 nan 8.250 nan 0.000 0.454 346 Q N 0.481 120.390 119.800 0.181 0.000 2.266 346 Q HA 0.195 4.534 4.340 -0.001 0.000 0.261 346 Q C 0.135 176.317 176.000 0.304 0.000 0.985 346 Q CA -0.672 55.255 55.803 0.207 0.000 0.873 346 Q CB 1.633 30.500 28.738 0.216 0.000 1.306 346 Q HN 0.160 nan 8.270 nan 0.000 0.447 347 N N 0.627 119.473 118.700 0.243 0.000 2.094 347 N HA -0.185 4.554 4.740 -0.001 0.000 0.191 347 N C 1.691 177.353 175.510 0.253 0.000 1.023 347 N CA 2.268 55.461 53.050 0.238 0.000 0.857 347 N CB -0.357 38.218 38.487 0.148 0.000 1.013 347 N HN 0.738 nan 8.380 nan 0.000 0.426 348 T N -1.090 113.608 114.554 0.240 0.000 2.833 348 T HA -0.132 4.217 4.350 -0.001 0.000 0.269 348 T C 1.718 176.611 174.700 0.322 0.000 1.054 348 T CA 1.266 63.531 62.100 0.275 0.000 1.135 348 T CB -0.145 68.878 68.868 0.259 0.000 0.869 348 T HN 0.354 nan 8.240 nan 0.000 0.466 349 E N -0.208 120.130 120.200 0.231 0.000 2.072 349 E HA -0.101 4.249 4.350 -0.001 0.000 0.190 349 E C 1.855 178.373 176.600 -0.136 0.000 0.982 349 E CA 0.751 57.064 56.400 -0.145 0.000 0.803 349 E CB -0.264 29.177 29.700 -0.431 0.000 0.755 349 E HN 0.703 nan 8.360 nan 0.000 0.453 350 W N 1.862 123.087 121.300 -0.125 0.000 2.318 350 W HA -0.217 4.442 4.660 -0.001 0.000 0.313 350 W C 2.152 178.531 176.519 -0.234 0.000 1.221 350 W CA 1.397 58.571 57.345 -0.286 0.000 1.266 350 W CB -0.354 28.609 29.460 -0.829 0.000 1.150 350 W HN 0.194 nan 8.180 nan 0.000 0.496 351 D N -0.555 119.944 120.400 0.166 0.000 2.097 351 D HA -0.177 4.462 4.640 -0.001 0.000 0.195 351 D C 2.279 178.674 176.300 0.158 0.000 0.989 351 D CA 1.554 55.696 54.000 0.237 0.000 0.827 351 D CB -1.011 39.927 40.800 0.231 0.000 0.966 351 D HN 0.035 nan 8.370 nan 0.000 0.456 352 V N 0.950 120.940 119.914 0.127 0.000 2.427 352 V HA -0.211 3.909 4.120 -0.001 0.000 0.248 352 V C 2.257 178.388 176.094 0.060 0.000 1.051 352 V CA 1.563 63.919 62.300 0.093 0.000 1.048 352 V CB -0.081 31.843 31.823 0.168 0.000 0.666 352 V HN 0.153 nan 8.190 nan 0.000 0.456 353 Q N -0.305 119.566 119.800 0.119 0.000 2.020 353 Q HA -0.197 4.142 4.340 -0.001 0.000 0.198 353 Q C 2.349 178.543 176.000 0.324 0.000 0.974 353 Q CA 1.918 57.885 55.803 0.273 0.000 0.829 353 Q CB -0.511 28.368 28.738 0.235 0.000 0.894 353 Q HN 0.607 nan 8.270 nan 0.000 0.433 354 R N 0.507 121.169 120.500 0.270 0.000 2.070 354 R HA -0.111 4.229 4.340 -0.001 0.000 0.233 354 R C 2.260 178.730 176.300 0.283 0.000 1.137 354 R CA 1.436 57.746 56.100 0.351 0.000 0.945 354 R CB -0.113 30.399 30.300 0.354 0.000 0.845 354 R HN 0.068 nan 8.270 nan 0.000 0.430 355 V N 2.015 122.017 119.914 0.146 0.000 2.343 355 V HA -0.240 3.879 4.120 -0.001 0.000 0.247 355 V C 2.023 178.056 176.094 -0.102 0.000 1.051 355 V CA 1.880 64.209 62.300 0.047 0.000 1.036 355 V CB -0.614 31.228 31.823 0.032 0.000 0.654 355 V HN 0.442 nan 8.190 nan 0.000 0.451 356 N N -0.723 117.804 118.700 -0.289 0.000 2.142 356 N HA -0.161 4.578 4.740 -0.001 0.000 0.186 356 N C 1.860 177.042 175.510 -0.547 0.000 1.023 356 N CA 1.614 54.276 53.050 -0.646 0.000 0.852 356 N CB -0.302 37.205 38.487 -1.634 0.000 0.998 356 N HN 0.519 nan 8.380 nan 0.000 0.424 357 Y N 1.962 122.058 120.300 -0.339 0.000 2.242 357 Y HA -0.074 4.475 4.550 -0.001 0.000 0.291 357 Y C 2.379 177.772 175.900 -0.845 0.000 1.137 357 Y CA 1.008 58.782 58.100 -0.544 0.000 1.181 357 Y CB -0.134 38.092 38.460 -0.392 0.000 0.989 357 Y HN 0.124 nan 8.280 nan 0.000 0.527 358 E N -0.190 119.875 120.200 -0.226 0.000 2.085 358 E HA -0.244 4.105 4.350 -0.001 0.000 0.194 358 E C 2.226 178.780 176.600 -0.077 0.000 0.994 358 E CA 1.215 57.565 56.400 -0.083 0.000 0.801 358 E CB -0.148 29.621 29.700 0.115 0.000 0.743 358 E HN 0.454 nan 8.360 nan 0.000 0.453 359 R N 0.333 120.765 120.500 -0.113 0.000 2.081 359 R HA -0.103 4.236 4.340 -0.001 0.000 0.235 359 R C 2.478 178.749 176.300 -0.048 0.000 1.131 359 R CA 0.929 56.990 56.100 -0.066 0.000 0.960 359 R CB -0.289 29.951 30.300 -0.100 0.000 0.856 359 R HN 0.153 nan 8.270 nan 0.000 0.436 360 L N -0.362 120.766 121.223 -0.158 0.000 2.017 360 L HA -0.195 4.145 4.340 -0.001 0.000 0.208 360 L C 2.168 179.087 176.870 0.082 0.000 1.073 360 L CA 1.221 56.003 54.840 -0.096 0.000 0.745 360 L CB -0.451 41.468 42.059 -0.234 0.000 0.894 360 L HN 0.090 nan 8.230 nan 0.000 0.432 361 F N 0.227 120.184 119.950 0.013 0.000 2.134 361 F HA -0.221 4.306 4.527 -0.001 0.000 0.299 361 F C 2.648 178.447 175.800 -0.002 0.000 1.097 361 F CA 1.353 59.346 58.000 -0.012 0.000 1.264 361 F CB -1.016 37.935 39.000 -0.082 0.000 1.001 361 F HN 0.218 nan 8.300 nan 0.000 0.479 362 E N -0.725 119.601 120.200 0.210 0.000 2.077 362 E HA -0.290 4.059 4.350 -0.001 0.000 0.193 362 E C 2.209 178.891 176.600 0.137 0.000 0.989 362 E CA 1.508 57.992 56.400 0.140 0.000 0.800 362 E CB -0.242 29.526 29.700 0.113 0.000 0.746 362 E HN 0.493 nan 8.360 nan 0.000 0.452 363 H N 0.253 119.368 119.070 0.075 0.000 2.299 363 H HA -0.057 4.499 4.556 -0.001 0.000 0.302 363 H C 2.067 177.475 175.328 0.133 0.000 1.078 363 H CA 2.200 58.306 56.048 0.096 0.000 1.323 363 H CB -0.199 29.616 29.762 0.088 0.000 1.381 363 H HN 0.147 nan 8.280 nan 0.000 0.498 364 I N 0.407 121.027 120.570 0.083 0.000 2.163 364 I HA -0.301 3.869 4.170 -0.001 0.000 0.243 364 I C 1.695 177.822 176.117 0.017 0.000 1.085 364 I CA 1.422 62.695 61.300 -0.045 0.000 1.347 364 I CB -0.282 37.617 38.000 -0.168 0.000 1.044 364 I HN 0.366 nan 8.210 nan 0.000 0.408 365 N N 0.216 118.922 118.700 0.010 0.000 2.396 365 N HA -0.106 4.633 4.740 -0.001 0.000 0.180 365 N C 1.873 177.368 175.510 -0.026 0.000 1.028 365 N CA 1.478 54.515 53.050 -0.022 0.000 0.893 365 N CB -0.257 38.208 38.487 -0.037 0.000 0.967 365 N HN 0.405 nan 8.380 nan 0.000 0.440 366 S N -0.842 114.839 115.700 -0.032 0.000 2.524 366 S HA 0.120 4.590 4.470 -0.001 0.000 0.216 366 S C 0.612 175.170 174.600 -0.071 0.000 0.987 366 S CA -0.074 58.100 58.200 -0.042 0.000 0.909 366 S CB 0.240 63.424 63.200 -0.026 0.000 0.781 366 S HN 0.000 nan 8.310 nan 0.000 0.521 367 Q N 1.245 120.982 119.800 -0.105 0.000 2.421 367 Q HA 0.537 4.877 4.340 -0.001 0.000 0.242 367 Q C 0.936 176.819 176.000 -0.195 0.000 1.024 367 Q CA 0.125 55.830 55.803 -0.164 0.000 0.891 367 Q CB 1.282 29.828 28.738 -0.321 0.000 1.222 367 Q HN 0.451 nan 8.270 nan 0.000 0.483 368 A N 2.795 125.556 122.820 -0.098 0.000 1.986 368 A HA -0.271 4.048 4.320 -0.001 0.000 0.220 368 A C 1.626 179.153 177.584 -0.096 0.000 1.171 368 A CA 2.183 54.178 52.037 -0.071 0.000 0.640 368 A CB -0.734 18.249 19.000 -0.030 0.000 0.811 368 A HN 0.900 nan 8.150 nan 0.000 0.451 369 H N -3.271 115.716 119.070 -0.138 0.000 2.457 369 H HA -0.071 4.485 4.556 -0.001 0.000 0.297 369 H C 1.397 176.650 175.328 -0.125 0.000 1.092 369 H CA 1.596 57.543 56.048 -0.169 0.000 1.309 369 H CB -0.607 28.997 29.762 -0.263 0.000 1.382 369 H HN 0.428 nan 8.280 nan 0.000 0.535 370 F N 0.847 120.527 119.950 -0.451 0.000 2.293 370 F HA 0.007 4.533 4.527 -0.001 0.000 0.297 370 F C 0.800 176.550 175.800 -0.083 0.000 1.089 370 F CA 0.754 58.619 58.000 -0.224 0.000 1.377 370 F CB -0.299 38.536 39.000 -0.275 0.000 1.051 370 F HN 0.169 nan 8.300 nan 0.000 0.511 371 N N 0.515 119.267 118.700 0.088 0.000 2.725 371 N HA -0.165 4.575 4.740 -0.001 0.000 0.251 371 N C -1.048 174.450 175.510 -0.019 0.000 1.031 371 N CA 0.461 53.540 53.050 0.048 0.000 0.720 371 N CB -1.531 37.025 38.487 0.115 0.000 0.930 371 N HN 0.041 nan 8.380 nan 0.000 0.543 372 V N 0.583 120.479 119.914 -0.031 0.000 2.735 372 V HA 0.411 4.531 4.120 -0.001 0.000 0.310 372 V C 0.124 176.132 176.094 -0.144 0.000 1.061 372 V CA -0.675 61.553 62.300 -0.120 0.000 0.913 372 V CB 2.489 34.275 31.823 -0.062 0.000 1.005 372 V HN 0.180 nan 8.190 nan 0.000 0.428 373 Q N 3.012 122.669 119.800 -0.238 0.000 2.339 373 Q HA 0.759 5.098 4.340 -0.001 0.000 0.268 373 Q C -0.801 174.937 176.000 -0.437 0.000 1.027 373 Q CA -0.135 55.501 55.803 -0.277 0.000 0.759 373 Q CB 1.638 30.218 28.738 -0.262 0.000 1.244 373 Q HN 1.002 nan 8.270 nan 0.000 0.464 374 A N 4.375 126.918 122.820 -0.461 0.000 2.350 374 A HA 0.882 5.201 4.320 -0.001 0.000 0.324 374 A C -1.189 175.700 177.584 -1.158 0.000 1.118 374 A CA -0.514 51.077 52.037 -0.743 0.000 0.783 374 A CB 1.142 19.875 19.000 -0.445 0.000 1.236 374 A HN 0.806 nan 8.150 nan 0.000 0.457 375 Q N 0.759 119.779 119.800 -1.301 0.000 2.522 375 Q HA 0.553 4.892 4.340 -0.001 0.000 0.285 375 Q C -1.623 173.942 176.000 -0.724 0.000 0.982 375 Q CA -0.839 54.257 55.803 -1.178 0.000 0.805 375 Q CB 0.686 29.096 28.738 -0.547 0.000 1.457 375 Q HN 0.396 nan 8.270 nan 0.000 0.394 376 F N 0.591 120.459 119.950 -0.138 0.000 2.518 376 F HA 0.594 5.121 4.527 -0.001 0.000 0.359 376 F C 1.162 177.010 175.800 0.080 0.000 1.118 376 F CA 1.393 59.440 58.000 0.079 0.000 1.287 376 F CB 0.917 40.020 39.000 0.171 0.000 1.132 376 F HN 0.751 nan 8.300 nan 0.000 0.587 377 G N 0.355 109.339 108.800 0.306 0.000 2.687 377 G HA2 0.608 4.567 3.960 -0.001 0.000 0.291 377 G HA3 0.608 4.567 3.960 -0.001 0.000 0.291 377 G C -1.076 173.831 174.900 0.011 0.000 1.420 377 G CA -0.624 44.595 45.100 0.198 0.000 0.796 377 G HN 0.717 nan 8.290 nan 0.000 0.485 378 T N -1.878 112.604 114.554 -0.120 0.000 2.937 378 T HA 0.475 4.825 4.350 -0.001 0.000 0.283 378 T C 1.298 175.844 174.700 -0.257 0.000 1.012 378 T CA -0.447 61.542 62.100 -0.184 0.000 0.997 378 T CB 1.520 70.294 68.868 -0.157 0.000 1.136 378 T HN 0.569 nan 8.240 nan 0.000 0.551 379 L N 0.537 121.609 121.223 -0.252 0.000 2.046 379 L HA 0.028 4.368 4.340 -0.001 0.000 0.208 379 L C 2.774 179.603 176.870 -0.068 0.000 1.077 379 L CA 1.987 56.706 54.840 -0.202 0.000 0.747 379 L CB -1.124 40.854 42.059 -0.135 0.000 0.896 379 L HN 0.893 nan 8.230 nan 0.000 0.432 380 Q N -0.099 119.688 119.800 -0.023 0.000 2.124 380 Q HA -0.220 4.119 4.340 -0.001 0.000 0.202 380 Q C 2.079 178.015 176.000 -0.108 0.000 0.977 380 Q CA 1.941 57.763 55.803 0.032 0.000 0.850 380 Q CB -0.158 28.572 28.738 -0.012 0.000 0.901 380 Q HN 0.632 nan 8.270 nan 0.000 0.429 381 E N -1.206 118.835 120.200 -0.265 0.000 2.077 381 E HA -0.220 4.130 4.350 -0.001 0.000 0.193 381 E C 1.686 177.838 176.600 -0.745 0.000 0.989 381 E CA 1.139 57.257 56.400 -0.470 0.000 0.800 381 E CB -0.304 29.044 29.700 -0.586 0.000 0.746 381 E HN 0.475 nan 8.360 nan 0.000 0.452 382 Y N 0.666 120.424 120.300 -0.903 0.000 2.097 382 Y HA -0.288 4.262 4.550 -0.001 0.000 0.282 382 Y C 1.903 177.507 175.900 -0.494 0.000 1.152 382 Y CA 1.694 59.306 58.100 -0.814 0.000 1.136 382 Y CB -0.497 37.511 38.460 -0.754 0.000 0.975 382 Y HN -0.058 nan 8.280 nan 0.000 0.498 383 F N 0.881 120.574 119.950 -0.428 0.000 2.171 383 F HA -0.177 4.349 4.527 -0.001 0.000 0.300 383 F C 2.252 177.817 175.800 -0.392 0.000 1.090 383 F CA 1.742 59.463 58.000 -0.465 0.000 1.293 383 F CB -0.844 38.076 39.000 -0.133 0.000 1.013 383 F HN 0.102 nan 8.300 nan 0.000 0.486 384 D N 0.068 120.419 120.400 -0.082 0.000 2.123 384 D HA -0.174 4.466 4.640 -0.001 0.000 0.196 384 D C 2.353 178.579 176.300 -0.124 0.000 0.992 384 D CA 1.544 55.503 54.000 -0.067 0.000 0.833 384 D CB -0.604 40.146 40.800 -0.083 0.000 0.954 384 D HN 0.246 nan 8.370 nan 0.000 0.455 385 A N 0.445 123.135 122.820 -0.217 0.000 1.930 385 A HA -0.092 4.228 4.320 -0.001 0.000 0.217 385 A C 2.530 179.995 177.584 -0.198 0.000 1.175 385 A CA 0.915 52.867 52.037 -0.141 0.000 0.627 385 A CB -0.633 18.361 19.000 -0.011 0.000 0.815 385 A HN 0.134 nan 8.150 nan 0.000 0.443 386 V N -0.027 119.633 119.914 -0.424 0.000 2.287 386 V HA -0.267 3.852 4.120 -0.001 0.000 0.248 386 V C 2.434 178.344 176.094 -0.307 0.000 1.053 386 V CA 2.164 64.207 62.300 -0.429 0.000 1.027 386 V CB -1.018 30.363 31.823 -0.737 0.000 0.646 386 V HN 0.656 nan 8.190 nan 0.000 0.447 387 H N -0.267 118.689 119.070 -0.190 0.000 2.462 387 H HA -0.090 4.466 4.556 -0.001 0.000 0.292 387 H C 2.414 177.709 175.328 -0.056 0.000 1.049 387 H CA 1.407 57.375 56.048 -0.133 0.000 1.334 387 H CB -0.122 29.521 29.762 -0.197 0.000 1.404 387 H HN 0.552 nan 8.280 nan 0.000 0.544 388 Q N 0.369 120.189 119.800 0.034 0.000 2.084 388 Q HA -0.084 4.255 4.340 -0.001 0.000 0.202 388 Q C 2.573 178.593 176.000 0.032 0.000 0.978 388 Q CA 1.443 57.261 55.803 0.025 0.000 0.844 388 Q CB -0.039 28.702 28.738 0.006 0.000 0.898 388 Q HN 0.416 nan 8.270 nan 0.000 0.426 389 A N 1.005 123.840 122.820 0.025 0.000 1.902 389 A HA -0.265 4.055 4.320 -0.001 0.000 0.217 389 A C 1.954 179.571 177.584 0.055 0.000 1.181 389 A CA 1.608 53.673 52.037 0.047 0.000 0.623 389 A CB -0.573 18.459 19.000 0.053 0.000 0.818 389 A HN 0.453 nan 8.150 nan 0.000 0.443 390 E N -0.172 120.077 120.200 0.081 0.000 2.058 390 E HA -0.237 4.113 4.350 -0.001 0.000 0.194 390 E C 2.227 178.865 176.600 0.065 0.000 0.997 390 E CA 1.286 57.742 56.400 0.093 0.000 0.801 390 E CB -0.146 29.717 29.700 0.272 0.000 0.746 390 E HN 0.588 nan 8.360 nan 0.000 0.450 391 R N -0.291 120.250 120.500 0.069 0.000 2.148 391 R HA -0.037 4.303 4.340 -0.001 0.000 0.227 391 R C 2.160 178.478 176.300 0.031 0.000 1.103 391 R CA 0.807 56.934 56.100 0.045 0.000 0.983 391 R CB -0.139 30.182 30.300 0.036 0.000 0.874 391 R HN 0.141 nan 8.270 nan 0.000 0.451 392 A N 0.254 123.093 122.820 0.033 0.000 2.239 392 A HA 0.138 4.457 4.320 -0.001 0.000 0.209 392 A C 1.401 178.998 177.584 0.022 0.000 1.171 392 A CA 0.891 52.946 52.037 0.029 0.000 0.768 392 A CB -0.206 18.818 19.000 0.040 0.000 0.790 392 A HN 0.456 nan 8.150 nan 0.000 0.478 393 G N -0.503 108.306 108.800 0.015 0.000 2.136 393 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.242 393 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.242 393 G C 0.715 175.608 174.900 -0.011 0.000 0.989 393 G CA 0.715 45.815 45.100 -0.001 0.000 0.682 393 G HN 0.982 nan 8.290 nan 0.000 0.522 394 Q N -0.745 119.055 119.800 0.001 0.000 2.424 394 Q HA 0.659 4.999 4.340 -0.001 0.000 0.204 394 Q C 0.913 176.892 176.000 -0.035 0.000 0.933 394 Q CA 1.218 57.025 55.803 0.006 0.000 0.929 394 Q CB 0.401 29.182 28.738 0.072 0.000 1.037 394 Q HN 1.648 nan 8.270 nan 0.000 0.511 395 A N 0.408 123.165 122.820 -0.105 0.000 2.574 395 A HA 0.580 4.900 4.320 -0.001 0.000 0.297 395 A C -1.831 175.532 177.584 -0.367 0.000 1.062 395 A CA -0.750 51.132 52.037 -0.259 0.000 0.686 395 A CB 1.825 20.602 19.000 -0.373 0.000 1.285 395 A HN 0.263 nan 8.150 nan 0.000 0.403 396 E N 0.713 120.683 120.200 -0.383 0.000 2.256 396 E HA 0.724 5.074 4.350 -0.001 0.000 0.267 396 E C -1.773 174.610 176.600 -0.363 0.000 0.892 396 E CA -0.480 55.751 56.400 -0.281 0.000 0.775 396 E CB 1.167 30.819 29.700 -0.081 0.000 1.207 396 E HN 0.431 nan 8.360 nan 0.000 0.420 397 F N 3.382 123.438 119.950 0.176 0.000 2.450 397 F HA 0.444 4.971 4.527 -0.000 0.000 0.332 397 F C -1.791 174.111 175.800 0.170 0.000 1.093 397 F CA -2.130 56.000 58.000 0.215 0.000 1.003 397 F CB 1.165 40.374 39.000 0.349 0.000 1.151 397 F HN 0.323 nan 8.300 nan 0.000 0.474 398 P HA 0.170 nan 4.420 nan 0.000 0.274 398 P C -0.585 176.856 177.300 0.235 0.000 1.237 398 P CA -0.359 62.873 63.100 0.219 0.000 0.793 398 P CB 0.873 32.669 31.700 0.161 0.000 0.977 399 T N -0.501 114.143 114.554 0.150 0.000 2.907 399 T HA 0.670 5.020 4.350 -0.001 0.000 0.284 399 T C -0.288 174.442 174.700 0.051 0.000 1.004 399 T CA -0.785 61.395 62.100 0.134 0.000 1.063 399 T CB 0.961 69.886 68.868 0.095 0.000 0.992 399 T HN 0.450 nan 8.240 nan 0.000 0.483 400 L N 1.877 123.130 121.223 0.051 0.000 2.445 400 L HA 0.719 5.058 4.340 -0.001 0.000 0.262 400 L C -0.649 176.220 176.870 -0.002 0.000 0.974 400 L CA -0.418 54.345 54.840 -0.128 0.000 0.822 400 L CB 2.190 43.927 42.059 -0.537 0.000 1.339 400 L HN 1.108 nan 8.230 nan 0.000 0.409 401 S N 2.546 118.199 115.700 -0.079 0.000 2.632 401 S HA 1.061 5.530 4.470 -0.001 0.000 0.289 401 S C -0.317 174.215 174.600 -0.115 0.000 1.115 401 S CA -0.008 58.201 58.200 0.014 0.000 0.889 401 S CB 2.071 65.243 63.200 -0.046 0.000 1.116 401 S HN 1.691 nan 8.310 nan 0.000 0.486 402 G N 1.019 109.808 108.800 -0.019 0.000 2.331 402 G HA2 0.316 4.275 3.960 -0.001 0.000 0.479 402 G HA3 0.316 4.275 3.960 -0.001 0.000 0.479 402 G C -1.749 173.064 174.900 -0.146 0.000 1.262 402 G CA -0.008 44.984 45.100 -0.179 0.000 1.029 402 G HN 1.293 nan 8.290 nan 0.000 0.487 403 D N -1.729 118.449 120.400 -0.369 0.000 2.687 403 D HA 0.751 5.390 4.640 -0.001 0.000 0.264 403 D C -0.585 175.211 176.300 -0.841 0.000 1.091 403 D CA -1.051 52.745 54.000 -0.339 0.000 1.123 403 D CB 1.076 41.855 40.800 -0.035 0.000 1.407 403 D HN 0.388 nan 8.370 nan 0.000 0.591 404 F N -0.475 119.345 119.950 -0.217 0.000 2.761 404 F HA 0.396 4.923 4.527 -0.001 0.000 0.367 404 F C -0.913 174.720 175.800 -0.278 0.000 1.386 404 F CA -0.643 57.232 58.000 -0.209 0.000 1.177 404 F CB 0.147 39.056 39.000 -0.151 0.000 1.092 404 F HN -0.004 nan 8.300 nan 0.000 0.517 405 F N -0.714 119.413 119.950 0.295 0.000 2.538 405 F HA 0.559 5.086 4.527 -0.001 0.000 0.325 405 F C 0.617 176.666 175.800 0.414 0.000 1.066 405 F CA -1.467 56.773 58.000 0.400 0.000 0.946 405 F CB 1.500 40.727 39.000 0.377 0.000 1.199 405 F HN -0.290 nan 8.300 nan 0.000 0.473 406 T N 1.870 116.791 114.554 0.612 0.000 2.806 406 T HA 0.151 4.501 4.350 -0.001 0.000 0.290 406 T C -0.881 174.282 174.700 0.773 0.000 0.966 406 T CA -0.164 62.366 62.100 0.717 0.000 1.060 406 T CB 0.080 69.237 68.868 0.481 0.000 0.927 406 T HN 0.366 nan 8.240 nan 0.000 0.485 407 Y N 2.993 123.622 120.300 0.548 0.000 2.497 407 Y HA 0.407 4.956 4.550 -0.001 0.000 0.334 407 Y C -0.108 175.851 175.900 0.098 0.000 1.199 407 Y CA -1.114 57.139 58.100 0.256 0.000 1.425 407 Y CB 0.119 38.604 38.460 0.041 0.000 1.291 407 Y HN 0.684 nan 8.280 nan 0.000 0.562 408 A N 5.119 127.504 122.820 -0.724 0.000 2.374 408 A HA 0.363 4.682 4.320 -0.001 0.000 0.305 408 A C -0.030 176.939 177.584 -1.025 0.000 1.053 408 A CA -0.263 51.193 52.037 -0.968 0.000 0.726 408 A CB 0.694 18.873 19.000 -1.368 0.000 1.229 408 A HN 0.800 nan 8.150 nan 0.000 0.431 409 D N 1.580 121.527 120.400 -0.756 0.000 2.333 409 D HA 0.040 4.680 4.640 -0.001 0.000 0.208 409 D C 0.528 176.832 176.300 0.006 0.000 0.984 409 D CA 0.592 54.414 54.000 -0.297 0.000 0.873 409 D CB 0.152 40.929 40.800 -0.037 0.000 0.935 409 D HN 0.729 nan 8.370 nan 0.000 0.521 410 R N -2.381 118.059 120.500 -0.099 0.000 2.687 410 R HA 0.410 4.750 4.340 -0.001 0.000 0.265 410 R C -0.254 175.925 176.300 -0.202 0.000 1.048 410 R CA -0.218 55.663 56.100 -0.364 0.000 0.884 410 R CB 0.805 30.961 30.300 -0.240 0.000 1.258 410 R HN -0.097 nan 8.270 nan 0.000 0.469 411 S N 0.217 115.754 115.700 -0.272 0.000 3.949 411 S HA -0.277 4.193 4.470 -0.001 0.000 0.626 411 S C 0.308 174.977 174.600 0.114 0.000 2.168 411 S CA 1.810 59.992 58.200 -0.031 0.000 4.124 411 S CB -1.116 62.051 63.200 -0.055 0.000 0.220 411 S HN 1.096 nan 8.310 nan 0.000 0.750 412 D N 1.361 121.817 120.400 0.092 0.000 2.388 412 D HA 0.198 4.838 4.640 -0.001 0.000 0.221 412 D C 0.049 176.449 176.300 0.167 0.000 1.133 412 D CA -0.134 53.987 54.000 0.202 0.000 0.831 412 D CB -1.398 39.504 40.800 0.169 0.000 0.962 412 D HN 0.501 nan 8.370 nan 0.000 0.502 413 N N 0.944 119.646 118.700 0.003 0.000 2.739 413 N HA 0.053 4.792 4.740 -0.001 0.000 0.266 413 N C -0.925 174.603 175.510 0.030 0.000 1.168 413 N CA -0.305 52.749 53.050 0.007 0.000 1.055 413 N CB 0.143 38.616 38.487 -0.024 0.000 1.393 413 N HN 0.138 nan 8.380 nan 0.000 0.514 414 Y N 0.177 120.563 120.300 0.143 0.000 2.304 414 Y HA 0.116 4.666 4.550 -0.001 0.000 0.328 414 Y C 0.095 176.197 175.900 0.337 0.000 1.123 414 Y CA -0.646 57.607 58.100 0.254 0.000 1.218 414 Y CB 0.600 39.154 38.460 0.158 0.000 1.207 414 Y HN 0.390 nan 8.280 nan 0.000 0.495 415 W N 2.378 123.818 121.300 0.233 0.000 1.809 415 W HA 0.241 4.901 4.660 -0.001 0.000 0.399 415 W C 0.838 177.403 176.519 0.076 0.000 0.636 415 W CA -0.653 56.855 57.345 0.271 0.000 2.178 415 W CB -0.398 29.327 29.460 0.443 0.000 1.632 415 W HN 0.553 nan 8.180 nan 0.000 0.470 416 S N -2.047 113.689 115.700 0.061 0.000 2.535 416 S HA 0.122 4.592 4.470 -0.001 0.000 0.214 416 S C 1.957 176.292 174.600 -0.442 0.000 0.980 416 S CA 0.359 58.238 58.200 -0.535 0.000 0.907 416 S CB 0.142 63.343 63.200 0.002 0.000 0.790 416 S HN 0.339 nan 8.310 nan 0.000 0.510 417 G N 2.027 110.763 108.800 -0.106 0.000 2.418 417 G HA2 -0.203 3.757 3.960 -0.001 0.000 0.217 417 G HA3 -0.203 3.757 3.960 -0.001 0.000 0.217 417 G C 1.259 176.140 174.900 -0.032 0.000 1.158 417 G CA 0.933 45.983 45.100 -0.083 0.000 0.771 417 G HN 0.801 nan 8.290 nan 0.000 0.545 418 Y N -0.476 119.798 120.300 -0.043 0.000 2.632 418 Y HA 0.172 4.721 4.550 -0.001 0.000 0.301 418 Y C 1.788 177.810 175.900 0.204 0.000 1.172 418 Y CA -0.423 57.731 58.100 0.091 0.000 1.328 418 Y CB -0.365 38.242 38.460 0.245 0.000 1.016 418 Y HN 0.180 nan 8.280 nan 0.000 0.529 419 Y N 0.607 120.688 120.300 -0.365 0.000 2.574 419 Y HA -0.027 4.522 4.550 -0.001 0.000 0.294 419 Y C 1.706 177.552 175.900 -0.089 0.000 1.142 419 Y CA 0.632 58.552 58.100 -0.301 0.000 1.314 419 Y CB -0.736 37.586 38.460 -0.231 0.000 0.991 419 Y HN 0.306 nan 8.280 nan 0.000 0.555 420 T N -2.776 111.842 114.554 0.106 0.000 2.980 420 T HA 0.082 4.432 4.350 -0.001 0.000 0.252 420 T C 0.727 175.510 174.700 0.138 0.000 0.962 420 T CA -0.070 62.093 62.100 0.105 0.000 0.932 420 T CB 0.031 68.932 68.868 0.055 0.000 1.188 420 T HN -0.068 nan 8.240 nan 0.000 0.500 421 S N 2.397 118.177 115.700 0.133 0.000 2.558 421 S HA 0.213 4.682 4.470 -0.001 0.000 0.293 421 S C 0.398 175.127 174.600 0.215 0.000 1.292 421 S CA -0.013 58.276 58.200 0.148 0.000 1.063 421 S CB 0.107 63.381 63.200 0.123 0.000 0.831 421 S HN 0.399 nan 8.310 nan 0.000 0.499 422 R N 1.017 121.659 120.500 0.238 0.000 3.205 422 R HA -0.121 4.219 4.340 -0.001 0.000 0.249 422 R C -2.035 174.504 176.300 0.398 0.000 0.937 422 R CA 0.682 56.995 56.100 0.356 0.000 0.641 422 R CB -1.759 28.783 30.300 0.404 0.000 1.114 422 R HN 0.504 nan 8.270 nan 0.000 0.451 423 P HA -0.210 nan 4.420 nan 0.000 0.223 423 P C 1.093 178.592 177.300 0.331 0.000 1.151 423 P CA 0.911 64.218 63.100 0.346 0.000 0.787 423 P CB -0.007 31.940 31.700 0.413 0.000 0.788 424 Y N 1.553 121.929 120.300 0.127 0.000 2.128 424 Y HA -0.260 4.289 4.550 -0.001 0.000 0.284 424 Y C 2.280 178.152 175.900 -0.048 0.000 1.154 424 Y CA 2.089 60.181 58.100 -0.015 0.000 1.149 424 Y CB -0.917 37.402 38.460 -0.234 0.000 0.976 424 Y HN 0.066 nan 8.280 nan 0.000 0.505 425 H N -0.891 118.408 119.070 0.383 0.000 2.470 425 H HA 0.019 4.574 4.556 -0.001 0.000 0.289 425 H C 2.049 177.513 175.328 0.227 0.000 1.033 425 H CA 1.214 57.410 56.048 0.246 0.000 1.331 425 H CB -0.062 29.913 29.762 0.355 0.000 1.414 425 H HN 0.242 nan 8.280 nan 0.000 0.545 426 K N 0.412 121.021 120.400 0.348 0.000 2.063 426 K HA -0.177 4.142 4.320 -0.001 0.000 0.208 426 K C 2.261 178.910 176.600 0.083 0.000 1.048 426 K CA 1.347 57.776 56.287 0.237 0.000 0.928 426 K CB 0.041 32.663 32.500 0.202 0.000 0.713 426 K HN 0.035 nan 8.250 nan 0.000 0.442 427 R N 1.377 121.897 120.500 0.032 0.000 2.075 427 R HA -0.024 4.315 4.340 -0.001 0.000 0.232 427 R C 2.080 178.133 176.300 -0.412 0.000 1.126 427 R CA 1.493 57.542 56.100 -0.085 0.000 0.963 427 R CB -0.444 29.894 30.300 0.063 0.000 0.858 427 R HN 0.171 nan 8.270 nan 0.000 0.435 428 M N 0.263 119.486 119.600 -0.629 0.000 2.149 428 M HA -0.212 4.268 4.480 -0.001 0.000 0.261 428 M C 1.478 177.422 176.300 -0.593 0.000 1.064 428 M CA 2.440 57.118 55.300 -1.037 0.000 1.102 428 M CB -0.348 31.818 32.600 -0.723 0.000 1.369 428 M HN 0.292 nan 8.290 nan 0.000 0.408 429 D N -0.290 119.961 120.400 -0.249 0.000 2.116 429 D HA -0.223 4.416 4.640 -0.001 0.000 0.193 429 D C 1.887 178.100 176.300 -0.144 0.000 0.998 429 D CA 1.498 55.455 54.000 -0.071 0.000 0.836 429 D CB 0.117 41.023 40.800 0.177 0.000 0.951 429 D HN 0.227 nan 8.370 nan 0.000 0.449 430 R N 0.004 120.404 120.500 -0.168 0.000 2.115 430 R HA -0.000 4.339 4.340 -0.001 0.000 0.226 430 R C 2.415 178.607 176.300 -0.180 0.000 1.100 430 R CA 0.398 56.409 56.100 -0.148 0.000 0.980 430 R CB -0.905 29.329 30.300 -0.110 0.000 0.875 430 R HN 0.263 nan 8.270 nan 0.000 0.445 431 V N 1.484 121.195 119.914 -0.339 0.000 2.270 431 V HA -0.209 3.910 4.120 -0.001 0.000 0.245 431 V C 2.356 178.300 176.094 -0.251 0.000 1.043 431 V CA 1.483 63.572 62.300 -0.352 0.000 1.014 431 V CB -0.576 30.737 31.823 -0.850 0.000 0.645 431 V HN 0.133 nan 8.190 nan 0.000 0.447 432 L N -0.371 120.622 121.223 -0.384 0.000 2.131 432 L HA -0.155 4.184 4.340 -0.001 0.000 0.210 432 L C 2.303 179.109 176.870 -0.107 0.000 