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 3ejt_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 0.015 0.000 1.003 30 Q CA 0.000 55.810 55.803 0.011 0.000 1.022 30 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 31 c N 3.189 121.794 118.600 0.008 0.000 2.637 31 c HA 0.557 5.126 4.570 -0.001 0.000 0.418 31 c C 0.703 174.804 174.090 0.020 0.000 1.319 31 c CA -0.390 55.945 56.329 0.011 0.000 1.949 31 c CB 0.214 42.718 42.510 -0.011 0.000 2.639 31 c HN 0.703 nan 8.230 nan 0.000 0.594 32 Q N 1.738 121.565 119.800 0.045 0.000 2.361 32 Q HA 0.035 4.375 4.340 -0.001 0.000 0.276 32 Q C 0.003 176.031 176.000 0.048 0.000 1.022 32 Q CA 0.426 56.271 55.803 0.070 0.000 0.898 32 Q CB 0.522 29.339 28.738 0.132 0.000 1.246 32 Q HN 0.631 nan 8.270 nan 0.000 0.410 33 D N 1.886 122.316 120.400 0.050 0.000 2.336 33 D HA 0.054 4.694 4.640 -0.001 0.000 0.249 33 D C 0.555 176.899 176.300 0.072 0.000 1.213 33 D CA -0.197 53.815 54.000 0.020 0.000 0.870 33 D CB 1.188 42.000 40.800 0.020 0.000 1.076 33 D HN 0.388 nan 8.370 nan 0.000 0.483 34 V N 2.260 122.169 119.914 -0.008 0.000 3.649 34 V HA 0.062 4.181 4.120 -0.001 0.000 0.275 34 V C 1.141 177.273 176.094 0.065 0.000 1.281 34 V CA 0.198 62.546 62.300 0.080 0.000 1.143 34 V CB 0.153 31.855 31.823 -0.201 0.000 0.892 34 V HN 0.384 nan 8.190 nan 0.000 0.441 35 V N -0.047 119.826 119.914 -0.069 0.000 3.013 35 V HA 0.109 4.229 4.120 -0.001 0.000 0.238 35 V C 2.256 178.324 176.094 -0.044 0.000 1.161 35 V CA 1.208 63.420 62.300 -0.146 0.000 1.170 35 V CB 0.011 31.703 31.823 -0.219 0.000 0.917 35 V HN 0.487 nan 8.190 nan 0.000 0.478 36 Q N -0.385 119.442 119.800 0.044 0.000 2.319 36 Q HA 0.150 4.490 4.340 -0.001 0.000 0.209 36 Q C -0.520 175.559 176.000 0.132 0.000 0.884 36 Q CA 0.202 56.047 55.803 0.071 0.000 0.938 36 Q CB 0.737 29.491 28.738 0.027 0.000 1.098 36 Q HN 0.488 nan 8.270 nan 0.000 0.517 37 D N 1.276 121.789 120.400 0.187 0.000 2.453 37 D HA 0.174 4.814 4.640 -0.001 0.000 0.238 37 D C -0.719 175.696 176.300 0.191 0.000 1.088 37 D CA -0.242 53.855 54.000 0.161 0.000 0.854 37 D CB 2.128 43.001 40.800 0.121 0.000 1.076 37 D HN -0.163 nan 8.370 nan 0.000 0.533 38 V N 4.392 124.388 119.914 0.136 0.000 2.446 38 V HA 0.131 4.250 4.120 -0.001 0.000 0.276 38 V C -1.799 174.278 176.094 -0.029 0.000 1.030 38 V CA -1.101 61.203 62.300 0.007 0.000 1.033 38 V CB 0.338 32.171 31.823 0.017 0.000 0.993 38 V HN 0.306 nan 8.190 nan 0.000 0.477 39 P HA 0.095 nan 4.420 nan 0.000 0.268 39 P C -0.405 176.868 177.300 -0.044 0.000 1.205 39 P CA -0.189 62.882 63.100 -0.049 0.000 0.771 39 P CB 0.346 31.998 31.700 -0.078 0.000 0.858 40 N N 2.598 121.286 118.700 -0.019 0.000 2.462 40 N HA 0.309 5.048 4.740 -0.001 0.000 0.242 40 N C -1.085 174.418 175.510 -0.013 0.000 1.010 40 N CA -0.404 52.638 53.050 -0.014 0.000 0.939 40 N CB 0.030 38.517 38.487 -0.000 0.000 1.127 40 N HN 0.132 nan 8.380 nan 0.000 0.509 41 V N 0.462 120.361 119.914 -0.024 0.000 3.001 41 V HA 0.543 4.662 4.120 -0.001 0.000 0.314 41 V C 0.639 176.720 176.094 -0.023 0.000 1.099 41 V CA -0.738 61.550 62.300 -0.020 0.000 0.989 41 V CB 2.054 33.854 31.823 -0.037 0.000 1.040 41 V HN 0.372 nan 8.190 nan 0.000 0.434 42 D N 1.043 121.436 120.400 -0.011 0.000 2.144 42 D HA 0.018 4.658 4.640 -0.001 0.000 0.200 42 D C 0.505 176.776 176.300 -0.049 0.000 0.978 42 D CA 1.601 55.591 54.000 -0.016 0.000 0.833 42 D CB 0.460 41.266 40.800 0.010 0.000 0.961 42 D HN 0.430 nan 8.370 nan 0.000 0.470 43 V N 1.530 121.393 119.914 -0.084 0.000 2.483 43 V HA 0.213 4.333 4.120 -0.001 0.000 0.297 43 V C -0.336 175.664 176.094 -0.156 0.000 1.027 43 V CA -0.748 61.471 62.300 -0.134 0.000 0.855 43 V CB 2.365 34.065 31.823 -0.206 0.000 0.995 43 V HN -0.079 nan 8.190 nan 0.000 0.424 44 Q N 4.549 124.268 119.800 -0.135 0.000 2.341 44 Q HA 0.442 4.781 4.340 -0.001 0.000 0.268 44 Q C 0.403 176.308 176.000 -0.159 0.000 1.013 44 Q CA -0.683 55.033 55.803 -0.145 0.000 0.798 44 Q CB 1.888 30.562 28.738 -0.108 0.000 1.253 44 Q HN 0.673 nan 8.270 nan 0.000 0.457 45 M N 3.026 122.486 119.600 -0.234 0.000 2.213 45 M HA -0.152 4.328 4.480 -0.001 0.000 0.263 45 M C 1.586 177.783 176.300 -0.172 0.000 1.062 45 M CA 0.928 56.075 55.300 -0.256 0.000 1.105 45 M CB -0.752 31.565 32.600 -0.472 0.000 1.385 45 M HN 0.562 nan 8.290 nan 0.000 0.417 46 L N 0.684 121.802 121.223 -0.175 0.000 2.056 46 L HA -0.132 4.208 4.340 -0.001 0.000 0.207 46 L C 2.485 179.348 176.870 -0.011 0.000 1.078 46 L CA 1.809 56.579 54.840 -0.116 0.000 0.749 46 L CB -0.649 41.318 42.059 -0.154 0.000 0.901 46 L HN 0.263 nan 8.230 nan 0.000 0.433 47 E N -0.393 119.788 120.200 -0.033 0.000 2.072 47 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 47 E C 2.209 178.822 176.600 0.022 0.000 0.985 47 E CA 1.415 57.809 56.400 -0.009 0.000 0.801 47 E CB -0.306 29.375 29.700 -0.033 0.000 0.750 47 E HN 0.434 nan 8.360 nan 0.000 0.452 48 L N 0.547 121.782 121.223 0.020 0.000 2.012 48 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 48 L C 2.313 179.255 176.870 0.119 0.000 1.073 48 L CA 1.721 56.582 54.840 0.035 0.000 0.748 48 L CB -1.020 41.046 42.059 0.011 0.000 0.891 48 L HN 0.130 nan 8.230 nan 0.000 0.431 49 Y N 0.010 120.313 120.300 0.004 0.000 2.151 49 Y HA -0.286 4.263 4.550 -0.001 0.000 0.284 49 Y C 2.595 178.585 175.900 0.150 0.000 1.166 49 Y CA 1.868 60.054 58.100 0.144 0.000 1.163 49 Y CB -0.698 37.846 38.460 0.140 0.000 0.974 49 Y HN 0.363 nan 8.280 nan 0.000 0.511 50 D N -0.609 119.902 120.400 0.185 0.000 2.144 50 D HA -0.125 4.515 4.640 -0.001 0.000 0.199 50 D C 2.112 178.453 176.300 0.067 0.000 0.984 50 D CA 1.221 55.283 54.000 0.103 0.000 0.834 50 D CB 0.036 40.872 40.800 0.059 0.000 0.955 50 D HN 0.256 nan 8.370 nan 0.000 0.465 51 R N -0.903 119.619 120.500 0.038 0.000 2.100 51 R HA 0.138 4.477 4.340 -0.001 0.000 0.220 51 R C 0.988 177.269 176.300 -0.032 0.000 1.091 51 R CA 0.136 56.234 56.100 -0.003 0.000 0.986 51 R CB -0.033 30.251 30.300 -0.027 0.000 0.888 51 R HN 0.231 nan 8.270 nan 0.000 0.444 52 M N 0.883 120.433 119.600 -0.083 0.000 2.252 52 M HA -0.061 4.419 4.480 -0.001 0.000 0.333 52 M C 1.455 177.705 176.300 -0.083 0.000 1.111 52 M CA 0.362 55.522 55.300 -0.234 0.000 1.140 52 M CB 1.252 33.457 32.600 -0.658 0.000 1.538 52 M HN 0.094 nan 8.290 nan 0.000 0.448 53 S N 1.540 117.179 115.700 -0.102 0.000 2.503 53 S HA 0.070 4.540 4.470 -0.001 0.000 0.215 53 S C 0.629 175.344 174.600 0.192 0.000 1.003 53 S CA -0.174 58.060 58.200 0.057 0.000 0.910 53 S CB -0.117 63.089 63.200 0.011 0.000 0.790 53 S HN 0.762 nan 8.310 nan 0.000 0.514 54 F N 0.764 120.643 119.950 -0.117 0.000 3.057 54 F HA -0.139 4.388 4.527 -0.000 0.000 0.287 54 F C 0.137 175.946 175.800 0.015 0.000 0.834 54 F CA 0.371 58.306 58.000 -0.108 0.000 1.147 54 F CB -1.970 36.941 39.000 -0.149 0.000 1.245 54 F HN 0.121 nan 8.300 nan 0.000 0.509 55 K N 1.157 121.635 120.400 0.130 0.000 2.368 55 K HA 0.142 4.462 4.320 -0.001 0.000 0.282 55 K C 0.301 177.008 176.600 0.179 0.000 1.035 55 K CA -0.092 56.274 56.287 0.133 0.000 0.973 55 K CB 0.559 33.100 32.500 0.068 0.000 0.957 55 K HN 0.083 nan 8.250 nan 0.000 0.474 56 D N 3.625 124.144 120.400 0.198 0.000 2.564 56 D HA 0.162 4.802 4.640 -0.001 0.000 0.226 56 D C -0.250 176.098 176.300 0.080 0.000 1.149 56 D CA -0.505 53.618 54.000 0.205 0.000 0.994 56 D CB -0.607 40.322 40.800 0.216 0.000 1.029 56 D HN 0.465 nan 8.370 nan 0.000 0.517 57 I N -1.554 119.051 120.570 0.057 0.000 2.577 57 I HA 0.486 4.656 4.170 -0.001 0.000 0.305 57 I C 0.155 176.264 176.117 -0.013 0.000 0.986 57 I CA -0.988 60.323 61.300 0.018 0.000 1.189 57 I CB 1.392 39.402 38.000 0.016 0.000 1.355 57 I HN -0.150 nan 8.210 nan 0.000 0.476 58 D N 4.019 124.410 120.400 -0.015 0.000 2.346 58 D HA 0.166 4.805 4.640 -0.001 0.000 0.260 58 D C 1.002 177.290 176.300 -0.019 0.000 1.252 58 D CA 0.129 54.115 54.000 -0.024 0.000 0.895 58 D CB 1.480 42.273 40.800 -0.012 0.000 1.097 58 D HN 0.838 nan 8.370 nan 0.000 0.489 59 G N 2.417 111.189 108.800 -0.046 0.000 2.985 59 G HA2 0.413 4.372 3.960 -0.001 0.000 0.209 59 G HA3 0.413 4.372 3.960 -0.001 0.000 0.209 59 G C 0.898 175.801 174.900 0.006 0.000 1.165 59 G CA 0.401 45.476 45.100 -0.042 0.000 0.776 59 G HN 0.907 nan 8.290 nan 0.000 0.541 60 G N -0.594 108.214 108.800 0.013 0.000 2.464 60 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.216 60 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.216 60 G C 1.196 176.120 174.900 0.040 0.000 1.186 60 G CA 0.720 45.840 45.100 0.033 0.000 1.010 60 G HN 1.107 nan 8.290 nan 0.000 0.585 61 V N -3.567 116.370 119.914 0.039 0.000 2.392 61 V HA 0.073 4.193 4.120 -0.001 0.000 0.249 61 V C 1.470 177.598 176.094 0.056 0.000 1.059 61 V CA 2.431 64.739 62.300 0.013 0.000 1.051 61 V CB -0.582 31.216 31.823 -0.043 0.000 0.658 61 V HN 1.436 nan 8.190 nan 0.000 0.455 62 W N 2.642 123.857 121.300 -0.141 0.000 2.365 62 W HA 0.435 5.095 4.660 -0.001 0.000 0.371 62 W C 1.134 177.620 176.519 -0.054 0.000 1.006 62 W CA -1.771 55.486 57.345 -0.146 0.000 1.528 62 W CB 0.229 29.570 29.460 -0.199 0.000 1.497 62 W HN 0.036 nan 8.180 nan 0.000 0.367 63 K N 2.702 123.188 120.400 0.145 0.000 2.147 63 K HA -0.168 4.152 4.320 -0.001 0.000 0.205 63 K C 0.896 177.418 176.600 -0.129 0.000 1.049 63 K CA 1.448 57.728 56.287 -0.012 0.000 0.936 63 K CB 0.125 32.612 32.500 -0.022 0.000 0.722 63 K HN 0.578 nan 8.250 nan 0.000 0.446 64 Q N -0.756 118.925 119.800 -0.198 0.000 2.198 64 Q HA 0.164 4.504 4.340 -0.001 0.000 0.209 64 Q C 0.830 176.479 176.000 -0.585 0.000 0.848 64 Q CA -0.283 55.382 55.803 -0.230 0.000 0.974 64 Q CB 1.281 30.019 28.738 -0.000 0.000 1.115 64 Q HN 0.218 nan 8.270 nan 0.000 0.494 65 G N 0.626 108.656 108.800 -1.284 0.000 3.407 65 G HA2 0.522 4.481 3.960 -0.001 0.000 0.187 65 G HA3 0.522 4.481 3.960 -0.001 0.000 0.187 65 G C -1.401 173.192 174.900 -0.512 0.000 1.262 65 G CA -0.304 43.747 45.100 -1.748 0.000 0.808 65 G HN 0.353 nan 8.290 nan 0.000 0.687 66 W N -1.464 119.551 121.300 -0.476 0.000 2.988 66 W HA 0.631 5.291 4.660 -0.000 0.000 0.355 66 W C -1.509 175.098 176.519 0.146 0.000 1.233 66 W CA -1.158 56.135 57.345 -0.087 0.000 1.176 66 W CB 0.647 30.071 29.460 -0.060 0.000 1.477 66 W HN 0.183 nan 8.180 nan 0.000 0.582 67 N N 2.113 120.966 118.700 0.256 0.000 2.402 67 N HA 0.215 4.954 4.740 -0.001 0.000 0.259 67 N C -0.303 175.344 175.510 0.227 0.000 1.167 67 N CA 0.032 53.186 53.050 0.174 0.000 0.949 67 N CB 0.244 38.833 38.487 0.169 0.000 1.212 67 N HN 0.413 nan 8.380 nan 0.000 0.493 68 I N 2.076 122.682 120.570 0.061 0.000 2.618 68 I HA -0.019 4.151 4.170 -0.001 0.000 0.284 68 I C 0.837 177.112 176.117 0.263 0.000 1.146 68 I CA 0.377 61.781 61.300 0.172 0.000 1.425 68 I CB 0.451 38.498 38.000 0.079 0.000 1.383 68 I HN 0.115 nan 8.210 nan 0.000 0.562 69 K N 6.454 127.046 120.400 0.319 0.000 2.259 69 K HA 0.579 4.899 4.320 -0.001 0.000 0.249 69 K C -1.302 175.465 176.600 0.277 0.000 0.942 69 K CA -0.718 55.692 56.287 0.205 0.000 0.816 69 K CB 2.185 34.772 32.500 0.145 0.000 1.155 69 K HN 0.486 nan 8.250 nan 0.000 0.428 70 Y N -1.883 118.503 120.300 0.142 0.000 2.581 70 Y HA 0.411 4.960 4.550 -0.001 0.000 0.345 70 Y C -1.035 174.933 175.900 0.112 0.000 1.036 70 Y CA -1.545 56.639 58.100 0.140 0.000 1.042 70 Y CB 1.201 39.761 38.460 0.167 0.000 1.289 70 Y HN 0.387 nan 8.280 nan 0.000 0.471 71 D N 3.995 124.536 120.400 0.234 0.000 2.339 71 D HA 0.276 4.916 4.640 -0.001 0.000 0.241 71 D C -1.634 174.820 176.300 0.257 0.000 1.183 71 D CA -2.647 51.437 54.000 0.140 0.000 0.859 71 D CB 1.510 42.368 40.800 0.096 0.000 1.067 71 D HN 0.443 nan 8.370 nan 0.000 0.484 72 P HA -0.116 nan 4.420 nan 0.000 0.221 72 P C 1.400 178.834 177.300 0.224 0.000 1.145 72 P CA 0.683 63.967 63.100 0.306 0.000 0.795 72 P CB 0.362 32.179 31.700 0.195 0.000 0.775 73 L N -0.657 120.649 121.223 0.137 0.000 2.599 73 L HA 0.060 4.400 4.340 -0.001 0.000 0.230 73 L C 2.637 179.540 176.870 0.055 0.000 1.141 73 L CA 0.446 55.341 54.840 0.093 0.000 0.877 73 L CB -0.634 41.459 42.059 0.057 0.000 1.009 73 L HN -0.018 nan 8.230 nan 0.000 0.447 74 K N 0.467 120.884 120.400 0.029 0.000 2.057 74 K HA -0.148 4.171 4.320 -0.001 0.000 0.207 74 K C -0.090 176.352 176.600 -0.263 0.000 1.049 74 K CA 1.180 57.371 56.287 -0.160 0.000 0.931 74 K CB 0.078 32.419 32.500 -0.264 0.000 0.714 74 K HN 0.066 nan 8.250 nan 0.000 0.440 75 Y N 0.930 121.341 120.300 0.185 0.000 2.342 75 Y HA 0.236 4.786 4.550 -0.000 0.000 0.334 75 Y C 0.079 176.048 175.900 0.115 0.000 1.067 75 Y CA -0.997 57.204 58.100 0.167 0.000 1.128 75 Y CB 1.319 39.835 38.460 0.093 0.000 1.200 75 Y HN 0.289 nan 8.280 nan 0.000 0.464 76 N N -0.389 118.450 118.700 0.232 0.000 3.344 76 N HA 0.525 5.265 4.740 -0.001 0.000 0.296 76 N C 0.182 175.703 175.510 0.019 0.000 1.571 76 N CA -0.396 52.710 53.050 0.093 0.000 0.844 76 N CB 0.328 38.843 38.487 0.047 0.000 1.718 76 N HN 0.459 nan 8.380 nan 0.000 0.589 77 A N -1.120 121.614 122.820 -0.143 0.000 1.986 77 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 77 A C 0.977 178.452 177.584 -0.181 0.000 1.171 77 A CA 1.538 53.431 52.037 -0.240 0.000 0.640 77 A CB -1.107 17.640 19.000 -0.422 0.000 0.811 77 A HN 0.705 nan 8.150 nan 0.000 0.451 78 H N -2.948 116.181 119.070 0.097 0.000 2.551 78 H HA 0.180 4.736 4.556 -0.001 0.000 0.271 78 H C -0.319 175.116 175.328 0.178 0.000 0.984 78 H CA 0.699 56.809 56.048 0.103 0.000 1.164 78 H CB 0.017 29.827 29.762 0.080 0.000 1.437 78 H HN 0.728 nan 8.280 nan 0.000 0.550 79 H N 0.625 119.779 119.070 0.140 0.000 2.852 79 H HA 0.303 4.859 4.556 -0.000 0.000 0.274 79 H C -0.741 174.735 175.328 0.246 0.000 1.321 79 H CA -0.466 55.681 56.048 0.166 0.000 1.582 79 H CB 0.320 30.164 29.762 0.137 0.000 1.699 79 H HN -0.046 nan 8.280 nan 0.000 0.546 80 K N 2.316 122.688 120.400 -0.046 0.000 2.087 80 K HA 0.308 4.628 4.320 -0.001 0.000 0.255 80 K C -0.708 175.709 176.600 -0.305 0.000 0.988 80 K CA -1.263 54.970 56.287 -0.089 0.000 0.915 80 K CB 1.743 34.179 32.500 -0.106 0.000 1.043 80 K HN 0.227 nan 8.250 nan 0.000 0.457 81 L N 2.467 123.366 121.223 -0.540 0.000 2.278 81 L HA 0.159 4.499 4.340 -0.001 0.000 0.287 81 L C -0.869 175.723 176.870 -0.463 0.000 1.072 81 L CA 0.259 54.657 54.840 -0.735 0.000 0.819 81 L CB 0.179 41.623 42.059 -1.026 0.000 1.176 81 L HN 0.384 nan 8.230 nan 0.000 0.435 82 K N 4.539 124.695 120.400 -0.408 0.000 2.234 82 K HA 0.524 4.844 4.320 -0.001 0.000 0.277 82 K C -1.141 175.117 176.600 -0.571 0.000 1.038 82 K CA -0.552 55.454 56.287 -0.467 0.000 0.888 82 K CB 1.514 33.789 32.500 -0.375 0.000 1.091 82 K HN 0.394 nan 8.250 nan 0.000 0.467 83 V N 4.761 124.227 119.914 -0.748 0.000 2.409 83 V HA 0.359 4.479 4.120 -0.001 0.000 0.291 83 V C -0.895 174.661 176.094 -0.897 0.000 1.020 83 V CA -0.815 60.997 62.300 -0.813 0.000 0.848 83 V CB 0.600 31.771 31.823 -1.087 0.000 0.990 83 V HN 0.546 nan 8.190 nan 0.000 0.430 84 F N 3.756 123.456 119.950 -0.417 0.000 2.361 84 F HA 0.484 5.010 4.527 -0.001 0.000 0.364 84 F C 0.220 175.839 175.800 -0.302 0.000 1.117 84 F CA -0.702 57.108 58.000 -0.315 0.000 1.071 84 F CB 1.694 40.576 39.000 -0.197 0.000 1.188 84 F HN 0.189 nan 8.300 nan 0.000 0.464 85 V N 5.140 125.014 119.914 -0.066 0.000 2.385 85 V HA 0.269 4.389 4.120 -0.001 0.000 0.269 85 V C -0.157 176.038 176.094 0.167 0.000 1.043 85 V CA -0.586 61.742 62.300 0.048 0.000 0.906 85 V CB 1.138 33.063 31.823 0.170 0.000 0.995 85 V HN 0.424 nan 8.190 nan 0.000 0.467 86 V N 8.427 128.388 119.914 0.079 0.000 2.293 86 V HA 0.315 4.435 4.120 -0.001 0.000 0.275 86 V C -2.355 173.777 176.094 0.064 0.000 1.021 86 V CA -1.921 60.392 62.300 0.021 0.000 0.815 86 V CB 1.409 33.153 31.823 -0.131 0.000 1.025 86 V HN 0.718 nan 8.190 nan 0.000 0.448 87 P HA 0.344 nan 4.420 nan 0.000 0.271 87 P C -0.860 176.451 177.300 0.017 0.000 1.216 87 P CA 0.228 63.310 63.100 -0.030 0.000 0.771 87 P CB 0.372 31.862 31.700 -0.350 0.000 0.864 88 H N -1.139 117.941 119.070 0.017 0.000 3.017 88 H HA 0.790 5.346 4.556 -0.001 0.000 0.346 88 H C -1.492 173.951 175.328 0.192 0.000 1.286 88 H CA -1.110 54.863 56.048 -0.125 0.000 1.120 88 H CB 1.028 30.666 29.762 -0.206 0.000 1.860 88 H HN 0.193 nan 8.280 nan 0.000 0.542 89 S N 0.810 116.532 115.700 0.035 0.000 2.776 89 S HA 0.201 4.671 4.470 -0.001 0.000 0.284 89 S C -1.836 172.685 174.600 -0.132 0.000 1.160 89 S CA -0.665 57.587 58.200 0.087 0.000 1.051 89 S CB 0.127 63.558 63.200 0.385 0.000 1.037 89 S HN 0.835 nan 8.310 nan 0.000 0.485 90 H N 4.469 123.426 119.070 -0.189 0.000 2.864 90 H HA 0.423 4.978 4.556 -0.001 0.000 0.281 90 H C -0.132 174.795 175.328 -0.668 0.000 1.093 90 H CA 0.238 56.090 56.048 -0.327 0.000 1.453 90 H CB 0.199 29.797 29.762 -0.274 0.000 1.462 90 H HN 0.556 nan 8.280 nan 0.000 0.480 91 N N 5.675 123.746 118.700 -1.048 0.000 2.626 91 N HA 0.058 4.798 4.740 -0.001 0.000 0.242 91 N C -1.161 173.916 175.510 -0.721 0.000 1.005 91 N CA -0.581 51.713 53.050 -1.260 0.000 0.905 91 N CB 1.008 39.032 38.487 -0.771 0.000 1.128 91 N HN 0.663 nan 8.380 nan 0.000 0.512 92 D N 2.644 122.637 120.400 -0.678 0.000 2.371 92 D HA 0.098 4.738 4.640 -0.001 0.000 0.256 92 D C -2.080 174.274 176.300 0.089 0.000 1.193 92 D CA -0.857 52.998 54.000 -0.241 0.000 0.881 92 D CB 1.449 42.326 40.800 0.127 0.000 1.143 92 D HN 0.201 nan 8.370 nan 0.000 0.473 93 P HA 0.188 nan 4.420 nan 0.000 0.235 93 P C 0.036 177.536 177.300 0.333 0.000 1.765 93 P CA -0.013 63.121 63.100 0.057 0.000 1.034 93 P CB 0.181 31.793 31.700 -0.147 0.000 1.984 94 G N 0.339 109.500 108.800 0.603 0.000 2.911 94 G HA2 0.012 3.972 3.960 -0.001 0.000 0.686 94 G HA3 0.012 3.972 3.960 -0.001 0.000 0.686 94 G C -1.083 174.333 174.900 0.860 0.000 1.136 94 G CA -0.605 44.874 45.100 0.633 0.000 0.764 94 G HN 0.361 nan 8.290 nan 0.000 0.626 95 W N 2.354 123.985 121.300 0.553 0.000 4.489 95 W HA 0.287 4.947 4.660 -0.000 0.000 0.161 95 W C 0.957 177.658 176.519 0.304 0.000 3.472 95 W CA 0.903 58.540 57.345 0.486 0.000 1.144 95 W CB -0.792 29.025 29.460 0.595 0.000 2.110 95 W HN 0.518 nan 8.180 nan 0.000 0.358 96 I N 1.995 122.598 120.570 0.055 0.000 2.876 96 I HA 0.126 4.295 4.170 -0.001 0.000 0.264 96 I C 0.441 176.468 176.117 -0.151 0.000 1.204 96 I CA 1.111 62.274 61.300 -0.227 0.000 1.485 96 I CB -1.218 36.617 38.000 -0.276 0.000 1.103 96 I HN 0.107 nan 8.210 nan 0.000 0.446 97 Q N -0.116 119.454 119.800 -0.384 0.000 2.458 97 Q HA 0.379 4.719 4.340 -0.001 0.000 0.282 97 Q C 0.163 175.931 176.000 -0.387 0.000 1.106 97 Q CA -0.655 54.853 55.803 -0.491 0.000 0.814 97 Q CB 2.020 30.201 28.738 -0.929 0.000 1.425 97 Q HN 0.237 nan 8.270 nan 0.000 0.437 98 T N -2.151 112.273 114.554 -0.216 0.000 2.766 98 T HA 0.101 4.450 4.350 -0.001 0.000 0.295 98 T C 0.803 175.584 174.700 0.135 0.000 1.024 98 T CA -0.437 61.614 62.100 -0.081 0.000 1.018 98 T CB 0.295 69.144 68.868 -0.032 0.000 1.002 98 T HN 0.567 nan 8.240 nan 0.000 0.532 99 F N 1.223 121.240 119.950 0.111 0.000 2.063 99 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 99 F C 2.473 178.448 175.800 0.291 0.000 1.109 99 F CA 2.442 60.578 58.000 0.227 0.000 1.212 99 F CB -0.383 38.647 39.000 0.049 0.000 0.973 99 F HN 0.787 nan 8.300 nan 0.000 0.480 100 E N 0.339 120.747 120.200 0.347 0.000 2.106 100 E HA -0.176 4.174 4.350 -0.001 0.000 0.192 100 E C 2.019 