1.092 432 L CA 1.986 56.667 54.840 -0.264 0.000 0.759 432 L CB -0.696 41.193 42.059 -0.283 0.000 0.903 432 L HN 0.333 nan 8.230 nan 0.000 0.435 433 M N -1.278 118.256 119.600 -0.110 0.000 2.089 433 M HA -0.338 4.141 4.480 -0.001 0.000 0.257 433 M C 2.376 178.637 176.300 -0.065 0.000 1.071 433 M CA 2.459 57.695 55.300 -0.106 0.000 1.096 433 M CB -0.408 32.096 32.600 -0.160 0.000 1.330 433 M HN 0.562 nan 8.290 nan 0.000 0.403 434 H N -0.791 118.240 119.070 -0.065 0.000 2.363 434 H HA -0.145 4.410 4.556 -0.001 0.000 0.301 434 H C 1.462 176.825 175.328 0.059 0.000 1.074 434 H CA 2.273 58.310 56.048 -0.019 0.000 1.354 434 H CB -0.349 29.408 29.762 -0.007 0.000 1.397 434 H HN 0.475 nan 8.280 nan 0.000 0.516 435 Y N -0.414 119.743 120.300 -0.237 0.000 2.224 435 Y HA -0.155 4.395 4.550 -0.001 0.000 0.289 435 Y C 2.722 178.500 175.900 -0.203 0.000 1.146 435 Y CA 1.227 59.192 58.100 -0.225 0.000 1.182 435 Y CB -0.538 37.851 38.460 -0.119 0.000 0.983 435 Y HN 0.117 nan 8.280 nan 0.000 0.524 436 V N 0.122 120.024 119.914 -0.020 0.000 2.295 436 V HA -0.311 3.809 4.120 -0.001 0.000 0.246 436 V C 2.520 178.552 176.094 -0.103 0.000 1.049 436 V CA 2.173 64.433 62.300 -0.066 0.000 1.024 436 V CB -0.595 31.181 31.823 -0.078 0.000 0.648 436 V HN 0.308 nan 8.190 nan 0.000 0.447 437 R N 0.408 120.826 120.500 -0.138 0.000 2.083 437 R HA -0.198 4.142 4.340 -0.001 0.000 0.237 437 R C 2.249 178.480 176.300 -0.115 0.000 1.137 437 R CA 1.974 57.999 56.100 -0.125 0.000 0.951 437 R CB -0.506 29.719 30.300 -0.125 0.000 0.851 437 R HN 0.466 nan 8.270 nan 0.000 0.434 438 A N 0.549 123.238 122.820 -0.218 0.000 1.930 438 A HA -0.038 4.282 4.320 -0.001 0.000 0.217 438 A C 2.355 179.888 177.584 -0.085 0.000 1.175 438 A CA 1.545 53.516 52.037 -0.110 0.000 0.627 438 A CB -0.692 18.163 19.000 -0.242 0.000 0.815 438 A HN 0.576 nan 8.150 nan 0.000 0.443 439 A N -0.116 122.644 122.820 -0.100 0.000 1.898 439 A HA -0.146 4.173 4.320 -0.001 0.000 0.216 439 A C 1.934 179.469 177.584 -0.081 0.000 1.181 439 A CA 1.528 53.519 52.037 -0.076 0.000 0.620 439 A CB -0.485 18.479 19.000 -0.059 0.000 0.819 439 A HN 0.616 nan 8.150 nan 0.000 0.442 440 E N -0.955 119.194 120.200 -0.084 0.000 2.072 440 E HA -0.194 4.155 4.350 -0.001 0.000 0.191 440 E C 2.064 178.601 176.600 -0.106 0.000 0.985 440 E CA 1.338 57.680 56.400 -0.096 0.000 0.801 440 E CB -0.258 29.386 29.700 -0.093 0.000 0.750 440 E HN 0.747 nan 8.360 nan 0.000 0.452 441 M N 0.753 120.311 119.600 -0.070 0.000 2.077 441 M HA -0.144 4.336 4.480 -0.001 0.000 0.261 441 M C 2.187 178.473 176.300 -0.024 0.000 1.070 441 M CA 1.340 56.599 55.300 -0.069 0.000 1.125 441 M CB 0.029 32.683 32.600 0.089 0.000 1.339 441 M HN 0.074 nan 8.290 nan 0.000 0.409 442 L N 0.098 121.359 121.223 0.064 0.000 2.079 442 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 442 L C 2.624 179.647 176.870 0.255 0.000 1.081 442 L CA 1.741 56.679 54.840 0.162 0.000 0.752 442 L CB -0.530 41.477 42.059 -0.087 0.000 0.896 442 L HN 0.520 nan 8.230 nan 0.000 0.433 443 S N -1.051 114.720 115.700 0.118 0.000 2.527 443 S HA 0.071 4.540 4.470 -0.001 0.000 0.222 443 S C 1.969 176.737 174.600 0.279 0.000 0.985 443 S CA 0.377 58.720 58.200 0.238 0.000 0.921 443 S CB 0.025 63.172 63.200 -0.089 0.000 0.772 443 S HN 0.295 nan 8.310 nan 0.000 0.529 444 A N 0.906 123.716 122.820 -0.018 0.000 2.015 444 A HA 0.094 4.414 4.320 -0.001 0.000 0.219 444 A C 1.696 179.169 177.584 -0.185 0.000 1.163 444 A CA 0.757 52.685 52.037 -0.181 0.000 0.646 444 A CB -1.170 17.573 19.000 -0.429 0.000 0.806 444 A HN 0.758 nan 8.150 nan 0.000 0.448 445 W N -0.613 120.694 121.300 0.012 0.000 2.392 445 W HA -0.030 4.629 4.660 -0.001 0.000 0.279 445 W C 0.893 177.200 176.519 -0.354 0.000 1.225 445 W CA 1.027 58.280 57.345 -0.153 0.000 1.233 445 W CB -0.171 29.157 29.460 -0.220 0.000 1.122 445 W HN 0.396 nan 8.180 nan 0.000 0.561 446 H N -2.195 116.932 119.070 0.096 0.000 2.731 446 H HA 0.380 4.935 4.556 -0.001 0.000 0.368 446 H C -0.291 174.939 175.328 -0.163 0.000 1.168 446 H CA -0.911 55.035 56.048 -0.170 0.000 1.181 446 H CB 1.555 30.967 29.762 -0.582 0.000 1.743 446 H HN -0.427 nan 8.280 nan 0.000 0.547 447 S N 0.885 116.545 115.700 -0.068 0.000 2.562 447 S HA 0.200 4.669 4.470 -0.001 0.000 0.275 447 S C -1.106 173.384 174.600 -0.184 0.000 1.281 447 S CA -0.604 57.578 58.200 -0.030 0.000 1.045 447 S CB 0.224 63.416 63.200 -0.013 0.000 0.962 447 S HN 0.333 nan 8.310 nan 0.000 0.503 448 W N 1.473 122.773 121.300 -0.000 0.000 2.632 448 W HA 0.330 4.989 4.660 -0.001 0.000 0.328 448 W C 0.210 176.685 176.519 -0.074 0.000 1.044 448 W CA -0.812 56.505 57.345 -0.048 0.000 1.225 448 W CB 0.546 29.945 29.460 -0.103 0.000 1.396 448 W HN 0.534 nan 8.180 nan 0.000 0.499 449 D N 1.151 121.629 120.400 0.129 0.000 2.472 449 D HA -0.033 4.607 4.640 -0.001 0.000 0.237 449 D C 1.438 177.739 176.300 0.001 0.000 1.141 449 D CA 0.997 55.035 54.000 0.063 0.000 0.875 449 D CB 1.578 42.440 40.800 0.102 0.000 1.192 449 D HN 0.711 nan 8.370 nan 0.000 0.450 450 G N 3.616 112.426 108.800 0.017 0.000 2.462 450 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.220 450 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.220 450 G C 1.460 176.338 174.900 -0.036 0.000 1.121 450 G CA 0.338 45.436 45.100 -0.004 0.000 0.758 450 G HN 0.471 nan 8.290 nan 0.000 0.559 451 M N 1.035 120.625 119.600 -0.017 0.000 2.460 451 M HA 0.110 4.589 4.480 -0.001 0.000 0.263 451 M C 2.738 178.967 176.300 -0.117 0.000 1.071 451 M CA 0.680 55.994 55.300 0.022 0.000 1.096 451 M CB -0.850 31.854 32.600 0.173 0.000 1.408 451 M HN 0.316 nan 8.290 nan 0.000 0.463 452 A N -0.158 122.360 122.820 -0.504 0.000 2.167 452 A HA -0.027 4.292 4.320 -0.001 0.000 0.214 452 A C 1.238 178.621 177.584 -0.335 0.000 1.151 452 A CA 0.361 51.882 52.037 -0.860 0.000 0.735 452 A CB -0.332 17.981 19.000 -1.145 0.000 0.802 452 A HN 0.587 nan 8.150 nan 0.000 0.467 453 R N -1.751 118.631 120.500 -0.196 0.000 3.758 453 R HA -0.181 4.159 4.340 -0.001 0.000 0.299 453 R C 0.683 176.881 176.300 -0.170 0.000 1.182 453 R CA 0.762 56.788 56.100 -0.123 0.000 0.809 453 R CB -2.171 28.092 30.300 -0.061 0.000 1.249 453 R HN 0.476 nan 8.270 nan 0.000 0.497 454 I N 0.579 120.995 120.570 -0.256 0.000 2.163 454 I HA -0.185 3.984 4.170 -0.001 0.000 0.240 454 I C 2.135 178.132 176.117 -0.200 0.000 1.081 454 I CA 1.689 62.790 61.300 -0.333 0.000 1.353 454 I CB -0.688 36.955 38.000 -0.594 0.000 1.054 454 I HN 0.198 nan 8.210 nan 0.000 0.407 455 E N 0.706 120.826 120.200 -0.133 0.000 2.110 455 E HA -0.234 4.116 4.350 -0.001 0.000 0.193 455 E C 2.084 178.641 176.600 -0.073 0.000 0.988 455 E CA 1.160 57.509 56.400 -0.085 0.000 0.804 455 E CB -0.222 29.452 29.700 -0.044 0.000 0.745 455 E HN 0.473 nan 8.360 nan 0.000 0.458 456 E N 0.432 120.592 120.200 -0.067 0.000 2.038 456 E HA -0.256 4.094 4.350 -0.001 0.000 0.195 456 E C 1.943 178.506 176.600 -0.061 0.000 1.000 456 E CA 1.107 57.477 56.400 -0.050 0.000 0.803 456 E CB 0.093 29.771 29.700 -0.038 0.000 0.750 456 E HN -0.030 nan 8.360 nan 0.000 0.448 457 R N 0.279 120.733 120.500 -0.078 0.000 2.092 457 R HA -0.008 4.332 4.340 -0.001 0.000 0.231 457 R C 2.387 178.638 176.300 -0.082 0.000 1.119 457 R CA 0.895 56.951 56.100 -0.074 0.000 0.970 457 R CB -0.472 29.779 30.300 -0.082 0.000 0.864 457 R HN 0.282 nan 8.270 nan 0.000 0.440 458 L N -0.123 121.041 121.223 -0.099 0.000 2.093 458 L HA -0.130 4.210 4.340 -0.001 0.000 0.208 458 L C 2.373 179.183 176.870 -0.099 0.000 1.085 458 L CA 1.502 56.282 54.840 -0.099 0.000 0.755 458 L CB -0.434 41.559 42.059 -0.109 0.000 0.904 458 L HN 0.299 nan 8.230 nan 0.000 0.435 459 E N 0.197 120.341 120.200 -0.093 0.000 2.077 459 E HA -0.308 4.041 4.350 -0.001 0.000 0.193 459 E C 2.211 178.735 176.600 -0.126 0.000 0.989 459 E CA 1.377 57.712 56.400 -0.108 0.000 0.800 459 E CB -0.021 29.636 29.700 -0.072 0.000 0.746 459 E HN 0.430 nan 8.360 nan 0.000 0.452 460 Q N 0.060 119.806 119.800 -0.090 0.000 2.061 460 Q HA -0.232 4.108 4.340 -0.001 0.000 0.204 460 Q C 2.096 178.042 176.000 -0.089 0.000 0.984 460 Q CA 1.805 57.561 55.803 -0.078 0.000 0.846 460 Q CB -0.265 28.442 28.738 -0.051 0.000 0.902 460 Q HN 0.356 nan 8.270 nan 0.000 0.421 461 A N 1.025 123.794 122.820 -0.085 0.000 1.877 461 A HA -0.185 4.134 4.320 -0.001 0.000 0.216 461 A C 2.098 179.617 177.584 -0.108 0.000 1.186 461 A CA 1.495 53.482 52.037 -0.082 0.000 0.620 461 A CB -0.534 18.425 19.000 -0.068 0.000 0.822 461 A HN 0.389 nan 8.150 nan 0.000 0.443 462 R N -0.799 119.618 120.500 -0.138 0.000 2.096 462 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 462 R C 2.448 178.594 176.300 -0.257 0.000 1.127 462 R CA 1.621 57.614 56.100 -0.178 0.000 0.968 462 R CB -0.274 29.910 30.300 -0.193 0.000 0.861 462 R HN 0.495 nan 8.270 nan 0.000 0.440 463 R N 0.200 120.513 120.500 -0.311 0.000 2.090 463 R HA -0.060 4.279 4.340 -0.001 0.000 0.228 463 R C 2.074 178.299 176.300 -0.126 0.000 1.110 463 R CA 0.877 56.714 56.100 -0.437 0.000 0.973 463 R CB 0.029 30.086 30.300 -0.405 0.000 0.869 463 R HN 0.174 nan 8.270 nan 0.000 0.440 464 E N 0.831 120.995 120.200 -0.061 0.000 2.107 464 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 464 E C 1.966 178.594 176.600 0.046 0.000 0.982 464 E CA 0.738 57.150 56.400 0.020 0.000 0.809 464 E CB -0.218 29.482 29.700 -0.001 0.000 0.756 464 E HN 0.147 nan 8.360 nan 0.000 0.459 465 L N 1.199 122.416 121.223 -0.010 0.000 2.056 465 L HA -0.079 4.260 4.340 -0.001 0.000 0.207 465 L C 2.157 179.069 176.870 0.070 0.000 1.078 465 L CA 1.594 56.446 54.840 0.021 0.000 0.749 465 L CB -0.610 41.426 42.059 -0.038 0.000 0.901 465 L HN -0.097 nan 8.230 nan 0.000 0.433 466 S N -0.392 115.315 115.700 0.011 0.000 2.370 466 S HA -0.191 4.279 4.470 -0.001 0.000 0.226 466 S C 1.857 176.602 174.600 0.240 0.000 1.033 466 S CA 1.595 59.835 58.200 0.068 0.000 1.011 466 S CB -0.587 62.548 63.200 -0.107 0.000 0.852 466 S HN 0.444 nan 8.310 nan 0.000 0.457 467 L N 0.602 122.013 121.223 0.313 0.000 2.042 467 L HA -0.035 4.304 4.340 -0.001 0.000 0.210 467 L C 1.887 178.870 176.870 0.189 0.000 1.076 467 L CA 1.605 56.629 54.840 0.307 0.000 0.749 467 L CB -0.583 41.633 42.059 0.262 0.000 0.893 467 L HN 0.298 nan 8.230 nan 0.000 0.432 468 F N -0.394 119.533 119.950 -0.040 0.000 2.451 468 F HA -0.129 4.398 4.527 -0.001 0.000 0.299 468 F C 2.199 177.917 175.800 -0.137 0.000 1.101 468 F CA 0.810 58.672 58.000 -0.230 0.000 1.436 468 F CB -0.217 38.682 39.000 -0.170 0.000 1.074 468 F HN 0.236 nan 8.300 nan 0.000 0.553 469 Q N -0.371 119.394 119.800 -0.059 0.000 2.437 469 Q HA -0.155 4.184 4.340 -0.001 0.000 0.210 469 Q C 0.575 176.514 176.000 -0.100 0.000 0.972 469 Q CA 0.524 56.269 55.803 -0.095 0.000 0.903 469 Q CB -1.326 27.426 28.738 0.022 0.000 0.967 469 Q HN 0.518 nan 8.270 nan 0.000 0.486 470 H N 1.951 120.911 119.070 -0.183 0.000 3.073 470 H HA -0.114 4.442 4.556 -0.001 0.000 0.340 470 H C 1.334 176.513 175.328 -0.247 0.000 1.054 470 H CA 0.748 56.687 56.048 -0.182 0.000 1.372 470 H CB 0.553 30.224 29.762 -0.152 0.000 1.314 470 H HN 0.241 nan 8.280 nan 0.000 0.603 471 H N 1.994 120.631 119.070 -0.722 0.000 2.563 471 H HA -0.014 4.542 4.556 -0.001 0.000 0.272 471 H C -0.305 174.590 175.328 -0.722 0.000 1.005 471 H CA 0.733 56.331 56.048 -0.749 0.000 1.171 471 H CB 0.284 29.619 29.762 -0.713 0.000 1.351 471 H HN 0.612 nan 8.280 nan 0.000 0.602 472 D N 0.351 120.052 120.400 -1.164 0.000 2.469 472 D HA 0.127 4.766 4.640 -0.001 0.000 0.215 472 D C 1.631 177.912 176.300 -0.030 0.000 1.154 472 D CA 0.319 54.177 54.000 -0.237 0.000 0.832 472 D CB 0.841 41.735 40.800 0.158 0.000 1.008 472 D HN 0.530 nan 8.370 nan 0.000 0.506 473 G N 1.258 109.821 108.800 -0.394 0.000 2.600 473 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.225 473 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.225 473 G C 1.363 175.660 174.900 -1.005 0.000 1.623 473 G CA -0.203 44.394 45.100 -0.838 0.000 0.903 473 G HN 0.195 nan 8.290 nan 0.000 0.574 474 I N 1.976 121.673 120.570 -1.454 0.000 2.423 474 I HA -0.200 3.969 4.170 -0.001 0.000 0.254 474 I C 2.933 178.948 176.117 -0.170 0.000 1.151 474 I CA 2.117 62.884 61.300 -0.888 0.000 1.421 474 I CB -0.068 37.594 38.000 -0.564 0.000 1.079 474 I HN 0.386 nan 8.210 nan 0.000 0.431 475 T N -1.531 112.974 114.554 -0.081 0.000 2.977 475 T HA -0.017 4.332 4.350 -0.001 0.000 0.271 475 T C 1.552 176.398 174.700 0.244 0.000 1.105 475 T CA 0.701 62.944 62.100 0.237 0.000 1.116 475 T CB -0.646 68.367 68.868 0.242 0.000 0.878 475 T HN 0.666 nan 8.240 nan 0.000 0.509 476 G N 1.378 110.276 108.800 0.162 0.000 2.198 476 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.257 476 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.257 476 G C 0.537 175.511 174.900 0.124 0.000 1.042 476 G CA 0.677 45.893 45.100 0.193 0.000 0.791 476 G HN 1.201 nan 8.290 nan 0.000 0.502 477 T N -3.503 111.126 114.554 0.126 0.000 3.228 477 T HA 0.740 5.090 4.350 -0.001 0.000 0.278 477 T C 0.820 175.730 174.700 0.349 0.000 1.014 477 T CA 1.019 63.139 62.100 0.034 0.000 0.904 477 T CB 0.981 69.744 68.868 -0.175 0.000 1.110 477 T HN 1.576 nan 8.240 nan 0.000 0.541 478 A N 1.294 124.324 122.820 0.350 0.000 2.281 478 A HA 0.693 5.013 4.320 -0.001 0.000 0.329 478 A C 0.189 177.871 177.584 0.163 0.000 1.122 478 A CA -0.946 51.325 52.037 0.390 0.000 0.850 478 A CB 0.870 20.139 19.000 0.449 0.000 1.207 478 A HN 0.408 nan 8.150 nan 0.000 0.495 479 K N -0.078 120.345 120.400 0.038 0.000 2.336 479 K HA 0.122 4.442 4.320 -0.001 0.000 0.262 479 K C 1.087 177.690 176.600 0.004 0.000 0.992 479 K CA 0.406 56.692 56.287 -0.001 0.000 0.927 479 K CB 0.325 32.812 32.500 -0.022 0.000 0.956 479 K HN 0.744 nan 8.250 nan 0.000 0.495 480 T N 1.390 115.976 114.554 0.055 0.000 2.653 480 T HA -0.211 4.138 4.350 -0.001 0.000 0.268 480 T C 1.684 176.415 174.700 0.051 0.000 1.035 480 T CA 1.879 64.016 62.100 0.062 0.000 1.154 480 T CB -0.428 68.484 68.868 0.073 0.000 0.862 480 T HN 0.698 nan 8.240 nan 0.000 0.441 481 H N 0.553 119.612 119.070 -0.018 0.000 2.491 481 H HA 0.081 4.637 4.556 -0.001 0.000 0.290 481 H C 2.027 177.325 175.328 -0.051 0.000 1.050 481 H CA 0.954 56.983 56.048 -0.031 0.000 1.309 481 H CB -0.755 28.981 29.762 -0.044 0.000 1.392 481 H HN 0.282 nan 8.280 nan 0.000 0.554 482 V N 1.178 120.753 119.914 -0.565 0.000 2.407 482 V HA -0.163 3.956 4.120 -0.001 0.000 0.245 482 V C 3.047 178.961 176.094 -0.300 0.000 1.041 482 V CA 1.066 63.060 62.300 -0.509 0.000 1.040 482 V CB -0.431 31.131 31.823 -0.435 0.000 0.671 482 V HN 0.229 nan 8.190 nan 0.000 0.455 483 V N 0.090 119.960 119.914 -0.072 0.000 2.332 483 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 483 V C 2.469 178.544 176.094 -0.031 0.000 1.055 483 V CA 2.054 64.367 62.300 0.022 0.000 1.038 483 V CB -0.581 31.218 31.823 -0.040 0.000 0.651 483 V HN 0.418 nan 8.190 nan 0.000 0.450 484 V N 0.359 120.261 119.914 -0.019 0.000 2.343 484 V HA -0.304 3.815 4.120 -0.001 0.000 0.247 484 V C 2.298 178.407 176.094 0.025 0.000 1.051 484 V CA 2.425 64.744 62.300 0.031 0.000 1.036 484 V CB -0.702 31.149 31.823 0.046 0.000 0.654 484 V HN 0.646 nan 8.190 nan 0.000 0.451 485 D N -1.002 119.370 120.400 -0.046 0.000 2.097 485 D HA -0.207 4.432 4.640 -0.001 0.000 0.195 485 D C 2.009 178.316 176.300 0.013 0.000 0.989 485 D CA 1.532 55.501 54.000 -0.053 0.000 0.827 485 D CB -0.172 40.541 40.800 -0.146 0.000 0.966 485 D HN 0.486 nan 8.370 nan 0.000 0.456 486 Y N 1.003 121.338 120.300 0.060 0.000 2.181 486 Y HA -0.076 4.473 4.550 -0.001 0.000 0.288 486 Y C 2.439 178.307 175.900 -0.054 0.000 1.146 486 Y CA 1.309 59.439 58.100 0.050 0.000 1.164 486 Y CB -0.767 37.793 38.460 0.167 0.000 0.982 486 Y HN 0.156 nan 8.280 nan 0.000 0.515 487 E N 0.088 120.378 120.200 0.150 0.000 2.051 487 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 487 E C 2.012 178.681 176.600 0.115 0.000 0.991 487 E CA 1.435 57.937 56.400 0.169 0.000 0.799 487 E CB -0.057 29.829 29.700 0.310 0.000 0.748 487 E HN 0.576 nan 8.360 nan 0.000 0.449 488 Q N -0.060 119.797 119.800 0.096 0.000 2.084 488 Q HA -0.164 4.176 4.340 -0.001 0.000 0.202 488 Q C 2.341 178.372 176.000 0.053 0.000 0.978 488 Q CA 1.405 57.249 55.803 0.069 0.000 0.844 488 Q CB -0.083 28.689 28.738 0.057 0.000 0.898 488 Q HN 0.200 nan 8.270 nan 0.000 0.426 489 R N 0.093 120.628 120.500 0.059 0.000 2.073 489 R HA -0.075 4.265 4.340 -0.001 0.000 0.234 489 R C 2.280 178.587 176.300 0.012 0.000 1.134 489 R CA 1.476 57.603 56.100 0.046 0.000 0.952 489 R CB -0.183 30.169 30.300 0.085 0.000 0.850 489 R HN 0.294 nan 8.270 nan 0.000 0.433 490 M N 0.021 119.614 119.600 -0.012 0.000 2.229 490 M HA -0.172 4.308 4.480 -0.001 0.000 0.264 490 M C 2.293 178.560 176.300 -0.056 0.000 1.063 490 M CA 1.337 56.591 55.300 -0.077 0.000 1.114 490 M CB -0.130 32.362 32.600 -0.181 0.000 1.387 490 M HN 0.047 nan 8.290 nan 0.000 0.420 491 Q N 0.935 120.738 119.800 0.005 0.000 2.084 491 Q HA -0.163 4.177 4.340 -0.001 0.000 0.202 491 Q C 1.731 177.734 176.000 0.005 0.000 0.978 491 Q CA 1.630 57.448 55.803 0.025 0.000 0.844 491 Q CB -0.102 28.676 28.738 0.066 0.000 0.898 491 Q HN 0.328 nan 8.270 nan 0.000 0.426 492 E N -0.109 120.095 120.200 0.005 0.000 2.077 492 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 492 E C 1.824 178.415 176.600 -0.015 0.000 0.989 492 E CA 1.187 57.587 56.400 0.001 0.000 0.800 492 E CB -0.484 29.219 29.700 0.005 0.000 0.746 492 E HN 0.456 nan 8.360 nan 0.000 0.452 493 A N 1.119 123.920 122.820 -0.031 0.000 1.902 493 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 493 A C 2.405 179.959 177.584 -0.050 0.000 1.181 493 A CA 1.072 53.081 52.037 -0.047 0.000 0.623 493 A CB -0.711 18.250 19.000 -0.065 0.000 0.818 493 A HN 0.188 nan 8.150 nan 0.000 0.443 494 L N -0.743 120.431 121.223 -0.082 0.000 2.046 494 L HA -0.215 4.125 4.340 -0.001 0.000 0.208 494 L C 2.600 179.474 176.870 0.007 0.000 1.077 494 L CA 1.743 56.516 54.840 -0.110 0.000 0.747 494 L CB -0.384 41.547 42.059 -0.213 0.000 0.896 494 L HN 0.366 nan 8.230 nan 0.000 0.432 495 K N -0.198 120.208 120.400 0.009 0.000 2.097 495 K HA -0.127 4.193 4.320 -0.001 0.000 0.205 495 K C 2.228 178.847 176.600 0.031 0.000 1.050 495 K CA 1.243 57.548 56.287 0.031 0.000 0.938 495 K CB -0.230 32.281 32.500 0.018 0.000 0.718 495 K HN 0.284 nan 8.250 nan 0.000 0.442 496 A N 1.140 123.967 122.820 0.010 0.000 1.877 496 A HA -0.192 4.128 4.320 -0.001 0.000 0.216 496 A C 2.430 180.018 177.584 0.007 0.000 1.186 496 A CA 1.517 53.551 52.037 -0.004 0.000 0.620 496 A CB -1.012 17.973 19.000 -0.025 0.000 0.822 496 A HN 0.406 nan 8.150 nan 0.000 0.443 497 C N -0.918 118.403 119.300 0.035 0.000 2.432 497 C HA -0.146 4.314 4.460 -0.001 0.000 0.277 497 C C 2.918 177.968 174.990 0.099 0.000 1.249 497 C CA 1.227 60.285 59.018 0.067 0.000 1.725 497 C CB -1.493 26.338 27.740 0.151 0.000 2.028 497 C HN 0.686 nan 8.230 nan 0.000 0.477 498 Q N -0.173 119.717 119.800 0.150 0.000 2.061 498 Q HA -0.275 4.064 4.340 -0.001 0.000 0.204 498 Q C 2.198 178.275 176.000 0.127 0.000 0.984 498 Q CA 1.911 57.807 55.803 0.154 0.000 0.846 498 Q CB -0.350 28.482 28.738 0.158 0.000 0.902 498 Q HN 0.641 nan 8.270 nan 0.000 0.421 499 M N 0.251 119.897 119.600 0.076 0.000 2.080 499 M HA -0.150 4.330 4.480 -0.001 0.000 0.260 499 M C 1.919 178.241 176.300 0.037 0.000 1.068 499 M CA 1.566 56.902 55.300 0.059 0.000 1.109 499 M CB -0.351 32.263 32.600 0.024 0.000 1.342 499 M HN 0.016 nan 8.290 nan 0.000 0.405 500 V N 0.211 120.111 119.914 -0.024 0.000 2.307 500 V HA -0.300 3.819 4.120 -0.001 0.000 0.245 500 V C 2.426 178.485 176.094 -0.059 0.000 1.045 500 V CA 2.201 64.429 62.300 -0.120 0.000 1.024 500 V CB -0.707 31.020 31.823 -0.161 0.000 0.651 500 V HN 0.561 nan 8.190 nan 0.000 0.449 501 M N 0.307 119.926 119.600 0.031 0.000 2.080 501 M HA -0.278 4.201 4.480 -0.001 0.000 0.260 501 M C 2.378 178.731 176.300 0.089 0.000 1.068 501 M CA 2.510 57.864 55.300 0.090 0.000 1.109 501 M CB -0.500 32.242 32.600 0.236 0.000 1.342 501 M HN 0.551 nan 8.290 nan 0.000 0.405 502 Q N -0.270 119.667 119.800 0.228 0.000 2.123 502 Q HA -0.120 4.220 4.340 -0.001 0.000 0.199 502 Q C 1.814 177.996 176.000 0.302 0.000 0.966 502 Q CA 1.123 57.082 55.803 0.261 0.000 0.845 502 Q CB -0.611 28.393 28.738 0.443 0.000 0.907 502 Q HN 0.415 nan 8.270 nan 0.000 0.439 503 Q N 0.611 120.578 119.800 0.278 0.000 2.084 503 Q HA -0.074 4.266 4.340 -0.001 0.000 0.202 503 Q C 2.278 178.526 176.000 0.413 0.000 0.978 503 Q CA 1.754 57.792 55.803 0.392 0.000 0.844 503 Q CB -0.244 28.639 28.738 0.241 0.000 0.898 503 Q HN 0.514 nan 8.270 nan 0.000 0.426 504 S N 0.387 116.219 115.700 0.220 0.000 2.368 504 S HA -0.091 4.379 4.470 -0.001 0.000 0.224 504 S C 2.228 176.871 174.600 0.072 0.000 1.029 504 S CA 1.066 59.438 58.200 0.287 0.000 0.988 504 S CB -0.242 63.059 63.200 0.168 0.000 0.838 504 S HN 0.132 nan 8.310 nan 0.000 0.462 505 V N 1.002 120.831 119.914 -0.141 0.000 2.287 505 V HA -0.209 3.911 4.120 -0.001 0.000 0.248 505 V C 2.030 178.117 176.094 -0.012 0.000 1.053 505 V CA 1.960 64.058 62.300 -0.337 0.000 1.027 505 V CB -0.823 30.381 31.823 -1.033 0.000 0.646 505 V HN 0.551 nan 8.190 nan 0.000 0.447 506 Y N 1.369 121.734 120.300 0.108 0.000 2.128 506 Y HA -0.276 4.274 4.550 -0.001 0.000 0.284 506 Y C 2.743 178.716 175.900 0.122 0.000 1.154 506 Y CA 2.282 60.524 58.100 0.236 0.000 1.149 506 Y CB -0.423 38.067 38.460 0.049 0.000 0.976 506 Y HN 0.105 nan 8.280 nan 0.000 0.505 507 R N -0.180 120.221 120.500 -0.164 0.000 2.092 507 R HA -0.088 4.252 4.340 -0.001 0.000 0.231 507 R C 2.172 178.150 176.300 -0.537 0.000 1.119 507 R CA 1.513 57.151 56.100 -0.770 0.000 0.970 507 R CB -0.348 29.491 30.300 -0.768 0.000 0.864 507 R HN 0.460 nan 8.270 nan 0.000 0.440 508 L N 0.204 121.265 121.223 -0.270 0.000 2.291 508 L HA -0.041 4.298 4.340 -0.001 0.000 0.214 508 L C 1.361 178.113 176.870 -0.197 0.000 1.120 508 L CA 0.736 55.385 54.840 -0.319 0.000 0.799 508 L CB 0.166 41.876 42.059 -0.580 0.000 0.925 508 L HN 0.230 nan 8.230 nan 0.000 0.446 509 L N -1.306 119.903 121.223 -0.024 0.000 3.122 509 L HA 0.225 4.565 4.340 -0.001 0.000 0.274 509 L C -0.232 176.720 176.870 0.136 0.000 1.222 509 L CA -0.098 54.816 54.840 0.122 0.000 1.028 509 L CB 0.605 42.880 42.059 0.360 0.000 1.386 509 L HN -0.013 nan 8.230 nan 0.000 0.578 510 T N 0.109 114.669 114.554 0.008 0.000 2.829 510 T HA 0.185 4.535 4.350 -0.001 0.000 0.280 510 T C -0.113 174.523 174.700 -0.106 0.000 0.999 510 T CA -0.558 61.536 62.100 -0.010 0.000 0.983 510 T CB 2.360 71.219 68.868 -0.015 0.000 0.968 510 T HN 0.012 nan 8.240 nan 0.000 0.446 511 K N 3.847 124.198 120.400 -0.081 0.000 2.504 511 K HA -0.026 4.294 4.320 -0.001 0.000 0.278 511 K C -1.724 174.848 176.600 -0.048 0.000 1.025 511 K CA -1.040 55.206 56.287 -0.069 0.000 1.093 511 K CB 0.420 32.886 32.500 -0.057 0.000 0.873 511 K HN 0.185 nan 8.250 nan 0.000 0.483 512 P HA -0.203 nan 4.420 nan 0.000 0.216 512 P C 0.789 178.098 177.300 0.015 0.000 1.153 512 P CA 1.509 64.581 63.100 -0.047 0.000 0.858 512 P CB 0.164 31.832 31.700 -0.053 0.000 0.789 513 S N -2.267 113.437 115.700 0.006 0.000 2.607 513 S HA 0.057 4.526 4.470 -0.001 0.000 0.224 513 S C 1.662 176.277 174.600 0.025 0.000 0.969 513 S CA 0.467 58.675 58.200 0.014 0.000 0.927 513 S CB -1.104 62.097 63.200 0.002 0.000 0.772 513 S HN 0.103 nan 8.310 nan 0.000 0.533 514 I N -0.720 119.873 120.570 0.039 0.000 3.339 514 I HA 0.198 4.367 4.170 -0.001 0.000 0.285 514 I C 0.627 176.801 176.117 0.094 0.000 1.201 514 I CA -0.365 60.969 61.300 0.057 0.000 1.434 514 I CB -0.076 37.956 38.000 0.055 0.000 1.152 514 I HN 0.260 nan 8.210 nan 0.000 0.443 515 Y N 2.742 122.998 120.300 -0.074 0.000 2.802 515 Y HA -0.063 4.486 4.550 -0.001 0.000 0.333 515 Y C 0.463 176.337 175.900 -0.044 0.000 1.244 515 Y CA 0.078 58.087 58.100 -0.152 0.000 1.558 515 Y CB 0.384 38.673 38.460 -0.285 0.000 1.233 515 Y HN -0.120 nan 8.280 nan 0.000 0.547 516 S N 8.772 124.279 115.700 -0.321 0.000 2.293 516 S HA 0.352 4.821 4.470 -0.001 0.000 0.154 516 S C -2.876 171.547 174.600 -0.295 0.000 1.602 516 S CA -1.199 56.824 58.200 -0.294 0.000 1.260 516 S CB -0.056 63.090 63.200 -0.092 0.000 1.270 516 S HN 0.636 nan 8.310 nan 0.000 0.416 517 P HA 0.324 nan 4.420 nan 0.000 0.279 517 P C -1.113 175.935 177.300 -0.419 0.000 1.239 517 P CA -0.203 62.676 63.100 -0.368 0.000 0.789 517 P CB 0.845 32.232 31.700 -0.521 0.000 0.933 518 D N 2.301 122.645 120.400 -0.094 0.000 2.392 518 D HA 0.153 4.792 4.640 -0.001 0.000 0.228 518 D C 0.232 176.560 176.300 0.047 0.000 1.074 518 D CA -0.674 53.248 54.000 -0.130 0.000 0.838 518 D CB 0.219 40.965 40.800 -0.090 0.000 1.067 518 D HN 0.053 nan 8.370 nan 0.000 0.511 519 F N 1.640 121.707 119.950 0.196 0.000 2.699 519 F HA -0.044 4.483 4.527 -0.001 0.000 0.298 519 F C 2.441 178.322 175.800 0.135 0.000 1.154 519 F CA 0.487 58.604 58.000 0.195 0.000 1.457 519 F CB -0.400 38.695 39.000 0.158 0.000 1.106 519 F HN 0.373 nan 8.300 nan 0.000 0.585 520 S N -1.629 114.217 115.700 0.244 0.000 2.535 520 S HA 0.090 4.560 4.470 -0.001 0.000 0.214 520 S C 0.370 175.026 174.600 0.094 0.000 0.980 520 S CA -0.379 57.908 58.200 0.146 0.000 0.907 520 S CB -0.631 62.632 63.200 0.106 0.000 0.790 520 S HN 0.106 nan 8.310 nan 0.000 0.510 521 F N 2.842 122.735 119.950 -0.094 0.000 2.379 521 F HA 0.597 5.124 4.527 -0.001 0.000 0.332 521 F C -0.075 175.526 175.800 -0.333 0.000 1.096 521 F CA -0.739 57.076 58.000 -0.307 0.000 1.105 521 F CB 1.591 40.240 39.000 -0.585 0.000 1.189 521 F HN -0.066 nan 8.300 nan 0.000 0.515 522 S N 5.940 120.942 115.700 -1.163 0.000 2.464 522 S HA 0.145 4.615 4.470 -0.001 0.000 0.313 522 S C 0.367 174.335 174.600 -1.052 0.000 1.078 522 S CA -0.348 57.377 58.200 -0.791 0.000 1.096 522 S CB -0.186 62.701 63.200 -0.522 0.000 1.032 522 S HN 0.660 nan 8.310 nan 0.000 0.498 523 Y N 1.670 121.732 120.300 -0.397 0.000 2.314 523 Y HA 0.129 4.678 4.550 -0.001 0.000 0.293 523 Y C 0.371 175.715 175.900 -0.926 0.000 1.129 523 Y CA 0.797 58.544 58.100 -0.589 0.000 1.201 523 Y CB 0.082 38.258 38.460 -0.474 0.000 0.999 523 Y HN 0.499 nan 8.280 nan 0.000 0.541 524 F N -1.346 118.559 119.950 -0.073 0.000 2.599 524 F HA 0.447 4.973 4.527 -0.001 0.000 0.311 524 F C -0.039 175.791 175.800 0.050 0.000 1.076 524 F CA -1.539 56.483 58.000 0.037 0.000 0.937 524 F CB 1.574 40.739 39.000 0.275 0.000 1.282 524 F HN -0.402 nan 8.300 nan 0.000 0.460 525 T N 0.255 114.961 114.554 0.254 0.000 2.855 525 T HA 0.704 5.054 4.350 -0.001 0.000 0.281 525 T C -0.550 174.258 174.700 0.181 0.000 1.007 525 T CA -0.817 61.382 62.100 0.166 0.000 1.009 525 T CB 1.181 70.091 68.868 0.069 0.000 0.983 525 T HN 0.511 nan 8.240 nan 0.000 0.455 526 L N 1.967 123.231 121.223 0.068 0.000 2.439 526 L HA 0.412 4.751 4.340 -0.001 0.000 0.269 526 L C 0.118 176.980 176.870 -0.013 0.000 1.179 526 L CA -0.280 54.502 54.840 -0.096 0.000 0.828 526 L CB 0.717 42.702 42.059 -0.122 0.000 1.106 526 L HN 0.820 nan 8.230 nan 0.000 0.467 527 D N 1.444 121.812 120.400 -0.053 0.000 2.492 527 D HA 0.215 4.854 4.640 -0.001 0.000 0.248 527 D C -1.273 174.956 176.300 -0.118 0.000 1.101 527 D CA -0.399 53.570 54.000 -0.051 0.000 0.840 527 D CB 1.154 41.955 40.800 0.002 0.000 1.209 527 D HN 0.283 nan 8.370 nan 0.000 0.524 528 D N 2.413 122.770 120.400 -0.072 0.000 2.481 528 D HA 0.195 4.834 4.640 -0.001 0.000 0.246 528 D C 0.086 176.336 176.300 -0.083 0.000 1.109 528 D CA -0.464 53.517 54.000 -0.031 0.000 0.845 528 D CB 1.905 42.794 40.800 0.148 0.000 1.160 528 D HN 0.251 nan 8.370 nan 0.000 0.534 529 S N 2.669 118.292 115.700 -0.128 0.000 2.489 529 S HA 0.025 4.495 4.470 -0.001 0.000 0.228 529 S C 1.339 175.903 174.600 -0.060 0.000 0.995 529 S CA 0.551 58.668 58.200 -0.139 0.000 0.934 529 S CB 0.371 63.478 63.200 -0.156 0.000 0.771 529 S HN 0.495 nan 8.310 nan 0.000 0.522 530 R N -0.666 119.832 120.500 -0.003 0.000 2.549 530 R HA 0.221 4.561 4.340 -0.001 0.000 0.344 530 R C -0.727 175.656 176.300 0.138 0.000 0.979 530 R CA -0.110 56.013 56.100 0.040 0.000 1.140 530 R CB 0.812 31.132 30.300 0.033 0.000 1.377 530 R HN 0.333 nan 8.270 nan 0.000 0.541 531 W N 1.401 122.657 121.300 -0.074 0.000 3.211 531 W HA 0.293 4.952 4.660 -0.001 0.000 0.335 531 W C -2.884 173.590 176.519 -0.075 0.000 1.113 531 W CA -1.950 55.336 57.345 -0.097 0.000 1.235 531 W CB 1.833 31.220 29.460 -0.123 0.000 1.365 531 W HN -0.191 nan 8.180 nan 0.000 0.476 532 P HA 0.095 nan 4.420 nan 0.000 0.226 532 P C 0.356 177.288 177.300 -0.614 0.000 1.153 532 P CA 1.687 63.905 63.100 -1.470 0.000 0.777 532 P CB 0.295 31.358 31.700 -1.061 0.000 0.794 533 G N -1.046 107.568 108.800 -0.310 0.000 2.617 533 G HA2 -0.067 3.893 3.960 -0.001 0.000 0.686 533 G HA3 -0.067 3.893 3.960 -0.001 0.000 0.686 533 G C -0.460 174.388 174.900 -0.086 0.000 1.214 533 G CA -0.493 44.522 45.100 -0.141 0.000 0.796 533 G HN 0.092 nan 8.290 nan 0.000 0.654 534 S N 0.202 115.896 115.700 -0.011 0.000 2.544 534 S HA 0.509 4.978 4.470 -0.001 0.000 0.290 534 S C 1.859 176.482 174.600 0.038 0.000 1.276 534 S CA 2.043 60.274 58.200 0.051 0.000 1.075 534 S CB 0.156 63.425 63.200 0.117 0.000 0.849 534 S HN 2.715 nan 8.310 nan 0.000 0.494 535 G N 2.824 111.651 108.800 0.045 0.000 2.199 535 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.254 535 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.254 535 G C 0.582 175.476 174.900 -0.011 0.000 0.982 535 G CA 0.343 45.466 45.100 0.039 0.000 0.632 535 G HN 0.887 nan 8.290 nan 0.000 0.529 536 V N -0.425 119.458 119.914 -0.052 0.000 2.721 536 V HA 0.443 4.563 4.120 -0.001 0.000 0.236 536 V C 0.842 176.875 176.094 -0.102 0.000 1.116 536 V CA 1.717 63.963 62.300 -0.090 0.000 1.148 536 V CB 0.858 32.590 31.823 -0.151 0.000 0.886 536 V HN 0.458 nan 8.190 nan 0.000 0.490 537 E N 0.037 120.165 120.200 -0.120 0.000 2.308 537 E HA 0.221 4.570 4.350 -0.001 0.000 0.275 537 E C -1.696 174.869 176.600 -0.059 0.000 0.890 537 E CA -0.580 55.760 56.400 -0.099 0.000 0.754 537 E CB 1.909 31.520 29.700 -0.149 0.000 1.207 537 E HN 0.157 nan 8.360 nan 0.000 0.426 538 D N 2.327 122.712 120.400 -0.026 0.000 2.453 538 D HA 0.096 4.736 4.640 -0.001 0.000 0.223 538 D C 0.275 176.577 176.300 0.002 0.000 1.183 538 D CA 0.226 54.231 54.000 0.009 0.000 0.933 538 D CB 0.577 41.387 40.800 0.017 0.000 1.038 538 D HN 0.412 nan 8.370 nan 0.000 0.513 539 S N 2.429 118.124 115.700 -0.009 0.000 2.554 539 S HA 0.200 4.669 4.470 -0.001 0.000 0.227 539 S C 0.923 175.520 174.600 -0.004 0.000 1.050 539 S CA -0.421 57.767 58.200 -0.019 0.000 0.927 539 S CB 0.643 63.810 63.200 -0.055 0.000 0.859 539 S HN 0.201 nan 8.310 nan 0.000 0.494 540 R N 2.868 123.365 120.500 -0.005 0.000 2.490 540 R HA 0.412 4.751 4.340 -0.001 0.000 0.280 540 R C -0.032 176.301 176.300 0.056 0.000 1.077 540 R CA 0.241 56.322 56.100 -0.033 0.000 1.065 540 R CB 0.684 30.847 30.300 -0.228 0.000 1.003 540 R HN 0.472 nan 8.270 nan 0.000 0.470 541 T N -0.747 113.843 114.554 0.061 0.000 2.856 541 T HA 0.178 4.527 4.350 -0.001 0.000 0.292 541 T C 0.266 175.071 174.700 0.174 0.000 0.980 541 T CA -0.770 61.393 62.100 0.104 0.000 1.091 541 T CB 1.329 70.248 68.868 0.085 0.000 0.936 541 T HN 0.351 nan 8.240 nan 0.000 0.503 542 T N 3.978 118.646 114.554 0.189 0.000 2.832 542 T HA 0.347 4.697 4.350 -0.001 0.000 0.296 542 T C 0.554 175.359 174.700 0.175 0.000 0.968 542 T CA -0.488 61.745 62.100 0.221 0.000 1.107 542 T CB 0.130 69.089 68.868 0.152 0.000 0.916 542 T HN 0.575 nan 8.240 nan 0.000 0.517 543 I N 4.088 124.780 120.570 0.204 0.000 2.421 543 I HA 0.192 4.362 4.170 -0.001 0.000 0.291 543 I C 0.179 176.381 176.117 0.142 0.000 1.089 543 I CA -0.017 61.382 61.300 0.165 0.000 1.354 543 I CB 0.168 38.269 38.000 0.167 0.000 1.413 543 I HN 0.454 nan 8.210 nan 0.000 0.513 544 I N 8.079 128.718 120.570 0.114 0.000 2.297 544 I HA 0.332 4.502 4.170 -0.001 0.000 0.291 544 I C -0.183 175.992 176.117 0.098 0.000 1.033 544 I CA -0.200 61.159 61.300 0.098 0.000 1.253 544 I CB 0.531 38.576 38.000 0.075 0.000 1.396 544 I HN 0.389 nan 8.210 nan 0.000 0.476 545 L N 5.729 127.014 121.223 0.102 0.000 2.323 545 L HA 0.968 5.307 4.340 -0.001 0.000 0.265 545 L C 0.103 177.028 176.870 0.091 0.000 1.012 545 L CA -0.725 54.175 54.840 0.100 0.000 0.820 545 L CB 2.225 44.349 42.059 0.109 0.000 1.334 545 L HN 0.698 nan 8.230 nan 0.000 0.427 546 G N -0.079 108.772 108.800 0.084 0.000 2.429 546 G HA2 0.099 4.059 3.960 -0.001 0.000 0.300 546 G HA3 0.099 4.059 3.960 -0.001 0.000 0.300 546 G C -0.240 174.701 174.900 0.068 0.000 1.598 546 G CA -0.468 44.678 45.100 0.077 0.000 0.863 546 G HN 0.691 nan 8.290 nan 0.000 0.614 547 E N -0.106 120.132 120.200 0.064 0.000 2.160 547 E HA -0.139 4.210 4.350 -0.001 0.000 0.195 547 E C 0.711 177.339 176.600 0.046 0.000 0.991 547 E CA 1.367 57.799 56.400 0.053 0.000 0.810 547 E CB 0.162 29.890 29.700 0.047 0.000 0.742 547 E HN 0.444 nan 8.360 nan 0.000 0.466 548 D N -0.296 120.131 120.400 0.045 0.000 2.342 548 D HA 0.106 4.745 4.640 -0.001 0.000 0.221 548 D C 1.167 177.491 176.300 0.040 0.000 1.101 548 D CA 0.144 54.167 54.000 0.038 0.000 0.837 548 D CB 0.851 41.671 40.800 0.034 0.000 0.938 548 D HN 0.327 nan 8.370 nan 0.000 0.508 549 I N -0.910 119.689 120.570 0.047 0.000 4.420 549 I HA 0.120 4.289 4.170 -0.001 0.000 0.292 549 I C -1.340 174.811 176.117 0.058 0.000 1.153 549 I CA 0.063 61.392 61.300 0.049 0.000 1.315 549 I CB 1.277 39.306 38.000 0.049 0.000 1.616 549 I HN -0.179 nan 8.210 nan 0.000 0.450 550 L N 2.026 123.289 121.223 0.067 0.000 2.830 550 L HA 0.447 4.787 4.340 -0.001 0.000 0.259 550 L C -2.518 174.403 176.870 0.085 0.000 0.943 550 L CA -0.845 54.042 54.840 0.079 0.000 0.997 550 L CB 1.620 43.733 42.059 0.089 0.000 1.427 550 L HN -0.160 nan 8.230 nan 0.000 0.456 551 P HA 0.063 nan 4.420 nan 0.000 0.222 551 P C -0.159 177.197 177.300 0.092 0.000 1.153 551 P CA 0.864 64.013 63.100 0.081 0.000 0.798 551 P CB 0.378 32.119 31.700 0.069 0.000 0.796 552 S N -2.209 113.557 115.700 0.110 0.000 2.625 552 S HA 0.721 5.190 4.470 -0.001 0.000 0.271 552 S C -1.278 173.426 174.600 0.174 0.000 1.161 552 S CA -0.735 57.539 58.200 0.124 0.000 0.820 552 S CB 2.479 65.747 63.200 0.114 0.000 1.137 552 S HN -0.123 nan 8.310 nan 0.000 0.470 553 K N 0.624 121.137 120.400 0.188 0.000 2.535 553 K HA 0.558 4.878 4.320 -0.001 0.000 0.251 553 K C -1.991 174.788 176.600 0.298 0.000 0.942 553 K CA -0.236 56.206 56.287 0.258 0.000 0.798 553 K CB 0.879 33.487 32.500 0.179 0.000 1.267 553 K HN 0.839 nan 8.250 nan 0.000 0.434 554 H N 0.952 120.162 119.070 0.233 0.000 2.610 554 H HA 0.425 4.981 4.556 -0.001 0.000 0.336 554 H C -0.146 175.402 175.328 0.367 0.000 1.087 554 H CA -0.113 56.119 56.048 0.307 0.000 1.405 554 H CB 0.947 30.975 29.762 0.444 0.000 1.460 554 H HN 0.398 nan 8.280 nan 0.000 0.538 555 V N 1.013 121.165 119.914 0.398 0.000 2.914 555 V HA 0.790 4.910 4.120 -0.001 0.000 0.314 555 V C -0.695 175.719 176.094 0.534 0.000 1.084 555 V CA -0.871 61.664 62.300 0.391 0.000 0.963 555 V CB 2.132 33.926 31.823 -0.048 0.000 1.025 555 V HN 0.456 nan 8.190 nan 0.000 0.432 556 V N 3.766 124.016 119.914 0.561 0.000 2.638 556 V HA 0.626 4.745 4.120 -0.001 0.000 0.306 556 V C -0.493 175.937 176.094 0.560 0.000 1.052 556 V CA -0.370 62.224 62.300 0.489 0.000 0.885 556 V CB 1.852 33.815 31.823 0.233 0.000 0.999 556 V HN 0.944 nan 8.190 nan 0.000 0.424 557 M N 4.038 123.939 119.600 0.502 0.000 2.336 557 M HA 0.491 4.971 4.480 -0.001 0.000 0.342 557 M C -0.482 176.067 176.300 0.416 0.000 1.128 557 M CA -0.267 55.300 55.300 0.445 0.000 1.016 557 M CB 1.167 33.978 32.600 0.351 0.000 1.665 557 M HN 0.750 nan 8.290 nan 0.000 0.445 558 H N 1.969 121.233 119.070 0.323 0.000 2.469 558 H HA 0.476 5.032 4.556 -0.001 0.000 0.342 558 H C -1.320 174.115 175.328 0.178 0.000 1.115 558 H CA -0.568 55.634 56.048 0.257 0.000 1.204 558 H CB 1.165 31.135 29.762 0.346 0.000 1.492 558 H HN 0.649 nan 8.280 nan 0.000 0.499 559 N N 3.100 121.560 118.700 -0.400 0.000 2.569 559 N HA 0.037 4.776 4.740 -0.001 0.000 0.254 559 N C 0.323 175.494 175.510 -0.565 0.000 1.004 559 N CA -0.308 52.516 53.050 -0.376 0.000 0.904 559 N CB 1.579 39.953 38.487 -0.188 0.000 1.165 559 N HN 0.632 nan 8.380 nan 0.000 0.513 560 T N 2.879 117.150 114.554 -0.472 0.000 3.035 560 T HA 0.163 4.513 4.350 -0.001 0.000 0.268 560 T C 0.689 175.349 174.700 -0.066 0.000 1.109 560 T CA 0.499 62.487 62.100 -0.186 0.000 1.119 560 T CB -0.237 68.670 68.868 0.065 0.000 0.900 560 T HN 0.417 nan 8.240 nan 0.000 0.503 561 L N 2.751 123.884 121.223 -0.150 0.000 2.417 561 L HA 0.313 4.652 4.340 -0.001 0.000 0.268 561 L C -1.629 175.097 176.870 -0.240 0.000 1.158 561 L CA -1.928 52.790 54.840 -0.203 0.000 0.819 561 L CB 0.681 42.492 42.059 -0.413 0.000 1.112 561 L HN -0.043 nan 8.230 nan 0.000 0.458 562 P HA 0.061 nan 4.420 nan 0.000 0.235 562 P C -0.995 176.318 177.300 0.021 0.000 1.725 562 P CA 0.285 63.370 63.100 -0.025 0.000 0.894 562 P CB -0.351 31.391 31.700 0.070 0.000 1.704 563 H N -3.127 115.956 119.070 0.022 0.000 3.012 563 H HA 0.240 4.795 4.556 -0.001 0.000 0.367 563 H C -1.017 174.332 175.328 0.035 0.000 1.211 563 H CA -1.076 55.005 56.048 0.055 0.000 1.139 563 H CB 0.021 29.843 29.762 0.101 0.000 1.838 563 H HN -0.129 nan 8.280 nan 0.000 0.550 564 W N 1.818 123.220 121.300 0.171 0.000 2.314 564 W HA 0.196 4.856 4.660 -0.001 0.000 0.339 564 W C 0.914 177.535 176.519 0.169 0.000 1.293 564 W CA 0.465 57.879 57.345 0.115 0.000 1.288 564 W CB 0.411 29.924 29.460 0.089 0.000 1.186 564 W HN 0.503 nan 8.180 nan 0.000 0.566 565 R N 2.377 123.073 120.500 0.326 0.000 2.621 565 R HA 0.301 4.640 4.340 -0.001 0.000 0.284 565 R C -1.014 175.416 176.300 0.216 0.000 0.998 565 R CA -0.676 55.573 56.100 0.248 0.000 0.895 565 R CB 1.404 31.778 30.300 0.124 0.000 1.195 565 R HN 0.494 nan 8.270 nan 0.000 0.450 566 E N 2.423 122.729 120.200 0.176 0.000 2.191 566 E HA 0.256 4.605 4.350 -0.001 0.000 0.274 566 E C -1.202 175.443 176.600 0.076 0.000 0.948 566 E CA -0.773 55.706 56.400 0.132 0.000 0.802 566 E CB 2.358 32.129 29.700 0.119 0.000 1.137 566 E HN 0.390 nan 8.360 nan 0.000 0.397 567 Q N 2.830 122.652 119.800 0.036 0.000 2.352 567 Q HA 0.250 4.589 4.340 -0.001 0.000 0.270 567 Q C -1.479 174.477 176.000 -0.072 0.000 1.006 567 Q CA -0.590 55.205 55.803 -0.013 0.000 0.880 567 Q CB 1.463 30.184 28.738 -0.028 0.000 1.392 567 Q HN 0.550 nan 8.270 nan 0.000 0.401 568 L N 3.246 124.422 121.223 -0.078 0.000 2.453 568 L HA 0.321 4.661 4.340 -0.001 0.000 0.272 568 L C 0.216 176.950 176.870 -0.227 0.000 1.182 568 L CA -0.268 54.487 54.840 -0.142 0.000 0.858 568 L CB 0.501 42.514 42.059 -0.077 0.000 1.120 568 L HN 0.465 nan 8.230 nan 0.000 0.474 569 V N -0.515 119.158 119.914 -0.402 0.000 2.823 569 V HA 0.694 4.813 4.120 -0.001 0.000 0.312 569 V C -0.907 174.912 176.094 -0.459 0.000 1.072 569 V CA -0.868 61.150 62.300 -0.471 0.000 0.937 569 V CB 2.153 33.645 31.823 -0.551 0.000 1.013 569 V HN 0.795 nan 8.190 nan 0.000 0.430 570 D N 1.732 121.860 120.400 -0.453 0.000 2.575 570 D HA 0.632 5.271 4.640 -0.001 0.000 0.236 570 D C -1.378 174.615 176.300 -0.512 0.000 1.075 570 D CA -0.419 53.426 54.000 -0.258 0.000 0.860 570 D CB 2.439 43.185 40.800 -0.090 0.000 1.475 570 D HN 0.447 nan 8.370 nan 0.000 0.474 571 F N -0.080 119.928 119.950 0.096 0.000 2.588 571 F HA 0.336 4.862 4.527 -0.001 0.000 0.314 571 F C -0.536 175.414 175.800 0.250 0.000 1.069 571 F CA -1.059 57.009 58.000 0.112 0.000 0.931 571 F CB 1.573 40.684 39.000 0.184 0.000 1.260 571 F HN 0.152 nan 8.300 nan 0.000 0.465 572 Y N 2.177 122.636 120.300 0.265 0.000 2.335 572 Y HA 0.545 5.095 4.550 -0.001 0.000 0.331 572 Y C 0.211 176.233 175.900 0.203 0.000 1.094 572 Y CA -1.444 56.762 58.100 0.177 0.000 1.253 572 Y CB 0.818 39.335 38.460 0.095 0.000 1.203 572 Y HN 0.337 nan 8.280 nan 0.000 0.508 573 V N -0.372 119.744 119.914 0.337 0.000 3.040 573 V HA 0.572 4.692 4.120 -0.001 0.000 0.312 573 V C 0.362 176.590 176.094 0.224 0.000 1.115 573 V CA -0.733 61.724 62.300 0.261 0.000 0.998 573 V CB 1.718 33.694 31.823 0.256 0.000 1.042 573 V HN 0.663 nan 8.190 nan 0.000 0.433 574 S N 0.185 115.996 115.700 0.185 0.000 2.593 574 S HA 0.253 4.722 4.470 -0.001 0.000 0.217 574 S C 0.684 175.418 174.600 0.224 0.000 0.966 574 S CA 0.487 58.782 58.200 0.158 0.000 0.914 574 S CB -0.211 63.053 63.200 0.107 0.000 0.776 574 S HN 1.455 nan 8.310 nan 0.000 0.523 575 S N 1.223 117.058 115.700 0.226 0.000 2.546 575 S HA 0.583 5.053 4.470 -0.001 0.000 0.274 575 S C -2.598 171.921 174.600 -0.135 0.000 1.121 575 S CA -1.407 56.821 58.200 0.048 0.000 0.887 575 S CB 1.946 65.169 63.200 0.038 0.000 1.094 575 S HN 0.012 nan 8.310 nan 0.000 0.474 576 P HA 0.178 nan 4.420 nan 0.000 0.236 576 P C -0.177 177.017 177.300 -0.177 0.000 1.177 576 P CA 0.360 63.108 63.100 -0.587 0.000 0.773 576 P CB -0.166 30.898 31.700 -1.059 0.000 0.878 577 F N 0.850 120.815 119.950 0.025 0.000 2.509 577 F HA 0.263 4.790 4.527 -0.001 0.000 0.344 577 F C 0.501 176.346 175.800 0.075 0.000 1.197 577 F CA -1.173 56.870 58.000 0.071 0.000 1.294 577 F CB -0.180 38.829 39.000 0.016 0.000 1.643 577 F HN -0.327 nan 8.300 nan 0.000 0.596 578 V N 0.986 121.039 119.914 0.231 0.000 2.709 578 V HA 0.683 4.803 4.120 -0.001 0.000 0.308 578 V C -0.301 175.860 176.094 0.113 0.000 1.062 578 V CA -0.820 61.571 62.300 0.152 0.000 0.901 578 V CB 2.295 34.200 31.823 0.137 0.000 1.003 578 V HN 0.499 nan 8.190 nan 0.000 0.425 579 S N 3.036 118.782 115.700 0.076 0.000 2.634 579 S HA 0.896 5.365 4.470 -0.001 0.000 0.296 579 S C -1.034 173.546 174.600 -0.032 0.000 1.104 579 S CA -0.819 57.403 58.200 0.038 0.000 0.920 579 S CB 2.114 65.354 63.200 0.068 0.000 1.111 579 S HN 0.445 nan 8.310 nan 0.000 0.493 580 V N 1.840 121.696 119.914 -0.096 0.000 2.555 580 V HA 0.804 4.923 4.120 -0.001 0.000 0.302 580 V C 0.044 176.044 176.094 -0.157 0.000 1.038 580 V CA -0.424 61.738 62.300 -0.230 0.000 0.887 580 V CB 1.564 33.063 31.823 -0.541 0.000 0.991 580 V HN 1.206 nan 8.190 nan 0.000 0.434 581 T N -0.448 114.033 114.554 -0.121 0.000 2.906 581 T HA 0.648 4.998 4.350 -0.001 0.000 0.295 581 T C -0.815 173.870 174.700 -0.024 0.000 1.075 581 T CA -0.913 61.142 62.100 -0.075 0.000 1.005 581 T CB 2.047 70.862 68.868 -0.088 0.000 1.136 581 T HN 0.714 nan 8.240 nan 0.000 0.498 582 D N 0.729 121.092 120.400 -0.061 0.000 2.451 582 D HA 0.199 4.839 4.640 -0.001 0.000 0.259 582 D C 1.059 177.223 176.300 -0.227 0.000 1.201 582 D CA -1.140 52.711 54.000 -0.248 0.000 1.028 582 D CB 0.325 40.975 40.800 -0.250 0.000 1.095 582 D HN 0.308 nan 8.370 nan 0.000 0.539 583 L N -0.300 120.766 121.223 -0.261 0.000 2.465 583 L HA 0.183 4.522 4.340 -0.001 0.000 0.224 583 L C 1.986 178.776 176.870 -0.133 0.000 1.145 583 L CA 1.089 55.815 54.840 -0.189 0.000 0.834 583 L CB -1.011 40.941 42.059 -0.179 0.000 0.944 583 L HN 0.641 nan 8.230 nan 0.000 0.451 584 A N -1.014 121.734 122.820 -0.121 0.000 2.276 584 A HA 0.035 4.355 4.320 -0.001 0.000 0.212 584 A C 1.204 178.741 177.584 -0.077 0.000 1.230 584 A CA 0.592 52.577 52.037 -0.087 0.000 0.844 584 A CB -0.769 18.187 19.000 -0.074 0.000 0.860 584 A HN 0.577 nan 8.150 nan 0.000 0.486 585 N N -0.439 118.208 118.700 -0.089 0.000 2.782 585 N HA -0.144 4.595 4.740 -0.001 0.000 0.251 585 N C -1.011 174.454 175.510 -0.075 0.000 1.101 585 N CA 0.905 53.909 53.050 -0.076 0.000 0.764 585 N CB -1.825 36.628 38.487 -0.057 0.000 1.122 585 N HN 0.572 nan 8.380 nan 0.000 0.561 586 N N 1.161 119.814 118.700 -0.079 0.000 2.470 586 N HA 0.225 4.965 4.740 -0.001 0.000 0.268 586 N C -2.487 172.954 175.510 -0.114 0.000 1.136 586 N CA -0.753 52.246 53.050 -0.084 0.000 0.961 586 N CB 0.572 39.022 38.487 -0.063 0.000 1.067 586 N HN 0.241 nan 8.380 nan 0.000 0.468 587 P HA 0.054 nan 4.420 nan 0.000 0.269 587 P C -0.424 176.740 177.300 -0.227 0.000 1.209 587 P CA -0.054 62.856 63.100 -0.317 0.000 0.776 587 P CB 0.701 31.911 31.700 -0.818 0.000 0.876 588 V N 2.435 122.261 119.914 -0.148 0.000 2.487 588 V HA 0.220 4.340 4.120 -0.001 0.000 0.298 588 V C 0.396 176.483 176.094 -0.011 0.000 1.028 588 V CA -0.823 61.450 62.300 -0.044 0.000 0.860 588 V CB 1.441 33.255 31.823 -0.015 0.000 0.991 588 V HN 0.543 nan 8.190 nan 0.000 0.427 589 E N 2.988 123.223 120.200 0.059 0.000 2.414 589 E HA 0.478 4.827 4.350 -0.001 0.000 0.263 589 E C -0.236 176.433 176.600 0.114 0.000 1.000 589 E CA 0.082 56.547 56.400 0.107 0.000 0.914 589 E CB 0.898 30.665 29.700 0.111 0.000 0.948 589 E HN 0.890 nan 8.360 nan 0.000 0.444 590 A N 4.210 127.086 122.820 0.093 0.000 2.515 590 A HA 0.418 4.738 4.320 -0.001 0.000 0.296 590 A C -1.322 176.280 177.584 0.029 0.000 1.094 590 A CA -0.712 51.389 52.037 0.107 0.000 0.718 590 A CB 1.953 21.012 19.000 0.099 0.000 1.307 590 A HN 0.668 nan 8.150 nan 0.000 0.408 591 Q N 0.826 120.652 119.800 0.044 0.000 2.356 591 Q HA 0.651 4.991 4.340 -0.001 0.000 0.270 591 Q C -1.975 174.026 176.000 0.002 0.000 1.058 591 Q CA -0.556 55.234 55.803 -0.022 0.000 0.802 591 Q CB 2.158 30.921 28.738 0.041 0.000 1.303 591 Q HN 0.576 nan 8.270 nan 0.000 0.444 592 V N 2.642 122.493 119.914 -0.104 0.000 2.435 592 V HA 0.561 4.681 4.120 -0.001 0.000 0.290 592 V C -0.510 175.775 176.094 0.317 0.000 1.030 592 V CA -0.312 62.044 62.300 0.092 0.000 0.881 592 V CB 1.803 33.656 31.823 0.050 0.000 0.983 592 V HN 0.839 nan 8.190 nan 0.000 0.445 593 S N 5.151 121.067 115.700 0.360 0.000 2.634 593 S HA 0.690 5.159 4.470 -0.001 0.000 0.296 593 S C -2.746 171.944 174.600 0.149 0.000 1.104 593 S CA -1.170 57.232 58.200 0.336 0.000 0.920 593 S CB 2.409 65.750 63.200 0.236 0.000 1.111 593 S HN 0.536 nan 8.310 nan 0.000 0.493 594 P HA 0.246 nan 4.420 nan 0.000 0.274 594 P C -1.167 175.826 177.300 -0.512 0.000 1.256 594 P CA -0.505 62.233 63.100 -0.604 0.000 0.795 594 P CB 0.372 31.303 31.700 -1.281 0.000 1.038 595 V N 1.609 121.144 119.914 -0.631 0.000 2.348 595 V HA 0.195 4.315 4.120 -0.001 0.000 0.270 595 V C -0.542 175.247 176.094 -0.510 0.000 1.037 595 V CA -0.176 61.832 62.300 -0.488 0.000 0.872 595 V CB -0.394 31.054 31.823 -0.625 0.000 1.002 595 V HN 0.520 nan 8.190 nan 0.000 0.464 596 W N 3.005 124.222 121.300 -0.138 0.000 2.478 596 W HA 0.640 5.300 4.660 -0.001 0.000 0.318 596 W C 0.284 176.744 176.519 -0.099 0.000 1.062 596 W CA -0.329 56.920 57.345 -0.159 0.000 1.210 596 W CB 1.819 31.200 29.460 -0.132 0.000 1.325 596 W HN 0.419 nan 8.180 nan 0.000 0.496 597 S N 1.785 117.547 115.700 0.102 0.000 2.526 597 S HA 0.434 4.904 4.470 -0.001 0.000 0.293 597 S C -1.525 173.078 174.600 0.005 0.000 1.092 597 S CA -0.798 57.461 58.200 0.098 0.000 0.980 597 S CB 1.086 64.305 63.200 0.030 0.000 1.048 597 S HN 0.347 nan 8.310 nan 0.000 0.483 598 W N 1.830 123.165 121.300 0.059 0.000 2.417 598 W HA 0.496 5.156 4.660 -0.001 0.000 0.317 598 W C 0.248 176.796 176.519 0.048 0.000 1.121 598 W CA -0.142 57.224 57.345 0.035 0.000 1.208 598 W CB 0.662 30.129 29.460 0.011 0.000 1.253 598 W HN 0.682 nan 8.180 nan 0.000 0.533 599 H N 1.656 120.753 119.070 0.046 0.000 2.547 599 H HA 0.228 4.783 4.556 -0.001 0.000 0.342 599 H C -0.968 174.370 175.328 0.017 0.000 1.048 599 H CA -0.998 55.010 56.048 -0.067 0.000 1.204 599 H CB 0.702 30.280 29.762 -0.307 0.000 1.493 599 H HN 0.411 nan 8.280 nan 0.000 0.511 600 H N 3.968 122.832 119.070 -0.343 0.000 2.911 600 H HA 0.167 4.723 4.556 -0.001 0.000 0.273 600 H C -0.696 174.276 175.328 -0.593 0.000 1.157 600 H CA -0.542 55.323 56.048 -0.306 0.000 1.402 600 H CB 0.054 29.727 29.762 -0.149 0.000 1.463 600 H HN 0.556 nan 8.280 nan 0.000 0.475 601 D N 3.699 123.697 120.400 -0.670 0.000 2.374 601 D HA -0.036 4.604 4.640 -0.001 0.000 0.240 601 D C 0.955 176.970 176.300 -0.476 0.000 1.229 601 D CA 0.152 53.845 54.000 -0.511 0.000 0.895 601 D CB 0.683 41.536 40.800 0.088 0.000 1.046 601 D HN 0.772 nan 8.370 nan 0.000 0.498 602 T N 1.285 115.564 114.554 -0.458 0.000 3.118 602 T HA -0.045 4.304 4.350 -0.001 0.000 0.260 602 T C 1.730 176.346 174.700 -0.139 0.000 1.139 602 T CA 0.036 61.932 62.100 -0.341 0.000 1.085 602 T CB 0.194 68.926 68.868 -0.227 0.000 0.934 602 T HN 0.234 nan 8.240 nan 0.000 0.518 603 L N 2.262 123.438 121.223 -0.079 0.000 2.121 603 L HA 0.120 4.459 4.340 -0.001 0.000 0.200 603 L C 3.008 179.870 176.870 -0.013 0.000 1.077 603 L CA 2.187 57.013 54.840 -0.023 0.000 0.766 603 L CB -1.665 40.400 42.059 0.011 0.000 0.931 603 L HN 0.546 nan 8.230 nan 0.000 0.452 604 T N -3.631 110.925 114.554 0.003 0.000 3.088 604 T HA -0.033 4.317 4.350 -0.001 0.000 0.259 604 T C 0.757 175.469 174.700 0.019 0.000 1.122 604 T CA -0.088 62.019 62.100 0.012 0.000 1.095 604 T CB 0.042 68.921 68.868 0.018 0.000 0.930 604 T HN 0.141 nan 8.240 nan 0.000 0.508 605 K N 1.991 122.390 120.400 -0.002 0.000 3.096 605 K HA -0.126 4.194 4.320 -0.001 0.000 0.266 605 K C 0.123 176.791 176.600 0.113 0.000 1.043 605 K CA 1.253 57.566 56.287 0.044 0.000 0.758 605 K CB -2.927 29.605 32.500 0.054 0.000 1.260 605 K HN 0.880 nan 8.250 nan 0.000 0.481 606 T N -2.763 111.875 114.554 0.139 0.000 2.901 606 T HA 0.817 5.166 4.350 -0.001 0.000 0.293 606 T C 0.227 175.113 174.700 0.310 0.000 1.084 606 T CA -1.063 61.164 62.100 0.212 