178.664 176.600 0.075 0.000 0.984 100 E CA 1.721 58.265 56.400 0.240 0.000 0.806 100 E CB -0.278 29.561 29.700 0.233 0.000 0.750 100 E HN 0.618 nan 8.360 nan 0.000 0.458 101 E N -0.998 119.188 120.200 -0.024 0.000 2.051 101 E HA -0.197 4.153 4.350 -0.001 0.000 0.192 101 E C 1.857 178.262 176.600 -0.324 0.000 0.991 101 E CA 1.221 57.454 56.400 -0.278 0.000 0.799 101 E CB -0.262 29.349 29.700 -0.150 0.000 0.748 101 E HN 0.339 nan 8.360 nan 0.000 0.449 102 Y N -0.485 119.772 120.300 -0.072 0.000 2.181 102 Y HA -0.260 4.290 4.550 -0.001 0.000 0.288 102 Y C 2.216 178.050 175.900 -0.110 0.000 1.146 102 Y CA 1.256 59.297 58.100 -0.098 0.000 1.164 102 Y CB -0.780 37.707 38.460 0.044 0.000 0.982 102 Y HN 0.196 nan 8.280 nan 0.000 0.515 103 Y N 0.865 121.174 120.300 0.014 0.000 2.128 103 Y HA -0.284 4.265 4.550 -0.001 0.000 0.284 103 Y C 2.293 178.156 175.900 -0.062 0.000 1.154 103 Y CA 1.908 59.974 58.100 -0.056 0.000 1.149 103 Y CB -0.368 38.054 38.460 -0.064 0.000 0.976 103 Y HN 0.057 nan 8.280 nan 0.000 0.505 104 Q N -0.635 119.056 119.800 -0.181 0.000 2.119 104 Q HA -0.163 4.177 4.340 -0.001 0.000 0.201 104 Q C 2.103 178.064 176.000 -0.064 0.000 0.972 104 Q CA 2.161 57.834 55.803 -0.218 0.000 0.847 104 Q CB -0.550 28.093 28.738 -0.157 0.000 0.903 104 Q HN 0.779 nan 8.270 nan 0.000 0.433 105 H N -0.779 118.310 119.070 0.030 0.000 2.465 105 H HA 0.059 4.615 4.556 -0.001 0.000 0.289 105 H C 0.952 176.368 175.328 0.146 0.000 1.022 105 H CA 0.645 56.742 56.048 0.081 0.000 1.340 105 H CB 0.664 30.437 29.762 0.019 0.000 1.437 105 H HN 0.194 nan 8.280 nan 0.000 0.539 106 D N -1.009 119.497 120.400 0.176 0.000 3.165 106 D HA 0.012 4.651 4.640 -0.001 0.000 0.264 106 D C 1.746 178.108 176.300 0.102 0.000 1.363 106 D CA 0.552 54.642 54.000 0.150 0.000 1.166 106 D CB 0.005 40.795 40.800 -0.017 0.000 1.291 106 D HN 0.066 nan 8.370 nan 0.000 0.390 107 T N 2.528 117.061 114.554 -0.034 0.000 2.788 107 T HA -0.146 4.204 4.350 -0.001 0.000 0.268 107 T C 1.942 176.488 174.700 -0.257 0.000 1.044 107 T CA 1.481 63.523 62.100 -0.096 0.000 1.139 107 T CB -0.090 68.569 68.868 -0.349 0.000 0.867 107 T HN 0.246 nan 8.240 nan 0.000 0.454 108 K N 0.847 120.915 120.400 -0.554 0.000 2.147 108 K HA -0.162 4.157 4.320 -0.001 0.000 0.205 108 K C 1.951 178.311 176.600 -0.399 0.000 1.049 108 K CA 1.466 57.404 56.287 -0.582 0.000 0.936 108 K CB -0.393 31.543 32.500 -0.941 0.000 0.722 108 K HN 0.412 nan 8.250 nan 0.000 0.446 109 H N 0.971 119.973 119.070 -0.113 0.000 2.363 109 H HA 0.045 4.601 4.556 -0.001 0.000 0.301 109 H C 2.314 177.647 175.328 0.009 0.000 1.074 109 H CA 1.444 57.480 56.048 -0.020 0.000 1.354 109 H CB -0.169 29.604 29.762 0.019 0.000 1.397 109 H HN 0.191 nan 8.280 nan 0.000 0.516 110 I N 0.816 121.470 120.570 0.140 0.000 2.163 110 I HA -0.280 3.889 4.170 -0.001 0.000 0.243 110 I C 2.454 178.590 176.117 0.031 0.000 1.085 110 I CA 1.175 62.600 61.300 0.208 0.000 1.347 110 I CB -0.276 37.917 38.000 0.321 0.000 1.044 110 I HN 0.092 nan 8.210 nan 0.000 0.408 111 L N -0.526 120.499 121.223 -0.330 0.000 2.109 111 L HA -0.170 4.170 4.340 -0.001 0.000 0.207 111 L C 2.717 179.245 176.870 -0.569 0.000 1.086 111 L CA 1.114 55.517 54.840 -0.730 0.000 0.760 111 L CB -0.502 40.561 42.059 -1.660 0.000 0.910 111 L HN 0.227 nan 8.230 nan 0.000 0.437 112 S N 0.180 115.674 115.700 -0.343 0.000 2.368 112 S HA -0.146 4.323 4.470 -0.001 0.000 0.225 112 S C 1.805 176.373 174.600 -0.053 0.000 1.030 112 S CA 1.491 59.712 58.200 0.035 0.000 0.999 112 S CB -0.149 63.136 63.200 0.143 0.000 0.844 112 S HN 0.443 nan 8.310 nan 0.000 0.459 113 N N 1.573 120.232 118.700 -0.069 0.000 2.354 113 N HA 0.125 4.864 4.740 -0.001 0.000 0.179 113 N C 1.811 176.970 175.510 -0.585 0.000 1.021 113 N CA 1.064 53.997 53.050 -0.195 0.000 0.887 113 N CB -0.759 37.720 38.487 -0.013 0.000 0.974 113 N HN 0.487 nan 8.380 nan 0.000 0.437 114 A N 1.267 123.821 122.820 -0.444 0.000 1.877 114 A HA -0.106 4.214 4.320 -0.001 0.000 0.216 114 A C 2.198 179.510 177.584 -0.453 0.000 1.186 114 A CA 0.994 52.626 52.037 -0.676 0.000 0.620 114 A CB -0.743 18.134 19.000 -0.205 0.000 0.822 114 A HN 0.224 nan 8.150 nan 0.000 0.443 115 L N 0.127 121.223 121.223 -0.212 0.000 2.012 115 L HA -0.170 4.170 4.340 -0.001 0.000 0.210 115 L C 2.491 179.289 176.870 -0.120 0.000 1.073 115 L CA 2.619 57.408 54.840 -0.085 0.000 0.748 115 L CB -0.680 41.396 42.059 0.028 0.000 0.891 115 L HN 0.511 nan 8.230 nan 0.000 0.431 116 R N -1.776 118.623 120.500 -0.170 0.000 2.073 116 R HA -0.241 4.098 4.340 -0.001 0.000 0.234 116 R C 2.418 178.616 176.300 -0.169 0.000 1.134 116 R CA 1.918 57.933 56.100 -0.140 0.000 0.952 116 R CB -0.560 29.665 30.300 -0.125 0.000 0.850 116 R HN 0.554 nan 8.270 nan 0.000 0.433 117 H N 0.182 118.963 119.070 -0.481 0.000 2.357 117 H HA 0.005 4.560 4.556 -0.001 0.000 0.301 117 H C 2.054 177.165 175.328 -0.361 0.000 1.082 117 H CA 1.973 57.712 56.048 -0.516 0.000 1.342 117 H CB -0.013 29.137 29.762 -1.019 0.000 1.389 117 H HN 0.145 nan 8.280 nan 0.000 0.511 118 L N -0.694 120.350 121.223 -0.298 0.000 2.056 118 L HA -0.200 4.139 4.340 -0.001 0.000 0.207 118 L C 2.611 179.432 176.870 -0.083 0.000 1.078 118 L CA 1.468 56.215 54.840 -0.155 0.000 0.749 118 L CB -0.708 41.283 42.059 -0.112 0.000 0.901 118 L HN 0.495 nan 8.230 nan 0.000 0.433 119 H N 0.696 119.683 119.070 -0.138 0.000 2.319 119 H HA -0.225 4.331 4.556 -0.001 0.000 0.297 119 H C 1.307 176.571 175.328 -0.107 0.000 1.097 119 H CA 2.246 58.237 56.048 -0.094 0.000 1.285 119 H CB 0.164 29.879 29.762 -0.078 0.000 1.368 119 H HN 0.336 nan 8.280 nan 0.000 0.495 120 D N 0.103 120.440 120.400 -0.105 0.000 2.347 120 D HA -0.020 4.620 4.640 -0.001 0.000 0.213 120 D C -0.034 176.147 176.300 -0.198 0.000 0.985 120 D CA 0.516 54.420 54.000 -0.160 0.000 0.879 120 D CB -0.154 40.570 40.800 -0.127 0.000 0.919 120 D HN 0.407 nan 8.370 nan 0.000 0.526 121 N N 0.182 118.760 118.700 -0.203 0.000 2.762 121 N HA 0.180 4.920 4.740 -0.001 0.000 0.252 121 N C -2.208 173.264 175.510 -0.062 0.000 1.269 121 N CA -1.060 51.909 53.050 -0.135 0.000 0.799 121 N CB 2.184 40.566 38.487 -0.175 0.000 1.173 121 N HN -0.196 nan 8.380 nan 0.000 0.516 122 P HA -0.152 nan 4.420 nan 0.000 0.221 122 P C 0.687 178.005 177.300 0.029 0.000 1.145 122 P CA 1.148 64.232 63.100 -0.027 0.000 0.795 122 P CB 0.415 32.094 31.700 -0.034 0.000 0.775 123 E N -1.669 118.579 120.200 0.080 0.000 2.447 123 E HA 0.064 4.414 4.350 -0.001 0.000 0.195 123 E C 0.828 177.563 176.600 0.226 0.000 1.028 123 E CA 0.034 56.530 56.400 0.159 0.000 0.876 123 E CB -0.375 29.450 29.700 0.208 0.000 0.885 123 E HN 0.258 nan 8.360 nan 0.000 0.500 124 M N 1.572 121.243 119.600 0.118 0.000 2.243 124 M HA 0.096 4.576 4.480 -0.001 0.000 0.341 124 M C -0.311 175.979 176.300 -0.017 0.000 1.130 124 M CA 0.251 55.526 55.300 -0.041 0.000 1.162 124 M CB 0.474 33.051 32.600 -0.038 0.000 1.497 124 M HN -0.357 nan 8.290 nan 0.000 0.456 125 K N 3.090 123.443 120.400 -0.078 0.000 2.444 125 K HA 0.655 4.975 4.320 -0.001 0.000 0.252 125 K C -1.727 174.913 176.600 0.066 0.000 0.993 125 K CA -0.490 55.807 56.287 0.017 0.000 0.847 125 K CB 2.149 34.682 32.500 0.055 0.000 1.340 125 K HN 0.667 nan 8.250 nan 0.000 0.446 126 F N 1.403 121.271 119.950 -0.135 0.000 2.672 126 F HA 0.432 4.959 4.527 -0.001 0.000 0.311 126 F C -1.422 174.273 175.800 -0.174 0.000 1.113 126 F CA -1.284 56.622 58.000 -0.157 0.000 0.996 126 F CB 1.012 39.996 39.000 -0.027 0.000 1.286 126 F HN 0.455 nan 8.300 nan 0.000 0.441 127 I N 1.804 122.045 120.570 -0.549 0.000 2.648 127 I HA 0.607 4.776 4.170 -0.001 0.000 0.304 127 I C -1.702 173.990 176.117 -0.709 0.000 1.009 127 I CA -0.601 60.336 61.300 -0.605 0.000 1.114 127 I CB 2.503 40.095 38.000 -0.679 0.000 1.293 127 I HN 0.689 nan 8.210 nan 0.000 0.449 128 W N 4.524 125.430 121.300 -0.656 0.000 2.957 128 W HA 0.630 5.289 4.660 -0.001 0.000 0.336 128 W C -0.714 175.718 176.519 -0.146 0.000 1.087 128 W CA -0.535 56.553 57.345 -0.428 0.000 1.235 128 W CB 2.673 31.925 29.460 -0.347 0.000 1.399 128 W HN 0.794 nan 8.180 nan 0.000 0.480 129 A N 3.464 125.920 122.820 -0.606 0.000 1.984 129 A HA 0.155 4.475 4.320 -0.001 0.000 0.203 129 A C -0.025 177.519 177.584 -0.067 0.000 1.292 129 A CA 0.530 52.447 52.037 -0.199 0.000 0.782 129 A CB 0.004 18.942 19.000 -0.104 0.000 0.924 129 A HN 0.504 nan 8.150 nan 0.000 0.475 130 E N 0.956 121.015 120.200 -0.236 0.000 2.014 130 E HA 0.321 4.671 4.350 -0.001 0.000 0.275 130 E C 0.420 177.183 176.600 0.272 0.000 0.997 130 E CA -0.287 56.136 56.400 0.039 0.000 0.804 130 E CB 0.826 30.542 29.700 0.025 0.000 1.090 130 E HN 0.273 nan 8.360 nan 0.000 0.401 131 I N 1.528 122.155 120.570 0.094 0.000 2.676 131 I HA -0.190 3.980 4.170 -0.001 0.000 0.259 131 I C 1.949 177.728 176.117 -0.563 0.000 1.194 131 I CA 0.892 62.174 61.300 -0.029 0.000 1.473 131 I CB -1.330 36.704 38.000 0.057 0.000 1.096 131 I HN 0.418 nan 8.210 nan 0.000 0.443 132 S N 1.167 116.238 115.700 -1.048 0.000 2.365 132 S HA -0.266 4.203 4.470 -0.001 0.000 0.225 132 S C 2.138 176.446 174.600 -0.486 0.000 1.039 132 S CA 1.309 58.526 58.200 -1.638 0.000 1.033 132 S CB -1.024 61.263 63.200 -1.522 0.000 0.887 132 S HN 0.362 nan 8.310 nan 0.000 0.447 133 Y N 0.611 120.930 120.300 0.031 0.000 2.200 133 Y HA 0.131 4.681 4.550 -0.001 0.000 0.290 133 Y C 2.225 178.182 175.900 0.094 0.000 1.137 133 Y CA 0.403 58.614 58.100 0.186 0.000 1.163 133 Y CB -0.923 37.743 38.460 0.344 0.000 0.988 133 Y HN 0.331 nan 8.280 nan 0.000 0.518 134 F N 0.016 120.037 119.950 0.118 0.000 2.134 134 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 134 F C 2.350 177.977 