0.000 1.008 606 T CB 2.286 71.265 68.868 0.185 0.000 1.170 606 T HN 0.144 nan 8.240 nan 0.000 0.509 607 I N 2.908 123.668 120.570 0.317 0.000 2.355 607 I HA 0.521 4.691 4.170 -0.001 0.000 0.288 607 I C -0.428 175.980 176.117 0.485 0.000 0.999 607 I CA -0.724 60.779 61.300 0.338 0.000 1.163 607 I CB 0.779 38.926 38.000 0.246 0.000 1.316 607 I HN 0.941 nan 8.210 nan 0.000 0.454 608 H N 5.729 124.980 119.070 0.302 0.000 3.012 608 H HA 0.650 5.206 4.556 -0.001 0.000 0.367 608 H C -3.180 171.965 175.328 -0.305 0.000 1.211 608 H CA -2.399 53.667 56.048 0.031 0.000 1.139 608 H CB 1.965 31.740 29.762 0.021 0.000 1.838 608 H HN 0.149 nan 8.280 nan 0.000 0.550 609 P HA 0.187 nan 4.420 nan 0.000 0.288 609 P C -0.997 176.194 177.300 -0.182 0.000 1.267 609 P CA -0.621 61.938 63.100 -0.902 0.000 0.815 609 P CB 1.764 32.573 31.700 -1.486 0.000 0.989 610 Q N 0.992 120.760 119.800 -0.053 0.000 2.342 610 Q HA 0.587 4.926 4.340 -0.001 0.000 0.267 610 Q C 0.181 176.210 176.000 0.049 0.000 1.038 610 Q CA -0.592 55.242 55.803 0.052 0.000 0.832 610 Q CB 2.853 31.539 28.738 -0.086 0.000 1.323 610 Q HN 0.575 nan 8.270 nan 0.000 0.448 611 G N 0.568 109.284 108.800 -0.141 0.000 2.389 611 G HA2 0.350 4.310 3.960 -0.001 0.000 0.328 611 G HA3 0.350 4.310 3.960 -0.001 0.000 0.328 611 G C -0.476 174.140 174.900 -0.473 0.000 1.133 611 G CA -0.343 44.362 45.100 -0.659 0.000 0.891 611 G HN 0.421 nan 8.290 nan 0.000 0.485 612 S N -0.647 114.722 115.700 -0.552 0.000 2.580 612 S HA 0.337 4.807 4.470 -0.001 0.000 0.274 612 S C 1.558 175.878 174.600 -0.466 0.000 1.329 612 S CA 0.236 58.154 58.200 -0.470 0.000 1.036 612 S CB 0.778 63.648 63.200 -0.549 0.000 0.919 612 S HN 0.904 nan 8.310 nan 0.000 0.515 613 T N -0.120 114.244 114.554 -0.317 0.000 3.105 613 T HA 0.170 4.520 4.350 -0.001 0.000 0.253 613 T C 1.007 175.606 174.700 -0.170 0.000 1.047 613 T CA 0.465 62.449 62.100 -0.194 0.000 0.944 613 T CB -0.214 68.598 68.868 -0.094 0.000 1.016 613 T HN 0.703 nan 8.240 nan 0.000 0.544 614 T N -2.368 111.980 114.554 -0.344 0.000 3.080 614 T HA 0.377 4.727 4.350 -0.001 0.000 0.280 614 T C 0.164 174.635 174.700 -0.380 0.000 0.926 614 T CA -0.526 61.436 62.100 -0.230 0.000 0.883 614 T CB 0.304 69.098 68.868 -0.124 0.000 1.194 614 T HN 0.228 nan 8.240 nan 0.000 0.541 615 K N 0.828 120.791 120.400 -0.729 0.000 2.316 615 K HA 0.683 5.003 4.320 -0.001 0.000 0.251 615 K C -1.812 174.114 176.600 -1.125 0.000 0.934 615 K CA -0.759 55.136 56.287 -0.654 0.000 0.802 615 K CB 2.116 34.297 32.500 -0.533 0.000 1.171 615 K HN 0.155 nan 8.250 nan 0.000 0.426 616 Y N -0.060 120.158 120.300 -0.138 0.000 2.581 616 Y HA 0.412 4.962 4.550 -0.001 0.000 0.345 616 Y C -0.218 175.703 175.900 0.035 0.000 1.036 616 Y CA -1.142 56.913 58.100 -0.074 0.000 1.042 616 Y CB 1.715 40.199 38.460 0.039 0.000 1.289 616 Y HN 0.257 nan 8.280 nan 0.000 0.471 617 R N 1.740 122.386 120.500 0.243 0.000 2.294 617 R HA 0.572 4.912 4.340 -0.001 0.000 0.319 617 R C -1.207 175.271 176.300 0.296 0.000 0.984 617 R CA -0.620 55.664 56.100 0.307 0.000 0.861 617 R CB 1.613 32.070 30.300 0.262 0.000 1.104 617 R HN 0.644 nan 8.270 nan 0.000 0.451 618 I N 4.218 124.982 120.570 0.323 0.000 2.412 618 I HA 0.423 4.593 4.170 -0.001 0.000 0.296 618 I C -0.993 175.313 176.117 0.314 0.000 0.987 618 I CA -0.735 60.745 61.300 0.301 0.000 1.180 618 I CB 1.006 39.195 38.000 0.315 0.000 1.340 618 I HN 0.543 nan 8.210 nan 0.000 0.455 619 I N 8.090 128.814 120.570 0.257 0.000 2.533 619 I HA 0.492 4.661 4.170 -0.001 0.000 0.290 619 I C -1.055 175.208 176.117 0.244 0.000 1.056 619 I CA -0.509 60.888 61.300 0.162 0.000 1.057 619 I CB 1.682 39.741 38.000 0.098 0.000 1.240 619 I HN 0.500 nan 8.210 nan 0.000 0.423 620 F N 2.881 122.854 119.950 0.038 0.000 2.686 620 F HA 0.572 5.098 4.527 -0.001 0.000 0.311 620 F C -1.038 174.743 175.800 -0.033 0.000 1.128 620 F CA -1.302 56.697 58.000 -0.002 0.000 0.946 620 F CB 1.330 40.314 39.000 -0.027 0.000 1.336 620 F HN 0.207 nan 8.300 nan 0.000 0.457 621 K N 2.055 122.536 120.400 0.135 0.000 2.285 621 K HA 0.716 5.035 4.320 -0.001 0.000 0.286 621 K C -0.587 176.053 176.600 0.067 0.000 1.072 621 K CA -0.331 55.977 56.287 0.036 0.000 0.913 621 K CB 0.762 33.316 32.500 0.090 0.000 1.067 621 K HN 0.928 nan 8.250 nan 0.000 0.479 622 A N 4.670 127.436 122.820 -0.090 0.000 2.310 622 A HA 0.382 4.701 4.320 -0.001 0.000 0.299 622 A C -0.577 177.134 177.584 0.211 0.000 1.147 622 A CA -0.632 51.427 52.037 0.036 0.000 0.818 622 A CB 0.617 19.600 19.000 -0.028 0.000 1.096 622 A HN 0.884 nan 8.150 nan 0.000 0.495 623 R N 2.018 122.752 120.500 0.390 0.000 2.439 623 R HA 0.608 4.948 4.340 -0.001 0.000 0.310 623 R C -1.941 174.613 176.300 0.424 0.000 0.955 623 R CA -0.254 56.067 56.100 0.368 0.000 0.853 623 R CB 1.386 31.887 30.300 0.335 0.000 1.171 623 R HN 0.497 nan 8.270 nan 0.000 0.449 624 V N 6.042 126.162 119.914 0.344 0.000 2.709 624 V HA 0.460 4.579 4.120 -0.001 0.000 0.308 624 V C -2.273 173.720 176.094 -0.169 0.000 1.062 624 V CA -2.296 60.096 62.300 0.153 0.000 0.901 624 V CB 1.914 33.802 31.823 0.108 0.000 1.003 624 V HN 0.788 nan 8.190 nan 0.000 0.425 625 P HA 0.220 nan 4.420 nan 0.000 0.271 625 P C -2.750 174.065 177.300 -0.808 0.000 1.244 625 P CA -1.402 60.819 63.100 -1.466 0.000 0.793 625 P CB -0.284 30.734 31.700 -1.137 0.000 0.984 626 P HA 0.077 nan 4.420 nan 0.000 0.264 626 P C 0.116 177.367 177.300 -0.082 0.000 1.193 626 P CA 0.637 63.541 63.100 -0.326 0.000 0.763 626 P CB -0.263 31.312 31.700 -0.208 0.000 0.810 627 M N 0.362 119.954 119.600 -0.013 0.000 2.253 627 M HA -0.212 4.268 4.480 -0.001 0.000 0.199 627 M C 0.565 177.056 176.300 0.319 0.000 0.342 627 M CA 0.998 56.429 55.300 0.219 0.000 0.417 627 M CB -2.027 30.790 32.600 0.361 0.000 1.338 627 M HN 0.583 nan 8.290 nan 0.000 0.920 628 G N -0.196 108.649 108.800 0.075 0.000 3.105 628 G HA2 0.934 4.893 3.960 -0.001 0.000 0.277 628 G HA3 0.934 4.893 3.960 -0.001 0.000 0.277 628 G C -1.329 173.689 174.900 0.197 0.000 1.375 628 G CA -0.973 44.138 45.100 0.018 0.000 0.962 628 G HN 0.178 nan 8.290 nan 0.000 0.541 629 L N -0.465 120.858 121.223 0.167 0.000 2.388 629 L HA 0.800 5.140 4.340 -0.001 0.000 0.264 629 L C -0.225 176.728 176.870 0.138 0.000 0.998 629 L CA -1.035 53.931 54.840 0.209 0.000 0.817 629 L CB 2.474 44.663 42.059 0.217 0.000 1.338 629 L HN 0.752 nan 8.230 nan 0.000 0.414 630 A N 0.844 123.783 122.820 0.199 0.000 2.398 630 A HA 0.801 5.121 4.320 -0.001 0.000 0.301 630 A C -0.766 176.943 177.584 0.208 0.000 1.041 630 A CA -0.449 51.686 52.037 0.163 0.000 0.711 630 A CB 1.701 20.845 19.000 0.240 0.000 1.240 630 A HN 0.561 nan 8.150 nan 0.000 0.420 631 T N 2.164 116.734 114.554 0.025 0.000 2.829 631 T HA 0.648 4.997 4.350 -0.001 0.000 0.282 631 T C -1.034 173.541 174.700 -0.208 0.000 0.990 631 T CA 0.245 62.399 62.100 0.090 0.000 1.028 631 T CB 0.342 69.270 68.868 0.100 0.000 0.951 631 T HN 0.440 nan 8.240 nan 0.000 0.460 632 Y N 0.305 120.669 120.300 0.107 0.000 2.605 632 Y HA 0.670 5.219 4.550 -0.001 0.000 0.343 632 Y C -0.340 175.463 175.900 -0.163 0.000 1.036 632 Y CA -1.175 56.903 58.100 -0.037 0.000 1.065 632 Y CB 1.714 40.167 38.460 -0.012 0.000 1.288 632 Y HN 0.306 nan 8.280 nan 0.000 0.481 633 V N 3.113 122.975 119.914 -0.086 0.000 2.588 633 V HA 0.434 4.554 4.120 -0.001 0.000 0.304 633 V C -0.769 175.263 176.094 -0.105 0.000 1.042 633 V CA -0.957 61.237 62.300 -0.177 0.000 0.877 633 V CB 1.753 33.410 31.823 -0.277 0.000 0.996 633 V HN 0.498 nan 8.190 nan 0.000 0.425 634 L N 3.914 125.105 121.223 -0.053 0.000 2.282 634 L HA 0.688 5.028 4.340 -0.001 0.000 0.288 634 L C -0.098 176.788 176.870 0.026 0.000 1.033 634 L CA -0.121 54.703 54.840 -0.026 0.000 0.807 634 L CB 1.765 43.822 42.059 -0.005 0.000 1.209 634 L HN 0.607 nan 8.230 nan 0.000 0.423 635 T N 3.699 118.272 114.554 0.032 0.000 2.848 635 T HA 0.454 4.804 4.350 -0.001 0.000 0.285 635 T C -0.218 174.530 174.700 0.079 0.000 0.995 635 T CA -0.385 61.748 62.100 0.055 0.000 0.970 635 T CB 2.325 71.215 68.868 0.038 0.000 0.976 635 T HN 0.379 nan 8.240 nan 0.000 0.441 636 I N 3.168 123.794 120.570 0.093 0.000 2.662 636 I HA 0.523 4.693 4.170 -0.001 0.000 0.291 636 I C 0.312 176.494 176.117 0.107 0.000 1.046 636 I CA 0.212 61.583 61.300 0.118 0.000 1.361 636 I CB 0.735 38.807 38.000 0.121 0.000 1.429 636 I HN 0.836 nan 8.210 nan 0.000 0.558 637 S N 3.527 119.309 115.700 0.135 0.000 2.697 637 S HA 0.399 4.868 4.470 -0.001 0.000 0.289 637 S C -0.047 174.598 174.600 0.076 0.000 1.149 637 S CA -0.815 57.432 58.200 0.079 0.000 0.850 637 S CB 1.605 64.830 63.200 0.042 0.000 1.151 637 S HN 0.604 nan 8.310 nan 0.000 0.491 638 D N 1.137 121.521 120.400 -0.026 0.000 2.234 638 D HA 0.139 4.779 4.640 -0.001 0.000 0.205 638 D C 0.986 177.052 176.300 -0.389 0.000 0.962 638 D CA 1.371 55.325 54.000 -0.077 0.000 0.855 638 D CB 0.111 40.869 40.800 -0.070 0.000 0.951 638 D HN 0.671 nan 8.370 nan 0.000 0.500 639 S N -1.337 114.017 115.700 -0.576 0.000 2.720 639 S HA 0.376 4.846 4.470 -0.001 0.000 0.287 639 S C -0.591 173.525 174.600 -0.806 0.000 1.168 639 S CA -1.068 56.493 58.200 -1.065 0.000 0.832 639 S CB 1.997 64.874 63.200 -0.539 0.000 1.166 639 S HN -0.204 nan 8.310 nan 0.000 0.493 640 K N 2.004 122.031 120.400 -0.623 0.000 2.437 640 K HA 0.173 4.493 4.320 -0.001 0.000 0.277 640 K C -2.387 174.222 176.600 0.016 0.000 1.073 640 K CA -0.577 55.687 56.287 -0.037 0.000 1.105 640 K CB -0.571 31.961 32.500 0.054 0.000 0.881 640 K HN 0.390 nan 8.250 nan 0.000 0.475 641 P HA -0.003 nan 4.420 nan 0.000 0.274 641 P C 0.535 177.857 177.300 0.036 0.000 1.231 641 P CA -0.300 62.843 63.100 0.072 0.000 0.790 641 P CB 0.750 32.519 31.700 0.114 0.000 0.951 642 E N 1.159 121.345 120.200 -0.022 0.000 2.118 642 E HA -0.248 4.102 4.350 -0.001 0.000 0.195 642 E C 0.553 176.986 176.600 -0.279 0.000 0.992 642 E CA 1.209 57.504 56.400 -0.176 0.000 0.804 642 E CB -0.042 29.487 29.700 -0.285 0.000 0.741 642 E HN 0.496 nan 8.360 nan 0.000 0.458 643 H N -0.796 118.281 119.070 0.011 0.000 2.505 643 H HA 0.215 4.770 4.556 -0.001 0.000 0.289 643 H C -0.409 174.911 175.328 -0.014 0.000 1.052 643 H CA 0.200 56.250 56.048 0.003 0.000 1.156 643 H CB 0.743 30.506 29.762 0.002 0.000 1.507 643 H HN -0.043 nan 8.280 nan 0.000 0.548 644 T N 1.440 116.014 114.554 0.033 0.000 2.812 644 T HA 0.316 4.666 4.350 -0.001 0.000 0.282 644 T C 0.296 174.866 174.700 -0.216 0.000 0.990 644 T CA -0.703 61.346 62.100 -0.084 0.000 0.960 644 T CB 2.183 70.997 68.868 -0.089 0.000 0.948 644 T HN 0.262 nan 8.240 nan 0.000 0.438 645 S N 2.268 117.795 115.700 -0.288 0.000 2.718 645 S HA 0.790 5.260 4.470 -0.001 0.000 0.300 645 S C -1.413 172.818 174.600 -0.615 0.000 1.117 645 S CA -0.819 57.218 58.200 -0.271 0.000 1.002 645 S CB 0.885 64.047 63.200 -0.064 0.000 1.092 645 S HN 0.571 nan 8.310 nan 0.000 0.542 646 Y N 0.001 120.300 120.300 -0.001 0.000 2.376 646 Y HA 0.654 5.203 4.550 -0.001 0.000 0.340 646 Y C 0.584 176.526 175.900 0.071 0.000 0.965 646 Y CA -0.782 57.296 58.100 -0.036 0.000 1.078 646 Y CB 1.673 39.971 38.460 -0.271 0.000 1.193 646 Y HN 1.035 nan 8.280 nan 0.000 0.452 647 A N 2.011 125.016 122.820 0.308 0.000 2.445 647 A HA 0.470 4.790 4.320 -0.001 0.000 0.242 647 A C 0.324 178.107 177.584 0.333 0.000 1.075 647 A CA -0.276 51.935 52.037 0.289 0.000 0.777 647 A CB -0.091 19.085 19.000 0.293 0.000 1.013 647 A HN 0.773 nan 8.150 nan 0.000 0.493 648 S N 2.089 117.921 115.700 0.220 0.000 2.632 648 S HA 0.515 4.984 4.470 -0.001 0.000 0.271 648 S C -0.327 174.375 174.600 0.171 0.000 1.260 648 S CA -0.843 57.472 58.200 0.191 0.000 1.010 648 S CB 0.689 63.958 63.200 0.115 0.000 0.965 648 S HN 0.691 nan 8.310 nan 0.000 0.534 649 N N 0.559 119.338 118.700 0.131 0.000 2.310 649 N HA 0.484 5.224 4.740 -0.001 0.000 0.292 649 N C -1.999 173.466 175.510 -0.076 0.000 1.049 649 N CA -0.533 52.555 53.050 0.063 0.000 0.849 649 N CB 2.004 40.618 38.487 0.211 0.000 1.532 649 N HN 0.585 nan 8.380 nan 0.000 0.479 650 L N 2.368 123.503 121.223 -0.146 0.000 2.404 650 L HA 0.521 4.861 4.340 -0.001 0.000 0.272 650 L C -1.691 175.038 176.870 -0.236 0.000 0.980 650 L CA -0.702 54.023 54.840 -0.190 0.000 0.836 650 L CB 1.505 43.505 42.059 -0.099 0.000 1.238 650 L HN 0.460 nan 8.230 nan 0.000 0.408 651 L N 6.016 127.054 121.223 -0.308 0.000 2.265 651 L HA 0.575 4.914 4.340 -0.001 0.000 0.289 651 L C -1.317 175.539 176.870 -0.023 0.000 1.033 651 L CA -0.043 54.677 54.840 -0.200 0.000 0.814 651 L CB 1.009 42.947 42.059 -0.202 0.000 1.203 651 L HN 0.603 nan 8.230 nan 0.000 0.423 652 L N 7.121 128.344 121.223 -0.000 0.000 2.276 652 L HA 0.688 5.028 4.340 -0.001 0.000 0.286 652 L C -0.264 176.647 176.870 0.069 0.000 1.024 652 L CA -0.493 54.374 54.840 0.045 0.000 0.826 652 L CB 0.585 42.662 42.059 0.029 0.000 1.211 652 L HN 0.729 nan 8.230 nan 0.000 0.422 653 R N 1.990 122.539 120.500 0.083 0.000 2.739 653 R HA 0.436 4.775 4.340 -0.001 0.000 0.266 653 R C -1.693 174.641 176.300 0.057 0.000 1.044 653 R CA -1.110 55.032 56.100 0.071 0.000 0.885 653 R CB 1.392 31.733 30.300 0.069 0.000 1.260 653 R HN 0.246 nan 8.270 nan 0.000 0.477 654 K N 1.335 121.758 120.400 0.038 0.000 2.126 654 K HA 0.238 4.558 4.320 -0.001 0.000 0.257 654 K C -0.372 176.227 176.600 -0.001 0.000 1.007 654 K CA -0.112 56.187 56.287 0.020 0.000 0.928 654 K CB 0.414 32.925 32.500 0.018 0.000 1.013 654 K HN 0.831 nan 8.250 nan 0.000 0.473 655 N N 0.293 118.980 118.700 -0.022 0.000 2.727 655 N HA -0.138 4.602 4.740 -0.001 0.000 0.251 655 N C -2.592 172.867 175.510 -0.085 0.000 1.040 655 N CA -0.266 52.753 53.050 -0.052 0.000 0.712 655 N CB -1.178 37.283 38.487 -0.044 0.000 0.912 655 N HN 0.460 nan 8.380 nan 0.000 0.545 656 P HA 0.166 nan 4.420 nan 0.000 0.276 656 P C -0.022 177.103 177.300 -0.290 0.000 1.244 656 P CA 0.097 63.092 63.100 -0.176 0.000 0.801 656 P CB 1.089 32.660 31.700 -0.215 0.000 1.006 657 T N -2.632 111.749 114.554 -0.287 0.000 2.916 657 T HA 0.494 4.843 4.350 -0.001 0.000 0.292 657 T C 0.264 174.783 174.700 -0.302 0.000 1.064 657 T CA -0.765 61.174 62.100 -0.268 0.000 1.011 657 T CB 0.626 69.406 68.868 -0.146 0.000 1.152 657 T HN 0.479 nan 8.240 nan 0.000 0.510 658 S N 0.611 116.188 115.700 -0.205 0.000 2.569 658 S HA 0.385 4.855 4.470 -0.001 0.000 0.274 658 S C -0.144 174.553 174.600 0.162 0.000 1.353 658 S CA -0.744 57.431 58.200 -0.041 0.000 1.023 658 S CB -0.347 62.847 63.200 -0.010 0.000 0.876 658 S HN 0.698 nan 8.310 nan 0.000 0.540 659 L N 2.132 123.552 121.223 0.328 0.000 2.470 659 L HA 0.365 4.705 4.340 -0.001 0.000 0.256 659 L C -2.409 174.562 176.870 0.168 0.000 1.357 659 L CA -1.565 53.438 54.840 0.273 0.000 0.902 659 L CB 1.613 43.912 42.059 0.400 0.000 1.121 659 L HN 0.587 nan 8.230 nan 0.000 0.507 660 P HA 0.202 nan 4.420 nan 0.000 0.275 660 P C -0.016 177.276 177.300 -0.014 0.000 1.228 660 P CA -0.169 62.961 63.100 0.050 0.000 0.786 660 P CB 1.734 33.453 31.700 0.032 0.000 0.927 661 L N 0.941 122.165 121.223 0.002 0.000 3.366 661 L HA 0.289 4.628 4.340 -0.001 0.000 0.304 661 L C 1.356 178.286 176.870 0.099 0.000 1.292 661 L CA -0.032 54.789 54.840 -0.033 0.000 1.012 661 L CB 0.074 42.083 42.059 -0.083 0.000 1.414 661 L HN 0.741 nan 8.230 nan 0.000 0.603 662 G N 1.091 109.931 108.800 0.067 0.000 2.591 662 G HA2 -0.402 3.557 3.960 -0.001 0.000 0.298 662 G HA3 -0.402 3.557 3.960 -0.001 0.000 0.298 662 G C 0.488 175.431 174.900 0.072 0.000 1.195 662 G CA 0.635 45.788 45.100 0.088 0.000 0.989 662 G HN 0.422 nan 8.290 nan 0.000 0.551 663 Q N -0.437 119.383 119.800 0.032 0.000 2.472 663 Q HA 0.195 4.535 4.340 -0.001 0.000 0.208 663 Q C 0.790 176.611 176.000 -0.298 0.000 0.958 663 Q CA 0.214 55.933 55.803 -0.141 0.000 0.932 663 Q CB 0.253 28.819 28.738 -0.287 0.000 1.007 663 Q HN 0.494 nan 8.270 nan 0.000 0.508 664 Y N 3.715 123.813 120.300 -0.337 0.000 2.802 664 Y HA -0.049 4.500 4.550 -0.001 0.000 0.333 664 Y C -1.410 174.337 175.900 -0.255 0.000 1.244 664 Y CA -1.574 56.309 58.100 -0.361 0.000 1.558 664 Y CB 0.814 39.215 38.460 -0.097 0.000 1.233 664 Y HN 0.071 nan 8.280 nan 0.000 0.547 665 P HA -0.069 nan 4.420 nan 0.000 0.237 665 P C -0.630 176.522 177.300 -0.247 0.000 1.178 665 P CA 0.999 63.841 63.100 -0.430 0.000 0.766 665 P CB 0.501 31.836 31.700 -0.607 0.000 0.876 666 E N 1.036 121.120 120.200 -0.192 0.000 2.158 666 E HA 0.216 4.565 4.350 -0.001 0.000 0.271 666 E C -0.519 176.197 176.600 0.194 0.000 0.911 666 E CA -0.560 55.865 56.400 0.042 0.000 0.767 666 E CB 1.259 31.024 29.700 0.109 0.000 1.120 666 E HN 0.029 nan 8.360 nan 0.000 0.405 667 D N 1.381 121.855 120.400 0.123 0.000 2.389 667 D HA 0.076 4.716 4.640 -0.001 0.000 0.247 667 D C 0.184 176.547 176.300 0.104 0.000 1.128 667 D CA -0.225 53.851 54.000 0.126 0.000 0.884 667 D CB 1.102 41.963 40.800 0.102 0.000 1.194 667 D HN 0.037 nan 8.370 nan 0.000 0.441 668 V N 3.693 123.653 119.914 0.077 0.000 2.673 668 V HA -0.040 4.079 4.120 -0.001 0.000 0.303 668 V C 0.868 176.796 176.094 -0.277 0.000 1.046 668 V CA 0.189 62.435 62.300 -0.091 0.000 1.126 668 V CB 0.270 32.017 31.823 -0.126 0.000 0.934 668 V HN 0.307 nan 8.190 nan 0.000 0.487 669 K N 3.765 123.947 120.400 -0.363 0.000 2.123 669 K HA 0.663 4.983 4.320 -0.001 0.000 0.248 669 K C -0.933 175.288 176.600 -0.632 0.000 0.969 669 K CA -0.356 55.747 56.287 -0.307 0.000 0.882 669 K CB 1.745 34.189 32.500 -0.094 0.000 1.080 669 K HN 0.422 nan 8.250 nan 0.000 0.441 670 F N -0.951 119.013 119.950 0.022 0.000 2.593 670 F HA 0.682 5.209 4.527 -0.001 0.000 0.320 670 F C 0.632 176.437 175.800 0.009 0.000 1.060 670 F CA -0.612 57.393 58.000 0.008 0.000 0.940 670 F CB 2.716 41.720 39.000 0.006 0.000 1.268 670 F HN 0.610 nan 8.300 nan 0.000 0.475 671 G N 0.340 109.250 108.800 0.184 0.000 2.576 671 G HA2 0.392 4.352 3.960 -0.001 0.000 0.290 671 G HA3 0.392 4.352 3.960 -0.001 0.000 0.290 671 G C -2.180 172.775 174.900 0.091 0.000 1.442 671 G CA -0.875 44.293 45.100 0.112 0.000 0.792 671 G HN 0.366 nan 8.290 nan 0.000 0.491 672 D N 0.928 121.369 120.400 0.067 0.000 2.382 672 D HA 0.373 5.013 4.640 -0.001 0.000 0.240 672 D C -1.967 174.364 176.300 0.052 0.000 1.146 672 D CA -0.543 53.490 54.000 0.055 0.000 0.897 672 D CB 0.906 41.732 40.800 0.043 0.000 1.197 672 D HN 0.006 nan 8.370 nan 0.000 0.432 673 P HA 0.037 nan 4.420 nan 0.000 0.263 673 P C -0.430 176.900 177.300 0.051 0.000 1.175 673 P CA 0.475 63.607 63.100 0.053 0.000 0.761 673 P CB 0.394 32.128 31.700 0.056 0.000 0.794 674 R N 0.468 121.000 120.500 0.054 0.000 2.690 674 R HA 0.420 4.760 4.340 -0.001 0.000 0.269 674 R C -1.123 175.218 176.300 0.069 0.000 1.037 674 R CA -1.030 55.103 56.100 0.054 0.000 0.877 674 R CB 1.128 31.456 30.300 0.046 0.000 1.255 674 R HN 0.232 nan 8.270 nan 0.000 0.467 675 E N 1.575 121.817 120.200 0.070 0.000 2.398 675 E HA 0.234 4.583 4.350 -0.001 0.000 0.263 675 E C -0.017 176.643 176.600 0.100 0.000 1.046 675 E CA 0.073 56.529 56.400 0.093 0.000 0.908 675 E CB 0.781 30.520 29.700 0.066 0.000 0.963 675 E HN 0.447 nan 8.360 nan 0.000 0.431 676 I N -2.094 118.570 120.570 0.156 0.000 3.095 676 I HA 0.548 4.717 4.170 -0.001 0.000 0.310 676 I C -0.714 175.550 176.117 0.245 0.000 1.196 676 I CA -0.772 60.621 61.300 0.154 0.000 0.985 676 I CB 2.491 40.555 38.000 0.106 0.000 1.250 676 I HN 0.123 nan 8.210 nan 0.000 0.446 677 S N 3.235 119.051 115.700 0.193 0.000 2.536 677 S HA 0.838 5.308 4.470 -0.001 0.000 0.287 677 S C -0.866 173.854 174.600 0.199 0.000 1.101 677 S CA -0.614 57.714 58.200 0.213 0.000 0.950 677 S CB 1.675 64.951 63.200 0.126 0.000 1.056 677 S HN 0.539 nan 8.310 nan 0.000 0.481 678 L N 2.039 123.408 121.223 0.242 0.000 2.409 678 L HA 0.686 5.025 4.340 -0.001 0.000 0.262 678 L C -0.454 176.512 176.870 0.160 0.000 0.992 678 L CA -0.666 54.287 54.840 0.189 0.000 0.817 678 L CB 2.301 44.487 42.059 0.211 0.000 1.350 678 L HN 0.499 nan 8.230 nan 0.000 0.411 679 R N 1.567 122.138 120.500 0.118 0.000 2.533 679 R HA 0.667 5.006 4.340 -0.001 0.000 0.288 679 R C -1.999 174.350 176.300 0.082 0.000 1.039 679 R CA -0.490 55.667 56.100 0.095 0.000 0.909 679 R CB 2.272 32.619 30.300 0.078 0.000 1.195 679 R HN 0.399 nan 8.270 nan 0.000 0.438 680 V N 4.582 124.542 119.914 0.077 0.000 2.435 680 V HA 0.564 4.684 4.120 -0.001 0.000 0.290 680 V C 1.086 177.213 176.094 0.055 0.000 1.030 680 V CA 0.589 62.930 62.300 0.067 0.000 0.881 680 V CB 1.113 32.979 31.823 0.070 0.000 0.983 680 V HN 1.114 nan 8.190 nan 0.000 0.445 681 G N 4.970 113.799 108.800 0.050 0.000 2.596 681 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.295 681 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.295 681 G C 0.484 175.406 174.900 0.036 0.000 1.240 681 G CA 0.592 45.717 45.100 0.042 0.000 0.985 681 G HN 0.686 nan 8.290 nan 0.000 0.555 682 N N 2.342 121.060 118.700 0.029 0.000 2.251 682 N HA 0.251 4.991 4.740 -0.001 0.000 0.217 682 N C 1.156 176.678 175.510 0.019 0.000 1.124 682 N CA 0.904 53.967 53.050 0.022 0.000 0.843 682 N CB 0.476 38.973 38.487 0.016 0.000 1.024 682 N HN 0.794 nan 8.380 nan 0.000 0.501 683 G N 1.649 110.464 108.800 0.026 0.000 2.494 683 G HA2 0.242 4.201 3.960 -0.001 0.000 0.270 683 G HA3 0.242 4.201 3.960 -0.001 0.000 0.270 683 G C -2.396 172.516 174.900 0.021 0.000 1.423 683 G CA -0.622 44.492 45.100 0.023 0.000 1.055 683 G HN -0.004 nan 8.290 nan 0.000 0.536 684 P HA 0.221 nan 4.420 nan 0.000 0.274 684 P C -0.569 176.751 177.300 0.034 0.000 1.237 684 P CA 0.027 63.134 63.100 0.011 0.000 0.793 684 P CB 0.904 32.607 31.700 0.005 0.000 0.977 685 T N 2.530 117.100 114.554 0.028 0.000 2.749 685 T HA 0.454 4.804 4.350 -0.001 0.000 0.287 685 T C 0.033 174.772 174.700 0.064 0.000 0.970 685 T CA -0.360 61.781 62.100 0.068 0.000 0.980 685 T CB 0.085 69.006 68.868 0.088 0.000 0.924 685 T HN 0.175 nan 8.240 nan 0.000 0.456 686 L N 2.696 123.964 121.223 0.076 0.000 2.329 686 L HA 0.777 5.117 4.340 -0.001 0.000 0.279 686 L C 0.195 177.020 176.870 -0.075 0.000 1.014 686 L CA -1.161 53.649 54.840 -0.050 0.000 0.814 686 L CB 1.545 43.565 42.059 -0.065 0.000 1.257 686 L HN 0.640 nan 8.230 nan 0.000 0.424 687 A N 3.159 125.844 122.820 -0.225 0.000 2.337 687 A HA 0.872 5.191 4.320 -0.001 0.000 0.329 687 A C -1.204 176.161 177.584 -0.364 0.000 1.146 687 A CA -0.304 51.656 52.037 -0.129 0.000 0.800 687 A CB 0.818 19.782 19.000 -0.061 0.000 1.220 687 A HN 0.500 nan 8.150 nan 0.000 0.472 688 F N 0.751 120.746 119.950 0.076 0.000 2.563 688 F HA 0.532 5.058 4.527 -0.001 0.000 0.316 688 F C 1.070 176.920 175.800 0.083 0.000 1.076 688 F CA -0.334 57.727 58.000 0.102 0.000 0.921 688 F CB 2.133 41.198 39.000 0.107 0.000 1.209 688 F HN 0.681 nan 8.300 nan 0.000 0.462 689 S N 0.084 115.950 115.700 0.276 0.000 2.617 689 S HA 0.085 4.555 4.470 -0.001 0.000 0.259 689 S C 1.073 175.781 174.600 0.180 0.000 1.301 689 S CA 0.003 58.312 58.200 0.182 0.000 0.984 689 S CB 0.639 63.943 63.200 0.173 0.000 0.954 689 S HN 0.855 nan 8.310 nan 0.000 0.572 690 E N -0.104 120.169 120.200 0.122 0.000 2.401 690 E HA -0.207 4.142 4.350 -0.001 0.000 0.199 690 E C 1.327 177.992 176.600 0.107 0.000 1.023 690 E CA 1.043 57.504 56.400 0.102 0.000 0.859 690 E CB -0.430 29.314 29.700 0.074 0.000 0.780 690 E HN 0.781 nan 8.360 nan 0.000 0.523 691 Q N 0.045 119.923 119.800 0.131 0.000 2.320 691 Q HA 0.203 4.543 4.340 -0.001 0.000 0.201 691 Q C 0.824 176.917 176.000 0.154 0.000 0.910 691 Q CA 0.432 56.312 55.803 0.128 0.000 0.946 691 Q CB 0.905 29.720 28.738 0.128 0.000 1.062 691 Q HN 0.486 nan 8.270 nan 0.000 0.503 692 G N 0.515 109.428 108.800 0.188 0.000 2.136 692 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.242 692 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.242 692 G C -0.287 174.844 174.900 0.385 0.000 0.989 692 G CA -0.168 45.049 45.100 0.195 0.000 0.682 692 G HN 0.267 nan 8.290 nan 0.000 0.522 693 L N -0.145 121.346 121.223 0.447 0.000 2.329 693 L HA 0.670 5.009 4.340 -0.001 0.000 0.279 693 L C 0.776 177.949 176.870 0.505 0.000 1.014 693 L CA -1.390 53.756 54.840 0.511 0.000 0.814 693 L CB 1.620 43.888 42.059 0.347 0.000 1.257 693 L HN 0.138 nan 8.230 nan 0.000 0.424 694 L N 3.410 124.905 121.223 0.454 0.000 2.559 694 L HA -0.046 4.293 4.340 -0.001 0.000 0.282 694 L C 1.033 177.970 176.870 0.111 0.000 1.232 694 L CA 0.944 55.794 54.840 0.016 0.000 0.885 694 L CB 0.209 42.302 42.059 0.057 0.000 1.131 694 L HN 0.798 nan 8.230 nan 0.000 0.498 695 K N 1.329 121.697 120.400 -0.054 0.000 2.474 695 K HA 0.324 4.644 4.320 -0.001 0.000 0.202 695 K C -0.088 176.457 176.600 -0.092 0.000 1.248 695 K CA 0.303 56.581 56.287 -0.014 0.000 0.946 695 K CB 0.427 32.901 