175.800 -0.289 0.000 1.097 134 F CA 1.297 59.241 58.000 -0.093 0.000 1.264 134 F CB -0.484 38.453 39.000 -0.105 0.000 1.001 134 F HN -0.016 nan 8.300 nan 0.000 0.479 135 A N 0.215 122.688 122.820 -0.578 0.000 1.902 135 A HA -0.228 4.092 4.320 -0.001 0.000 0.217 135 A C 2.157 179.625 177.584 -0.193 0.000 1.181 135 A CA 1.806 53.336 52.037 -0.844 0.000 0.623 135 A CB -0.792 17.596 19.000 -1.020 0.000 0.818 135 A HN 0.397 nan 8.150 nan 0.000 0.443 136 R N -1.134 119.295 120.500 -0.119 0.000 2.091 136 R HA -0.156 4.183 4.340 -0.001 0.000 0.238 136 R C 1.750 177.997 176.300 -0.089 0.000 1.136 136 R CA 2.089 58.128 56.100 -0.103 0.000 0.959 136 R CB -0.775 29.404 30.300 -0.203 0.000 0.856 136 R HN 0.502 nan 8.270 nan 0.000 0.437 137 F N -0.450 119.413 119.950 -0.145 0.000 2.098 137 F HA -0.087 4.440 4.527 -0.001 0.000 0.294 137 F C 1.951 177.667 175.800 -0.141 0.000 1.107 137 F CA 1.501 59.472 58.000 -0.047 0.000 1.234 137 F CB -0.801 38.109 39.000 -0.150 0.000 1.002 137 F HN 0.108 nan 8.300 nan 0.000 0.472 138 Y N 0.320 120.395 120.300 -0.376 0.000 2.181 138 Y HA -0.273 4.277 4.550 -0.001 0.000 0.288 138 Y C 2.676 178.380 175.900 -0.327 0.000 1.146 138 Y CA 2.278 60.145 58.100 -0.388 0.000 1.164 138 Y CB -0.746 37.607 38.460 -0.179 0.000 0.982 138 Y HN 0.141 nan 8.280 nan 0.000 0.515 139 H N -0.757 118.309 119.070 -0.006 0.000 2.521 139 H HA -0.076 4.480 4.556 -0.001 0.000 0.286 139 H C 0.986 176.211 175.328 -0.172 0.000 1.034 139 H CA 1.449 57.457 56.048 -0.066 0.000 1.278 139 H CB -0.063 29.716 29.762 0.029 0.000 1.386 139 H HN 0.458 nan 8.280 nan 0.000 0.567 140 D N 0.030 120.344 120.400 -0.144 0.000 2.350 140 D HA 0.078 4.718 4.640 -0.001 0.000 0.213 140 D C 0.605 176.728 176.300 -0.294 0.000 1.031 140 D CA 0.045 53.941 54.000 -0.173 0.000 0.861 140 D CB 0.354 41.086 40.800 -0.114 0.000 0.926 140 D HN 0.188 nan 8.370 nan 0.000 0.520 141 L N 0.666 121.616 121.223 -0.454 0.000 2.397 141 L HA 0.314 4.653 4.340 -0.001 0.000 0.271 141 L C 1.388 178.074 176.870 -0.307 0.000 1.148 141 L CA -0.601 53.967 54.840 -0.453 0.000 0.825 141 L CB 0.905 42.616 42.059 -0.579 0.000 1.117 141 L HN -0.022 nan 8.230 nan 0.000 0.456 142 G N 0.925 109.593 108.800 -0.220 0.000 2.636 142 G HA2 0.002 3.962 3.960 -0.001 0.000 0.246 142 G HA3 0.002 3.962 3.960 -0.001 0.000 0.246 142 G C 0.663 175.471 174.900 -0.154 0.000 1.216 142 G CA -0.276 44.732 45.100 -0.153 0.000 0.854 142 G HN 0.806 nan 8.290 nan 0.000 0.572 143 E N 0.213 120.351 120.200 -0.103 0.000 2.085 143 E HA -0.202 4.148 4.350 -0.001 0.000 0.194 143 E C 2.212 178.778 176.600 -0.057 0.000 0.994 143 E CA 1.547 57.902 56.400 -0.075 0.000 0.801 143 E CB -0.149 29.531 29.700 -0.034 0.000 0.743 143 E HN 0.593 nan 8.360 nan 0.000 0.453 144 N N 0.152 118.819 118.700 -0.054 0.000 2.069 144 N HA -0.196 4.543 4.740 -0.001 0.000 0.191 144 N C 1.439 176.919 175.510 -0.050 0.000 1.031 144 N CA 1.383 54.408 53.050 -0.043 0.000 0.852 144 N CB 0.015 38.475 38.487 -0.046 0.000 1.018 144 N HN 0.055 nan 8.380 nan 0.000 0.423 145 K N 1.187 121.538 120.400 -0.081 0.000 2.103 145 K HA -0.031 4.288 4.320 -0.001 0.000 0.204 145 K C 2.027 178.597 176.600 -0.050 0.000 1.052 145 K CA 0.607 56.847 56.287 -0.078 0.000 0.945 145 K CB -0.172 32.262 32.500 -0.111 0.000 0.722 145 K HN 0.321 nan 8.250 nan 0.000 0.443 146 K N 0.902 121.234 120.400 -0.114 0.000 2.032 146 K HA -0.094 4.225 4.320 -0.001 0.000 0.209 146 K C 2.282 178.955 176.600 0.121 0.000 1.048 146 K CA 1.156 57.400 56.287 -0.073 0.000 0.927 146 K CB -0.247 32.115 32.500 -0.230 0.000 0.712 146 K HN 0.049 nan 8.250 nan 0.000 0.441 147 L N 1.080 122.346 121.223 0.070 0.000 2.046 147 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 147 L C 2.602 179.535 176.870 0.106 0.000 1.077 147 L CA 1.343 56.239 54.840 0.094 0.000 0.747 147 L CB -0.430 41.663 42.059 0.057 0.000 0.896 147 L HN 0.268 nan 8.230 nan 0.000 0.432 148 Q N -0.884 118.962 119.800 0.076 0.000 2.084 148 Q HA -0.266 4.073 4.340 -0.001 0.000 0.202 148 Q C 2.216 178.302 176.000 0.144 0.000 0.978 148 Q CA 1.715 57.572 55.803 0.090 0.000 0.844 148 Q CB -0.195 28.543 28.738 -0.000 0.000 0.898 148 Q HN 0.374 nan 8.270 nan 0.000 0.426 149 M N 1.147 120.857 119.600 0.183 0.000 2.086 149 M HA -0.150 4.330 4.480 -0.001 0.000 0.261 149 M C 1.628 178.104 176.300 0.294 0.000 1.067 149 M CA 1.744 57.213 55.300 0.283 0.000 1.116 149 M CB 0.032 32.881 32.600 0.415 0.000 1.348 149 M HN -0.098 nan 8.290 nan 0.000 0.407 150 K N -1.060 119.510 120.400 0.283 0.000 2.152 150 K HA -0.140 4.180 4.320 -0.001 0.000 0.206 150 K C 2.276 178.972 176.600 0.159 0.000 1.048 150 K CA 1.566 57.990 56.287 0.229 0.000 0.933 150 K CB -0.414 32.207 32.500 0.203 0.000 0.721 150 K HN 0.405 nan 8.250 nan 0.000 0.447 151 S N 1.475 117.260 115.700 0.140 0.000 2.371 151 S HA -0.075 4.394 4.470 -0.001 0.000 0.224 151 S C 1.942 176.597 174.600 0.091 0.000 1.029 151 S CA 0.946 59.209 58.200 0.104 0.000 0.978 151 S CB -0.200 63.061 63.200 0.102 0.000 0.833 151 S HN 0.392 nan 8.310 nan 0.000 0.466 152 I N -0.825 119.810 120.570 0.107 0.000 2.830 152 I HA 0.052 4.222 4.170 -0.001 0.000 0.263 152 I C 1.806 177.957 176.117 0.057 0.000 1.230 152 I CA 0.676 62.022 61.300 0.075 0.000 1.480 152 I CB -0.331 37.714 38.000 0.076 0.000 1.095 152 I HN 0.090 nan 8.210 nan 0.000 0.455 153 V N 1.546 121.512 119.914 0.088 0.000 2.346 153 V HA -0.184 3.936 4.120 -0.001 0.000 0.244 153 V C 2.697 178.827 176.094 0.060 0.000 1.037 153 V CA 1.995 64.337 62.300 0.071 0.000 1.029 153 V CB -0.713 31.213 31.823 0.172 0.000 0.663 153 V HN 0.424 nan 8.190 nan 0.000 0.454 154 K N 1.468 121.910 120.400 0.071 0.000 2.097 154 K HA -0.223 4.096 4.320 -0.001 0.000 0.206 154 K C 1.778 178.395 176.600 0.029 0.000 1.049 154 K CA 1.839 58.155 56.287 0.049 0.000 0.933 154 K CB -0.206 32.325 32.500 0.051 0.000 0.717 154 K HN 0.662 nan 8.250 nan 0.000 0.442 155 N N -0.547 118.170 118.700 0.028 0.000 2.461 155 N HA -0.005 4.734 4.740 -0.001 0.000 0.188 155 N C 0.837 176.350 175.510 0.006 0.000 1.134 155 N CA 1.092 54.152 53.050 0.015 0.000 0.878 155 N CB 0.411 38.907 38.487 0.015 0.000 0.972 155 N HN 0.323 nan 8.380 nan 0.000 0.456 156 G N -0.149 108.651 108.800 0.001 0.000 2.159 156 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.256 156 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.256 156 G C 0.773 175.660 174.900 -0.021 0.000 0.977 156 G CA 0.495 45.586 45.100 -0.016 0.000 0.652 156 G HN 0.464 nan 8.290 nan 0.000 0.531 157 Q N -1.325 118.470 119.800 -0.008 0.000 2.096 157 Q HA 0.215 4.555 4.340 -0.001 0.000 0.197 157 Q C 1.208 177.203 176.000 -0.009 0.000 0.964 157 Q CA 1.048 56.851 55.803 0.001 0.000 0.838 157 Q CB 0.202 28.946 28.738 0.009 0.000 0.906 157 Q HN 0.591 nan 8.270 nan 0.000 0.444 158 L N 1.179 122.377 121.223 -0.040 0.000 2.272 158 L HA 0.299 4.639 4.340 -0.001 0.000 0.289 158 L C -0.961 175.742 176.870 -0.280 0.000 1.032 158 L CA -0.067 54.701 54.840 -0.119 0.000 0.810 158 L CB 1.474 43.471 42.059 -0.102 0.000 1.205 158 L HN -0.076 nan 8.230 nan 0.000 0.422 159 E N 4.245 124.238 120.200 -0.345 0.000 2.199 159 E HA 0.358 4.708 4.350 -0.001 0.000 0.265 159 E C -1.467 174.867 176.600 -0.444 0.000 0.882 159 E CA -0.746 55.457 56.400 -0.330 0.000 0.759 159 E CB 0.980 30.563 29.700 -0.194 0.000 1.148 159 E HN 0.506 nan 8.360 nan 0.000 0.412 160 F N 3.216 123.116 119.950 -0.084 0.000 2.427 160 F HA 0.209 4.736 4.527 -0.001 0.000 0.352 160 F C 0.318 176.083 175.800 -0.058 0.000 1.100 160 F CA -0.500 57.463 58.000 -0.062 0.000 1.191 160 F CB 1.167 40.142 39.000 -0.042 0.000 1.128 160 F HN 0.176 nan 8.300 nan 0.000 0.533 161 V N 0.092 120.062 119.914 0.093 0.000 2.495 161 V HA 0.647 4.766 4.120 -0.001 0.000 0.298 161 V C 0.244 176.459 176.094 0.202 0.000 1.031 161 V CA -0.489 61.859 62.300 0.080 0.000 0.871 161 V CB 0.902 32.655 31.823 -0.117 0.000 0.988 161 V HN 0.981 nan 8.190 nan 0.000 0.432 162 T N 3.264 118.012 114.554 0.323 0.000 12.940 162 T HA -0.307 4.043 4.350 -0.001 0.000 0.419 162 T C 1.748 176.673 174.700 0.375 0.000 1.444 162 T CA 2.802 65.142 62.100 0.400 0.000 2.373 162 T CB -1.698 67.311 68.868 0.237 0.000 2.821 162 T HN 2.782 nan 8.240 nan 0.000 0.696 163 G N 1.963 110.923 108.800 0.267 0.000 2.147 163 G HA2 0.108 4.068 3.960 -0.001 0.000 0.244 163 G HA3 0.108 4.068 3.960 -0.001 0.000 0.244 163 G C 0.316 175.356 174.900 0.233 0.000 1.005 163 G CA 0.588 45.822 45.100 0.223 0.000 0.713 163 G HN 1.572 nan 8.290 nan 0.000 0.515 164 G N -1.648 107.290 108.800 0.229 0.000 2.572 164 G HA2 0.355 4.315 3.960 -0.001 0.000 0.261 164 G HA3 0.355 4.315 3.960 -0.001 0.000 0.261 164 G C 0.996 176.071 174.900 0.292 0.000 1.197 164 G CA 0.182 45.428 45.100 0.244 0.000 0.870 164 G HN 0.341 nan 8.290 nan 0.000 0.548 165 W N 0.378 121.726 121.300 0.080 0.000 2.342 165 W HA -0.048 4.611 4.660 -0.001 0.000 0.297 165 W C 0.722 177.277 176.519 0.061 0.000 1.213 165 W CA 1.932 59.311 57.345 0.056 0.000 1.251 165 W CB 0.235 29.711 29.460 0.027 0.000 1.136 165 W HN 0.407 nan 8.180 nan 0.000 0.526 166 V N -2.779 117.258 119.914 0.205 0.000 3.156 166 V HA 0.493 4.613 4.120 -0.001 0.000 0.310 166 V C -0.450 175.735 176.094 0.152 0.000 1.234 166 V CA -1.283 61.087 62.300 0.118 0.000 1.065 166 V CB 1.743 33.655 31.823 0.149 0.000 1.088 166 V HN -0.054 nan 8.190 nan 0.000 0.451 167 M N 3.974 123.691 119.600 0.196 0.000 2.152 167 M HA 0.507 4.987 4.480 -0.001 0.000 0.354 167 M C -2.680 173.779 176.300 0.266 0.000 1.173 167 M CA -1.869 53.564 55.300 0.222 0.000 1.110 167 M CB 1.321 34.075 32.600 0.256 0.000 1.366 167 M HN 0.641 nan 8.290 nan 0.000 0.415 168 P HA 0.132 nan 4.420 