32.500 -0.044 0.000 1.102 695 K HN 0.598 nan 8.250 nan 0.000 0.541 696 S N 0.363 115.982 115.700 -0.136 0.000 2.565 696 S HA 0.593 5.062 4.470 -0.001 0.000 0.269 696 S C -1.143 173.401 174.600 -0.093 0.000 1.153 696 S CA -0.999 57.146 58.200 -0.092 0.000 0.835 696 S CB 1.315 64.502 63.200 -0.021 0.000 1.122 696 S HN 0.180 nan 8.310 nan 0.000 0.462 697 I N 1.490 122.022 120.570 -0.062 0.000 2.466 697 I HA 0.459 4.629 4.170 -0.001 0.000 0.289 697 I C -0.549 175.538 176.117 -0.050 0.000 1.026 697 I CA -0.387 60.880 61.300 -0.055 0.000 1.078 697 I CB 2.141 40.096 38.000 -0.074 0.000 1.249 697 I HN 0.722 nan 8.210 nan 0.000 0.429 698 Q N 6.070 125.833 119.800 -0.063 0.000 2.368 698 Q HA 0.410 4.750 4.340 -0.001 0.000 0.263 698 Q C 0.082 176.015 176.000 -0.110 0.000 1.009 698 Q CA -0.503 55.196 55.803 -0.173 0.000 0.818 698 Q CB 1.636 30.135 28.738 -0.398 0.000 1.239 698 Q HN 0.783 nan 8.270 nan 0.000 0.464 699 L N 2.017 123.182 121.223 -0.097 0.000 2.056 699 L HA -0.041 4.299 4.340 -0.001 0.000 0.207 699 L C 1.191 178.028 176.870 -0.054 0.000 1.078 699 L CA 1.323 56.125 54.840 -0.063 0.000 0.749 699 L CB -0.288 41.736 42.059 -0.058 0.000 0.901 699 L HN 0.666 nan 8.230 nan 0.000 0.433 700 T N -6.737 107.776 114.554 -0.070 0.000 2.865 700 T HA 0.202 4.551 4.350 -0.001 0.000 0.294 700 T C 0.518 175.180 174.700 -0.064 0.000 1.119 700 T CA -0.839 61.229 62.100 -0.052 0.000 1.007 700 T CB 1.892 70.734 68.868 -0.042 0.000 1.225 700 T HN -0.155 nan 8.240 nan 0.000 0.515 701 Q N 0.945 120.722 119.800 -0.038 0.000 2.096 701 Q HA -0.181 4.159 4.340 -0.001 0.000 0.208 701 Q C 1.804 177.779 176.000 -0.042 0.000 0.993 701 Q CA 2.621 58.407 55.803 -0.029 0.000 0.862 701 Q CB -0.344 28.389 28.738 -0.009 0.000 0.915 701 Q HN 0.927 nan 8.270 nan 0.000 0.416 702 D N -0.541 119.834 120.400 -0.041 0.000 2.333 702 D HA -0.043 4.597 4.640 -0.001 0.000 0.208 702 D C 0.806 177.070 176.300 -0.060 0.000 0.984 702 D CA 0.348 54.325 54.000 -0.037 0.000 0.873 702 D CB 0.016 40.801 40.800 -0.024 0.000 0.935 702 D HN 0.058 nan 8.370 nan 0.000 0.521 703 S N 1.009 116.657 115.700 -0.087 0.000 2.608 703 S HA 0.352 4.822 4.470 -0.001 0.000 0.261 703 S C -2.559 171.947 174.600 -0.158 0.000 1.314 703 S CA -1.112 57.028 58.200 -0.100 0.000 0.992 703 S CB 0.901 64.045 63.200 -0.094 0.000 0.935 703 S HN -0.133 nan 8.310 nan 0.000 0.564 704 P HA 0.182 nan 4.420 nan 0.000 0.272 704 P C -0.613 176.571 177.300 -0.194 0.000 1.223 704 P CA -0.193 62.842 63.100 -0.108 0.000 0.784 704 P CB 0.145 31.822 31.700 -0.039 0.000 0.923 705 H N 0.714 119.770 119.070 -0.023 0.000 3.067 705 H HA 0.144 4.699 4.556 -0.001 0.000 0.265 705 H C -0.163 175.134 175.328 -0.051 0.000 1.234 705 H CA -0.318 55.708 56.048 -0.037 0.000 1.452 705 H CB -0.210 29.533 29.762 -0.032 0.000 1.527 705 H HN 0.109 nan 8.280 nan 0.000 0.486 706 V N 6.699 126.613 119.914 -0.000 0.000 2.470 706 V HA 0.050 4.170 4.120 -0.001 0.000 0.276 706 V C -1.862 174.187 176.094 -0.076 0.000 1.040 706 V CA -1.497 60.779 62.300 -0.039 0.000 1.008 706 V CB 0.716 32.503 31.823 -0.060 0.000 0.990 706 V HN 0.531 nan 8.190 nan 0.000 0.477 707 P HA 0.190 nan 4.420 nan 0.000 0.266 707 P C -0.821 176.343 177.300 -0.226 0.000 1.215 707 P CA 0.211 63.186 63.100 -0.207 0.000 0.763 707 P CB 0.510 31.979 31.700 -0.385 0.000 0.806 708 V N 4.130 123.938 119.914 -0.176 0.000 2.555 708 V HA 0.204 4.324 4.120 -0.001 0.000 0.283 708 V C -0.819 175.183 176.094 -0.154 0.000 1.020 708 V CA -0.433 61.748 62.300 -0.198 0.000 0.883 708 V CB 1.157 32.849 31.823 -0.217 0.000 1.030 708 V HN 0.542 nan 8.190 nan 0.000 0.448 709 H N 4.492 123.408 119.070 -0.257 0.000 2.481 709 H HA 0.679 5.235 4.556 -0.001 0.000 0.333 709 H C -1.238 173.975 175.328 -0.192 0.000 1.066 709 H CA -1.062 54.882 56.048 -0.173 0.000 1.209 709 H CB 1.105 30.806 29.762 -0.101 0.000 1.445 709 H HN 0.384 nan 8.280 nan 0.000 0.488 710 F N 3.884 123.560 119.950 -0.457 0.000 2.396 710 F HA 0.375 4.901 4.527 -0.001 0.000 0.343 710 F C 0.407 175.692 175.800 -0.860 0.000 1.104 710 F CA -0.089 57.584 58.000 -0.545 0.000 1.161 710 F CB 0.896 39.715 39.000 -0.302 0.000 1.146 710 F HN 0.461 nan 8.300 nan 0.000 0.522 711 K N 3.300 123.442 120.400 -0.430 0.000 2.523 711 K HA 0.509 4.829 4.320 -0.001 0.000 0.257 711 K C -1.975 174.357 176.600 -0.446 0.000 0.932 711 K CA -0.558 55.518 56.287 -0.351 0.000 0.812 711 K CB 1.327 33.687 32.500 -0.233 0.000 1.326 711 K HN 0.385 nan 8.250 nan 0.000 0.433 712 F N 3.988 123.861 119.950 -0.129 0.000 2.436 712 F HA 0.496 5.023 4.527 -0.001 0.000 0.340 712 F C -0.405 175.353 175.800 -0.071 0.000 1.113 712 F CA -0.595 57.343 58.000 -0.104 0.000 1.022 712 F CB 1.194 40.116 39.000 -0.130 0.000 1.128 712 F HN 0.239 nan 8.300 nan 0.000 0.466 713 L N 2.703 123.967 121.223 0.069 0.000 2.303 713 L HA 0.632 4.971 4.340 -0.001 0.000 0.256 713 L C -1.123 175.743 176.870 -0.007 0.000 1.034 713 L CA -1.025 53.808 54.840 -0.012 0.000 0.832 713 L CB 2.278 44.270 42.059 -0.112 0.000 1.403 713 L HN 0.491 nan 8.230 nan 0.000 0.419 714 K N -0.318 120.041 120.400 -0.070 0.000 2.378 714 K HA 0.653 4.972 4.320 -0.001 0.000 0.252 714 K C -1.765 174.776 176.600 -0.099 0.000 0.931 714 K CA -0.777 55.500 56.287 -0.017 0.000 0.794 714 K CB 1.641 34.159 32.500 0.030 0.000 1.181 714 K HN 0.258 nan 8.250 nan 0.000 0.425 715 Y N 0.740 121.102 120.300 0.102 0.000 2.352 715 Y HA 0.514 5.063 4.550 -0.001 0.000 0.326 715 Y C 1.043 177.001 175.900 0.097 0.000 1.166 715 Y CA 0.062 58.235 58.100 0.121 0.000 1.182 715 Y CB 2.095 40.696 38.460 0.234 0.000 1.216 715 Y HN 0.919 nan 8.280 nan 0.000 0.474 716 G N 0.474 109.419 108.800 0.242 0.000 2.971 716 G HA2 0.636 4.596 3.960 -0.001 0.000 0.235 716 G HA3 0.636 4.596 3.960 -0.001 0.000 0.235 716 G C -1.473 173.503 174.900 0.128 0.000 1.351 716 G CA -0.743 44.447 45.100 0.149 0.000 1.039 716 G HN 0.435 nan 8.290 nan 0.000 0.563 717 V N -0.133 119.826 119.914 0.076 0.000 2.823 717 V HA 0.467 4.587 4.120 -0.001 0.000 0.312 717 V C -0.043 176.060 176.094 0.015 0.000 1.072 717 V CA -0.867 61.459 62.300 0.042 0.000 0.937 717 V CB 1.949 33.798 31.823 0.044 0.000 1.013 717 V HN 0.686 nan 8.190 nan 0.000 0.430 718 R N 1.316 121.803 120.500 -0.022 0.000 2.543 718 R HA 0.198 4.537 4.340 -0.001 0.000 0.277 718 R C 1.183 177.474 176.300 -0.016 0.000 1.074 718 R CA 0.456 56.527 56.100 -0.049 0.000 1.076 718 R CB 0.581 30.798 30.300 -0.139 0.000 0.993 718 R HN 0.914 nan 8.270 nan 0.000 0.459 719 S N 0.951 116.669 115.700 0.030 0.000 2.503 719 S HA -0.040 4.430 4.470 -0.001 0.000 0.217 719 S C 0.277 174.953 174.600 0.128 0.000 0.999 719 S CA -0.008 58.238 58.200 0.075 0.000 0.914 719 S CB -0.272 62.985 63.200 0.095 0.000 0.782 719 S HN 0.843 nan 8.310 nan 0.000 0.520 720 H N -2.117 116.953 119.070 -0.000 0.000 2.895 720 H HA 0.731 5.286 4.556 -0.001 0.000 0.373 720 H C 0.462 175.786 175.328 -0.006 0.000 1.174 720 H CA -0.413 55.633 56.048 -0.003 0.000 1.144 720 H CB 1.158 30.918 29.762 -0.003 0.000 1.793 720 H HN 0.379 nan 8.280 nan 0.000 0.551 721 G N 1.297 110.063 108.800 -0.058 0.000 2.584 721 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.229 721 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.229 721 G C -1.081 173.767 174.900 -0.087 0.000 1.320 721 G CA -0.163 44.874 45.100 -0.106 0.000 0.891 721 G HN 0.879 nan 8.290 nan 0.000 0.573 722 D N 1.353 121.698 120.400 -0.091 0.000 2.389 722 D HA 0.466 5.106 4.640 -0.001 0.000 0.247 722 D C 1.020 177.280 176.300 -0.067 0.000 1.128 722 D CA 0.346 54.306 54.000 -0.068 0.000 0.884 722 D CB 0.654 41.414 40.800 -0.066 0.000 1.194 722 D HN 0.499 nan 8.370 nan 0.000 0.441 723 R N 0.877 121.350 120.500 -0.045 0.000 2.474 723 R HA 0.337 4.676 4.340 -0.001 0.000 0.295 723 R C 0.143 176.430 176.300 -0.020 0.000 0.980 723 R CA -0.631 55.452 56.100 -0.028 0.000 0.934 723 R CB 1.216 31.510 30.300 -0.010 0.000 1.101 723 R HN 0.306 nan 8.270 nan 0.000 0.469 724 S N 0.570 116.269 115.700 -0.002 0.000 2.563 724 S HA 0.296 4.766 4.470 -0.001 0.000 0.284 724 S C 0.414 175.030 174.600 0.028 0.000 1.331 724 S CA 0.031 58.246 58.200 0.026 0.000 1.047 724 S CB 1.174 64.422 63.200 0.080 0.000 0.859 724 S HN 0.786 nan 8.310 nan 0.000 0.514 725 G N 0.029 108.845 108.800 0.028 0.000 2.846 725 G HA2 0.592 4.552 3.960 -0.001 0.000 0.299 725 G HA3 0.592 4.552 3.960 -0.001 0.000 0.299 725 G C 0.574 175.485 174.900 0.019 0.000 1.242 725 G CA -0.132 44.988 45.100 0.034 0.000 0.800 725 G HN 0.705 nan 8.290 nan 0.000 0.538 726 A N -1.259 121.552 122.820 -0.016 0.000 1.978 726 A HA 0.063 4.382 4.320 -0.001 0.000 0.220 726 A C 1.916 179.389 177.584 -0.185 0.000 1.170 726 A CA 2.049 54.010 52.037 -0.127 0.000 0.636 726 A CB -0.636 18.210 19.000 -0.256 0.000 0.810 726 A HN 0.591 nan 8.150 nan 0.000 0.448 727 Y N -0.841 119.406 120.300 -0.088 0.000 2.301 727 Y HA 0.346 4.895 4.550 -0.001 0.000 0.295 727 Y C 0.881 176.685 175.900 -0.160 0.000 1.126 727 Y CA 0.021 58.005 58.100 -0.193 0.000 1.154 727 Y CB -0.144 37.860 38.460 -0.759 0.000 1.075 727 Y HN 0.017 nan 8.280 nan 0.000 0.534 728 L N 0.550 121.742 121.223 -0.053 0.000 2.307 728 L HA 0.221 4.561 4.340 -0.001 0.000 0.282 728 L C -1.141 175.778 176.870 0.082 0.000 1.051 728 L CA -0.596 54.210 54.840 -0.057 0.000 0.804 728 L CB 0.988 42.957 42.059 -0.149 0.000 1.197 728 L HN 0.027 nan 8.230 nan 0.000 0.431 729 F N 4.900 124.791 119.950 -0.098 0.000 2.361 729 F HA 0.478 5.005 4.527 -0.001 0.000 0.364 729 F C -0.681 175.037 175.800 -0.137 0.000 1.117 729 F CA -1.137 56.765 58.000 -0.163 0.000 1.071 729 F CB 0.646 39.482 39.000 -0.274 0.000 1.188 729 F HN 0.216 nan 8.300 nan 0.000 0.464 730 L N 9.098 130.215 121.223 -0.176 0.000 2.556 730 L HA 0.332 4.671 4.340 -0.001 0.000 0.243 730 L C -2.346 174.346 176.870 -0.297 0.000 1.331 730 L CA -1.724 52.962 54.840 -0.257 0.000 0.927 730 L CB 0.956 42.945 42.059 -0.116 0.000 1.219 730 L HN 0.389 nan 8.230 nan 0.000 0.490 731 P HA 0.040 nan 4.420 nan 0.000 0.272 731 P C -0.442 176.776 177.300 -0.137 0.000 1.223 731 P CA -0.285 62.625 63.100 -0.315 0.000 0.784 731 P CB 0.573 31.963 31.700 -0.516 0.000 0.923 732 N N 1.038 119.730 118.700 -0.013 0.000 3.250 732 N HA 0.263 5.002 4.740 -0.001 0.000 0.307 732 N C 0.646 176.172 175.510 0.027 0.000 1.355 732 N CA -0.152 52.897 53.050 -0.002 0.000 1.192 732 N CB -0.864 37.634 38.487 0.019 0.000 1.478 732 N HN 0.736 nan 8.380 nan 0.000 0.543 733 G N 0.707 109.517 108.800 0.017 0.000 2.655 733 G HA2 -0.152 3.807 3.960 -0.001 0.000 0.680 733 G HA3 -0.152 3.807 3.960 -0.001 0.000 0.680 733 G C -3.057 171.913 174.900 0.117 0.000 1.302 733 G CA -1.106 44.019 45.100 0.042 0.000 0.872 733 G HN 0.357 nan 8.290 nan 0.000 0.540 734 P HA 0.446 nan 4.420 nan 0.000 0.269 734 P C 0.555 177.812 177.300 -0.070 0.000 1.217 734 P CA 0.659 63.817 63.100 0.096 0.000 0.783 734 P CB 0.347 32.074 31.700 0.045 0.000 0.898 735 A N 2.091 124.677 122.820 -0.389 0.000 2.425 735 A HA 0.355 4.674 4.320 -0.001 0.000 0.242 735 A C 0.236 177.669 177.584 -0.252 0.000 1.077 735 A CA 0.333 51.991 52.037 -0.632 0.000 0.781 735 A CB -0.286 18.087 19.000 -1.044 0.000 1.020 735 A HN 0.476 nan 8.150 nan 0.000 0.494 736 S N 2.404 117.995 115.700 -0.180 0.000 2.509 736 S HA 0.587 5.056 4.470 -0.001 0.000 0.297 736 S C -2.678 171.886 174.600 -0.061 0.000 1.118 736 S CA -1.007 57.144 58.200 -0.082 0.000 1.074 736 S CB 1.305 64.480 63.200 -0.042 0.000 1.038 736 S HN 0.573 nan 8.310 nan 0.000 0.498 737 P HA 0.103 nan 4.420 nan 0.000 0.268 737 P C -0.708 176.601 177.300 0.014 0.000 1.205 737 P CA -0.339 62.761 63.100 0.000 0.000 0.771 737 P CB 0.287 31.998 31.700 0.019 0.000 0.858 738 V N 3.801 123.736 119.914 0.035 0.000 2.585 738 V HA -0.042 4.077 4.120 -0.001 0.000 0.296 738 V C 0.984 177.094 176.094 0.028 0.000 1.035 738 V CA 0.324 62.643 62.300 0.031 0.000 1.084 738 V CB -0.384 31.465 31.823 0.043 0.000 0.953 738 V HN 0.519 nan 8.190 nan 0.000 0.483 739 E N 4.654 124.864 120.200 0.016 0.000 2.217 739 E HA 0.134 4.483 4.350 -0.001 0.000 0.279 739 E C 0.499 177.107 176.600 0.013 0.000 1.068 739 E CA -0.167 56.244 56.400 0.018 0.000 0.882 739 E CB 0.759 30.467 29.700 0.014 0.000 1.039 739 E HN 0.563 nan 8.360 nan 0.000 0.418 740 L N 2.737 123.974 121.223 0.023 0.000 2.375 740 L HA 0.097 4.437 4.340 -0.001 0.000 0.215 740 L C 1.407 178.290 176.870 0.021 0.000 1.108 740 L CA 0.466 55.316 54.840 0.017 0.000 0.830 740 L CB -0.633 41.447 42.059 0.035 0.000 0.959 740 L HN 0.861 nan 8.230 nan 0.000 0.457 741 G N 0.715 109.531 108.800 0.027 0.000 2.574 741 G HA2 -0.408 3.552 3.960 -0.001 0.000 0.286 741 G HA3 -0.408 3.552 3.960 -0.001 0.000 0.286 741 G C 0.068 174.992 174.900 0.039 0.000 1.212 741 G CA 0.268 45.387 45.100 0.032 0.000 0.979 741 G HN 0.357 nan 8.290 nan 0.000 0.557 742 Q N 1.627 121.453 119.800 0.044 0.000 2.700 742 Q HA 0.479 4.818 4.340 -0.001 0.000 0.249 742 Q C -2.195 173.842 176.000 0.063 0.000 1.033 742 Q CA -1.616 54.218 55.803 0.051 0.000 0.804 742 Q CB 1.192 29.958 28.738 0.046 0.000 1.164 742 Q HN 0.601 nan 8.270 nan 0.000 0.500 743 P HA 0.078 nan 4.420 nan 0.000 0.274 743 P C -0.535 176.832 177.300 0.111 0.000 1.237 743 P CA -0.326 62.822 63.100 0.080 0.000 0.793 743 P CB 1.113 32.842 31.700 0.047 0.000 0.977 744 V N 1.987 122.005 119.914 0.173 0.000 2.530 744 V HA 0.145 4.265 4.120 -0.001 0.000 0.282 744 V C 0.496 176.747 176.094 0.262 0.000 1.048 744 V CA -0.249 62.178 62.300 0.212 0.000 0.997 744 V CB 1.215 33.204 31.823 0.277 0.000 0.987 744 V HN 0.257 nan 8.190 nan 0.000 0.477 745 V N 6.242 126.256 119.914 0.166 0.000 2.495 745 V HA 0.484 4.604 4.120 -0.001 0.000 0.298 745 V C -0.447 175.676 176.094 0.049 0.000 1.031 745 V CA -0.634 61.740 62.300 0.124 0.000 0.871 745 V CB 1.714 33.569 31.823 0.052 0.000 0.988 745 V HN 0.673 nan 8.190 nan 0.000 0.432 746 L N 6.498 127.746 121.223 0.042 0.000 2.305 746 L HA 0.735 5.074 4.340 -0.001 0.000 0.284 746 L C -0.657 176.111 176.870 -0.171 0.000 1.013 746 L CA -0.012 54.731 54.840 -0.162 0.000 0.819 746 L CB 1.774 43.642 42.059 -0.320 0.000 1.227 746 L HN 0.443 nan 8.230 nan 0.000 0.417 747 V N 4.081 123.884 119.914 -0.186 0.000 2.384 747 V HA 0.550 4.669 4.120 -0.001 0.000 0.287 747 V C -0.017 176.015 176.094 -0.104 0.000 1.020 747 V CA -0.395 61.817 62.300 -0.147 0.000 0.850 747 V CB 1.549 33.301 31.823 -0.117 0.000 0.987 747 V HN 0.841 nan 8.190 nan 0.000 0.436 748 T N 5.356 119.878 114.554 -0.055 0.000 2.779 748 T HA 0.442 4.791 4.350 -0.001 0.000 0.280 748 T C -0.404 174.330 174.700 0.056 0.000 0.987 748 T CA -0.572 61.551 62.100 0.038 0.000 0.966 748 T CB 1.172 70.103 68.868 0.104 0.000 0.933 748 T HN 0.648 nan 8.240 nan 0.000 0.442 749 K N 2.401 122.850 120.400 0.082 0.000 2.450 749 K HA 0.677 4.996 4.320 -0.001 0.000 0.257 749 K C -0.404 176.258 176.600 0.103 0.000 0.953 749 K CA -0.573 55.762 56.287 0.080 0.000 0.844 749 K CB 1.012 33.551 32.500 0.065 0.000 1.103 749 K HN 0.800 nan 8.250 nan 0.000 0.429 750 G N 2.193 111.051 108.800 0.096 0.000 2.680 750 G HA2 0.173 4.133 3.960 -0.001 0.000 0.290 750 G HA3 0.173 4.133 3.960 -0.001 0.000 0.290 750 G C -0.227 174.720 174.900 0.077 0.000 1.355 750 G CA -0.615 44.542 45.100 0.096 0.000 0.903 750 G HN 0.646 nan 8.290 nan 0.000 0.474 751 K N -0.353 120.088 120.400 0.067 0.000 2.097 751 K HA 0.115 4.435 4.320 -0.001 0.000 0.205 751 K C 1.767 178.403 176.600 0.060 0.000 1.050 751 K CA 1.046 57.368 56.287 0.059 0.000 0.938 751 K CB -0.149 32.381 32.500 0.050 0.000 0.718 751 K HN 0.435 nan 8.250 nan 0.000 0.442 752 L N -0.693 120.567 121.223 0.062 0.000 2.357 752 L HA 0.193 4.532 4.340 -0.001 0.000 0.211 752 L C 0.646 177.553 176.870 0.062 0.000 1.075 752 L CA 0.155 55.032 54.840 0.062 0.000 0.830 752 L CB 0.319 42.417 42.059 0.065 0.000 0.996 752 L HN 0.161 nan 8.230 nan 0.000 0.467 753 E N -0.292 119.950 120.200 0.070 0.000 2.304 753 E HA 0.404 4.754 4.350 -0.001 0.000 0.277 753 E C -1.469 175.180 176.600 0.082 0.000 0.898 753 E CA -0.226 56.217 56.400 0.072 0.000 0.764 753 E CB 2.164 31.907 29.700 0.071 0.000 1.216 753 E HN -0.114 nan 8.360 nan 0.000 0.419 754 S N 1.448 117.194 115.700 0.077 0.000 2.634 754 S HA 0.724 5.193 4.470 -0.001 0.000 0.296 754 S C -1.303 173.329 174.600 0.053 0.000 1.104 754 S CA -0.726 57.516 58.200 0.070 0.000 0.920 754 S CB 1.948 65.190 63.200 0.070 0.000 1.111 754 S HN 0.386 nan 8.310 nan 0.000 0.493 755 S N 0.716 116.425 115.700 0.015 0.000 2.533 755 S HA 0.647 5.116 4.470 -0.001 0.000 0.271 755 S C -1.816 172.703 174.600 -0.136 0.000 1.143 755 S CA -0.478 57.707 58.200 -0.025 0.000 0.891 755 S CB 1.045 64.256 63.200 0.018 0.000 1.105 755 S HN 0.450 nan 8.310 nan 0.000 0.468 756 V N 3.674 123.441 119.914 -0.245 0.000 2.444 756 V HA 0.663 4.782 4.120 -0.001 0.000 0.294 756 V C -0.373 175.592 176.094 -0.216 0.000 1.022 756 V CA -0.502 61.581 62.300 -0.361 0.000 0.850 756 V CB 1.629 32.910 31.823 -0.902 0.000 0.992 756 V HN 0.863 nan 8.190 nan 0.000 0.426 757 S N 3.271 118.904 115.700 -0.112 0.000 2.513 757 S HA 0.780 5.249 4.470 -0.001 0.000 0.299 757 S C -0.824 173.725 174.600 -0.086 0.000 1.087 757 S CA -0.613 57.532 58.200 -0.091 0.000 1.012 757 S CB 2.147 65.399 63.200 0.086 0.000 1.044 757 S HN 0.650 nan 8.310 nan 0.000 0.485 758 V N 2.076 121.815 119.914 -0.291 0.000 2.760 758 V HA 0.811 4.931 4.120 -0.001 0.000 0.309 758 V C -0.041 175.697 176.094 -0.592 0.000 1.077 758 V CA -0.428 61.709 62.300 -0.271 0.000 0.910 758 V CB 1.775 33.572 31.823 -0.043 0.000 1.008 758 V HN 0.991 nan 8.190 nan 0.000 0.424 759 G N 7.028 115.504 108.800 -0.539 0.000 2.546 759 G HA2 0.529 4.488 3.960 -0.001 0.000 0.320 759 G HA3 0.529 4.488 3.960 -0.001 0.000 0.320 759 G C -0.541 174.244 174.900 -0.192 0.000 0.984 759 G CA -0.332 44.508 45.100 -0.434 0.000 1.183 759 G HN 0.702 nan 8.290 nan 0.000 0.443 760 L N 2.738 123.801 121.223 -0.267 0.000 2.387 760 L HA 0.393 4.733 4.340 -0.001 0.000 0.266 760 L C -1.995 174.748 176.870 -0.211 0.000 1.059 760 L CA -2.345 52.360 54.840 -0.225 0.000 0.801 760 L CB 1.775 43.625 42.059 -0.348 0.000 1.223 760 L HN 0.208 nan 8.230 nan 0.000 0.456 761 P HA 0.058 nan 4.420 nan 0.000 0.262 761 P C 0.052 177.240 177.300 -0.187 0.000 1.199 761 P CA 0.446 63.455 63.100 -0.152 0.000 0.763 761 P CB 0.861 32.501 31.700 -0.099 0.000 0.790 762 S N -0.144 115.446 115.700 -0.184 0.000 2.929 762 S HA -0.113 4.356 4.470 -0.001 0.000 0.271 762 S C 0.214 174.695 174.600 -0.200 0.000 1.295 762 S CA 1.215 59.318 58.200 -0.163 0.000 1.277 762 S CB -1.583 61.552 63.200 -0.109 0.000 1.557 762 S HN 0.402 nan 8.310 nan 0.000 0.666 763 V N 1.357 121.096 119.914 -0.291 0.000 2.655 763 V HA 0.438 4.557 4.120 -0.001 0.000 0.301 763 V C -0.209 175.656 176.094 -0.381 0.000 1.082 763 V CA -0.815 61.274 62.300 -0.352 0.000 0.899 763 V CB 2.085 33.538 31.823 -0.616 0.000 1.014 763 V HN 0.116 nan 8.190 nan 0.000 0.429 764 V N 4.129 123.836 119.914 -0.345 0.000 2.368 764 V HA 0.300 4.419 4.120 -0.001 0.000 0.266 764 V C -0.087 175.805 176.094 -0.337 0.000 1.045 764 V CA -0.294 61.707 62.300 -0.499 0.000 0.899 764 V CB 0.568 31.996 31.823 -0.658 0.000 1.006 764 V HN 0.933 nan 8.190 nan 0.000 0.470 765 H N 4.461 123.279 119.070 -0.421 0.000 2.467 765 H HA 0.588 5.144 4.556 -0.001 0.000 0.326 765 H C -0.408 174.809 175.328 -0.186 0.000 1.094 765 H CA -0.184 55.718 56.048 -0.244 0.000 1.253 765 H CB 1.171 30.810 29.762 -0.206 0.000 1.439 765 H HN 0.686 nan 8.280 nan 0.000 0.479 766 Q N 3.919 123.424 119.800 -0.491 0.000 2.323 766 Q HA 0.373 4.713 4.340 -0.001 0.000 0.271 766 Q C -1.344 174.461 176.000 -0.325 0.000 1.048 766 Q CA -0.918 54.685 55.803 -0.334 0.000 0.792 766 Q CB 1.646 30.295 28.738 -0.148 0.000 1.280 766 Q HN 0.764 nan 8.270 nan 0.000 0.441 767 T N 4.836 119.279 114.554 -0.185 0.000 2.772 767 T HA 0.535 4.885 4.350 -0.001 0.000 0.288 767 T C -0.344 174.389 174.700 0.055 0.000 0.994 767 T CA -0.316 61.795 62.100 0.018 0.000 0.951 767 T CB 0.287 69.332 68.868 0.294 0.000 0.933 767 T HN 0.449 nan 8.240 nan 0.000 0.447 768 I N 3.720 124.336 120.570 0.077 0.000 2.433 768 I HA 0.496 4.665 4.170 -0.001 0.000 0.292 768 I C -0.212 175.964 176.117 0.098 0.000 1.001 768 I CA -0.792 60.551 61.300 0.073 0.000 1.119 768 I CB 1.747 39.781 38.000 0.057 0.000 1.289 768 I HN 0.385 nan 8.210 nan 0.000 0.438 769 M N 5.970 125.627 119.600 0.096 0.000 2.253 769 M HA 0.486 4.966 4.480 -0.001 0.000 0.314 769 M C 0.097 176.443 176.300 0.076 0.000 1.019 769 M CA -0.381 54.978 55.300 0.098 0.000 0.932 769 M CB 2.208 34.882 32.600 0.122 0.000 1.606 769 M HN 0.502 nan 8.290 nan 0.000 0.430 770 R N 1.058 121.596 120.500 0.065 0.000 2.572 770 R HA 0.356 4.695 4.340 -0.001 0.000 0.370 770 R C 0.815 177.145 176.300 0.049 0.000 1.005 770 R CA 0.244 56.375 56.100 0.052 0.000 1.146 770 R CB 1.134 31.457 30.300 0.040 0.000 1.390 770 R HN 1.145 nan 8.270 nan 0.000 0.553 771 G N -0.248 108.583 108.800 0.052 0.000 2.211 771 G HA2 -0.196 3.764 3.960 -0.001 0.000 0.201 771 G HA3 -0.196 3.764 3.960 -0.001 0.000 0.201 771 G C 0.290 175.213 174.900 0.037 0.000 0.997 771 G CA -0.390 44.737 45.100 0.045 0.000 0.652 771 G HN 0.517 nan 8.290 nan 0.000 0.500 772 G N -0.097 108.726 108.800 0.039 0.000 3.212 772 G HA2 0.804 4.763 3.960 -0.001 0.000 0.188 772 G HA3 0.804 4.763 3.960 -0.001 0.000 0.188 772 G C 0.497 175.419 174.900 0.037 0.000 1.254 772 G CA 0.376 45.495 45.100 0.031 0.000 0.957 772 G HN 1.531 nan 8.290 nan 0.000 0.596 773 A N 1.331 124.171 122.820 0.032 0.000 2.565 773 A HA 0.491 4.811 4.320 -0.001 0.000 0.237 773 A C -1.676 175.948 177.584 0.066 0.000 1.053 773 A CA -0.393 51.669 52.037 0.041 0.000 0.755 773 A CB -0.471 18.551 19.000 0.036 0.000 0.980 773 A HN 0.409 nan 8.150 nan 0.000 0.506 774 P HA 0.119 nan 4.420 nan 0.000 0.272 774 P C -0.461 176.913 177.300 0.124 0.000 1.230 774 P CA -0.183 62.986 63.100 0.115 0.000 0.788 774 P CB 0.645 32.437 31.700 0.152 0.000 0.949 775 E N 1.396 121.666 120.200 0.118 0.000 2.175 775 E HA 0.360 4.710 4.350 -0.001 0.000 0.278 775 E C -0.741 175.941 176.600 0.136 0.000 0.969 775 E CA -0.716 55.758 56.400 0.124 0.000 0.796 775 E CB 0.541 30.291 29.700 0.083 0.000 1.104 775 E HN 0.218 nan 8.360 nan 0.000 0.395 776 I N 4.294 124.979 120.570 0.193 0.000 2.377 776 I HA 0.402 4.571 4.170 -0.001 0.000 0.293 776 I C 0.017 176.266 176.117 0.220 0.000 0.987 776 I CA -0.589 60.807 61.300 0.161 0.000 1.185 776 I CB 1.214 39.316 38.000 0.169 0.000 1.341 776 I HN 0.553 nan 8.210 nan 0.000 0.455 777 R N 4.697 125.254 120.500 0.096 0.000 2.534 777 R HA 0.501 4.841 4.340 -0.001 0.000 0.301 777 R C -0.926 175.434 176.300 0.099 0.000 0.961 777 R CA -0.850 55.321 56.100 0.117 0.000 0.871 777 R CB 2.020 32.347 30.300 0.045 0.000 1.170 777 R HN 0.460 nan 8.270 nan 0.000 0.446 778 N N 2.602 121.420 118.700 0.197 0.000 2.407 778 N HA 0.195 4.934 4.740 -0.001 0.000 0.277 778 N C -1.269 174.263 175.510 0.036 0.000 0.995 778 N CA -0.705 52.434 53.050 0.147 0.000 0.903 778 N CB 1.883 40.558 38.487 0.313 0.000 1.218 778 N HN 0.327 nan 8.380 nan 0.000 0.487 779 L N 3.693 124.881 121.223 -0.059 0.000 2.282 779 L HA 0.366 4.706 4.340 -0.001 0.000 0.287 779 L C -0.998 175.809 176.870 -0.105 0.000 1.075 779 L CA -0.437 54.350 54.840 -0.089 0.000 0.839 779 L CB 0.424 42.426 42.059 -0.095 0.000 1.219 779 L HN 0.213 nan 8.230 nan 0.000 0.434 780 V N 4.622 124.476 119.914 -0.100 0.000 2.350 780 V HA 0.378 4.498 4.120 -0.001 0.000 0.276 780 V C -0.458 175.597 176.094 -0.065 0.000 1.028 780 V CA -0.488 61.767 62.300 -0.074 0.000 0.860 780 V CB 1.262 33.070 31.823 -0.026 0.000 0.990 780 V HN 0.689 nan 8.190 nan 0.000 0.453 781 D N 4.043 124.401 120.400 -0.069 0.000 2.375 781 D HA 0.261 4.900 4.640 -0.001 0.000 0.259 781 D C 0.527 176.796 176.300 -0.052 0.000 1.235 781 D CA -0.409 53.558 54.000 -0.055 0.000 0.924 781 D CB 1.339 42.101 40.800 -0.064 0.000 1.143 781 D HN 0.462 nan 8.370 nan 0.000 0.529 782 I N 2.345 122.902 120.570 -0.021 0.000 3.083 782 I HA 0.060 4.229 4.170 -0.001 0.000 0.273 782 I C 1.398 177.504 176.117 -0.019 0.000 1.297 782 I CA 1.122 62.416 61.300 -0.011 0.000 1.452 782 I CB -0.233 37.781 38.000 0.024 0.000 1.078 782 I HN 0.622 nan 8.210 nan 0.000 0.484 783 G N 0.836 109.621 108.800 -0.025 0.000 2.622 783 G HA2 -0.438 3.521 3.960 -0.001 0.000 0.307 783 G HA3 -0.438 3.521 3.960 -0.001 0.000 0.307 783 G C 0.592 175.487 174.900 -0.008 0.000 1.226 783 G CA 0.503 45.587 45.100 -0.026 0.000 0.997 783 G HN 0.690 nan 8.290 nan 0.000 0.551 784 S N -0.062 115.633 115.700 -0.008 0.000 2.574 784 S HA 0.534 5.004 4.470 -0.001 0.000 0.242 784 S C 0.833 175.438 174.600 0.007 0.000 0.982 784 S CA 0.081 58.283 58.200 0.004 0.000 0.977 784 S CB 0.076 63.279 63.200 0.006 0.000 0.814 784 S HN 0.688 nan 8.310 nan 0.000 0.464 785 L N 3.030 124.256 121.223 0.006 0.000 2.451 785 L HA 0.253 4.593 4.340 -0.001 0.000 0.272 785 L C -0.352 176.534 176.870 0.026 0.000 1.258 785 L CA -0.324 54.524 54.840 0.013 0.000 1.132 785 L CB -0.772 41.293 42.059 0.011 0.000 1.361 785 L HN 0.145 nan 8.230 nan 0.000 0.438 786 D N 2.608 123.023 120.400 0.026 0.000 2.423 786 D HA -0.020 4.619 4.640 -0.001 0.000 0.238 786 D C 0.741 177.065 176.300 0.040 0.000 1.142 786 D CA 0.333 54.352 54.000 0.032 0.000 0.884 786 D CB 0.305 41.122 40.800 0.028 0.000 1.199 786 D HN 0.314 nan 8.370 nan 0.000 0.438 787 N N 0.394 119.122 118.700 0.047 0.000 2.725 787 N HA -0.174 4.566 4.740 -0.001 0.000 0.251 787 N C -0.941 174.613 175.510 0.073 0.000 1.031 787 N CA 0.859 53.944 53.050 0.057 0.000 0.720 787 N CB -1.265 37.252 38.487 0.048 0.000 0.930 787 N HN 0.296 nan 8.380 nan 0.000 0.543 788 T N 0.416 115.016 114.554 0.078 0.000 2.886 788 T HA 0.421 4.770 4.350 -0.001 0.000 0.292 788 T C -0.264 174.501 174.700 0.109 0.000 1.012 788 T CA -0.725 61.432 62.100 0.095 0.000 0.982 788 T CB 2.352 71.261 68.868 0.069 0.000 1.018 788 T HN 0.023 nan 8.240 nan 0.000 0.451 789 E N 2.455 122.749 120.200 0.157 0.000 2.191 789 E HA 0.407 4.756 4.350 -0.001 0.000 0.263 789 E C -0.715 176.002 176.600 0.194 0.000 0.881 789 E CA -0.891 55.600 56.400 0.151 0.000 0.757 789 E CB 1.875 31.645 29.700 0.116 0.000 1.147 789 E HN 0.335 nan 8.360 nan 0.000 0.414 790 I N 3.034 123.701 120.570 0.162 0.000 2.315 790 I HA 0.243 4.412 4.170 -0.001 0.000 0.291 790 I C 0.067 176.315 176.117 0.219 0.000 1.006 790 I CA -0.612 60.795 61.300 0.180 0.000 1.265 790 I CB 1.225 39.319 38.000 0.157 0.000 1.387 790 I HN 0.287 nan 8.210 nan 0.000 0.475 791 V N 8.254 128.297 119.914 0.215 0.000 2.628 791 V HA 0.503 4.623 4.120 -0.001 0.000 0.306 791 V C -0.290 175.827 176.094 0.037 0.000 1.045 791 V CA -0.788 61.623 62.300 0.184 0.000 0.905 791 V CB 2.251 34.244 31.823 0.283 0.000 0.997 791 V HN 0.770 nan 8.190 nan 0.000 0.436 792 M N 7.299 126.844 119.600 -0.091 0.000 2.129 792 M HA 0.560 5.039 4.480 -0.001 0.000 0.348 792 M C -0.547 175.600 176.300 -0.255 0.000 1.116 792 M CA -0.411 54.606 55.300 -0.471 0.000 1.022 792 M CB 0.574 32.852 32.600 -0.536 0.000 1.599 792 M HN 0.747 nan 8.290 nan 0.000 0.449 793 R N 4.635 124.973 120.500 -0.269 0.000 2.637 793 R HA 0.706 5.045 4.340 -0.001 0.000 0.291 793 R C -1.969 174.239 176.300 -0.152 0.000 0.963 793 R CA -0.634 55.377 56.100 -0.148 0.000 0.901 793 R CB 1.522 31.753 30.300 -0.116 0.000 1.160 793 R HN 0.801 nan 8.270 nan 0.000 0.457 794 L N 3.219 124.336 121.223 -0.178 0.000 2.313 794 L HA 0.425 4.764 4.340 -0.001 0.000 0.283 794 L C -0.540 176.222 176.870 -0.179 0.000 1.013 794 L CA -0.422 54.242 54.840 -0.292 0.000 0.816 794 L CB 1.962 43.800 42.059 -0.368 0.000 1.236 794 L HN 0.607 nan 8.230 nan 0.000 0.419 795 E N 2.126 122.237 120.200 -0.148 0.000 2.158 795 E HA 0.519 4.869 4.350 -0.001 0.000 0.271 795 E C -0.592 175.950 176.600 -0.097 0.000 0.911 795 E CA -0.506 55.859 56.400 -0.059 0.000 0.767 795 E CB 2.118 31.836 29.700 0.029 0.000 1.120 795 E HN 0.613 nan 8.360 nan 0.000 0.405 796 T N -0.877 113.631 114.554 -0.076 0.000 2.804 796 T HA 0.333 4.683 4.350 -0.001 0.000 0.290 796 T C -0.149 174.547 174.700 -0.005 0.000 1.099 796 T CA -0.863 61.149 62.100 -0.147 0.000 1.011 796 T CB 1.144 69.951 68.868 -0.102 0.000 1.291 796 T HN 0.432 nan 8.240 nan 0.000 0.523 797 H N 0.341 119.402 119.070 -0.016 0.000 2.490 797 H HA 0.459 5.014 4.556 -0.001 0.000 0.285 797 H C -0.056 175.271 175.328 -0.002 0.000 1.127 797 H CA -0.940 55.103 56.048 -0.007 0.000 0.993 797 H CB -0.788 28.970 29.762 -0.006 0.000 1.653 797 H HN 0.472 nan 8.280 nan 0.000 0.557 798 I N 1.336 121.957 120.570 0.085 0.000 2.533 798 I HA -0.088 4.082 4.170 -0.001 0.000 0.284 798 I C 0.778 176.938 176.117 0.071 0.000 1.109 798 I CA 0.079 61.417 61.300 0.063 0.000 1.412 798 I CB 0.637 38.664 38.000 0.045 0.000 1.396 798 I HN 0.026 nan 8.210 nan 0.000 0.543 799 D N 4.484 124.922 120.400 0.064 0.000 2.845 799 D HA 0.020 4.659 4.640 -0.001 0.000 0.235 799 D C 1.297 177.638 176.300 0.067 0.000 1.158 799 D CA -0.004 54.031 54.000 0.058 0.000 0.990 799 D CB 0.325 41.153 40.800 0.046 0.000 1.094 799 D HN 0.547 nan 8.370 nan 0.000 0.486 800 S N 0.050 115.796 115.700 0.077 0.000 2.496 800 S HA 0.214 4.684 4.470 -0.001 0.000 0.224 800 S C 1.642 176.295 174.600 0.087 0.000 0.996 800 S CA 0.296 58.555 58.200 0.099 0.000 0.927 800 S CB -0.220 63.051 63.200 0.118 0.000 0.774 800 S HN 0.518 nan 8.310 nan 0.000 0.524 801 G N 3.193 112.034 108.800 0.067 0.000 2.574 801 G HA2 -0.397 3.563 3.960 -0.001 0.000 0.301 801 G HA3 -0.397 3.563 3.960 -0.001 0.000 0.301 801 G C 0.161 175.103 174.900 0.070 0.000 1.166 801 G CA 0.609 45.744 45.100 0.059 0.000 0.971 801 G HN 0.782 nan 8.290 nan 0.000 0.542 802 D N 0.199 120.645 120.400 0.076 0.000 2.440 802 D HA 0.356 4.996 4.640 -0.001 0.000 0.216 802 D C 0.667 177.048 176.300 0.136 0.000 1.150 802 D CA -0.230 53.833 54.000 0.103 0.000 0.832 802 D CB 0.256 41.103 40.800 0.078 0.000 0.992 802 D HN 0.461 nan 8.370 nan 0.000 0.502 803 I N 1.463 122.100 120.570 0.111 0.000 2.460 803 I HA 0.504 4.673 4.170 -0.001 0.000 0.298 803 I C -0.282 175.926 176.117 0.152 0.000 0.989 803 I CA -1.022 60.291 61.300 0.021 0.000 1.173 803 I CB 0.724 38.705 38.000 -0.032 0.000 1.338 803 I HN -0.035 nan 8.210 nan 0.000 0.456 804 F N 4.440 124.218 119.950 -0.286 0.000 2.711 804 F HA 0.689 5.215 4.527 -0.001 0.000 0.313 804 F C -2.049 173.409 175.800 -0.570 0.000 1.141 804 F CA -1.422 56.431 58.000 -0.245 0.000 0.941 804 F CB 1.191 40.114 39.000 -0.128 0.000 1.349 804 F HN 0.184 nan 8.300 nan 0.000 0.464 805 Y N 0.065 120.138 120.300 -0.379 0.000 2.425 805 Y HA 0.682 5.231 4.550 -0.001 0.000 0.344 805 Y C 0.051 175.773 175.900 -0.297 0.000 0.969 805 Y CA -0.686 57.054 58.100 -0.600 0.000 1.052 805 Y CB 2.429 40.115 38.460 -1.290 0.000 1.215 805 Y HN 0.901 nan 8.280 nan 0.000 0.451 806 T N -1.346 113.135 114.554 -0.122 0.000 2.906 806 T HA 0.484 4.833 4.350 -0.001 0.000 0.295 806 T C -1.054 173.485 174.700 -0.268 0.000 1.075 806 T CA -1.073 60.981 62.100 -0.076 0.000 1.005 806 T CB 2.020 70.818 68.868 -0.118 0.000 1.136 806 T HN 0.580 nan 8.240 nan 0.000 0.498 807 D N 1.064 121.159 120.400 -0.509 0.000 2.340 807 D HA 0.364 5.004 4.640 -0.001 0.000 0.251 807 D C -0.596 175.449 176.300 -0.426 0.000 1.080 807 D CA -0.806 52.706 54.000 -0.812 0.000 0.971 807 D CB 1.228 41.287 40.800 -1.235 0.000 1.137 807 D HN 0.556 nan 8.370 nan 0.000 0.475 808 L N 0.914 121.927 121.223 -0.350 0.000 2.316 808 L HA 0.214 4.554 4.340 -0.001 0.000 0.280 808 L C -0.121 176.628 176.870 -0.202 0.000 1.006 808 L CA -0.766 53.956 54.840 -0.197 0.000 0.836 808 L CB 0.436 42.441 42.059 -0.089 0.000 1.221 808 L HN 0.456 nan 8.230 nan 0.000 0.418 809 N N 2.140 120.727 118.700 -0.189 0.000 2.714 809 N HA -0.230 4.510 4.740 -0.001 0.000 0.250 809 N C 0.971 176.267 175.510 -0.357 0.000 1.117 809 N CA 0.910 53.846 53.050 -0.190 0.000 0.719 809 N CB -1.081 37.371 38.487 -0.058 0.000 1.081 809 N HN 1.075 nan 8.380 nan 0.000 0.557 810 G N -1.648 106.944 108.800 -0.347 0.000 2.155 810 G HA2 -0.335 3.625 3.960 -0.001 0.000 0.257 810 G HA3 -0.335 3.625 3.960 -0.001 0.000 0.257 810 G C 0.623 175.498 174.900 -0.043 0.000 0.983 810 G CA 0.666 45.587 45.100 -0.299 0.000 0.676 810 G HN 0.483 nan 8.290 nan 0.000 0.528 811 L N -0.296 120.842 121.223 -0.142 0.000 2.467 811 L HA 0.502 4.842 4.340 -0.001 0.000 0.213 811 L C 0.973 177.727 176.870 -0.194 0.000 1.053 811 L CA 1.975 56.648 54.840 -0.278 0.000 0.847 811 L CB 0.151 41.891 42.059 -0.531 0.000 1.075 811 L HN 0.716 nan 8.230 nan 0.000 0.479 812 Q N -1.807 117.882 119.800 -0.184 0.000 2.472 812 Q HA 0.347 4.686 4.340 -0.001 0.000 0.281 812 Q C -1.713 174.173 176.000 -0.191 0.000 0.997 812 Q CA -0.729 55.030 55.803 -0.073 0.000 0.828 812 Q CB 1.036 29.790 28.738 0.026 0.000 1.443 812 Q HN -0.043 nan 8.270 nan 0.000 0.390 813 F N 1.366 121.279 119.950 -0.062 0.000 2.436 813 F HA 0.602 5.128 4.527 -0.001 0.000 0.340 813 F C -0.180 175.587 175.800 -0.055 0.000 1.113 813 F CA -0.835 57.139 58.000 -0.044 0.000 1.022 813 F CB 1.686 40.705 39.000 0.031 0.000 1.128 813 F HN 0.542 nan 8.300 nan 0.000 0.466 814 I N 3.801 124.380 120.570 0.015 0.000 2.474 814 I HA 0.334 4.504 4.170 -0.001 0.000 0.294 814 I C -0.459 175.519 176.117 -0.232 0.000 1.005 814 I CA -0.867 60.389 61.300 -0.074 0.000 1.113 814 I CB 1.255 39.164 38.000 -0.151 0.000 1.289 814 I HN 0.504 nan 8.210 nan 0.000 0.436 815 K N 6.731 126.951 120.400 -0.300 0.000 2.412 815 K HA 0.245 4.564 4.320 -0.001 0.000 0.281 815 K C -0.840 175.316 176.600 -0.739 0.000 1.027 815 K CA -0.342 55.497 56.287 -0.748 0.000 0.989 815 K CB 0.500 32.697 32.500 -0.505 0.000 0.935 815 K HN 0.501 nan 8.250 nan 0.000 0.475 816 R N 3.319 123.200 120.500 -1.032 0.000 2.664 816 R HA 0.336 4.676 4.340 -0.001 0.000 0.286 816 R C -0.481 175.334 176.300 -0.809 0.000 0.967 816 R CA -0.771 54.658 56.100 -1.118 0.000 0.933 816 R CB 1.517 30.610 30.300 -2.012 0.000 1.146 816 R HN 0.656 nan 8.270 nan 0.000 0.468 817 R N 1.671 121.910 120.500 -0.434 0.000 2.439 817 R HA 0.282 4.622 4.340 -0.001 0.000 0.310 817 R C -0.439 175.904 176.300 0.071 0.000 0.955 817 R CA -0.686 55.331 56.100 -0.140 0.000 0.853 817 R CB 1.430 31.689 30.300 -0.069 0.000 1.171 817 R HN 0.567 nan 8.270 nan 0.000 0.449 818 R N 4.809 125.456 120.500 0.244 0.000 2.522 818 R HA 0.106 4.445 4.340 -0.001 0.000 0.284 818 R C -0.993 175.394 176.300 0.145 0.000 1.032 818 R CA 0.232 56.508 56.100 0.292 0.000 1.049 818 R CB 0.407 30.862 30.300 0.260 0.000 0.956 818 R HN 0.536 nan 8.270 nan 0.000 0.422 819 L N 5.015 126.302 121.223 0.107 0.000 2.342 819 L HA 0.227 4.567 4.340 -0.001 0.000 0.276 819 L C 0.054 176.918 176.870 -0.009 0.000 0.997 819 L CA -0.714 54.145 54.840 0.031 0.000 0.838 819 L CB 1.946 43.995 42.059 -0.016 0.000 1.224 819 L HN 0.696 nan 8.230 nan 0.000 0.416 820 D N 1.583 121.984 120.400 0.003 0.000 2.312 820 D HA -0.123 4.517 4.640 -0.001 0.000 0.211 820 D C 1.762 178.045 176.300 -0.029 0.000 0.964 820 D CA 0.844 54.839 54.000 -0.007 0.000 0.877 820 D CB 0.351 41.156 40.800 0.008 0.000 0.924 820 D HN 0.555 nan 8.370 nan 0.000 0.515 821 K N 0.208 120.583 120.400 -0.042 0.000 2.439 821 K HA -0.009 4.311 4.320 -0.001 0.000 0.197 821 K C 0.705 177.242 176.600 -0.105 0.000 1.041 821 K CA 0.409 56.667 56.287 -0.050 0.000 0.970 821 K CB 0.271 32.756 32.500 -0.025 0.000 0.773 821 K HN 0.113 nan 8.250 nan 0.000 0.479 822 L N 2.218 123.340 121.223 -0.169 0.000 2.334 822 L HA 0.448 4.788 4.340 -0.001 0.000 0.270 822 L C -2.219 174.542 176.870 -0.182 0.000 1.018 822 L CA -2.929 51.767 54.840 -0.240 0.000 0.811 822 L CB 1.281 43.097 42.059 -0.406 0.000 1.271 822 L HN -0.044 nan 8.230 nan 0.000 0.443 823 P HA 0.032 nan 4.420 nan 0.000 0.272 823 P C 0.843 178.017 177.300 -0.209 0.000 1.240 823 P CA -0.377 62.624 63.100 -0.166 0.000 0.791 823 P CB 1.139 32.765 31.700 -0.124 0.000 0.978 824 L N 0.872 122.001 121.223 -0.157 0.000 2.021 824 L HA -0.286 4.054 4.340 -0.001 0.000 0.215 824 L C 2.474 179.258 176.870 -0.144 0.000 1.074 824 L CA 1.952 56.723 54.840 -0.115 0.000 0.760 824 L CB -0.640 41.346 42.059 -0.120 0.000 0.889 824 L HN 0.433 nan 8.230 nan 0.000 0.433 825 Q N -0.335 119.274 119.800 -0.317 0.000 2.291 825 Q HA -0.164 4.176 4.340 -0.001 0.000 0.205 825 Q C 1.883 177.791 176.000 -0.154 0.000 0.970 825 Q CA 1.462 57.115 55.803 -0.248 0.000 0.876 825 Q CB -0.519 28.002 28.738 -0.362 0.000 0.935 825 Q HN 0.610 nan 8.270 nan 0.000 0.455 826 A N 1.575 124.092 122.820 -0.504 0.000 2.066 826 A HA -0.062 4.257 4.320 -0.001 0.000 0.218 826 A C 1.678 179.084 177.584 -0.297 0.000 1.157 826 A CA 0.888 52.480 52.037 -0.741 0.000 0.670 826 A CB -0.225 17.987 19.000 -1.313 0.000 0.804 826 A HN 0.358 nan 8.150 nan 0.000 0.453 827 N N -1.252 117.387 118.700 -0.101 0.000 2.398 827 N HA 0.046 4.786 4.740 -0.001 0.000 0.188 827 N C -0.787 174.830 175.510 0.179 0.000 1.122 827 N CA 0.193 53.302 53.050 0.098 0.000 0.866 827 N CB 0.037 38.627 38.487 0.172 0.000 0.970 827 N HN 0.460 nan 8.380 nan 0.000 0.462 828 Y N 0.331 120.603 120.300 -0.045 0.000 2.319 828 Y HA 0.172 4.722 4.550 -0.001 0.000 0.328 828 Y C -0.143 175.716 175.900 -0.068 0.000 1.133 828 Y CA -0.018 58.132 58.100 0.083 0.000 1.265 828 Y CB 0.339 38.913 38.460 0.189 0.000 1.218 828 Y HN -0.065 nan 8.280 nan 0.000 0.508 829 Y N 3.147 123.592 120.300 0.242 0.000 2.605 829 Y HA 0.447 4.997 4.550 -0.001 0.000 0.343 829 Y C -2.294 173.322 175.900 -0.473 0.000 1.036 829 Y CA -2.957 55.141 58.100 -0.004 0.000 1.065 829 Y CB 1.437 39.885 38.460 -0.020 0.000 1.288 829 Y HN 0.442 nan 8.280 nan 0.000 0.481 830 P HA 0.107 nan 4.420 nan 0.000 0.268 830 P C -0.625 176.441 177.300 -0.391 0.000 1.205 830 P CA 0.271 62.793 63.100 -0.964 0.000 0.771 830 P CB 0.503 31.540 31.700 -1.104 0.000 0.858 831 I N 5.023 125.444 120.570 -0.248 0.000 2.692 831 I HA 0.169 4.338 4.170 -0.001 0.000 0.285 831 I C -1.687 174.361 176.117 -0.115 0.000 1.191 831 I CA -2.456 58.769 61.300 -0.125 0.000 1.128 831 I CB 0.629 38.612 38.000 -0.029 0.000 1.585 831 I HN 0.204 nan 8.210 nan 0.000 0.558 832 P HA -0.066 nan 4.420 nan 0.000 0.221 832 P C 1.073 178.343 177.300 -0.051 0.000 1.150 832 P CA 1.233 64.260 63.100 -0.121 0.000 0.800 832 P CB 0.550 32.148 31.700 -0.170 0.000 0.787 833 S N -3.631 112.043 115.700 -0.043 0.000 2.551 833 S HA 0.460 4.929 4.470 -0.001 0.000 0.276 833 S C 0.546 175.234 174.600 0.147 0.000 1.051 833 S CA 0.311 58.543 58.200 0.053 0.000 1.377 833 S CB 0.275 63.530 63.200 0.091 0.000 1.208 833 S HN 0.326 nan 8.310 nan 0.000 0.656 834 G N 1.549 110.442 108.800 0.155 0.000 2.466 834 G HA2 0.566 4.525 3.960 -0.001 0.000 0.291 834 G HA3 0.566 4.525 3.960 -0.001 0.000 0.291 834 G C -1.490 173.656 174.900 0.410 0.000 1.460 834 G CA -0.446 44.870 45.100 0.359 0.000 0.791 834 G HN 0.886 nan 8.290 nan 0.000 0.505 835 M N -0.618 119.242 119.600 0.434 0.000 2.534 835 M HA 0.877 5.357 4.480 -0.001 0.000 0.280 835 M C -1.747 174.786 176.300 0.387 0.000 1.217 835 M CA -1.019 54.493 55.300 0.354 0.000 0.893 835 M CB 2.503 35.225 32.600 0.203 0.000 1.730 835 M HN 1.152 nan 8.290 nan 0.000 0.483 836 F N 0.953 121.046 119.950 0.238 0.000 2.668 836 F HA 0.911 5.438 4.527 -0.001 0.000 0.309 836 F C -1.728 174.204 175.800 0.219 0.000 1.117 836 F CA -1.183 56.899 58.000 0.136 0.000 0.951 836 F CB 1.176 40.168 39.000 -0.013 0.000 1.323 836 F HN 0.773 nan 8.300 nan 0.000 0.451 837 I N -0.100 120.702 120.570 0.386 0.000 2.785 837 I HA 0.881 5.050 4.170 -0.001 0.000 0.302 837 I C -1.379 174.921 176.117 0.305 0.000 1.069 837 I CA -0.888 60.603 61.300 0.320 0.000 1.045 837 I CB 2.384 40.490 38.000 0.176 0.000 1.236 837 I HN 0.948 nan 8.210 nan 0.000 0.429 838 E N 2.074 122.438 120.200 0.273 0.000 2.412 838 E HA 0.529 4.878 4.350 -0.001 0.000 0.279 838 E C -2.034 174.649 176.600 0.137 0.000 0.984 838 E CA -0.837 55.667 56.400 0.172 0.000 0.788 838 E CB 2.241 32.032 29.700 0.152 0.000 1.277 838 E HN 0.739 nan 8.360 nan 0.000 0.455 839 D N 0.779 121.229 120.400 0.084 0.000 2.726 839 D HA 0.453 5.092 4.640 -0.001 0.000 0.241 839 D C 0.969 177.298 176.300 0.048 0.000 1.150 839 D CA -0.148 53.894 54.000 0.070 0.000 1.089 839 D CB -0.059 40.775 40.800 0.057 0.000 1.260 839 D HN 0.448 nan 8.370 nan 0.000 0.637 840 A N -0.725 122.117 122.820 0.037 0.000 1.978 840 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 840 A C 1.548 179.136 177.584 0.007 0.000 1.170 840 A CA 1.615 53.665 52.037 0.023 0.000 0.636 840 A CB -0.723 18.289 19.000 0.020 0.000 0.810 840 A HN 0.517 nan 8.150 nan 0.000 0.448 841 N N -1.826 116.877 118.700 0.006 0.000 2.397 841 N HA 0.073 4.813 4.740 -0.001 0.000 0.190 841 N C -0.420 175.079 175.510 -0.018 0.000 1.099 841 N CA 0.764 53.810 53.050 -0.007 0.000 0.876 841 N CB 0.623 39.107 38.487 -0.004 0.000 1.143 841 N HN 0.304 nan 8.380 nan 0.000 0.468 842 T N 0.615 115.164 114.554 -0.010 0.000 2.893 842 T HA 0.450 4.800 4.350 -0.001 0.000 0.293 842 T C -0.581 174.110 174.700 -0.015 0.000 1.027 842 T CA -0.653 61.435 62.100 -0.020 0.000 0.988 842 T CB 2.844 71.704 68.868 -0.012 0.000 1.043 842 T HN -0.039 nan 8.240 nan 0.000 0.461 843 R N 1.978 122.452 120.500 -0.043 0.000 2.686 843 R HA 0.738 5.078 4.340 -0.001 0.000 0.286 843 R C -1.932 174.345 176.300 -0.040 0.000 0.969 843 R CA -0.911 55.165 56.100 -0.041 0.000 0.898 843 R CB 1.299 31.511 30.300 -0.147 0.000 1.183 843 R HN 0.454 nan 8.270 nan 0.000 0.456 844 L N 2.562 123.791 121.223 0.010 0.000 2.349 844 L HA 0.500 4.840 4.340 -0.001 0.000 0.278 844 L C -1.325 175.583 176.870 0.063 0.000 0.996 844 L CA 0.081 54.920 54.840 -0.000 0.000 0.825 844 L CB 2.266 44.312 42.059 -0.022 0.000 1.243 844 L HN 0.645 nan 8.230 nan 0.000 0.412 845 T N 5.663 120.236 114.554 0.031 0.000 2.807 845 T HA 0.559 4.908 4.350 -0.001 0.000 0.279 845 T C -1.052 173.712 174.700 0.106 0.000 0.993 845 T CA -0.277 61.881 62.100 0.098 0.000 0.970 845 T CB 1.416 70.271 68.868 -0.021 0.000 0.950 845 T HN 0.454 nan 8.240 nan 0.000 0.441 846 L N 5.122 126.444 121.223 0.165 0.000 2.294 846 L HA 0.528 4.867 4.340 -0.001 0.000 0.283 846 L C -1.266 175.750 176.870 0.245 0.000 1.015 846 L CA -0.704 54.245 54.840 0.182 0.000 0.831 846 L CB 0.502 42.648 42.059 0.145 0.000 1.217 846 L HN 0.414 nan 8.230 nan 0.000 0.420 847 L N 3.852 125.221 121.223 0.244 0.000 2.325 847 L HA 0.630 4.970 4.340 -0.001 0.000 0.279 847 L C 0.552 177.572 176.870 0.249 0.000 1.054 847 L CA -0.247 54.736 54.840 0.237 0.000 0.804 847 L CB 1.377 43.543 42.059 0.179 0.000 1.200 847 L HN 0.754 nan 8.230 nan 0.000 0.436 848 T N -2.278 112.375 114.554 0.166 0.000 2.908 848 T HA 0.613 4.962 4.350 -0.001 0.000 0.290 848 T C 0.690 175.357 174.700 -0.055 0.000 1.034 848 T CA -0.288 61.824 62.100 0.020 0.000 1.010 848 T CB 1.936 70.821 68.868 0.028 0.000 1.068 848 T HN 0.679 nan 8.240 nan 0.000 0.481 849 G N 1.269 109.963 108.800 -0.177 0.000 3.284 849 G HA2 0.417 4.377 3.960 -0.001 0.000 0.236 849 G HA3 0.417 4.377 3.960 -0.001 0.000 0.236 849 G C 0.162 175.004 174.900 -0.096 0.000 1.158 849 G CA -0.302 44.730 45.100 -0.114 0.000 0.774 849 G HN 0.965 nan 8.290 nan 0.000 0.545 850 Q N -0.240 119.497 119.800 -0.105 0.000 2.479 850 Q HA 0.298 4.638 4.340 -0.001 0.000 0.276 850 Q C -3.545 172.418 176.000 -0.061 0.000 0.989 850 Q CA -2.246 53.518 55.803 -0.065 0.000 0.864 850 Q CB 1.763 30.476 28.738 -0.041 0.000 1.444 850 Q HN -0.008 nan 8.270 nan 0.000 0.388 851 P HA 0.482 nan 4.420 nan 0.000 0.281 851 P C -0.686 176.599 177.300 -0.025 0.000 1.252 851 P CA -0.163 62.919 63.100 -0.032 0.000 0.778 851 P CB 0.991 32.677 31.700 -0.022 0.000 0.895 852 L N 1.515 122.719 121.223 -0.032 0.000 2.491 852 L HA 0.673 5.012 4.340 -0.001 0.000 0.254 852 L C 0.710 177.598 176.870 0.030 0.000 1.048 852 L CA -1.137 53.707 54.840 0.007 0.000 0.855 852 L CB 2.062 44.110 42.059 -0.019 0.000 1.466 852 L HN 0.342 nan 8.230 nan 0.000 0.409 853 G N -0.962 107.912 108.800 0.123 0.000 2.425 853 G HA2 0.685 4.644 3.960 -0.001 0.000 0.302 853 G HA3 0.685 4.644 3.960 -0.001 0.000 0.302 853 G C -0.511 174.416 174.900 0.045 0.000 1.159 853 G CA 0.088 45.318 45.100 0.217 0.000 0.865 853 G HN 0.874 nan 8.290 nan 0.000 0.515 854 G N -1.432 107.210 108.800 -0.263 0.000 2.550 854 G HA2 0.671 4.630 3.960 -0.001 0.000 0.293 854 G HA3 0.671 4.630 3.960 -0.001 0.000 0.293 854 G C -1.204 173.244 174.900 -0.753 0.000 1.402 854 G CA 0.406 45.151 45.100 -0.592 0.000 0.784 854 G HN 1.248 nan 8.290 nan 0.000 0.482 855 S N -1.853 113.465 115.700 -0.637 0.000 2.661 855 S HA 0.738 5.207 4.470 -0.001 0.000 0.268 855 S C -1.521 172.630 174.600 -0.749 0.000 1.162 855 S CA 0.288 58.121 58.200 -0.612 0.000 0.817 855 S CB 1.373 64.281 63.200 -0.486 0.000 1.141 855 S HN 1.533 nan 8.310 nan 0.000 0.477 856 S N 1.629 116.595 115.700 -1.223 0.000 2.718 856 S HA 0.490 4.960 4.470 -0.001 0.000 0.294 856 S C 0.131 174.480 174.600 -0.419 0.000 1.157 856 S CA -0.638 57.113 58.200 -0.748 0.000 1.121 856 S CB 0.026 62.738 63.200 -0.813 0.000 1.015 856 S HN 0.581 nan 8.310 nan 0.000 0.479 857 L N 3.202 124.319 121.223 -0.176 0.000 2.558 857 L HA 0.498 4.837 4.340 -0.001 0.000 0.225 857 L C 0.847 177.709 176.870 -0.013 0.000 1.128 857 L CA 0.254 55.070 54.840 -0.040 0.000 0.868 857 L CB 0.028 42.121 42.059 0.056 0.000 1.006 857 L HN 0.704 nan 8.230 nan 0.000 0.454 858 A N -1.249 121.551 122.820 -0.033 0.000 2.612 858 A HA 0.451 4.770 4.320 -0.001 0.000 0.293 858 A C -0.482 177.100 177.584 -0.003 0.000 1.075 858 A CA -0.442 51.594 52.037 -0.003 0.000 0.680 858 A CB 1.191 20.197 19.000 0.009 0.000 1.279 858 A HN -0.148 nan 8.150 nan 0.000 0.411 859 S N -0.131 115.581 115.700 0.019 0.000 2.563 859 S HA 0.399 4.869 4.470 -0.001 0.000 0.294 859 S C 1.515 176.136 174.600 0.035 0.000 1.279 859 S CA 1.905 60.125 58.200 0.033 0.000 1.069 859 S CB -0.082 63.141 63.200 0.037 0.000 0.828 859 S HN 2.652 nan 8.310 nan 0.000 0.497 860 G N 3.442 112.266 108.800 0.039 0.000 2.179 860 G HA2 -0.201 3.758 3.960 -0.001 0.000 0.260 860 G HA3 -0.201 3.758 3.960 -0.001 0.000 0.260 860 G C -0.166 174.735 174.900 0.002 0.000 0.977 860 G CA 0.442 45.566 45.100 0.040 0.000 0.641 860 G HN 0.712 nan 8.290 nan 0.000 0.533 861 E N -0.462 119.724 120.200 -0.024 0.000 2.212 861 E HA 0.760 5.109 4.350 -0.001 0.000 0.270 861 E C -0.157 176.383 176.600 -0.101 0.000 0.956 861 E CA -0.717 55.646 56.400 -0.062 0.000 0.825 861 E CB 1.753 31.418 29.700 -0.060 0.000 1.167 861 E HN 0.251 nan 8.360 nan 0.000 0.400 862 L N 1.702 122.859 121.223 -0.110 0.000 2.388 862 L HA 0.485 4.825 4.340 -0.001 0.000 0.264 862 L C -0.548 176.252 176.870 -0.118 0.000 0.998 862 L CA -0.641 54.124 54.840 -0.125 0.000 0.817 862 L CB 1.987 44.002 42.059 -0.074 0.000 1.338 862 L HN 0.661 nan 8.230 nan 0.000 0.414 863 E N 2.758 122.880 120.200 -0.131 0.000 2.390 863 E HA 0.703 5.052 4.350 -0.001 0.000 0.277 863 E C -1.564 174.988 176.600 -0.081 0.000 0.939 863 E CA -0.840 55.514 56.400 -0.076 0.000 0.769 863 E CB 3.329 33.029 29.700 0.001 0.000 1.251 863 E HN 0.535 nan 8.360 nan 0.000 0.450 864 I N 2.190 122.751 120.570 -0.015 0.000 2.610 864 I HA 0.318 4.488 4.170 -0.001 0.000 0.289 864 I C -1.441 174.737 176.117 0.102 0.000 1.163 864 I CA -1.101 60.212 61.300 0.022 0.000 1.044 864 I CB 1.951 39.968 38.000 0.029 0.000 1.251 864 I HN 0.779 nan 8.210 nan 0.000 0.424 865 M N 6.320 126.017 119.600 0.162 0.000 2.228 865 M HA 0.227 4.707 4.480 -0.001 0.000 0.351 865 M C 0.580 176.973 176.300 0.155 0.000 1.233 865 M CA 0.615 56.017 55.300 0.169 0.000 1.129 865 M CB 0.939 33.611 32.600 0.121 0.000 1.604 865 M HN 0.575 nan 8.290 nan 0.000 0.457 866 Q N 1.417 121.341 119.800 0.207 0.000 2.287 866 Q HA 0.254 4.593 4.340 -0.001 0.000 0.201 866 Q C -0.243 175.958 176.000 0.335 0.000 0.946 866 Q CA 0.813 56.804 55.803 0.314 0.000 0.868 866 Q CB 0.383 29.340 28.738 0.364 0.000 0.967 866 Q HN 0.759 nan 8.270 nan 0.000 0.516 867 D N -0.868 119.662 120.400 0.216 0.000 2.671 867 D HA 0.302 4.941 4.640 -0.001 0.000 0.273 867 D C -1.415 174.952 176.300 0.112 0.000 1.264 867 D CA -0.494 53.610 54.000 0.173 0.000 0.788 867 D CB 1.497 42.390 40.800 0.155 0.000 1.324 867 D HN 0.036 nan 8.370 nan 0.000 0.424 868 R N 0.748 121.303 120.500 0.091 0.000 2.584 868 R HA 0.680 5.019 4.340 -0.001 0.000 0.276 868 R C -1.057 175.283 176.300 0.068 0.000 1.046 868 R CA -1.051 55.087 56.100 0.063 0.000 0.906 868 R CB 2.120 32.430 30.300 0.017 0.000 1.215 868 R HN 0.319 nan 8.270 nan 0.000 0.449 869 R N 3.717 124.255 120.500 0.063 0.000 2.451 869 R HA 0.474 4.814 4.340 -0.001 0.000 0.307 869 R C -1.508 174.824 176.300 0.053 0.000 0.965 869 R CA -0.580 55.554 56.100 0.057 0.000 0.865 869 R CB 1.308 31.637 30.300 0.050 0.000 1.174 869 R HN 0.715 nan 8.270 nan 0.000 0.455 870 L N 3.953 125.206 121.223 0.049 0.000 2.406 870 L HA 0.517 4.856 4.340 -0.001 0.000 0.272 870 L C 0.706 177.600 176.870 0.039 0.000 0.980 870 L CA -0.530 54.338 54.840 0.046 0.000 0.831 870 L CB 2.159 44.245 42.059 0.046 0.000 1.253 870 L HN 0.812 nan 8.230 nan 0.000 0.406 871 A N 1.582 124.423 122.820 0.035 0.000 2.067 871 A HA 0.153 4.473 4.320 -0.001 0.000 0.217 871 A C 0.942 178.542 177.584 0.026 0.000 1.156 871 A CA 0.640 52.694 52.037 0.029 0.000 0.683 871 A CB 0.029 19.045 19.000 0.026 0.000 