nan 0.000 0.276 168 P C -0.947 176.363 177.300 0.017 0.000 1.244 168 P CA -0.211 62.941 63.100 0.087 0.000 0.801 168 P CB 0.566 32.305 31.700 0.065 0.000 1.006 169 D N 0.683 121.053 120.400 -0.050 0.000 2.478 169 D HA -0.087 4.553 4.640 -0.001 0.000 0.234 169 D C 0.732 177.044 176.300 0.020 0.000 1.154 169 D CA 0.743 54.696 54.000 -0.078 0.000 0.874 169 D CB 0.446 41.210 40.800 -0.059 0.000 1.198 169 D HN 0.308 nan 8.370 nan 0.000 0.455 170 E N 1.531 121.787 120.200 0.093 0.000 2.511 170 E HA 0.177 4.527 4.350 -0.001 0.000 0.209 170 E C 0.940 177.711 176.600 0.285 0.000 0.986 170 E CA 0.067 56.588 56.400 0.202 0.000 0.974 170 E CB 0.634 30.473 29.700 0.232 0.000 1.030 170 E HN 0.476 nan 8.360 nan 0.000 0.490 171 A N 1.494 124.432 122.820 0.197 0.000 1.901 171 A HA 0.018 4.337 4.320 -0.001 0.000 0.210 171 A C 1.828 179.298 177.584 -0.189 0.000 1.208 171 A CA 0.603 52.532 52.037 -0.180 0.000 0.644 171 A CB 0.036 18.910 19.000 -0.210 0.000 0.863 171 A HN 0.032 nan 8.150 nan 0.000 0.454 172 N N 0.625 119.302 118.700 -0.038 0.000 2.356 172 N HA 0.011 4.751 4.740 -0.001 0.000 0.178 172 N C 0.431 175.930 175.510 -0.017 0.000 1.075 172 N CA 0.753 53.777 53.050 -0.043 0.000 0.889 172 N CB 0.054 38.559 38.487 0.030 0.000 0.999 172 N HN 0.493 nan 8.380 nan 0.000 0.464 173 S N 0.849 116.549 115.700 0.001 0.000 2.549 173 S HA 0.026 4.495 4.470 -0.001 0.000 0.283 173 S C 0.045 174.662 174.600 0.028 0.000 1.320 173 S CA -0.539 57.674 58.200 0.021 0.000 1.058 173 S CB 1.060 64.275 63.200 0.026 0.000 0.882 173 S HN 0.206 nan 8.310 nan 0.000 0.498 174 H N 3.472 122.520 119.070 -0.036 0.000 2.582 174 H HA 0.037 4.593 4.556 -0.001 0.000 0.345 174 H C 1.268 176.569 175.328 -0.044 0.000 1.104 174 H CA -0.212 55.802 56.048 -0.058 0.000 1.390 174 H CB 0.521 30.199 29.762 -0.140 0.000 1.461 174 H HN 1.030 nan 8.280 nan 0.000 0.551 175 W N 5.811 127.015 121.300 -0.160 0.000 2.331 175 W HA -0.181 4.478 4.660 -0.000 0.000 0.291 175 W C 1.105 177.688 176.519 0.106 0.000 1.214 175 W CA 0.443 57.767 57.345 -0.035 0.000 1.228 175 W CB -0.497 28.881 29.460 -0.137 0.000 1.135 175 W HN 0.536 nan 8.180 nan 0.000 0.537 176 R N 0.802 120.943 120.500 -0.598 0.000 2.096 176 R HA -0.138 4.202 4.340 -0.001 0.000 0.235 176 R C 2.012 178.152 176.300 -0.267 0.000 1.127 176 R CA 1.918 57.571 56.100 -0.744 0.000 0.968 176 R CB -0.415 29.386 30.300 -0.831 0.000 0.861 176 R HN 0.162 nan 8.270 nan 0.000 0.440 177 N N -0.214 118.411 118.700 -0.126 0.000 2.376 177 N HA -0.052 4.687 4.740 -0.001 0.000 0.177 177 N C 1.742 177.256 175.510 0.005 0.000 1.024 177 N CA 0.699 53.716 53.050 -0.054 0.000 0.893 177 N CB -0.007 38.466 38.487 -0.023 0.000 0.980 177 N HN -0.003 nan 8.380 nan 0.000 0.439 178 V N 1.562 121.502 119.914 0.044 0.000 2.295 178 V HA -0.186 3.934 4.120 -0.001 0.000 0.246 178 V C 2.357 178.494 176.094 0.072 0.000 1.049 178 V CA 1.143 63.486 62.300 0.073 0.000 1.024 178 V CB -0.520 31.364 31.823 0.103 0.000 0.648 178 V HN 0.192 nan 8.190 nan 0.000 0.447 179 L N -0.310 120.965 121.223 0.085 0.000 2.046 179 L HA -0.117 4.223 4.340 -0.001 0.000 0.208 179 L C 2.188 179.068 176.870 0.017 0.000 1.077 179 L CA 1.807 56.690 54.840 0.072 0.000 0.747 179 L CB -0.708 41.426 42.059 0.126 0.000 0.896 179 L HN 0.280 nan 8.230 nan 0.000 0.432 180 L N -0.059 121.153 121.223 -0.019 0.000 1.989 180 L HA -0.265 4.075 4.340 -0.001 0.000 0.211 180 L C 2.602 179.463 176.870 -0.016 0.000 1.071 180 L CA 2.410 57.228 54.840 -0.037 0.000 0.749 180 L CB -0.785 41.233 42.059 -0.068 0.000 0.890 180 L HN 0.689 nan 8.230 nan 0.000 0.431 181 Q N -1.053 118.760 119.800 0.022 0.000 2.172 181 Q HA -0.190 4.150 4.340 -0.001 0.000 0.200 181 Q C 2.032 178.115 176.000 0.139 0.000 0.964 181 Q CA 1.993 57.844 55.803 0.079 0.000 0.855 181 Q CB -1.159 27.662 28.738 0.138 0.000 0.918 181 Q HN 0.467 nan 8.270 nan 0.000 0.444 182 L N 0.882 122.172 121.223 0.111 0.000 2.046 182 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 182 L C 1.934 178.884 176.870 0.133 0.000 1.077 182 L CA 2.473 57.392 54.840 0.131 0.000 0.747 182 L CB -0.990 41.123 42.059 0.091 0.000 0.896 182 L HN 0.345 nan 8.230 nan 0.000 0.432 183 T N -1.071 113.530 114.554 0.078 0.000 2.821 183 T HA -0.176 4.173 4.350 -0.001 0.000 0.267 183 T C 1.723 176.475 174.700 0.087 0.000 1.046 183 T CA 1.389 63.528 62.100 0.065 0.000 1.139 183 T CB -0.163 68.714 68.868 0.015 0.000 0.871 183 T HN 0.328 nan 8.240 nan 0.000 0.454 184 E N 1.017 121.243 120.200 0.044 0.000 2.051 184 E HA -0.046 4.303 4.350 -0.001 0.000 0.192 184 E C 2.348 179.073 176.600 0.209 0.000 0.991 184 E CA 1.544 57.927 56.400 -0.029 0.000 0.799 184 E CB -0.860 28.632 29.700 -0.345 0.000 0.748 184 E HN 0.445 nan 8.360 nan 0.000 0.449 185 G N -0.106 108.915 108.800 0.368 0.000 2.402 185 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.216 185 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.216 185 G C 1.495 176.612 174.900 0.361 0.000 1.162 185 G CA 0.697 46.093 45.100 0.494 0.000 0.777 185 G HN 0.264 nan 8.290 nan 0.000 0.539 186 Q N -0.178 119.771 119.800 0.249 0.000 2.172 186 Q HA -0.059 4.280 4.340 -0.001 0.000 0.200 186 Q C 2.821 178.915 176.000 0.157 0.000 0.964 186 Q CA 1.444 57.354 55.803 0.178 0.000 0.855 186 Q CB -0.226 28.600 28.738 0.147 0.000 0.918 186 Q HN 0.415 nan 8.270 nan 0.000 0.444 187 T N 0.238 114.895 114.554 0.172 0.000 2.746 187 T HA -0.194 4.156 4.350 -0.001 0.000 0.267 187 T C 1.093 175.890 174.700 0.161 0.000 1.039 187 T CA 1.142 63.321 62.100 0.132 0.000 1.142 187 T CB -0.390 68.551 68.868 0.122 0.000 0.866 187 T HN 0.472 nan 8.240 nan 0.000 0.444 188 W N 1.570 122.966 121.300 0.160 0.000 2.335 188 W HA -0.053 4.606 4.660 -0.001 0.000 0.311 188 W C 1.821 178.451 176.519 0.184 0.000 1.213 188 W CA 0.951 58.467 57.345 0.284 0.000 1.274 188 W CB -0.446 29.251 29.460 0.395 0.000 1.148 188 W HN 0.145 nan 8.180 nan 0.000 0.498 189 L N 0.573 121.994 121.223 0.329 0.000 2.046 189 L HA -0.239 4.101 4.340 -0.001 0.000 0.208 189 L C 2.610 179.405 176.870 -0.125 0.000 1.077 189 L CA 1.842 56.706 54.840 0.039 0.000 0.747 189 L CB -0.927 41.102 42.059 -0.051 0.000 0.896 189 L HN -0.010 nan 8.230 nan 0.000 0.432 190 K N 0.039 120.387 120.400 -0.086 0.000 2.026 190 K HA -0.262 4.057 4.320 -0.001 0.000 0.208 190 K C 2.192 178.651 176.600 -0.235 0.000 1.048 190 K CA 1.620 57.833 56.287 -0.123 0.000 0.929 190 K CB -0.040 32.415 32.500 -0.074 0.000 0.713 190 K HN 0.250 nan 8.250 nan 0.000 0.439 191 Q N -0.808 118.778 119.800 -0.357 0.000 2.050 191 Q HA -0.151 4.189 4.340 -0.001 0.000 0.202 191 Q C 1.512 177.017 176.000 -0.825 0.000 0.980 191 Q CA 1.807 57.232 55.803 -0.629 0.000 0.840 191 Q CB 0.031 28.253 28.738 -0.859 0.000 0.898 191 Q HN 0.317 nan 8.270 nan 0.000 0.424 192 F N -1.474 118.097 119.950 -0.633 0.000 2.582 192 F HA 0.111 4.637 4.527 -0.001 0.000 0.290 192 F C 1.641 177.141 175.800 -0.500 0.000 1.115 192 F CA 0.255 57.815 58.000 -0.733 0.000 1.445 192 F CB 0.380 38.479 39.000 -1.501 0.000 1.126 192 F HN 0.106 nan 8.300 nan 0.000 0.574 193 M N -1.003 118.442 119.600 -0.259 0.000 2.308 193 M HA 0.228 4.708 4.480 -0.001 0.000 0.269 193 M C 0.331 176.607 176.300 -0.040 0.000 1.040 193 M CA 0.143 55.396 55.300 -0.078 0.000 1.024 193 M CB -1.145 31.439 32.600 -0.027 0.000 1.465 193 M HN 0.098 nan 8.290 nan 0.000 0.517 194 N N 1.867 120.509 118.700 -0.096 0.000 2.740 194 N HA -0.132 4.608 4.740 -0.001 0.000 0.248 194 N C -0.937 174.552 175.510 -0.034 0.000 1.062 194 N CA 0.760 53.770 53.050 -0.068 0.000 0.704 194 N CB -0.938 37.523 38.487 -0.045 0.000 0.968 194 N HN 0.374 nan 8.380 nan 0.000 0.547 195 V N -3.949 115.946 119.914 -0.032 0.000 3.049 195 V HA 0.885 5.004 4.120 -0.001 0.000 0.309 195 V C 0.010 176.087 176.094 -0.028 0.000 1.148 195 V CA -0.443 61.852 62.300 -0.007 0.000 0.990 195 V CB 2.374 34.237 31.823 0.066 0.000 1.039 195 V HN 0.056 nan 8.190 nan 0.000 0.430 196 T N 3.874 118.403 114.554 -0.042 0.000 2.930 196 T HA 0.566 4.915 4.350 -0.001 0.000 0.313 196 T C -2.747 171.870 174.700 -0.139 0.000 1.019 196 T CA -0.738 61.318 62.100 -0.073 0.000 1.004 196 T CB 1.301 70.117 68.868 -0.086 0.000 0.987 196 T HN 0.775 nan 8.240 nan 0.000 0.456 197 P HA 0.167 nan 4.420 nan 0.000 0.266 197 P C 0.866 177.781 177.300 -0.641 0.000 1.195 197 P CA -0.152 62.827 63.100 -0.202 0.000 0.768 197 P CB 0.531 32.225 31.700 -0.010 0.000 0.838 198 T N -1.826 112.406 114.554 -0.537 0.000 3.040 198 T HA 0.536 4.886 4.350 -0.001 0.000 0.266 198 T C 0.348 174.866 174.700 -0.302 0.000 1.005 198 T CA -0.266 61.400 62.100 -0.724 0.000 0.906 198 T CB 0.133 68.784 68.868 -0.362 0.000 1.082 198 T HN 0.417 nan 8.240 nan 0.000 0.531 199 A N 0.856 123.654 122.820 -0.036 0.000 2.355 199 A HA 0.800 5.120 4.320 -0.001 0.000 0.317 199 A C -0.162 177.682 177.584 0.433 0.000 1.094 199 A CA -0.698 51.469 52.037 0.216 0.000 0.764 199 A CB 1.810 20.950 19.000 0.233 0.000 1.230 199 A HN 0.260 nan 8.150 nan 0.000 0.448 200 S N 2.078 118.024 115.700 0.409 0.000 2.549 200 S HA 0.681 5.151 4.470 -0.001 0.000 0.297 200 S C -1.147 173.643 174.600 0.317 0.000 1.115 200 S CA -0.434 57.950 58.200 0.307 0.000 1.059 200 S CB 0.762 63.977 63.200 0.026 0.000 1.046 200 S HN 0.800 nan 8.310 nan 0.000 0.506 201 W N 4.495 125.813 121.300 0.029 0.000 2.587 201 W HA 0.633 5.292 4.660 -0.001 0.000 0.324 201 W C -1.509 174.963 176.519 -0.079 0.000 1.008 201 W CA -0.831 56.485 57.345 -0.048 0.000 1.265 201 W CB 1.176 30.581 29.460 -0.092 0.000 1.328 201 W HN 0.783 nan 8.180 nan 0.000 0.432 202 A N 7.918 130.592 122.820 -0.244 0.000 2.893 202 A HA 0.294 4.614 4.320 -0.001 0.000 0.333 202 A C 0.267 177.607 177.584 -0.406 0.000 1.152 202 A CA -0.475 51.421 52.037 -0.234 0.000 0.782 202 A CB -0.290 18.691 19.000 -0.032 0.000 1.108 202 A HN 0.711 nan 8.150 nan 0.000 0.469 203 I N -2.589 117.568 120.570 -0.688 0.000 3.427 203 I HA 0.272 4.441 4.170 -0.001 0.000 0.288 203 I C 0.844 176.647 176.117 -0.523 0.000 1.249 203 I CA 0.855 61.706 61.300 -0.747 0.000 1.421 203 I CB 0.414 37.708 38.000 -1.177 0.000 1.086 203 I HN 0.330 nan 8.210 nan 0.000 0.448 204 D N 0.455 120.500 120.400 -0.593 0.000 2.479 204 D HA 0.250 4.889 4.640 -0.001 0.000 0.221 204 D C -2.129 173.788 176.300 -0.638 0.000 1.104 204 D CA -0.720 52.946 54.000 -0.556 0.000 0.849 204 D CB 0.012 40.414 40.800 -0.664 0.000 1.072 204 D HN 0.191 nan 8.370 nan 0.000 0.502 205 P HA 0.037 nan 4.420 nan 0.000 0.268 205 P C -0.527 176.351 177.300 -0.703 0.000 1.208 205 P CA 0.059 62.665 63.100 -0.824 0.000 0.777 205 P CB 0.198 31.568 31.700 -0.549 0.000 0.875 206 F N 1.844 121.563 119.950 -0.384 0.000 2.541 206 F HA 0.550 5.076 4.527 -0.001 0.000 0.351 206 F C 1.399 177.124 175.800 -0.125 0.000 1.209 206 F CA -0.697 57.037 58.000 -0.444 0.000 1.277 206 F CB -1.068 37.795 39.000 -0.228 0.000 1.632 206 F HN 0.508 nan 8.300 nan 0.000 0.619 207 G N 1.231 109.765 108.800 -0.443 0.000 2.662 207 G HA2 -0.072 3.888 3.960 -0.001 0.000 0.686 207 G HA3 -0.072 3.888 3.960 -0.001 0.000 0.686 207 G C -1.495 173.029 174.900 -0.627 0.000 1.271 207 G CA -1.163 43.760 45.100 -0.295 0.000 0.816 207 G HN 0.610 nan 8.290 nan 0.000 0.608 208 H N -0.545 118.224 119.070 -0.501 0.000 2.717 208 H HA 0.736 5.291 4.556 -0.001 0.000 0.366 208 H C -0.374 174.847 175.328 -0.180 0.000 1.132 208 H CA 0.027 55.974 56.048 -0.169 0.000 1.180 208 H CB 2.030 31.841 29.762 0.082 0.000 1.678 208 H HN 0.678 nan 8.280 nan 0.000 0.537 209 S N 2.528 118.371 115.700 0.237 0.000 2.501 209 S HA 0.256 4.725 4.470 -0.001 0.000 0.301 209 S C -1.759 172.874 174.600 0.054 0.000 1.096 209 S CA -1.808 56.542 58.200 0.249 0.000 1.063 209 S CB 1.304 64.691 63.200 0.311 0.000 1.042 209 S HN 0.445 nan 8.310 nan 0.000 0.494 210 P HA 0.002 nan 4.420 nan 0.000 0.234 210 P C 1.090 178.139 177.300 -0.418 0.000 1.167 210 P CA 0.777 63.497 63.100 -0.633 0.000 0.763 210 P CB -0.278 31.204 31.700 -0.362 0.000 0.835 211 T N -0.413 114.027 114.554 -0.189 0.000 2.803 211 T HA -0.148 4.201 4.350 -0.001 0.000 0.269 211 T C 1.740 176.390 174.700 -0.083 0.000 1.052 211 T CA 1.346 63.373 62.100 -0.121 0.000 1.136 211 T CB -0.487 68.347 68.868 -0.056 0.000 0.864 211 T HN 0.030 nan 8.240 nan 0.000 0.467 212 M N 1.848 121.361 119.600 -0.145 0.000 2.059 212 M HA 0.008 4.488 4.480 -0.001 0.000 0.259 212 M C -1.054 175.109 176.300 -0.229 0.000 1.072 212 M CA 1.376 56.588 55.300 -0.147 0.000 1.117 212 M CB -1.092 31.448 32.600 -0.099 0.000 1.320 212 M HN 0.029 nan 8.290 nan 0.000 0.408 213 P HA -0.206 nan 4.420 nan 0.000 0.218 213 P C 1.438 178.612 177.300 -0.210 0.000 1.148 213 P CA 1.456 64.362 63.100 -0.324 0.000 0.822 213 P CB -0.536 30.870 31.700 -0.490 0.000 0.784 214 Y N 1.079 121.192 120.300 -0.311 0.000 2.097 214 Y HA -0.216 4.333 4.550 -0.001 0.000 0.282 214 Y C 2.416 178.230 175.900 -0.143 0.000 1.152 214 Y CA 1.737 59.716 58.100 -0.202 0.000 1.136 214 Y CB -0.964 37.392 38.460 -0.175 0.000 0.975 214 Y HN -0.232 nan 8.280 nan 0.000 0.498 215 I N -0.459 120.129 120.570 0.030 0.000 2.202 215 I HA -0.310 3.860 4.170 -0.001 0.000 0.242 215 I C 2.301 178.348 176.117 -0.118 0.000 1.091 215 I CA 1.195 62.481 61.300 -0.023 0.000 1.368 215 I CB -0.447 37.598 38.000 0.075 0.000 1.058 215 I HN 0.261 nan 8.210 nan 0.000 0.410 216 L N 0.124 121.227 121.223 -0.199 0.000 2.017 216 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 216 L C 2.712 179.561 176.870 -0.035 0.000 1.073 216 L CA 1.300 55.956 54.840 -0.308 0.000 0.745 216 L CB -0.745 40.944 42.059 -0.617 0.000 0.894 216 L HN 0.353 nan 8.230 nan 0.000 0.432 217 Q N 1.069 120.818 119.800 -0.086 0.000 2.170 217 Q HA -0.203 4.137 4.340 -0.001 0.000 0.203 217 Q C 1.723 177.682 176.000 -0.069 0.000 0.976 217 Q CA 1.526 57.299 55.803 -0.051 0.000 0.858 217 Q CB 0.098 28.777 28.738 -0.099 0.000 0.907 217 Q HN 0.474 nan 8.270 nan 0.000 0.433 218 K N -0.499 119.821 120.400 -0.134 0.000 2.444 218 K HA 0.104 4.424 4.320 -0.001 0.000 0.193 218 K C 0.707 177.271 176.600 -0.060 0.000 1.024 218 K CA 0.156 56.360 56.287 -0.139 0.000 1.077 218 K CB 0.507 32.855 32.500 -0.255 0.000 0.833 218 K HN -0.067 nan 8.250 nan 0.000 0.517 219 S N -0.270 115.448 115.700 0.029 0.000 2.754 219 S HA 0.206 4.676 4.470 -0.001 0.000 0.247 219 S C 0.775 175.475 174.600 0.167 0.000 1.031 219 S CA 0.105 58.370 58.200 0.108 0.000 1.014 219 S CB 1.301 64.603 63.200 0.171 0.000 0.918 219 S HN 0.520 nan 8.310 nan 0.000 0.519 220 G N 1.202 110.055 108.800 0.088 0.000 2.175 220 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.244 220 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.244 220 G C -0.023 174.854 174.900 -0.038 0.000 0.982 220 G CA -0.461 44.634 45.100 -0.008 0.000 0.641 220 G HN 0.432 nan 8.290 nan 0.000 0.527 221 F N 0.707 120.616 119.950 -0.068 0.000 2.450 221 F HA 0.536 5.063 4.527 -0.001 0.000 0.339 221 F C 1.711 177.452 175.800 -0.099 0.000 1.146 221 F CA 0.427 58.382 58.000 -0.075 0.000 1.267 221 F CB 0.992 39.951 39.000 -0.068 0.000 1.178 221 F HN -0.048 nan 8.300 nan 0.000 0.585 222 K N 0.518 120.933 120.400 0.026 0.000 2.425 222 K HA 0.231 4.550 4.320 -0.001 0.000 0.201 222 K C -0.347 176.192 176.600 -0.101 0.000 1.128 222 K CA 0.063 56.308 56.287 -0.071 0.000 1.000 222 K CB 0.483 32.893 32.500 -0.151 0.000 0.961 222 K HN 0.483 nan 8.250 nan 0.000 0.555 223 N N 0.966 119.591 118.700 -0.124 0.000 2.484 223 N HA 0.375 5.115 4.740 -0.001 0.000 0.269 223 N C -1.321 174.040 175.510 -0.249 0.000 1.237 223 N CA -0.491 52.321 53.050 -0.396 0.000 0.838 223 N CB 2.350 40.069 38.487 -1.281 0.000 1.593 223 N HN -0.042 nan 8.380 nan 0.000 0.485 224 M N -0.347 119.118 119.600 -0.226 0.000 2.569 224 M HA 0.624 5.103 4.480 -0.001 0.000 0.279 224 M C -1.982 174.380 176.300 0.104 0.000 1.253 224 M CA -0.942 54.350 55.300 -0.013 0.000 0.867 224 M CB 2.901 35.484 32.600 -0.028 0.000 1.727 224 M HN 0.468 nan 8.290 nan 0.000 0.467 225 L N 3.800 125.108 121.223 0.141 0.000 2.386 225 L HA 0.871 5.210 4.340 -0.001 0.000 0.271 225 L C -1.448 175.315 176.870 -0.180 0.000 0.993 225 L CA -0.750 54.135 54.840 0.076 0.000 0.819 225 L CB 1.965 44.119 42.059 0.159 0.000 1.294 225 L HN 0.945 nan 8.230 nan 0.000 0.414 226 I N 0.947 121.324 120.570 -0.322 0.000 3.042 226 I HA 0.605 4.774 4.170 -0.001 0.000 0.310 226 I C -0.668 175.162 176.117 -0.479 0.000 1.117 226 I CA -0.579 60.347 61.300 -0.623 0.000 1.003 226 I CB 2.256 39.612 38.000 -1.072 0.000 1.228 226 I HN 0.732 nan 8.210 nan 0.000 0.443 227 Q N 2.177 121.753 119.800 -0.374 0.000 2.563 227 Q HA 0.336 4.675 4.340 -0.001 0.000 0.236 227 Q C 0.070 175.967 176.000 -0.172 0.000 0.792 227 Q CA 0.452 56.113 55.803 -0.237 0.000 0.960 227 Q CB 0.646 29.240 28.738 -0.241 0.000 1.304 227 Q HN 0.654 nan 8.270 nan 0.000 0.566 228 R N 2.090 122.510 120.500 -0.134 0.000 2.593 228 R HA 0.320 4.659 4.340 -0.001 0.000 0.282 228 R C -0.693 175.334 176.300 -0.455 0.000 1.300 228 R CA 0.484 56.238 56.100 -0.576 0.000 1.221 228 R CB 0.275 29.892 30.300 -1.139 0.000 1.157 228 R HN 0.380 nan 8.270 nan 0.000 0.555 229 T N -2.479 112.038 114.554 -0.063 0.000 2.908 229 T HA 0.135 4.485 4.350 -0.001 0.000 0.290 229 T C 0.060 175.015 174.700 0.425 0.000 1.034 229 T CA -0.870 61.325 62.100 0.158 0.000 1.010 229 T CB 1.832 70.634 68.868 -0.110 0.000 1.068 229 T HN 0.411 nan 8.240 nan 0.000 0.481 230 H N 2.131 121.416 119.070 0.358 0.000 3.140 230 H HA -0.055 4.501 4.556 -0.001 0.000 0.316 230 H C 1.083 176.466 175.328 0.092 0.000 0.986 230 H CA 0.525 56.681 56.048 0.179 0.000 1.397 230 H CB 0.319 30.208 29.762 0.212 0.000 1.377 230 H HN 0.936 nan 8.280 nan 0.000 0.585 231 Y N 2.437 122.848 120.300 0.185 0.000 2.241 231 Y HA -0.195 4.355 4.550 -0.001 0.000 0.286 231 Y C 2.159 178.224 175.900 0.274 0.000 1.166 231 Y CA 1.052 59.284 58.100 0.220 0.000 1.203 231 Y CB -0.667 37.862 38.460 0.116 0.000 0.977 231 Y HN 0.298 nan 8.280 nan 0.000 0.529 232 S N 0.307 116.032 115.700 0.040 0.000 2.406 232 S HA -0.113 4.356 4.470 -0.001 0.000 0.228 232 S C 2.089 176.599 174.600 -0.151 0.000 1.020 232 S CA 1.124 59.236 58.200 -0.146 0.000 0.965 232 S CB -0.549 62.334 63.200 -0.529 0.000 0.798 232 S HN 0.374 nan 8.310 nan 0.000 0.488 233 V N 2.040 121.923 119.914 -0.053 0.000 2.307 233 V HA -0.185 3.934 4.120 -0.001 0.000 0.245 233 V C 2.251 178.376 176.094 0.052 0.000 1.045 233 V CA 1.622 63.928 62.300 0.010 0.000 1.024 233 V CB -0.533 31.397 31.823 0.179 0.000 0.651 233 V HN 0.410 nan 8.190 nan 0.000 0.449 234 K N 0.115 120.588 120.400 0.121 0.000 2.032 234 K HA -0.263 4.057 4.320 -0.001 0.000 0.209 234 K C 2.279 179.005 176.600 0.210 0.000 1.048 234 K CA 1.918 58.296 56.287 0.151 0.000 0.927 234 K CB -0.258 32.387 32.500 0.242 0.000 0.712 234 K HN 0.356 nan 8.250 nan 0.000 0.441 235 K N 1.161 121.684 120.400 0.205 0.000 2.026 235 K HA -0.240 4.079 4.320 -0.001 0.000 0.208 235 K C 2.155 178.843 176.600 0.146 0.000 1.048 235 K CA 1.812 58.226 56.287 0.212 0.000 0.929 235 K CB 0.028 32.583 32.500 0.092 0.000 0.713 235 K HN -0.001 nan 8.250 nan 0.000 0.439 236 E N 0.787 120.996 120.200 0.015 0.000 2.051 236 E HA -0.148 4.202 4.350 -0.001 0.000 0.192 236 E C 1.948 178.539 176.600 -0.015 0.000 0.991 236 E CA 1.379 57.749 56.400 -0.051 0.000 0.799 236 E CB -0.153 29.469 29.700 -0.130 0.000 0.748 236 E HN 0.340 nan 8.360 nan 0.000 0.449 237 L N -0.158 121.066 121.223 0.002 0.000 2.093 237 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 237 L C 2.536 179.424 176.870 0.030 0.000 1.085 237 L CA 0.915 55.750 54.840 -0.007 0.000 0.755 237 L CB -0.605 41.434 42.059 -0.035 0.000 0.904 237 L HN 0.219 nan 8.230 nan 0.000 0.435 238 A N -0.200 122.688 122.820 0.113 0.000 1.902 238 A HA -0.261 4.059 4.320 -0.001 0.000 0.217 238 A C 2.214 179.979 177.584 0.301 0.000 1.181 238 A CA 1.575 53.736 52.037 0.207 0.000 0.623 238 A CB -0.489 18.777 19.000 0.443 0.000 0.818 238 A HN 0.467 nan 8.150 nan 0.000 0.443 239 Q N -0.988 118.943 119.800 0.218 0.000 2.226 239 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 239 Q C 1.366 177.359 176.000 -0.011 0.000 0.975 239 Q CA 1.293 57.079 55.803 -0.028 0.000 0.866 239 Q CB -0.026 28.559 28.738 -0.255 0.000 0.915 239 Q HN 0.611 nan 8.270 nan 0.000 0.440 240 Q N -0.237 119.567 119.800 0.007 0.000 2.247 240 Q HA 0.140 4.480 4.340 -0.001 0.000 0.204 240 Q C -0.415 175.601 176.000 0.026 0.000 0.872 240 Q CA -0.020 55.783 55.803 0.000 0.000 0.951 240 Q CB 0.680 29.407 28.738 -0.018 0.000 1.099 240 Q HN 0.279 nan 8.270 nan 0.000 0.501 241 R N 0.862 121.383 120.500 0.035 0.000 3.322 241 R HA -0.212 4.127 4.340 -0.001 0.000 0.253 241 R C -0.121 176.208 176.300 0.048 0.000 0.987 241 R CA 0.470 56.580 56.100 0.018 0.000 0.666 241 R CB -1.917 28.420 30.300 0.060 0.000 1.072 241 R HN 0.388 nan 8.270 nan 0.000 0.447 242 Q N 0.058 119.875 119.800 0.029 0.000 2.186 242 Q HA 0.194 4.534 4.340 -0.001 0.000 0.241 242 Q C 1.197 177.270 176.000 0.122 0.000 0.849 242 Q CA -0.225 55.629 55.803 0.084 0.000 1.053 242 Q CB 0.537 29.290 28.738 0.025 0.000 1.146 242 Q HN 0.444 nan 8.270 nan 0.000 0.475 243 L N 0.048 121.279 121.223 0.014 0.000 2.418 243 L HA 0.050 4.390 4.340 -0.001 0.000 0.218 243 L C 0.321 177.186 176.870 -0.008 0.000 1.125 243 L CA 0.901 55.725 54.840 -0.028 0.000 0.835 243 L CB 0.310 42.168 42.059 -0.336 0.000 0.953 243 L HN 0.181 nan 8.230 nan 0.000 0.454 244 E N 0.261 120.498 120.200 0.061 0.000 2.158 244 E HA 0.520 4.869 4.350 -0.001 0.000 0.271 244 E C -1.202 175.329 176.600 -0.116 0.000 0.911 244 E CA -0.532 55.718 56.400 -0.251 0.000 0.767 244 E CB 1.473 31.145 29.700 -0.047 0.000 1.120 244 E HN 0.008 nan 8.360 nan 0.000 0.405 245 F N -0.274 119.427 119.950 -0.414 0.000 2.668 245 F HA 0.464 4.990 4.527 -0.001 0.000 0.309 245 F C -1.543 174.152 175.800 -0.175 0.000 1.117 245 F CA -1.395 56.505 58.000 -0.167 0.000 0.951 245 F CB 0.764 39.696 39.000 -0.113 0.000 1.323 245 F HN 0.154 nan 8.300 nan 0.000 0.451 246 L N 2.678 124.057 121.223 0.260 0.000 2.282 246 L HA 0.171 4.510 4.340 -0.001 0.000 0.287 246 L C -1.064 176.030 176.870 0.374 0.000 1.075 246 L CA -0.214 54.775 54.840 0.248 0.000 0.839 246 L CB 0.460 42.667 42.059 0.247 0.000 1.219 246 L HN 0.588 nan 8.230 nan 0.000 0.434 247 W N 6.826 128.229 121.300 0.172 0.000 2.416 247 W HA 0.328 4.988 4.660 -0.001 0.000 0.318 247 W C 0.248 176.793 176.519 0.043 0.000 1.150 247 W CA -1.283 56.184 57.345 0.202 0.000 1.392 247 W CB 0.427 30.047 29.460 0.266 0.000 1.311 247 W HN 0.510 nan 8.180 nan 0.000 0.436 248 R N 3.775 124.449 120.500 0.292 0.000 2.758 248 R HA 0.530 4.870 4.340 -0.001 0.000 0.265 248 R C -0.051 176.161 176.300 -0.146 0.000 1.016 248 R CA -0.895 55.205 56.100 0.001 0.000 1.040 248 R CB 1.116 31.400 30.300 -0.027 0.000 1.152 248 R HN 0.238 nan 8.270 nan 0.000 0.503 249 Q N 1.428 120.988 119.800 -0.399 0.000 2.421 249 Q HA 0.046 4.385 4.340 -0.001 0.000 0.255 249 Q C 1.471 177.078 176.000 -0.655 0.000 1.013 249 Q CA 0.137 55.501 55.803 -0.733 0.000 0.895 249 Q CB 0.762 28.611 28.738 -1.482 0.000 1.271 249 Q HN 0.851 nan 8.270 nan 0.000 0.460 250 I N -2.087 118.193 120.570 -0.485 0.000 2.454 250 I HA -0.153 4.016 4.170 -0.001 0.000 0.254 250 I C 1.327 177.383 176.117 -0.101 0.000 1.156 250 I CA 1.291 62.478 61.300 -0.188 0.000 1.433 250 I CB -0.363 37.626 38.000 -0.018 0.000 1.082 250 I HN 0.677 nan 8.210 nan 0.000 0.432 251 W N 1.339 122.698 121.300 0.099 0.000 3.278 251 W HA 0.361 5.021 4.660 -0.000 0.000 0.308 251 W C 0.233 176.828 176.519 0.127 0.000 1.253 251 W CA -0.663 56.800 57.345 0.197 0.000 1.759 251 W CB -0.688 28.976 29.460 0.341 0.000 1.093 251 W HN -0.062 nan 8.180 nan 0.000 0.648 252 D N 1.889 122.057 120.400 -0.386 0.000 2.422 252 D HA -0.023 4.617 4.640 -0.001 0.000 0.227 252 D C 1.017 177.296 176.300 -0.036 0.000 1.190 252 D CA 0.150 54.041 54.000 -0.182 0.000 0.905 252 D CB 0.314 40.907 40.800 -0.345 0.000 1.034 252 D HN 0.082 nan 8.370 nan 0.000 0.507 253 N N 3.765 122.503 118.700 0.063 0.000 2.216 253 N HA -0.140 4.599 4.740 -0.001 0.000 0.183 253 N C 1.428 176.958 175.510 0.033 0.000 1.017 253 N CA 1.169 54.249 53.050 0.049 0.000 0.861 253 N CB 0.146 38.682 38.487 0.082 0.000 0.986 253 N HN 0.347 nan 8.380 nan 0.000 0.428 254 K N -1.305 119.120 120.400 0.041 0.000 2.137 254 K HA 0.088 4.407 4.320 -0.001 0.000 0.202 254 K C 0.585 177.199 176.600 0.024 0.000 1.052 254 K CA 0.952 57.260 56.287 0.034 0.000 0.961 254 K CB 0.055 32.580 32.500 0.042 0.000 0.741 254 K HN 0.262 nan 8.250 nan 0.000 0.452 255 G N 1.079 109.885 108.800 0.011 0.000 2.144 255 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.218 255 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.218 255 G C 0.116 175.019 174.900 0.005 0.000 0.988 255 G CA 0.369 45.473 45.100 0.006 0.000 0.659 255 G HN 0.373 nan 8.290 nan 0.000 0.522 256 D N 0.607 121.011 120.400 0.007 0.000 2.310 256 D HA -0.040 4.599 4.640 -0.001 0.000 0.212 256 D C 2.579 178.868 176.300 -0.020 0.000 0.965 256 D CA 1.778 55.779 54.000 0.002 0.000 0.879 256 D CB -0.280 40.528 40.800 0.013 0.000 0.921 256 D HN 0.690 nan 8.370 nan 0.000 0.510 257 T N -2.084 112.449 114.554 -0.036 0.000 3.113 257 T HA 0.303 4.653 4.350 -0.001 0.000 0.256 257 T C 0.968 175.629 174.700 -0.066 0.000 1.131 257 T CA -0.033 62.024 62.100 -0.071 0.000 1.074 257 T CB -0.031 68.776 68.868 -0.101 0.000 0.944 257 T HN 0.073 nan 8.240 nan 0.000 0.516 258 A N 1.382 124.189 122.820 -0.021 0.000 2.511 258 A HA 0.558 4.877 4.320 -0.001 0.000 0.242 258 A C -0.283 177.320 177.584 0.032 0.000 1.069 258 A CA -0.347 51.707 52.037 0.029 0.000 0.763 258 A CB -0.089 18.954 19.000 0.071 0.000 1.001 258 A HN 0.547 nan 8.150 nan 0.000 0.498 259 L N 2.639 123.901 121.223 0.065 0.000 2.409 259 L HA 0.551 4.890 4.340 -0.001 0.000 0.272 259 L C -0.654 176.274 176.870 0.096 0.000 0.980 259 L CA -0.553 54.320 54.840 0.056 0.000 0.826 259 L CB 1.432 43.488 42.059 -0.005 0.000 1.268 259 L HN 0.662 nan 8.230 nan 0.000 0.407 260 F N 3.847 123.759 119.950 -0.064 0.000 2.602 260 F HA 0.362 4.888 4.527 -0.001 0.000 0.385 260 F C 0.053 175.736 175.800 -0.195 0.000 1.063 260 F CA 0.822 58.750 58.000 -0.120 0.000 1.233 260 F CB 0.409 39.355 39.000 -0.091 0.000 1.067 260 F HN 0.562 nan 8.300 nan 0.000 0.564 261 T N 5.425 119.415 114.554 -0.939 0.000 2.848 261 T HA 0.198 4.547 4.350 -0.001 0.000 0.285 261 T C -1.575 172.508 174.700 -1.028 0.000 0.995 261 T CA -0.478 61.142 62.100 -0.801 0.000 0.970 261 T CB 0.884 69.274 68.868 -0.797 0.000 0.976 261 T HN 0.607 nan 8.240 nan 0.000 0.441 262 H N 2.904 121.679 119.070 -0.492 0.000 2.541 262 H HA 0.614 5.169 4.556 -0.001 0.000 0.316 262 H C -0.362 174.790 175.328 -0.293 0.000 1.043 262 H CA -0.746 55.132 56.048 -0.283 0.000 1.232 262 H CB 0.721 30.532 29.762 0.082 0.000 1.406 262 H HN 0.480 nan 8.280 nan 0.000 0.469 263 M N 6.964 126.255 119.600 -0.515 0.000 2.113 263 M HA 0.284 4.764 4.480 -0.001 0.000 0.352 263 M C -0.897 175.164 176.300 -0.398 0.000 1.170 263 M CA -0.573 54.492 55.300 -0.392 0.000 1.053 263 M CB 0.640 33.062 32.600 -0.296 0.000 1.601 263 M HN 0.670 nan 8.290 nan 0.000 0.459 264 M N 6.795 126.254 119.600 -0.235 0.000 2.248 264 M HA 0.181 4.661 4.480 -0.001 0.000 0.337 264 M C -1.608 174.560 176.300 -0.220 0.000 1.121 264 M CA -1.164 54.041 55.300 -0.158 0.000 1.155 264 M CB 0.365 32.892 32.600 -0.122 0.000 1.514 264 M HN 0.480 nan 8.290 nan 0.000 0.452 265 P HA 0.131 nan 4.420 nan 0.000 0.245 265 P C -0.361 176.741 177.300 -0.329 0.000 1.199 265 P CA 0.844 63.636 63.100 -0.514 0.000 0.807 265 P CB 0.380 31.471 31.700 -1.015 0.000 1.002 266 F N -1.988 117.968 119.950 0.010 0.000 2.611 266 F HA 0.310 4.837 4.527 -0.001 0.000 0.374 266 F C 1.973 177.859 175.800 0.144 0.000 1.110 266 F CA -1.387 56.654 58.000 0.069 0.000 1.090 266 F CB -0.872 38.106 39.000 -0.037 0.000 1.388 266 F HN -0.327 nan 8.300 nan 0.000 0.501 267 Y N -0.099 120.337 120.300 0.225 0.000 2.373 267 Y HA 0.132 4.681 4.550 -0.001 0.000 0.293 267 Y C 0.950 176.764 175.900 -0.144 0.000 1.129 267 Y CA 1.370 59.460 58.100 -0.017 0.000 1.226 267 Y CB 0.100 38.434 38.460 -0.209 0.000 1.000 267 Y HN 0.376 nan 8.280 nan 0.000 0.549 268 S N -2.227 113.350 115.700 -0.204 0.000 2.671 268 S HA 0.244 4.713 4.470 -0.001 0.000 0.277 268 S C -0.427 174.106 174.600 -0.111 0.000 1.165 268 S CA -0.309 57.682 58.200 -0.348 0.000 0.822 268 S CB 0.159 63.065 63.200 -0.489 0.000 1.150 268 S HN 0.250 nan 8.310 nan 0.000 0.479 269 Y N 0.671 120.937 120.300 -0.056 0.000 2.466 269 Y HA 0.337 4.887 4.550 -0.001 0.000 0.272 269 Y C 0.403 176.386 175.900 0.139 0.000 1.169 269 Y CA -0.549 57.539 58.100 -0.020 0.000 1.285 269 Y CB -0.959 37.397 38.460 -0.174 0.000 1.078 269 Y HN 0.491 nan 8.280 nan 0.000 0.523 270 D N 0.658 121.077 120.400 0.032 0.000 2.371 270 D HA -0.005 4.635 4.640 -0.001 0.000 0.242 270 D C 1.244 177.669 176.300 0.209 0.000 1.218 270 D CA -0.445 53.657 54.000 0.170 0.000 0.945 270 D CB 0.879 41.734 40.800 0.093 0.000 1.137 270 D HN 0.248 nan 8.370 nan 0.000 0.464 