0.808 871 A HN 0.601 nan 8.150 nan 0.000 0.455 872 S N -0.010 115.706 115.700 0.027 0.000 2.593 872 S HA 0.403 4.873 4.470 -0.001 0.000 0.297 872 S C -0.642 173.975 174.600 0.028 0.000 1.112 872 S CA -0.649 57.565 58.200 0.023 0.000 1.043 872 S CB 1.451 64.661 63.200 0.017 0.000 1.054 872 S HN 0.478 nan 8.310 nan 0.000 0.516 873 D N 0.615 121.032 120.400 0.028 0.000 2.382 873 D HA 0.177 4.817 4.640 -0.001 0.000 0.245 873 D C -0.073 176.244 176.300 0.028 0.000 1.120 873 D CA -0.282 53.742 54.000 0.041 0.000 0.890 873 D CB 0.648 41.471 40.800 0.038 0.000 1.201 873 D HN 0.503 nan 8.370 nan 0.000 0.433 874 D N 2.136 122.560 120.400 0.040 0.000 2.525 874 D HA 0.065 4.705 4.640 -0.001 0.000 0.229 874 D C -0.398 175.867 176.300 -0.058 0.000 1.202 874 D CA -0.303 53.690 54.000 -0.012 0.000 0.828 874 D CB -0.455 40.331 40.800 -0.024 0.000 1.008 874 D HN 0.675 nan 8.370 nan 0.000 0.493 875 E N -0.107 120.081 120.200 -0.019 0.000 2.637 875 E HA -0.205 4.145 4.350 -0.001 0.000 0.265 875 E C 0.024 176.584 176.600 -0.067 0.000 1.073 875 E CA 0.188 56.571 56.400 -0.028 0.000 0.778 875 E CB -0.758 28.921 29.700 -0.035 0.000 1.362 875 E HN 0.237 nan 8.360 nan 0.000 0.413 876 R N -0.556 119.882 120.500 -0.103 0.000 2.629 876 R HA 0.238 4.578 4.340 -0.001 0.000 0.386 876 R C 1.248 177.620 176.300 0.118 0.000 1.071 876 R CA 0.539 56.508 56.100 -0.220 0.000 1.104 876 R CB 0.936 30.658 30.300 -0.963 0.000 1.370 876 R HN 0.399 nan 8.270 nan 0.000 0.574 877 G N 0.925 109.864 108.800 0.231 0.000 2.194 877 G HA2 -0.308 3.652 3.960 -0.001 0.000 0.236 877 G HA3 -0.308 3.652 3.960 -0.001 0.000 0.236 877 G C 0.763 175.762 174.900 0.165 0.000 0.987 877 G CA 0.296 45.603 45.100 0.344 0.000 0.635 877 G HN 0.320 nan 8.290 nan 0.000 0.520 878 L N 1.397 122.812 121.223 0.320 0.000 2.141 878 L HA 0.443 4.783 4.340 -0.001 0.000 0.209 878 L C 2.201 179.055 176.870 -0.026 0.000 1.094 878 L CA 2.621 57.542 54.840 0.135 0.000 0.763 878 L CB -0.649 41.634 42.059 0.373 0.000 0.908 878 L HN 1.705 nan 8.230 nan 0.000 0.437 879 G N -0.235 108.583 108.800 0.029 0.000 2.198 879 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.260 879 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.260 879 G C 0.054 174.956 174.900 0.004 0.000 1.025 879 G CA 0.684 45.782 45.100 -0.002 0.000 0.769 879 G HN 0.804 nan 8.290 nan 0.000 0.507 880 Q N -2.106 117.712 119.800 0.030 0.000 2.633 880 Q HA 0.664 5.003 4.340 -0.001 0.000 0.289 880 Q C 0.391 176.418 176.000 0.044 0.000 0.940 880 Q CA -0.642 55.178 55.803 0.029 0.000 0.785 880 Q CB 0.417 29.169 28.738 0.023 0.000 1.467 880 Q HN 0.965 nan 8.270 nan 0.000 0.401 881 G N 0.066 108.888 108.800 0.037 0.000 2.494 881 G HA2 0.473 4.433 3.960 -0.001 0.000 0.270 881 G HA3 0.473 4.433 3.960 -0.001 0.000 0.270 881 G C -0.860 174.065 174.900 0.043 0.000 1.423 881 G CA -0.615 44.509 45.100 0.040 0.000 1.055 881 G HN 0.398 nan 8.290 nan 0.000 0.536 882 V N 0.853 120.794 119.914 0.045 0.000 2.284 882 V HA 0.325 4.445 4.120 -0.001 0.000 0.274 882 V C 0.173 176.299 176.094 0.053 0.000 1.023 882 V CA -0.127 62.205 62.300 0.054 0.000 0.808 882 V CB 0.805 32.663 31.823 0.059 0.000 1.035 882 V HN 0.540 nan 8.190 nan 0.000 0.445 883 L N 3.280 124.533 121.223 0.051 0.000 3.229 883 L HA 0.322 4.661 4.340 -0.001 0.000 0.286 883 L C 0.605 177.501 176.870 0.043 0.000 1.239 883 L CA 0.032 54.898 54.840 0.042 0.000 1.035 883 L CB 0.685 42.764 42.059 0.033 0.000 1.408 883 L HN 0.660 nan 8.230 nan 0.000 0.593 884 D N -2.143 118.291 120.400 0.057 0.000 2.559 884 D HA 0.058 4.697 4.640 -0.001 0.000 0.234 884 D C 0.126 176.465 176.300 0.065 0.000 1.226 884 D CA -0.459 53.575 54.000 0.057 0.000 0.830 884 D CB -0.399 40.443 40.800 0.070 0.000 1.028 884 D HN 0.072 nan 8.370 nan 0.000 0.492 885 N N 1.681 120.417 118.700 0.060 0.000 2.395 885 N HA 0.106 4.846 4.740 -0.001 0.000 0.246 885 N C 0.172 175.690 175.510 0.013 0.000 1.246 885 N CA 0.356 53.441 53.050 0.058 0.000 0.879 885 N CB 0.649 39.167 38.487 0.052 0.000 1.098 885 N HN 0.320 nan 8.380 nan 0.000 0.444 886 K N -0.385 120.009 120.400 -0.009 0.000 2.512 886 K HA 0.556 4.876 4.320 -0.001 0.000 0.263 886 K C -3.240 173.331 176.600 -0.048 0.000 0.966 886 K CA -2.038 54.200 56.287 -0.081 0.000 0.851 886 K CB 1.322 33.689 32.500 -0.221 0.000 1.395 886 K HN 0.125 nan 8.250 nan 0.000 0.440 887 P HA -0.033 nan 4.420 nan 0.000 0.264 887 P C -1.015 176.305 177.300 0.033 0.000 1.183 887 P CA -0.416 62.665 63.100 -0.032 0.000 0.763 887 P CB 0.724 32.396 31.700 -0.046 0.000 0.807 888 V N 5.127 125.027 119.914 -0.024 0.000 2.760 888 V HA 0.463 4.582 4.120 -0.001 0.000 0.309 888 V C -1.292 174.676 176.094 -0.211 0.000 1.077 888 V CA -1.098 61.162 62.300 -0.066 0.000 0.910 888 V CB 2.103 33.858 31.823 -0.114 0.000 1.008 888 V HN 0.283 nan 8.190 nan 0.000 0.424 889 L N 7.092 128.220 121.223 -0.158 0.000 2.270 889 L HA 0.585 4.925 4.340 -0.001 0.000 0.286 889 L C -0.329 176.517 176.870 -0.040 0.000 1.059 889 L CA 0.132 54.913 54.840 -0.098 0.000 0.839 889 L CB 0.255 42.281 42.059 -0.054 0.000 1.221 889 L HN 0.695 nan 8.230 nan 0.000 0.431 890 H N 5.640 124.728 119.070 0.029 0.000 2.582 890 H HA 0.470 5.025 4.556 -0.001 0.000 0.345 890 H C -0.070 175.162 175.328 -0.161 0.000 1.104 890 H CA -0.163 55.846 56.048 -0.064 0.000 1.390 890 H CB 1.207 30.997 29.762 0.047 0.000 1.461 890 H HN 0.690 nan 8.280 nan 0.000 0.551 891 I N 0.213 120.619 120.570 -0.274 0.000 2.689 891 I HA 0.616 4.786 4.170 -0.001 0.000 0.299 891 I C -1.425 174.347 176.117 -0.574 0.000 1.059 891 I CA -0.949 60.205 61.300 -0.243 0.000 1.055 891 I CB 2.162 40.116 38.000 -0.077 0.000 1.243 891 I HN 0.249 nan 8.210 nan 0.000 0.425 892 Y N 2.370 122.722 120.300 0.086 0.000 2.638 892 Y HA 0.675 5.224 4.550 -0.001 0.000 0.335 892 Y C -0.654 175.301 175.900 0.092 0.000 1.155 892 Y CA -1.089 57.068 58.100 0.095 0.000 1.046 892 Y CB 1.598 40.133 38.460 0.125 0.000 1.303 892 Y HN 0.419 nan 8.280 nan 0.000 0.460 893 R N 1.421 122.083 120.500 0.270 0.000 2.670 893 R HA 0.616 4.956 4.340 -0.001 0.000 0.289 893 R C -1.890 174.525 176.300 0.191 0.000 0.965 893 R CA -1.153 55.061 56.100 0.191 0.000 0.899 893 R CB 2.628 33.000 30.300 0.119 0.000 1.173 893 R HN 0.647 nan 8.270 nan 0.000 0.456 894 L N 2.434 123.750 121.223 0.154 0.000 2.316 894 L HA 0.412 4.752 4.340 -0.001 0.000 0.280 894 L C -1.228 175.673 176.870 0.052 0.000 1.006 894 L CA -0.549 54.357 54.840 0.110 0.000 0.836 894 L CB 1.787 43.923 42.059 0.128 0.000 1.221 894 L HN 0.307 nan 8.230 nan 0.000 0.418 895 V N 6.249 126.178 119.914 0.024 0.000 2.326 895 V HA 0.386 4.506 4.120 -0.001 0.000 0.281 895 V C -0.304 175.767 176.094 -0.039 0.000 1.015 895 V CA -0.569 61.726 62.300 -0.009 0.000 0.823 895 V CB 1.356 33.168 31.823 -0.019 0.000 1.009 895 V HN 0.631 nan 8.190 nan 0.000 0.436 896 L N 5.515 126.710 121.223 -0.045 0.000 2.289 896 L HA 0.668 5.008 4.340 -0.001 0.000 0.285 896 L C -0.106 176.727 176.870 -0.063 0.000 1.049 896 L CA 0.684 55.488 54.840 -0.059 0.000 0.804 896 L CB 1.005 43.025 42.059 -0.064 0.000 1.195 896 L HN 0.725 nan 8.230 nan 0.000 0.428 897 E N 3.716 123.872 120.200 -0.074 0.000 2.383 897 E HA 0.430 4.779 4.350 -0.001 0.000 0.275 897 E C -1.261 175.295 176.600 -0.074 0.000 0.918 897 E CA -1.186 55.166 56.400 -0.079 0.000 0.764 897 E CB 1.528 31.166 29.700 -0.105 0.000 1.252 897 E HN 0.269 nan 8.360 nan 0.000 0.449 898 K N 1.413 121.773 120.400 -0.066 0.000 2.276 898 K HA 0.189 4.508 4.320 -0.001 0.000 0.283 898 K C 0.411 176.969 176.600 -0.070 0.000 1.044 898 K CA -0.124 56.128 56.287 -0.059 0.000 0.944 898 K CB 1.289 33.760 32.500 -0.048 0.000 1.012 898 K HN 0.486 nan 8.250 nan 0.000 0.472 899 V N -0.476 119.398 119.914 -0.067 0.000 3.330 899 V HA 0.013 4.132 4.120 -0.001 0.000 0.309 899 V C 1.225 177.286 176.094 -0.055 0.000 1.481 899 V CA -0.282 61.972 62.300 -0.078 0.000 1.068 899 V CB -0.271 31.489 31.823 -0.105 0.000 0.935 899 V HN 0.621 nan 8.190 nan 0.000 0.453 900 N N 1.626 120.301 118.700 -0.041 0.000 2.272 900 N HA -0.205 4.534 4.740 -0.001 0.000 0.185 900 N C 1.033 176.524 175.510 -0.031 0.000 1.014 900 N CA 1.833 54.865 53.050 -0.029 0.000 0.870 900 N CB -0.531 37.943 38.487 -0.021 0.000 0.975 900 N HN 0.552 nan 8.380 nan 0.000 0.433 901 N N -0.011 118.665 118.700 -0.039 0.000 2.336 901 N HA 0.072 4.812 4.740 -0.001 0.000 0.189 901 N C -0.266 175.216 175.510 -0.047 0.000 1.113 901 N CA -0.094 52.933 53.050 -0.039 0.000 0.858 901 N CB 0.090 38.554 38.487 -0.038 0.000 0.970 901 N HN 0.220 nan 8.380 nan 0.000 0.471 902 c N 1.337 119.903 118.600 -0.057 0.000 2.601 902 c HA 0.269 4.838 4.570 -0.001 0.000 0.409 902 c C 1.032 175.087 174.090 -0.059 0.000 1.293 902 c CA -0.953 55.335 56.329 -0.069 0.000 2.101 902 c CB 0.777 43.231 42.510 -0.093 0.000 2.639 902 c HN 0.009 nan 8.230 nan 0.000 0.592 903 V N 5.618 125.493 119.914 -0.064 0.000 2.387 903 V HA 0.216 4.335 4.120 -0.001 0.000 0.260 903 V C 0.625 176.684 176.094 -0.059 0.000 1.054 903 V CA 0.377 62.644 62.300 -0.056 0.000 0.967 903 V CB -0.603 31.183 31.823 -0.062 0.000 1.036 903 V HN 0.796 nan 8.190 nan 0.000 0.481 904 R N 4.585 125.063 120.500 -0.038 0.000 2.758 904 R HA 0.551 4.890 4.340 -0.001 0.000 0.265 904 R C -2.462 173.832 176.300 -0.010 0.000 1.016 904 R CA -1.879 54.206 56.100 -0.025 0.000 1.040 904 R CB 1.168 31.457 30.300 -0.018 0.000 1.152 904 R HN 0.401 nan 8.270 nan 0.000 0.503 905 P HA -0.040 nan 4.420 nan 0.000 0.270 905 P C -0.379 176.959 177.300 0.063 0.000 1.223 905 P CA -0.197 62.889 63.100 -0.024 0.000 0.785 905 P CB 0.568 32.178 31.700 -0.149 0.000 0.923 906 S N 1.041 116.806 115.700 0.109 0.000 2.587 906 S HA 0.054 4.524 4.470 -0.001 0.000 0.260 906 S C 1.056 175.736 174.600 0.134 0.000 1.353 906 S CA -0.125 58.142 58.200 0.112 0.000 0.995 906 S CB 0.266 63.535 63.200 0.115 0.000 0.912 906 S HN 0.319 nan 8.310 nan 0.000 0.568 907 K N 0.443 120.904 120.400 0.101 0.000 2.281 907 K HA 0.015 4.335 4.320 -0.001 0.000 0.203 907 K C 1.451 178.107 176.600 0.095 0.000 1.046 907 K CA 1.205 57.549 56.287 0.095 0.000 0.938 907 K CB -0.546 31.994 32.500 0.067 0.000 0.737 907 K HN 0.552 nan 8.250 nan 0.000 0.458 908 L N -0.160 121.123 121.223 0.099 0.000 2.567 908 L HA 0.046 4.386 4.340 -0.001 0.000 0.225 908 L C 1.051 177.975 176.870 0.091 0.000 1.119 908 L CA -0.228 54.655 54.840 0.072 0.000 0.871 908 L CB -0.174 41.912 42.059 0.046 0.000 1.036 908 L HN 0.242 nan 8.230 nan 0.000 0.459 909 H N 2.565 121.673 119.070 0.064 0.000 2.803 909 H HA 0.080 4.635 4.556 -0.001 0.000 0.330 909 H C -1.723 173.647 175.328 0.070 0.000 1.057 909 H CA -1.334 54.765 56.048 0.085 0.000 1.458 909 H CB 1.762 31.601 29.762 0.128 0.000 1.470 909 H HN -0.081 nan 8.280 nan 0.000 0.560 910 P HA 0.135 nan 4.420 nan 0.000 0.249 910 P C -0.415 176.993 177.300 0.179 0.000 1.229 910 P CA 0.196 63.337 63.100 0.068 0.000 0.788 910 P CB 0.478 32.145 31.700 -0.056 0.000 1.072 911 A N -0.330 122.761 122.820 0.452 0.000 2.299 911 A HA 0.754 5.074 4.320 -0.001 0.000 0.332 911 A C 0.302 177.946 177.584 0.101 0.000 1.131 911 A CA -0.311 51.860 52.037 0.224 0.000 0.844 911 A CB 1.034 20.146 19.000 0.186 0.000 1.251 911 A HN 0.164 nan 8.150 nan 0.000 0.486 912 G N -1.380 107.359 108.800 -0.102 0.000 2.658 912 G HA2 0.638 4.597 3.960 -0.001 0.000 0.292 912 G HA3 0.638 4.597 3.960 -0.001 0.000 0.292 912 G C -1.845 172.680 174.900 -0.626 0.000 1.320 912 G CA -0.420 44.512 45.100 -0.281 0.000 0.933 912 G HN 0.529 nan 8.290 nan 0.000 0.476 913 Y N -0.885 119.376 120.300 -0.065 0.000 2.492 913 Y HA 0.483 5.032 4.550 -0.001 0.000 0.346 913 Y C 0.350 176.011 175.900 -0.398 0.000 0.997 913 Y CA -0.852 57.144 58.100 -0.174 0.000 1.025 913 Y CB 1.981 40.333 38.460 -0.181 0.000 1.263 913 Y HN 0.349 nan 8.280 nan 0.000 0.454 914 L N 2.167 123.228 121.223 -0.269 0.000 2.464 914 L HA 0.356 4.696 4.340 -0.001 0.000 0.264 914 L C 0.758 177.479 176.870 -0.248 0.000 1.199 914 L CA -0.523 54.083 54.840 -0.391 0.000 0.818 914 L CB 0.730 42.634 42.059 -0.257 0.000 1.102 914 L HN 0.796 nan 8.230 nan 0.000 0.473 915 T N -2.174 112.225 114.554 -0.259 0.000 2.816 915 T HA 0.127 4.477 4.350 -0.001 0.000 0.282 915 T C 1.178 175.829 174.700 -0.080 0.000 0.993 915 T CA -0.595 61.405 62.100 -0.166 0.000 0.994 915 T CB 1.290 70.056 68.868 -0.170 0.000 1.025 915 T HN 0.562 nan 8.240 nan 0.000 0.529 916 S N 0.982 116.647 115.700 -0.059 0.000 2.365 916 S HA -0.152 4.317 4.470 -0.001 0.000 0.225 916 S C 2.483 177.095 174.600 0.020 0.000 1.039 916 S CA 1.335 59.534 58.200 -0.002 0.000 1.033 916 S CB -1.078 62.106 63.200 -0.027 0.000 0.887 916 S HN 0.906 nan 8.310 nan 0.000 0.447 917 A N 1.377 124.185 122.820 -0.020 0.000 1.902 917 A HA 0.136 4.455 4.320 -0.001 0.000 0.217 917 A C 2.353 179.934 177.584 -0.005 0.000 1.181 917 A CA 1.711 53.739 52.037 -0.014 0.000 0.623 917 A CB -1.022 17.959 19.000 -0.031 0.000 0.818 917 A HN 0.533 nan 8.150 nan 0.000 0.443 918 A N -1.050 121.754 122.820 -0.026 0.000 1.930 918 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 918 A C 2.008 179.625 177.584 0.054 0.000 1.175 918 A CA 1.969 53.995 52.037 -0.018 0.000 0.627 918 A CB -0.817 18.117 19.000 -0.109 0.000 0.815 918 A HN 0.757 nan 8.150 nan 0.000 0.443 919 H N 0.124 119.184 119.070 -0.017 0.000 2.321 919 H HA -0.036 4.520 4.556 -0.001 0.000 0.300 919 H C 1.919 177.286 175.328 0.066 0.000 1.087 919 H CA 2.197 58.272 56.048 0.044 0.000 1.319 919 H CB -0.095 29.686 29.762 0.032 0.000 1.379 919 H HN 0.411 nan 8.280 nan 0.000 0.501 920 K N -0.217 120.151 120.400 -0.053 0.000 2.097 920 K HA -0.073 4.246 4.320 -0.001 0.000 0.206 920 K C 2.378 178.947 176.600 -0.050 0.000 1.049 920 K CA 0.873 57.109 56.287 -0.084 0.000 0.933 920 K CB -0.126 32.369 32.500 -0.007 0.000 0.717 920 K HN 0.380 nan 8.250 nan 0.000 0.442 921 A N 0.921 123.734 122.820 -0.011 0.000 1.902 921 A HA -0.196 4.124 4.320 -0.001 0.000 0.217 921 A C 2.219 179.812 177.584 0.015 0.000 1.181 921 A CA 2.066 54.111 52.037 0.013 0.000 0.623 921 A CB -0.687 18.334 19.000 0.035 0.000 0.818 921 A HN 0.284 nan 8.150 nan 0.000 0.443 922 S N -0.690 115.023 115.700 0.021 0.000 2.368 922 S HA -0.240 4.229 4.470 -0.001 0.000 0.225 922 S C 2.143 176.738 174.600 -0.008 0.000 1.030 922 S CA 1.738 59.966 58.200 0.048 0.000 0.999 922 S CB -0.414 62.860 63.200 0.124 0.000 0.844 922 S HN 0.676 nan 8.310 nan 0.000 0.459 923 Q N 0.602 120.351 119.800 -0.085 0.000 2.170 923 Q HA -0.094 4.245 4.340 -0.001 0.000 0.203 923 Q C 2.497 178.462 176.000 -0.060 0.000 0.976 923 Q CA 1.673 57.429 55.803 -0.079 0.000 0.858 923 Q CB -0.322 28.346 28.738 -0.116 0.000 0.907 923 Q HN 0.816 nan 8.270 nan 0.000 0.433 924 S N 0.240 115.914 115.700 -0.044 0.000 2.423 924 S HA -0.091 4.378 4.470 -0.001 0.000 0.231 924 S C 1.847 176.410 174.600 -0.062 0.000 1.014 924 S CA 0.718 58.892 58.200 -0.044 0.000 0.965 924 S CB -0.230 62.960 63.200 -0.017 0.000 0.785 924 S HN 0.283 nan 8.310 nan 0.000 0.495 925 L N -0.017 121.178 121.223 -0.047 0.000 2.145 925 L HA 0.225 4.565 4.340 -0.001 0.000 0.201 925 L C 2.535 179.350 176.870 -0.091 0.000 1.075 925 L CA 0.755 55.562 54.840 -0.054 0.000 0.773 925 L CB -0.356 41.690 42.059 -0.022 0.000 0.936 925 L HN 0.281 nan 8.230 nan 0.000 0.451 926 L N -1.204 119.968 121.223 -0.084 0.000 2.249 926 L HA 0.032 4.372 4.340 -0.001 0.000 0.207 926 L C 0.174 176.931 176.870 -0.189 0.000 1.090 926 L CA 0.778 55.555 54.840 -0.104 0.000 0.802 926 L CB 0.126 42.150 42.059 -0.058 0.000 0.947 926 L HN 0.210 nan 8.230 nan 0.000 0.453 927 D N 0.389 120.661 120.400 -0.213 0.000 2.613 927 D HA 0.227 4.866 4.640 -0.001 0.000 0.312 927 D C -2.341 173.754 176.300 -0.342 0.000 1.202 927 D CA -0.984 52.816 54.000 -0.335 0.000 0.825 927 D CB 1.300 42.100 40.800 -0.001 0.000 1.113 927 D HN 0.060 nan 8.370 nan 0.000 0.502 928 P HA 0.098 nan 4.420 nan 0.000 0.274 928 P C 0.610 177.796 177.300 -0.189 0.000 1.260 928 P CA -0.478 62.472 63.100 -0.250 0.000 0.793 928 P CB 1.490 33.054 31.700 -0.226 0.000 1.048 929 L N 0.828 121.991 121.223 -0.101 0.000 2.514 929 L HA 0.053 4.392 4.340 -0.001 0.000 0.280 929 L C 0.908 177.766 176.870 -0.021 0.000 1.223 929 L CA 0.494 55.314 54.840 -0.033 0.000 0.864 929 L CB -0.367 41.684 42.059 -0.014 0.000 1.118 929 L HN 0.287 nan 8.230 nan 0.000 0.494 930 D N 3.426 123.876 120.400 0.084 0.000 2.255 930 D HA 0.318 4.958 4.640 -0.001 0.000 0.249 930 D C -0.294 175.990 176.300 -0.026 0.000 1.078 930 D CA -0.249 53.741 54.000 -0.017 0.000 0.896 930 D CB 1.602 42.434 40.800 0.052 0.000 1.194 930 D HN 0.372 nan 8.370 nan 0.000 0.429 931 K N 1.399 121.660 120.400 -0.231 0.000 2.345 931 K HA 0.465 4.784 4.320 -0.001 0.000 0.255 931 K C -1.020 175.486 176.600 -0.158 0.000 0.934 931 K CA -0.650 55.632 56.287 -0.008 0.000 0.801 931 K CB 1.573 34.038 32.500 -0.057 0.000 1.137 931 K HN 0.227 nan 8.250 nan 0.000 0.424 932 F N 2.705 122.829 119.950 0.289 0.000 2.507 932 F HA 0.486 5.012 4.527 -0.001 0.000 0.325 932 F C -0.010 176.064 175.800 0.456 0.000 1.116 932 F CA -0.868 57.292 58.000 0.267 0.000 0.930 932 F CB 1.272 40.238 39.000 -0.056 0.000 1.146 932 F HN 0.202 nan 8.300 nan 0.000 0.447 933 I N 3.695 124.638 120.570 0.622 0.000 2.362 933 I HA 0.215 4.385 4.170 -0.001 0.000 0.289 933 I C -0.538 175.864 176.117 0.476 0.000 0.994 933 I CA -0.814 60.781 61.300 0.492 0.000 1.158 933 I CB 1.160 39.350 38.000 0.316 0.000 1.315 933 I HN 0.440 nan 8.210 nan 0.000 0.451 934 F N 5.815 125.928 119.950 0.271 0.000 2.578 934 F HA 0.203 4.729 4.527 -0.001 0.000 0.376 934 F C 1.216 176.934 175.800 -0.136 0.000 1.085 934 F CA 0.133 57.999 58.000 -0.223 0.000 1.260 934 F CB 1.179 40.065 39.000 -0.189 0.000 1.095 934 F HN 0.614 nan 8.300 nan 0.000 0.573 935 A N 4.558 126.849 122.820 -0.882 0.000 1.898 935 A HA 0.010 4.329 4.320 -0.001 0.000 0.214 935 A C 1.003 178.349 177.584 -0.396 0.000 1.183 935 A CA 0.656 52.382 52.037 -0.519 0.000 0.622 935 A CB -0.548 18.116 19.000 -0.561 0.000 0.824 935 A HN 0.798 nan 8.150 nan 0.000 0.444 936 E N -0.390 119.430 120.200 -0.635 0.000 2.405 936 E HA 0.135 4.484 4.350 -0.001 0.000 0.253 936 E C 0.320 177.020 176.600 0.167 0.000 1.257 936 E CA -0.486 55.826 56.400 -0.147 0.000 0.960 936 E CB 0.222 29.883 29.700 -0.065 0.000 1.077 936 E HN 0.256 nan 8.360 nan 0.000 0.512 937 N N 0.494 119.302 118.700 0.180 0.000 2.216 937 N HA -0.083 4.657 4.740 -0.001 0.000 0.183 937 N C -0.255 175.397 175.510 0.237 0.000 1.017 937 N CA 0.929 54.093 53.050 0.190 0.000 0.861 937 N CB 0.204 38.760 38.487 0.116 0.000 0.986 937 N HN 0.442 nan 8.380 nan 0.000 0.428 938 E N -0.734 119.627 120.200 0.269 0.000 2.256 938 E HA 0.113 4.463 4.350 -0.001 0.000 0.268 938 E C -1.532 175.172 176.600 0.173 0.000 0.877 938 E CA -0.714 55.778 56.400 0.154 0.000 0.757 938 E CB 1.178 30.932 29.700 0.091 0.000 1.183 938 E HN -0.000 nan 8.360 nan 0.000 0.418 939 W N 8.019 129.023 121.300 -0.493 0.000 2.295 939 W HA 0.396 5.056 4.660 -0.001 0.000 0.333 939 W C -1.255 175.077 176.519 -0.312 0.000 0.990 939 W CA -1.464 55.444 57.345 -0.729 0.000 1.453 939 W CB -0.133 28.371 29.460 -1.593 0.000 1.263 939 W HN 0.462 nan 8.180 nan 0.000 0.380 940 I N 6.085 126.771 120.570 0.192 0.000 2.471 940 I HA 0.232 4.402 4.170 -0.001 0.000 0.286 940 I C 1.488 177.621 176.117 0.026 0.000 1.079 940 I CA 0.985 62.322 61.300 0.063 0.000 1.398 940 I CB 0.420 38.478 38.000 0.097 0.000 1.403 940 I HN 0.772 nan 8.210 nan 0.000 0.530 941 G N 4.317 113.040 108.800 -0.129 0.000 2.143 941 G HA2 -0.200 3.759 3.960 -0.001 0.000 0.249 941 G HA3 -0.200 3.759 3.960 -0.001 0.000 0.249 941 G C 0.399 175.075 174.900 -0.373 0.000 0.981 941 G CA -0.095 44.910 45.100 -0.157 0.000 0.665 941 G HN 1.001 nan 8.290 nan 0.000 0.528 942 A N -0.422 121.920 122.820 -0.795 0.000 2.531 942 A HA 0.561 4.881 4.320 -0.001 0.000 0.236 942 A C 0.582 177.756 177.584 -0.684 0.000 1.062 942 A CA 0.830 52.037 52.037 -1.383 0.000 0.760 942 A CB 0.250 18.128 19.000 -1.870 0.000 0.995 942 A HN 0.640 nan 8.150 nan 0.000 0.501 943 Q N 0.683 120.149 119.800 -0.556 0.000 2.351 943 Q HA 0.528 4.867 4.340 -0.001 0.000 0.273 943 Q C 1.092 176.975 176.000 -0.196 0.000 1.077 943 Q CA -0.221 55.420 55.803 -0.269 0.000 0.843 943 Q CB 1.930 30.577 28.738 -0.151 0.000 1.367 943 Q HN 0.796 nan 8.270 nan 0.000 0.449 944 G N 0.067 108.789 108.800 -0.130 0.000 2.603 944 G HA2 -0.045 3.915 3.960 -0.001 0.000 0.214 944 G HA3 -0.045 3.915 3.960 -0.001 0.000 0.214 944 G C 0.177 175.042 174.900 -0.059 0.000 1.140 944 G CA 0.543 45.578 45.100 -0.109 0.000 0.800 944 G HN 0.433 nan 8.290 nan 0.000 0.533 945 Q N -1.382 118.402 119.800 -0.028 0.000 2.527 945 Q HA 0.514 4.853 4.340 -0.001 0.000 0.280 945 Q C -2.373 173.645 176.000 0.030 0.000 0.977 945 Q CA -0.913 54.888 55.803 -0.002 0.000 0.837 945 Q CB 2.204 30.927 28.738 -0.026 0.000 1.454 945 Q HN 0.053 nan 8.270 nan 0.000 0.387 946 F N 1.228 121.080 119.950 -0.163 0.000 2.556 946 F HA 0.650 5.176 4.527 -0.001 0.000 0.314 946 F C 0.515 176.062 175.800 -0.422 0.000 1.106 946 F CA 0.463 58.300 58.000 -0.270 0.000 0.911 946 F CB 2.075 40.924 39.000 -0.251 0.000 1.190 946 F HN 0.673 nan 8.300 nan 0.000 0.448 947 G N 3.055 110.896 108.800 -1.598 0.000 2.141 947 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.231 947 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.231 947 G C 1.020 175.244 174.900 -1.126 0.000 0.984 947 G CA 0.238 44.103 45.100 -2.058 0.000 0.660 947 G HN 1.557 nan 8.290 nan 0.000 0.525 948 G N 1.123 109.557 108.800 -0.611 0.000 2.470 948 G HA2 0.017 3.976 3.960 -0.001 0.000 0.220 948 G HA3 0.017 3.976 3.960 -0.001 0.000 0.220 948 G C 1.247 176.080 174.900 -0.112 0.000 1.121 948 G CA 1.780 46.750 45.100 -0.217 0.000 0.766 948 G HN 0.823 nan 8.290 nan 0.000 0.553 949 D N -0.714 119.539 120.400 -0.246 0.000 2.339 949 D HA 0.010 4.650 4.640 -0.001 0.000 0.217 949 D C 0.360 176.655 176.300 -0.008 0.000 1.050 949 D CA -0.448 53.500 54.000 -0.087 0.000 0.856 949 D CB -0.876 39.881 40.800 -0.072 0.000 0.922 949 D HN 0.462 nan 8.370 nan 0.000 0.518 950 H N 1.203 120.163 119.070 -0.185 0.000 2.848 950 H HA 0.221 4.777 4.556 -0.001 0.000 0.341 950 H C -1.980 173.312 175.328 -0.060 0.000 1.060 950 H CA -1.724 54.239 56.048 -0.142 0.000 1.444 950 H CB 0.547 30.173 29.762 -0.226 0.000 1.446 950 H HN 0.008 nan 8.280 nan 0.000 0.583 951 P HA -0.055 nan 4.420 nan 0.000 0.268 951 P C -0.545 176.811 177.300 0.092 0.000 1.205 951 P CA 0.056 63.209 63.100 0.088 0.000 0.771 951 P CB 0.739 32.469 31.700 0.049 0.000 0.858 952 S N 2.234 118.019 115.700 0.143 0.000 2.464 952 S HA 0.559 5.029 4.470 -0.001 0.000 0.313 952 S C 0.045 174.729 174.600 0.140 0.000 1.078 952 S CA -0.569 57.743 58.200 0.188 0.000 1.096 952 S CB -0.756 62.669 63.200 0.375 0.000 1.032 952 S HN 0.494 nan 8.310 nan 0.000 0.498 953 A N 4.820 127.718 122.820 0.130 0.000 2.332 953 A HA 0.526 4.846 4.320 -0.001 0.000 0.258 953 A C 0.493 178.121 177.584 0.073 0.000 1.087 953 A CA -0.773 51.314 52.037 0.083 0.000 0.802 953 A CB 0.204 19.257 19.000 0.088 0.000 1.042 953 A HN 0.962 nan 8.150 nan 0.000 0.489 954 R N 0.733 121.240 120.500 0.012 0.000 2.619 954 R HA -0.039 4.301 4.340 -0.001 0.000 0.268 954 R C 0.596 176.895 176.300 -0.002 0.000 0.990 954 R CA 0.813 56.901 56.100 -0.020 0.000 1.092 954 R CB 0.079 30.351 30.300 -0.046 0.000 0.935 954 R HN 0.885 nan 8.270 nan 0.000 0.415 955 E N 1.455 121.622 120.200 -0.056 0.000 2.265 955 E HA -0.235 4.114 4.350 -0.001 0.000 0.196 955 E C 0.274 176.897 176.600 0.038 0.000 0.996 955 E CA 1.458 57.807 56.400 -0.085 0.000 0.832 955 E CB -0.118 29.512 29.700 -0.118 0.000 0.756 955 E HN 0.845 nan 8.360 nan 0.000 0.491 956 D N 0.805 121.192 120.400 -0.021 0.000 2.340 956 D HA 0.007 4.647 4.640 -0.001 0.000 0.220 956 D C 0.423 176.714 176.300 -0.015 0.000 1.039 956 D CA 0.077 54.026 54.000 -0.086 0.000 0.866 956 D CB -0.077 40.616 40.800 -0.178 0.000 0.913 956 D HN 0.212 nan 8.370 nan 0.000 0.523 957 L N 0.480 121.741 121.223 0.064 0.000 2.309 957 L HA 0.419 4.758 4.340 -0.001 0.000 0.282 957 L C -0.429 176.562 176.870 0.202 0.000 1.036 957 L CA -0.680 54.217 54.840 0.095 0.000 0.806 957 L CB 1.595 43.697 42.059 0.071 0.000 1.220 957 L HN -0.181 nan 8.230 nan 0.000 0.429 958 D N 1.343 121.884 120.400 0.235 0.000 2.575 958 D HA 0.329 4.969 4.640 -0.001 0.000 0.236 958 D C -1.004 175.453 176.300 0.261 0.000 1.075 958 D CA -0.361 53.803 54.000 0.273 0.000 0.860 958 D CB 2.651 43.661 40.800 0.349 0.000 1.475 958 D HN 0.048 nan 8.370 nan 0.000 0.474 959 V N 3.606 123.653 119.914 0.221 0.000 2.267 959 V HA 0.113 4.233 4.120 -0.001 0.000 0.254 959 V C 1.337 177.567 176.094 0.226 0.000 1.144 959 V CA 0.010 62.452 62.300 0.237 0.000 0.992 959 V CB 0.341 32.291 31.823 0.211 0.000 1.199 959 V HN 0.581 nan 8.190 nan 0.000 0.493 960 S N 3.069 118.931 115.700 0.272 0.000 2.382 960 S HA -0.018 4.452 4.470 -0.001 0.000 0.228 960 S C 0.680 175.341 174.600 0.101 0.000 1.027 960 S CA 0.869 59.186 58.200 0.196 0.000 0.991 960 S CB 0.161 63.537 63.200 0.293 0.000 0.823 960 S HN 0.502 nan 8.310 nan 0.000 0.469 961 V N 1.554 121.565 119.914 0.162 0.000 2.686 961 V HA 0.518 4.638 4.120 -0.001 0.000 0.306 961 V C -0.752 175.417 176.094 0.125 0.000 1.065 961 V CA -0.542 61.830 62.300 0.119 0.000 0.894 961 V CB 1.864 33.781 31.823 0.157 0.000 1.004 961 V HN 0.366 nan 8.190 nan 0.000 0.424 962 M N 5.605 125.200 119.600 -0.008 0.000 2.197 962 M HA 0.682 5.162 4.480 -0.001 0.000 0.301 962 M C -1.007 175.127 176.300 -0.277 0.000 0.987 962 M CA -0.503 54.662 55.300 -0.226 0.000 0.921 962 M CB 1.459 33.928 32.600 -0.218 0.000 1.569 962 M HN 0.742 nan 8.290 nan 0.000 0.431 963 R N 4.161 124.425 120.500 -0.393 0.000 2.510 963 R HA 0.416 4.755 4.340 -0.001 0.000 0.294 963 R C -1.345 174.723 176.300 -0.387 0.000 1.056 963 R CA -0.680 55.239 56.100 -0.302 0.000 0.918 963 R CB 1.772 31.972 30.300 -0.166 0.000 1.187 963 R HN 0.901 nan 8.270 nan 0.000 0.437 964 R N 4.445 124.773 120.500 -0.287 0.000 2.442 964 R HA 0.114 4.453 4.340 -0.001 0.000 0.291 964 R C 0.239 176.424 176.300 -0.192 0.000 1.069 964 R CA 0.129 56.088 56.100 -0.234 0.000 1.022 964 R CB 0.602 30.821 30.300 -0.135 0.000 0.976 964 R HN 0.703 nan 8.270 nan 0.000 0.443 965 L N 2.971 124.074 121.223 -0.200 0.000 2.616 965 L HA 0.140 4.480 4.340 -0.001 0.000 0.229 965 L C 0.334 177.148 176.870 -0.093 0.000 1.110 965 L CA 0.066 54.807 54.840 -0.165 0.000 0.884 965 L CB 0.424 42.349 42.059 -0.222 0.000 1.115 965 L HN 0.712 nan 8.230 nan 0.000 0.481 966 T N -2.613 111.899 114.554 -0.071 0.000 2.887 966 T HA 0.450 4.800 4.350 -0.001 0.000 0.288 966 T C -0.239 174.451 174.700 -0.016 0.000 1.021 966 T CA -0.910 61.166 62.100 -0.039 0.000 1.000 966 T CB 2.439 71.290 68.868 -0.028 0.000 1.034 966 T HN -0.086 nan 8.240 nan 0.000 0.467 967 K N 0.884 121.280 120.400 -0.006 0.000 2.117 967 K HA 0.330 4.649 4.320 -0.001 0.000 0.240 967 K C 1.633 178.246 176.600 0.021 0.000 1.031 967 K CA -0.261 56.035 56.287 0.014 0.000 0.909 967 K CB 0.508 33.016 32.500 0.012 0.000 1.097 967 K HN 0.798 nan 8.250 nan 0.000 0.492 968 S N -0.664 115.057 115.700 0.035 0.000 2.447 968 S HA -0.140 4.330 4.470 -0.001 0.000 0.233 968 S C 1.745 176.359 174.600 0.023 0.000 1.006 968 S CA 1.383 59.603 58.200 0.033 0.000 0.957 968 S CB -0.371 62.856 63.200 0.044 0.000 0.773 968 S HN 0.617 nan 8.310 nan 0.000 0.507 969 S N 1.745 117.457 115.700 0.020 0.000 2.481 969 S HA 0.370 4.839 4.470 -0.001 0.000 0.231 969 S C 0.897 175.503 174.600 0.009 0.000 0.996 969 S CA 0.151 58.361 58.200 0.015 0.000 0.942 969 S CB -0.687 62.522 63.200 0.015 0.000 0.768 969 S HN 0.790 nan 8.310 nan 0.000 0.520 970 A N 1.991 124.815 122.820 0.006 0.000 2.451 970 A HA 0.357 4.676 4.320 -0.001 0.000 0.266 970 A C 1.263 178.851 177.584 0.006 0.000 1.119 970 A CA -0.357 51.681 52.037 0.001 0.000 0.786 970 A CB 0.181 19.178 19.000 -0.005 0.000 1.061 970 A HN 0.453 nan 8.150 nan 0.000 0.503 971 K N 1.798 122.200 120.400 0.004 0.000 2.063 971 K HA -0.092 4.227 4.320 -0.001 0.000 0.208 971 K C 0.080 176.687 176.600 0.012 0.000 1.048 971 K CA 1.675 57.966 56.287 0.008 0.000 0.928 971 K CB -0.030 32.472 32.500 0.004 0.000 0.713 971 K HN 0.659 nan 8.250 nan 0.000 0.442 972 T N 2.488 117.046 114.554 0.006 0.000 2.753 972 T HA 0.185 4.534 4.350 -0.001 0.000 0.297 972 T C -0.836 173.875 174.700 0.018 0.000 0.981 972 T CA -0.680 61.426 62.100 0.011 0.000 0.956 972 T CB 1.433 70.297 68.868 -0.007 0.000 0.936 972 T HN 0.085 nan 8.240 nan 0.000 0.463 973 Q N 2.784 122.613 119.800 0.048 0.000 2.327 973 Q HA 0.383 4.723 4.340 -0.001 0.000 0.254 973 Q C 0.079 176.130 176.000 0.086 0.000 0.952 973 Q CA 0.063 55.898 55.803 0.053 0.000 0.884 973 Q CB 1.341 30.111 28.738 0.054 0.000 1.224 973 Q HN 0.540 nan 8.270 nan 0.000 0.422 974 R N 0.487 121.003 120.500 0.026 0.000 2.561 974 R HA 0.640 4.980 4.340 -0.001 0.000 0.297 974 R C -1.046 175.206 176.300 -0.080 0.000 0.969 974 R CA -0.647 55.453 56.100 -0.001 0.000 0.879 974 R CB 1.824 32.089 30.300 -0.057 0.000 1.178 974 R HN 0.257 nan 8.270 nan 0.000 0.445 975 V N 1.550 121.414 119.914 -0.082 0.000 2.588 975 V HA 0.599 4.718 4.120 -0.001 0.000 0.304 975 V C 0.227 176.047 176.094 -0.456 0.000 1.042 975 V CA -0.860 61.258 62.300 -0.303 0.000 0.877 975 V CB 2.018 33.664 31.823 -0.295 0.000 0.996 975 V HN 0.944 nan 8.190 nan 0.000 0.425 976 G N 2.921 111.251 108.800 -0.782 0.000 2.371 976 G HA2 0.666 4.625 3.960 -0.001 0.000 0.326 976 G HA3 0.666 4.625 3.960 -0.001 0.000 0.326 976 G C -1.653 172.835 174.900 -0.688 0.000 1.127 976 G CA -0.307 44.193 45.100 -0.999 0.000 0.885 976 G HN 0.508 nan 8.290 nan 0.000 0.477 977 Y N 0.407 120.812 120.300 0.175 0.000 2.442 977 Y HA 0.463 5.013 4.550 -0.001 0.000 0.344 977 Y C -0.128 176.038 175.900 0.443 0.000 0.976 977 Y CA -0.905 57.371 58.100 0.294 0.000 1.040 977 Y CB 2.758 41.355 38.460 0.227 0.000 1.228 977 Y HN 0.342 nan 8.280 nan 0.000 0.451 978 V N 4.929 125.135 119.914 0.486 0.000 2.370 978 V HA 0.354 4.474 4.120 -0.001 0.000 0.283 978 V C -0.809 175.507 176.094 0.370 0.000 1.023 978 V CA -0.648 61.861 62.300 0.349 0.000 0.857 978 V CB 1.443 33.424 31.823 0.263 0.000 0.985 978 V HN 0.524 nan 8.190 nan 0.000 0.443 979 L N 5.091 126.517 121.223 0.339 0.000 2.296 979 L HA 0.614 4.953 4.340 -0.001 0.000 0.286 979 L C -0.644 176.418 176.870 0.319 0.000 1.023 979 L CA -0.151 54.882 54.840 0.321 0.000 0.812 979 L CB 1.256 43.505 42.059 0.315 0.000 1.223 979 L HN 0.770 nan 8.230 nan 0.000 0.421 980 H N 4.370 123.589 119.070 0.248 0.000 2.547 980 H HA 0.529 5.084 4.556 -0.001 0.000 0.342 980 H C -1.086 174.325 175.328 0.139 0.000 1.048 980 H CA -0.570 55.595 56.048 0.196 0.000 1.204 980 H CB 1.001 30.950 29.762 0.311 0.000 1.493 980 H HN 0.557 nan 8.280 nan 0.000 0.511 981 R N 4.421 124.580 120.500 -0.567 0.000 2.295 981 R HA 0.256 4.596 4.340 -0.001 0.000 0.324 981 R C -0.290 175.582 176.300 -0.714 0.000 0.968 981 R CA -0.395 55.432 56.100 -0.455 0.000 0.837 981 R CB 1.379 31.540 30.300 -0.231 0.000 1.133 981 R HN 0.803 nan 8.270 nan 0.000 0.450 982 T N 1.569 115.853 114.554 -0.451 0.000 2.793 982 T HA 0.158 4.507 4.350 -0.001 0.000 0.299 982 T C -0.400 174.123 174.700 -0.296 0.000 1.038 982 T CA -0.353 61.575 62.100 -0.287 0.000 0.948 982 T CB 0.549 69.324 68.868 -0.154 0.000 1.231 982 T HN 0.660 nan 8.240 nan 0.000 0.538 983 N N 0.533 119.083 118.700 -0.251 0.000 2.399 983 N HA 0.479 5.218 4.740 -0.001 0.000 0.284 983 N C -1.484 173.865 175.510 -0.269 0.000 1.025 983 N CA -0.502 52.343 53.050 -0.342 0.000 0.885 983 N CB 0.699 38.827 38.487 -0.599 0.000 1.339 983 N HN 0.468 nan 8.380 nan 0.000 0.487 984 L N 2.662 123.725 121.223 -0.268 0.000 2.331 984 L HA 0.546 4.885 4.340 -0.001 0.000 0.275 984 L C 0.461 177.208 176.870 -0.204 0.000 1.022 984 L CA -0.968 53.751 54.840 -0.202 0.000 0.812 984 L CB 1.649 43.599 42.059 -0.181 0.000 1.257 984 L HN 0.388 nan 8.230 nan 0.000 0.435 985 M N 1.847 121.348 119.600 -0.165 0.000 2.245 985 M HA 0.103 4.582 4.480 -0.001 0.000 0.344 985 M C -0.157 176.061 176.300 -0.137 0.000 1.170 985 M CA 0.214 55.420 55.300 -0.156 0.000 1.135 985 M CB 0.398 32.913 32.600 -0.142 0.000 1.574 985 M HN 0.529 nan 8.290 nan 0.000 0.452 986 Q N 1.654 121.377 119.800 -0.128 0.000 2.307 986 Q HA 0.173 4.512 4.340 -0.001 0.000 0.259 986 Q C -0.313 175.635 176.000 -0.087 0.000 0.998 986 Q CA -0.245 55.498 55.803 -0.101 0.000 0.923 986 Q CB 0.690 29.371 28.738 -0.094 0.000 1.196 986 Q HN 0.777 nan 8.270 nan 0.000 0.416 987 c N 1.363 119.916 118.600 -0.079 0.000 3.240 987 c HA 0.395 4.965 4.570 -0.001 0.000 0.271 987 c C 1.231 175.287 174.090 -0.057 0.000 1.534 987 c CA -0.117 56.170 56.329 -0.070 0.000 1.796 987 c CB -0.452 42.010 42.510 -0.080 0.000 2.892 987 c HN 1.132 nan 8.230 nan 0.000 0.566 988 G N 1.394 110.163 108.800 -0.052 0.000 2.141 988 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.231 988 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.231 988 G C -0.024 174.853 174.900 -0.039 0.000 0.984 988 G CA 0.322 45.397 45.100 -0.042 0.000 0.660 988 G HN 0.444 nan 8.290 nan 0.000 0.525 989 T N 2.946 117.474 114.554 -0.043 0.000 2.729 989 T HA 0.498 4.847 4.350 -0.001 0.000 0.296 989 T C -1.712 172.967 174.700 -0.035 0.000 0.928 989 T CA -0.579 61.498 62.100 -0.038 0.000 1.045 989 T CB 1.491 70.334 68.868 -0.041 0.000 0.902 989 T HN 0.187 nan 8.240 nan 0.000 0.500 990 P HA 0.077 nan 4.420 nan 0.000 0.265 990 P C 0.057 177.344 177.300 -0.022 0.000 1.193 990 P CA -0.244 62.842 63.100 -0.023 0.000 0.765 990 P CB 0.504 32.194 31.700 -0.017 0.000 0.823 991 E N 3.034 123.221 120.200 -0.021 0.000 2.290 991 E HA 0.034 4.383 4.350 -0.001 0.000 0.277 991 E C 0.084 176.684 176.600 -0.001 0.000 1.035 991 E CA -0.522 55.866 56.400 -0.019 0.000 0.873 991 E CB 0.634 30.319 29.700 -0.025 0.000 1.029 991 E HN 0.423 nan 8.360 nan 0.000 0.419 992 E N 4.414 124.615 120.200 0.001 0.000 2.277 992 E HA 0.050 4.399 4.350 -0.001 0.000 0.274 992 E C -0.648 175.979 176.600 0.045 0.000 1.022 992 E CA -0.669 55.748 56.400 0.028 0.000 0.853 992 E CB 0.838 30.549 29.700 0.019 0.000 1.086 992 E HN 0.548 nan 8.360 nan 0.000 0.397 993 H N 1.734 120.798 119.070 -0.011 0.000 3.034 993 H HA 0.062 4.618 4.556 -0.001 0.000 0.324 993 H C -0.288 175.043 175.328 0.006 0.000 1.015 993 H CA 1.165 57.210 56.048 -0.005 0.000 1.429 993 H CB 0.453 30.211 29.762 -0.006 0.000 1.429 993 H HN 0.644 nan 8.280 nan 0.000 0.585 994 T N 1.717 116.026 114.554 -0.407 0.000 2.910 994 T HA 0.422 4.772 4.350 -0.001 0.000 0.287 994 T C -0.356 174.115 174.700 -0.380 0.000 1.050 994 T CA -1.250 60.707 62.100 -0.238 0.000 1.011 994 T CB 1.443 70.241 68.868 -0.118 0.000 1.195 994 T HN 0.659 nan 8.240 nan 0.000 0.540 995 Q N 0.489 120.216 119.800 -0.121 0.000 2.230 995 Q HA 0.378 4.718 4.340 -0.001 0.000 0.253 995 Q C -0.353 175.611 176.000 -0.060 0.000 0.919 995 Q CA -0.851 54.913 55.803 -0.064 0.000 0.908 995 Q CB 1.583 30.343 28.738 0.036 0.000 1.245 995 Q HN 0.566 nan 8.270 nan 0.000 0.437 996 K N 1.968 122.338 120.400 -0.050 0.000 2.484 996 K HA 0.021 4.341 4.320 -0.001 0.000 0.280 996 K C -0.934 175.649 176.600 -0.027 0.000 1.013 996 K CA -0.190 56.074 56.287 -0.040 0.000 1.029 996 K CB 0.324 32.805 32.500 -0.032 0.000 0.902 996 K HN 0.400 nan 8.250 nan 0.000 0.481 997 L N 4.929 126.134 121.223 -0.030 0.000 2.265 997 L HA 0.269 4.609 4.340 -0.001 0.000 0.289 997 L C -1.133 175.692 176.870 -0.074 0.000 1.033 997 L CA -0.050 54.768 54.840 -0.035 0.000 0.814 997 L CB 1.159 43.209 42.059 -0.016 0.000 1.203 997 L HN 0.600 nan 8.230 nan 0.000 0.423 998 D N 3.498 123.849 120.400 -0.082 0.000 2.460 998 D HA 0.162 4.802 4.640 -0.001 0.000 0.232 998 D C 1.099 177.303 176.300 -0.160 0.000 1.079 998 D CA -0.274 53.658 54.000 -0.114 0.000 0.864 998 D CB 1.242 42.012 40.800 -0.050 0.000 1.048 998 D HN 0.385 nan 8.370 nan 0.000 0.523 999 V N 1.414 121.139 119.914 -0.315 0.000 2.594 999 V HA -0.175 3.944 4.120 -0.001 0.000 0.253 999 V C 2.097 177.898 176.094 -0.488 0.000 1.069 999 V CA 1.045 62.984 62.300 -0.602 0.000 1.082 999 V CB -1.052 30.129 31.823 -1.070 0.000 0.680 999 V HN 0.611 nan 8.190 nan 0.000 0.469 1000 c N 0.544 118.993 118.600 -0.252 0.000 2.456 1000 c HA 0.040 4.610 4.570 -0.001 0.000 0.279 1000 c C 2.132 176.141 174.090 -0.135 0.000 1.427 1000 c CA 1.162 57.413 56.329 -0.130 0.000 1.778 1000 c CB -1.762 40.664 42.510 -0.140 0.000 1.842 1000 c HN 0.765 nan 8.230 nan 0.000 0.531 1001 H N -0.937 118.115 119.070 -0.030 0.000 2.520 1001 H HA 0.255 4.811 4.556 -0.001 0.000 0.284 1001 H C 1.742 177.106 175.328 0.060 0.000 1.037 1001 H CA 0.015 56.085 56.048 0.036 0.000 1.168 1001 H CB 0.048 29.812 29.762 0.004 0.000 1.497 1001 H HN 0.343 nan 8.280 nan 0.000 0.547 1002 L N -0.154 121.132 121.223 0.106 0.000 2.141 1002 L HA -0.038 4.302 4.340 -0.001 0.000 0.209 1002 L C 0.184 177.199 176.870 0.240 0.000 1.094 1002 L CA 0.895 55.822 54.840 0.144 0.000 0.763 1002 L CB 0.080 42.188 42.059 0.082 0.000 0.908 1002 L HN 0.204 nan 8.230 nan 0.000 0.437 1003 L N 0.124 121.448 121.223 0.167 0.000 2.322 1003 L HA 0.365 4.705 4.340 -0.001 0.000 0.279 1003 L C -2.035 174.884 176.870 0.082 0.000 1.036 1003 L CA -1.981 52.882 54.840 0.040 0.000 0.807 1003 L CB 1.392 43.233 42.059 -0.363 0.000 1.226 1003 L HN -0.196 nan 8.230 nan 0.000 0.433 1004 P HA 0.119 nan 4.420 nan 0.000 0.274 1004 P C -0.835 176.579 177.300 0.190 0.000 1.256 1004 P CA -0.254 62.920 63.100 0.122 0.000 0.795 1004 P CB 0.360 32.109 31.700 0.081 0.000 1.038 1005 N N -3.358 115.434 118.700 0.153 0.000 2.754 1005 N HA -0.151 4.589 4.740 -0.001 0.000 0.248 1005 N C 0.020 175.607 175.510 0.129 0.000 1.093 1005 N CA 0.099 53.227 53.050 0.131 0.000 0.699 1005 N CB -2.056 36.499 38.487 0.114 0.000 1.016 1005 N HN 0.246 nan 8.380 nan 0.000 0.552 1006 V N -0.028 119.917 119.914 0.053 0.000 2.673 1006 V HA 0.343 4.463 4.120 -0.001 0.000 0.303 1006 V C 1.212 177.203 176.094 -0.171 0.000 1.046 1006 V CA 1.234 63.391 62.300 -0.239 0.000 1.126 1006 V CB 1.198 32.769 31.823 -0.419 0.000 0.934 1006 V HN 0.440 nan 8.190 nan 0.000 0.487 1007 A N 6.957 129.654 122.820 -0.205 0.000 2.211 1007 A HA 0.483 4.802 4.320 -0.001 0.000 0.208 1007 A C 0.939 178.484 177.584 -0.065 0.000 1.250 1007 A CA 0.015 51.995 52.037 -0.095 0.000 0.935 1007 A CB 0.275 19.235 19.000 -0.067 0.000 0.982 1007 A HN 0.762 nan 8.150 nan 0.000 0.490 1008 R N -1.604 118.831 120.500 -0.108 0.000 2.629 1008 R HA 0.492 4.831 4.340 -0.001 0.000 0.266 1008 R C -2.309 173.966 176.300 -0.042 0.000 1.051 1008 R CA -0.315 55.783 56.100 -0.004 0.000 0.895 1008 R CB 1.574 31.877 30.300 0.004 0.000 1.246 1008 R HN 0.318 nan 8.270 nan 0.000 0.459 1009 c N 2.602 121.232 118.600 0.050 0.000 2.481 1009 c HA 0.618 5.188 4.570 -0.001 0.000 0.324 1009 c C -1.241 172.942 174.090 0.155 0.000 1.170 1009 c CA -0.209 56.150 56.329 0.051 0.000 1.361 1009 c CB 1.327 43.827 42.510 -0.016 0.000 1.977 1009 c HN 0.930 nan 8.230 nan 0.000 0.459 1010 E N 2.948 123.263 120.200 0.192 0.000 2.248 1010 E HA 0.430 4.780 4.350 -0.001 0.000 0.267 1010 E C -0.965 175.810 176.600 0.292 0.000 0.877 1010 E CA -0.593 55.938 56.400 0.218 0.000 0.759 1010 E CB 1.885 31.676 29.700 0.152 0.000 1.182 1010 E HN 0.651 nan 8.360 nan 0.000 0.418 1011 R N 1.577 122.232 120.500 0.259 0.000 2.390 1011 R HA 0.301 4.640 4.340 -0.001 0.000 0.291 1011 R C -0.440 175.892 176.300 0.054 0.000 1.070 1011 R CA 0.143 56.317 56.100 0.123 0.000 1.014 1011 R CB 0.613 30.958 30.300 0.075 0.000 1.007 1011 R HN 0.676 nan 8.270 nan 0.000 0.466 1012 T N -0.217 114.341 114.554 0.007 0.000 2.907 1012 T HA 0.349 4.698 4.350 -0.001 0.000 0.290 1012 T C 0.108 174.788 174.700 -0.033 0.000 1.066 1012 T CA -0.769 61.355 62.100 0.039 0.000 1.012 1012 T CB 1.401 70.362 68.868 0.156 0.000 1.184 1012 T HN 0.620 nan 8.240 nan 0.000 0.522 1013 T N 0.247 114.785 114.554 -0.026 0.000 2.791 1013 T HA 0.185 4.535 4.350 -0.001 0.000 0.323 1013 T C 1.616 176.231 174.700 -0.143 0.000 1.082 1013 T CA -0.663 61.399 62.100 -0.064 0.000 1.084 1013 T CB -0.069 68.780 68.868 -0.031 0.000 0.992 1013 T HN 0.568 nan 8.240 nan 0.000 0.547 1014 L N 1.194 122.319 121.223 -0.164 0.000 2.353 1014 L HA -0.044 4.296 4.340 -0.001 0.000 0.220 1014 L C 2.871 179.450 176.870 -0.484 0.000 1.133 1014 L CA 1.467 56.143 54.840 -0.272 0.000 0.798 1014 L CB -1.055 40.929 42.059 -0.126 0.000 0.922 1014 L HN 0.989 nan 8.230 nan 0.000 0.445 1015 T N -4.884 109.492 114.554 -0.296 0.000 3.129 1015 T HA -0.001 4.349 4.350 -0.001 0.000 0.251 1015 T C 0.762 175.365 174.700 -0.161 0.000 1.117 1015 T CA -0.173 61.788 62.100 -0.231 0.000 1.034 1015 T CB -0.140 68.712 68.868 -0.026 0.000 0.968 1015 T HN 0.220 nan 8.240 nan 0.000 0.526 1016 F N -0.942 119.019 119.950 0.019 0.000 2.794 1016 F HA -0.191 4.335 4.527 -0.001 0.000 0.335 1016 F C 1.026 176.825 175.800 -0.001 0.000 0.653 1016 F CA -0.024 57.980 58.000 0.006 0.000 1.266 1016 F CB -2.307 36.693 39.000 -0.001 0.000 1.666 1016 F HN 0.237 nan 8.300 nan 0.000 0.314 1017 L N -0.845 120.448 121.223 0.116 0.000 2.509 1017 L HA 0.097 4.437 4.340 -0.001 0.000 0.222 1017 L C 1.066 177.958 176.870 0.036 0.000 1.123 1017 L CA 0.916 55.796 54.840 0.067 0.000 0.856 1017 L CB 0.138 42.220 42.059 0.039 0.000 0.985 1017 L HN 0.343 nan 8.230 nan 0.000 0.456 1018 Q N 0.443 120.264 119.800 0.035 0.000 2.305 1018 Q HA 0.271 4.611 4.340 -0.001 0.000 0.271 1018 Q C -1.215 174.803 176.000 0.029 0.000 1.046 1018 Q CA -0.703 55.109 55.803 0.016 0.000 0.798 1018 Q CB 1.914 30.648 28.738 -0.007 0.000 1.286 1018 Q HN 0.079 nan 8.270 nan 0.000 0.435 1019 N N 4.399 123.115 118.700 0.027 0.000 2.458 1019 N HA 0.187 4.926 4.740 -0.001 0.000 0.270 1019 N C 0.324 175.852 175.510 0.029 0.000 1.102 1019 N CA 0.213 53.286 53.050 0.038 0.000 0.967 1019 N CB 1.086 39.592 38.487 0.030 0.000 1.078 1019 N HN 0.635 nan 8.380 nan 0.000 0.471 1020 L N 0.552 121.797 121.223 0.037 0.000 2.537 1020 L HA 0.298 4.638 4.340 -0.001 0.000 0.224 1020 L C 0.603 177.501 176.870 0.047 0.000 1.065 1020 L CA 0.432 55.288 54.840 0.027 0.000 0.860 1020 L CB 0.329 42.393 42.059 0.007 0.000 1.086 1020 L HN 0.510 nan 8.230 nan 0.000 0.482 1021 E N -0.460 119.787 120.200 0.079 0.000 2.347 1021 E HA 0.129 4.479 4.350 -0.001 0.000 0.285 1021 E C -1.328 175.371 176.600 0.165 0.000 0.925 1021 E CA -0.531 55.932 56.400 0.105 0.000 0.779 1021 E CB 1.511 31.267 29.700 0.093 0.000 1.233 1021 E HN 0.096 nan 8.360 nan 0.000 0.414 1022 H N 6.134 125.230 119.070 0.043 0.000 2.652 1022 H HA 0.318 4.874 4.556 -0.001 0.000 0.298 1022 H C -0.775 174.577 175.328 0.041 0.000 1.076 1022 H CA -0.563 55.507 56.048 0.038 0.000 1.360 1022 H CB 0.653 30.427 29.762 0.021 0.000 1.421 1022 H HN 0.377 nan 8.280 nan 0.000 0.464 1023 L N 5.298 126.470 121.223 -0.085 0.000 2.276 1023 L HA 0.102 4.442 4.340 -0.001 0.000 0.286 1023 L C 0.125 176.862 176.870 -0.223 0.000 1.061 1023 L CA -0.878 53.900 54.840 -0.103 0.000 0.807 1023 L CB 1.022 43.082 42.059 0.003 0.000 1.177 1023 L HN 0.661 nan 8.230 nan 0.000 0.429 1024 D N 2.856 123.157 120.400 -0.165 0.000 2.493 1024 D HA 0.131 4.771 4.640 -0.001 0.000 0.240 1024 D C 1.201 177.451 176.300 -0.083 0.000 1.142 1024 D CA 1.306 55.224 54.000 -0.135 0.000 0.872 1024 D CB 1.062 41.815 40.800 -0.079 0.000 1.173 1024 D HN 0.837 nan 8.370 nan 0.000 0.467 1025 G N 3.043 111.803 108.800 -0.066 0.000 2.166 1025 G HA2 -0.406 3.554 3.960 -0.001 0.000 0.260 1025 G HA3 -0.406 3.554 3.960 -0.001 0.000 0.260 1025 G C 0.782 175.709 174.900 0.045 0.000 0.986 1025 G CA 0.429 45.523 45.100 -0.010 0.000 0.683 1025 G HN 0.647 nan 8.290 nan 0.000 0.527 1026 M N -2.648 116.950 119.600 -0.004 0.000 2.576 1026 M HA -0.190 4.290 4.480 -0.001 0.000 0.200 1026 M C 0.082 176.419 176.300 0.062 0.000 0.487 1026 M CA 0.913 56.216 55.300 0.004 0.000 0.553 1026 M CB -1.826 30.754 32.600 -0.034 0.000 2.042 1026 M HN 0.232 nan 8.290 nan 0.000 0.758 1027 V N 0.716 120.646 119.914 0.026 0.000 2.417 1027 V HA 0.735 4.855 4.120 -0.001 0.000 0.291 1027 V C 0.563 176.578 176.094 -0.131 0.000 1.024 1027 V CA -0.346 61.953 62.300 -0.002 0.000 0.861 1027 V CB 1.818 33.629 31.823 -0.019 0.000 0.985 1027 V HN 0.372 nan 8.190 nan 0.000 0.436 1028 A N 7.937 130.594 122.820 -0.271 0.000 2.279 1028 A HA 0.756 5.076 4.320 -0.001 0.000 0.306 1028 A C -2.457 174.838 177.584 -0.483 0.000 1.300 1028 A CA -1.458 50.179 52.037 -0.667 0.000 0.925 1028 A CB 0.100 18.435 19.000 -1.109 0.000 1.152 1028 A HN 0.622 nan 8.150 nan 0.000 0.544 1029 P HA 0.191 nan 4.420 nan 0.000 0.272 1029 P C -0.144 177.142 177.300 -0.024 0.000 1.223 1029 P CA -0.199 62.847 63.100 -0.089 0.000 0.784 1029 P CB 0.565 32.273 31.700 0.013 0.000 0.923 1030 E N -0.004 120.193 120.200 -0.005 0.000 2.408 1030 E HA 0.215 4.565 4.350 -0.001 0.000 0.259 1030 E C 0.144 176.788 176.600 0.073 0.000 1.110 1030 E CA -0.694 55.730 56.400 0.039 0.000 0.929 1030 E CB 0.433 30.135 29.700 0.004 0.000 0.971 1030 E HN 0.291 nan 8.360 nan 0.000 0.438 1031 V N -1.058 118.903 119.914 0.078 0.000 2.973 1031 V HA 0.322 4.442 4.120 -0.001 0.000 0.314 1031 V C 0.220 176.313 176.094 -0.000 0.000 1.066 1031 V CA -1.122 61.214 62.300 0.059 0.000 1.021 1031 V CB 1.191 33.053 31.823 0.066 0.000 1.076 1031 V HN 0.741 nan 8.190 nan 0.000 0.462 1032 c N 2.559 121.155 118.600 -0.006 0.000 2.580 1032 c HA 0.426 4.995 4.570 -0.001 0.000 0.371 1032 c C -2.078 171.958 174.090 -0.091 0.000 1.308 1032 c CA -0.328 55.979 56.329 -0.036 0.000 2.428 1032 c CB -0.056 42.451 42.510 -0.006 0.000 2.529 1032 c HN 0.813 nan 8.230 nan 0.000 0.657 1033 P HA 0.047 nan 4.420 nan 0.000 0.264 1033 P C 0.266 177.415 177.300 -0.252 0.000 1.193 1033 P CA 0.916 63.882 63.100 -0.223 0.000 0.763 1033 P CB 0.180 31.729 31.700 -0.251 0.000 0.810 1034 M N -1.133 118.268 119.600 -0.332 0.000 2.939 1034 M HA -0.175 4.305 4.480 -0.001 0.000 0.194 1034 M C -0.158 176.143 176.300 0.002 0.000 0.617 1034 M CA 1.350 56.442 55.300 -0.348 0.000 0.734 1034 M CB -2.045 30.024 32.600 -0.886 0.000 2.637 1034 M HN 0.401 nan 8.290 nan 0.000 0.316 1035 E N 0.514 120.709 120.200 -0.009 0.000 2.227 1035 E HA 0.713 5.062 4.350 -0.001 0.000 0.268 1035 E C 0.105 176.771 176.600 0.110 0.000 0.990 1035 E CA -0.084 56.386 56.400 0.117 0.000 0.856 1035 E CB 1.341 31.076 29.700 0.058 0.000 1.159 1035 E HN 0.146 nan 8.360 nan 0.000 0.401 1036 T N 0.572 115.211 114.554 0.141 0.000 2.881 1036 T HA 0.696 5.046 4.350 -0.001 0.000 0.290 1036 T C -0.780 173.929 174.700 0.015 0.000 1.000 1036 T CA -0.661 61.527 62.100 0.146 0.000 0.978 1036 T CB 1.581 70.545 68.868 0.161 0.000 0.997 1036 T HN 0.508 nan 8.240 nan 0.000 0.443 1037 A N 1.974 124.803 122.820 0.015 0.000 2.469 1037 A HA 1.006 5.326 4.320 -0.001 0.000 0.299 1037 A C -0.974 176.504 177.584 -0.177 0.000 1.098 1037 A CA -0.954 50.995 52.037 -0.147 0.000 0.737 1037 A CB 1.514 20.372 19.000 -0.236 0.000 1.312 1037 A HN 1.105 nan 8.150 nan 0.000 0.414 1038 A N 0.154 122.778 122.820 -0.327 0.000 2.365 1038 A HA 0.823 5.143 4.320 -0.001 0.000 0.318 1038 A C -1.596 175.801 177.584 -0.311 0.000 1.091 1038 A CA -0.349 51.605 52.037 -0.139 0.000 0.763 1038 A CB 0.764 19.707 19.000 -0.095 0.000 1.248 1038 A HN 0.848 nan 8.150 nan 0.000 0.442 1039 Y N -0.001 120.512 120.300 0.355 0.000 2.512 1039 Y HA 0.582 5.132 4.550 -0.001 0.000 0.348 1039 Y C -0.283 175.800 175.900 0.304 0.000 0.990 1039 Y CA -0.905 57.362 58.100 0.278 0.000 1.033 1039 Y CB 2.510 41.091 38.460 0.202 0.000 1.259 1039 Y HN 0.418 nan 8.280 nan 0.000 0.461 1040 V N 2.287 122.410 119.914 0.349 0.000 2.483 1040 V HA 0.495 4.615 4.120 -0.001 0.000 0.297 1040 V C -0.689 175.494 176.094 0.148 0.000 1.027 1040 V CA -0.953 61.447 62.300 0.165 0.000 0.855 1040 V CB 1.768 33.623 31.823 0.053 0.000 0.995 1040 V HN 0.826 nan 8.190 nan 0.000 0.424 1041 S N 3.366 119.157 115.700 0.152 0.000 2.489 1041 S HA 0.721 5.191 4.470 -0.001 0.000 0.291 1041 S C -0.225 174.304 174.600 -0.118 0.000 1.151 1041 S CA -0.590 57.620 58.200 0.017 0.000 1.082 1041 S CB 1.590 64.874 63.200 0.140 0.000 1.019 1041 S HN 0.561 nan 8.310 nan 0.000 0.492 1042 S N 2.443 117.952 115.700 -0.318 0.000 2.501 1042 S HA 0.526 4.996 4.470 -0.001 0.000 0.301 1042 S C -0.877 173.389 174.600 -0.558 0.000 1.096 1042 S CA -0.771 57.270 58.200 -0.264 0.000 1.063 1042 S CB 0.500 63.621 63.200 -0.131 0.000 1.042 1042 S HN 0.786 nan 8.310 nan 0.000 0.494 1043 H N 0.896 119.953 119.070 -0.021 0.000 2.667 1043 H HA 0.265 4.821 4.556 -0.001 0.000 0.353 1043 H C 0.353 175.674 175.328 -0.012 0.000 1.072 1043 H CA -0.533 55.505 56.048 -0.017 0.000 1.214 1043 H CB 1.821 31.575 29.762 -0.014 0.000 1.600 1043 H HN 0.672 nan 8.280 nan 0.000 0.527 1044 S N 1.420 117.167 115.700 0.078 0.000 2.528 1044 S HA 0.051 4.520 4.470 -0.001 0.000 0.219 1044 S C 0.791 175.422 174.600 0.051 0.000 0.985 1044 S CA 0.274 58.500 58.200 0.044 0.000 0.914 1044 S CB 0.174 63.388 63.200 0.023 0.000 0.776 1044 S HN 0.648 nan 8.310 nan 0.000 0.526 1045 S N 0.000 115.744 115.700 0.073 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.230 58.200 0.050 0.000 1.107 1045 S CB 0.000 63.223 63.200 0.038 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517