271 I N -0.120 120.550 120.570 0.167 0.000 2.208 271 I HA -0.171 3.998 4.170 -0.001 0.000 0.245 271 I C -0.741 175.405 176.117 0.049 0.000 1.097 271 I CA 0.967 62.348 61.300 0.135 0.000 1.363 271 I CB -1.210 36.860 38.000 0.118 0.000 1.051 271 I HN 0.353 nan 8.210 nan 0.000 0.413 272 P HA -0.167 nan 4.420 nan 0.000 0.218 272 P C 0.621 177.613 177.300 -0.513 0.000 1.146 272 P CA 1.652 64.557 63.100 -0.326 0.000 0.813 272 P CB -0.125 31.364 31.700 -0.352 0.000 0.778 273 H N -2.913 116.150 119.070 -0.011 0.000 2.486 273 H HA 0.222 4.778 4.556 -0.001 0.000 0.284 273 H C 0.920 176.343 175.328 0.159 0.000 1.103 273 H CA 0.607 56.666 56.048 0.018 0.000 1.089 273 H CB -0.244 29.594 29.762 0.126 0.000 1.603 273 H HN 0.124 nan 8.280 nan 0.000 0.557 274 T N -4.331 110.338 114.554 0.191 0.000 2.986 274 T HA -0.031 4.319 4.350 -0.001 0.000 0.264 274 T C 1.808 176.628 174.700 0.200 0.000 0.964 274 T CA 0.357 62.596 62.100 0.231 0.000 0.895 274 T CB -0.680 68.314 68.868 0.210 0.000 1.163 274 T HN 0.509 nan 8.240 nan 0.000 0.517 275 c N 1.649 120.335 118.600 0.144 0.000 2.495 275 c HA 0.705 5.275 4.570 -0.001 0.000 0.275 275 c C 1.337 175.542 174.090 0.192 0.000 1.392 275 c CA 0.396 56.847 56.329 0.204 0.000 1.766 275 c CB -1.173 41.420 42.510 0.139 0.000 1.933 275 c HN 0.907 nan 8.230 nan 0.000 0.519 276 G N -0.336 108.499 108.800 0.059 0.000 2.324 276 G HA2 0.357 4.317 3.960 -0.001 0.000 0.293 276 G HA3 0.357 4.317 3.960 -0.001 0.000 0.293 276 G C -2.717 171.758 174.900 -0.708 0.000 1.297 276 G CA 0.204 45.256 45.100 -0.081 0.000 0.853 276 G HN -0.100 nan 8.290 nan 0.000 0.535 277 P HA 0.091 nan 4.420 nan 0.000 0.229 277 P C -0.093 176.797 177.300 -0.684 0.000 1.160 277 P CA 1.034 63.443 63.100 -1.151 0.000 0.777 277 P CB 0.368 31.724 31.700 -0.572 0.000 0.814 278 D N 0.892 121.002 120.400 -0.485 0.000 2.454 278 D HA 0.142 4.782 4.640 -0.001 0.000 0.225 278 D C -1.496 174.473 176.300 -0.551 0.000 1.081 278 D CA -2.597 51.163 54.000 -0.399 0.000 0.864 278 D CB 1.325 41.972 40.800 -0.255 0.000 1.040 278 D HN -0.005 nan 8.370 nan 0.000 0.517 279 P HA -0.135 nan 4.420 nan 0.000 0.223 279 P C 1.248 177.745 177.300 -1.339 0.000 1.151 279 P CA 0.657 63.032 63.100 -1.208 0.000 0.787 279 P CB 0.513 31.224 31.700 -1.649 0.000 0.788 280 K N 0.306 120.057 120.400 -1.082 0.000 2.147 280 K HA -0.077 4.243 4.320 -0.001 0.000 0.205 280 K C 1.805 178.217 176.600 -0.315 0.000 1.049 280 K CA 1.167 57.110 56.287 -0.574 0.000 0.936 280 K CB -0.246 32.109 32.500 -0.243 0.000 0.722 280 K HN -0.066 nan 8.250 nan 0.000 0.446 281 V N 0.405 120.143 119.914 -0.293 0.000 2.302 281 V HA -0.246 3.874 4.120 -0.001 0.000 0.243 281 V C 2.431 178.486 176.094 -0.065 0.000 1.036 281 V CA 1.453 63.671 62.300 -0.136 0.000 1.020 281 V CB -0.367 31.395 31.823 -0.102 0.000 0.657 281 V HN 0.477 nan 8.190 nan 0.000 0.453 282 c N -0.692 117.797 118.600 -0.184 0.000 2.413 282 c HA -0.206 4.363 4.570 -0.001 0.000 0.277 282 c C 2.995 177.043 174.090 -0.069 0.000 1.265 282 c CA 0.796 57.074 56.329 -0.085 0.000 1.752 282 c CB -1.503 40.883 42.510 -0.207 0.000 1.998 282 c HN 0.765 nan 8.230 nan 0.000 0.489 283 c N 0.827 119.298 118.600 -0.215 0.000 2.410 283 c HA -0.164 4.405 4.570 -0.001 0.000 0.281 283 c C 2.615 176.595 174.090 -0.184 0.000 1.318 283 c CA 1.317 57.567 56.329 -0.132 0.000 1.776 283 c CB -1.460 41.037 42.510 -0.021 0.000 1.942 283 c HN 0.644 nan 8.230 nan 0.000 0.508 284 Q N -1.443 118.198 119.800 -0.266 0.000 2.488 284 Q HA -0.005 4.335 4.340 -0.001 0.000 0.211 284 Q C 0.716 176.082 176.000 -1.056 0.000 0.967 284 Q CA 0.965 56.433 55.803 -0.558 0.000 0.926 284 Q CB -0.017 28.377 28.738 -0.573 0.000 0.992 284 Q HN 0.745 nan 8.270 nan 0.000 0.506 285 F N -0.215 119.449 119.950 -0.478 0.000 2.668 285 F HA 0.162 4.688 4.527 -0.000 0.000 0.301 285 F C 0.249 175.791 175.800 -0.429 0.000 1.106 285 F CA -0.547 57.088 58.000 -0.608 0.000 1.289 285 F CB 0.752 39.627 39.000 -0.209 0.000 1.006 285 F HN -0.141 nan 8.300 nan 0.000 0.535 286 D N 0.060 120.255 120.400 -0.343 0.000 2.485 286 D HA 0.131 4.771 4.640 -0.001 0.000 0.221 286 D C 0.486 176.623 176.300 -0.273 0.000 1.112 286 D CA -0.352 53.556 54.000 -0.154 0.000 0.911 286 D CB 0.088 40.847 40.800 -0.068 0.000 1.019 286 D HN 0.085 nan 8.370 nan 0.000 0.516 287 F N 1.720 121.674 119.950 0.008 0.000 2.771 287 F HA 0.095 4.622 4.527 -0.001 0.000 0.299 287 F C 2.325 178.074 175.800 -0.085 0.000 1.177 287 F CA 0.300 58.279 58.000 -0.035 0.000 1.450 287 F CB 0.072 39.073 39.000 0.002 0.000 1.114 287 F HN 0.258 nan 8.300 nan 0.000 0.587 288 K N 0.655 120.997 120.400 -0.097 0.000 2.525 288 K HA 0.039 4.358 4.320 -0.001 0.000 0.192 288 K C 1.081 177.650 176.600 -0.052 0.000 1.029 288 K CA 0.325 56.431 56.287 -0.301 0.000 1.029 288 K CB 0.111 32.293 32.500 -0.531 0.000 0.814 288 K HN 0.212 nan 8.250 nan 0.000 0.503 289 R N -0.094 120.397 120.500 -0.015 0.000 2.609 289 R HA 0.211 4.551 4.340 -0.001 0.000 0.326 289 R C 1.006 177.328 176.300 0.037 0.000 1.090 289 R CA -0.190 55.920 56.100 0.016 0.000 1.072 289 R CB 0.277 30.565 30.300 -0.020 0.000 1.330 289 R HN 0.173 nan 8.270 nan 0.000 0.572 290 M N -1.065 118.589 119.600 0.090 0.000 2.541 290 M HA 0.146 4.625 4.480 -0.001 0.000 0.252 290 M C 1.215 177.552 176.300 0.062 0.000 1.125 290 M CA 1.077 56.418 55.300 0.068 0.000 1.091 290 M CB 0.738 33.391 32.600 0.088 0.000 1.420 290 M HN 0.498 nan 8.290 nan 0.000 0.486 291 G N -0.229 108.626 108.800 0.091 0.000 3.288 291 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.195 291 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.195 291 G C 1.001 175.914 174.900 0.023 0.000 1.093 291 G CA 0.252 45.380 45.100 0.047 0.000 0.852 291 G HN 0.404 nan 8.290 nan 0.000 0.453 292 S N 0.253 115.936 115.700 -0.029 0.000 2.474 292 S HA 0.183 4.653 4.470 -0.001 0.000 0.235 292 S C 1.732 176.157 174.600 -0.291 0.000 0.997 292 S CA 1.508 59.594 58.200 -0.191 0.000 0.949 292 S CB -0.440 62.574 63.200 -0.311 0.000 0.766 292 S HN 0.344 nan 8.310 nan 0.000 0.517 293 F N 1.864 121.809 119.950 -0.008 0.000 2.765 293 F HA 0.427 4.953 4.527 -0.001 0.000 0.302 293 F C 1.887 177.682 175.800 -0.008 0.000 1.111 293 F CA -0.054 57.940 58.000 -0.011 0.000 1.359 293 F CB -0.193 38.797 39.000 -0.016 0.000 1.097 293 F HN 0.361 nan 8.300 nan 0.000 0.577 294 G N 1.153 110.024 108.800 0.118 0.000 2.160 294 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.251 294 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.251 294 G C -0.109 174.839 174.900 0.080 0.000 1.008 294 G CA 0.100 45.245 45.100 0.075 0.000 0.724 294 G HN 0.316 nan 8.290 nan 0.000 0.514 295 L N 0.088 121.372 121.223 0.102 0.000 2.341 295 L HA 0.870 5.210 4.340 -0.001 0.000 0.267 295 L C 0.511 177.412 176.870 0.052 0.000 1.009 295 L CA -0.394 54.488 54.840 0.071 0.000 0.819 295 L CB 2.339 44.437 42.059 0.064 0.000 1.323 295 L HN 0.448 nan 8.230 nan 0.000 0.425 296 S N -0.734 114.985 115.700 0.033 0.000 2.671 296 S HA 0.543 5.012 4.470 -0.001 0.000 0.277 296 S C -1.246 173.369 174.600 0.026 0.000 1.165 296 S CA -0.810 57.402 58.200 0.020 0.000 0.822 296 S CB 1.623 64.825 63.200 0.004 0.000 1.150 296 S HN 0.526 nan 8.310 nan 0.000 0.479 297 c N 2.790 121.411 118.600 0.035 0.000 2.255 297 c HA 0.541 5.111 4.570 -0.001 0.000 0.326 297 c C -1.204 172.891 174.090 0.010 0.000 1.258 297 c CA -1.091 55.301 56.329 0.106 0.000 1.676 297 c CB 0.656 43.260 42.510 0.156 0.000 2.314 297 c HN 0.766 nan 8.230 nan 0.000 0.509 298 P HA -0.107 nan 4.420 nan 0.000 0.221 298 P C 1.215 178.247 177.300 -0.447 0.000 1.145 298 P CA 1.382 64.206 63.100 -0.459 0.000 0.795 298 P CB 0.039 31.215 31.700 -0.873 0.000 0.775 299 W N -0.164 121.111 121.300 -0.041 0.000 3.180 299 W HA 0.158 4.818 4.660 -0.000 0.000 0.254 299 W C 0.618 177.108 176.519 -0.047 0.000 1.318 299 W CA 0.246 57.563 57.345 -0.048 0.000 1.608 299 W CB -0.516 28.907 29.460 -0.063 0.000 1.124 299 W HN 0.118 nan 8.180 nan 0.000 0.694 300 K N -1.159 119.299 120.400 0.097 0.000 3.467 300 K HA -0.170 4.149 4.320 -0.001 0.000 0.309 300 K C -0.440 176.182 176.600 0.036 0.000 1.350 300 K CA 0.479 56.788 56.287 0.037 0.000 0.934 300 K CB -1.940 30.568 32.500 0.013 0.000 1.312 300 K HN -0.121 nan 8.250 nan 0.000 0.461 301 V N 1.730 121.677 119.914 0.055 0.000 2.378 301 V HA 0.358 4.477 4.120 -0.001 0.000 0.288 301 V C -1.833 174.245 176.094 -0.028 0.000 1.016 301 V CA -1.552 60.749 62.300 0.003 0.000 0.840 301 V CB 1.379 33.195 31.823 -0.012 0.000 0.994 301 V HN -0.040 nan 8.190 nan 0.000 0.431 302 P HA 0.458 nan 4.420 nan 0.000 0.278 302 P C -2.867 174.336 177.300 -0.161 0.000 1.258 302 P CA -2.200 60.853 63.100 -0.078 0.000 0.811 302 P CB 0.378 32.048 31.700 -0.050 0.000 1.063 303 P HA 0.282 nan 4.420 nan 0.000 0.272 303 P C -0.364 176.825 177.300 -0.184 0.000 1.223 303 P CA 0.084 62.971 63.100 -0.356 0.000 0.784 303 P CB 0.570 31.996 31.700 -0.458 0.000 0.923 304 R N 0.312 120.714 120.500 -0.164 0.000 2.686 304 R HA 0.422 4.762 4.340 -0.001 0.000 0.286 304 R C -0.315 176.037 176.300 0.087 0.000 0.969 304 R CA -0.680 55.399 56.100 -0.035 0.000 0.898 304 R CB 1.294 31.555 30.300 -0.065 0.000 1.183 304 R HN 0.351 nan 8.270 nan 0.000 0.456 305 T N 3.872 118.477 114.554 0.086 0.000 2.905 305 T HA 0.024 4.374 4.350 -0.001 0.000 0.299 305 T C 0.753 175.452 174.700 -0.001 0.000 1.024 305 T CA 0.155 62.288 62.100 0.054 0.000 1.151 305 T CB 0.127 69.004 68.868 0.015 0.000 0.987 305 T HN 0.195 nan 8.240 nan 0.000 0.535 306 I N 4.011 124.538 120.570 -0.071 0.000 2.496 306 I HA 0.224 4.393 4.170 -0.001 0.000 0.285 306 I C 1.010 177.083 176.117 -0.074 0.000 1.080 306 I CA 0.111 61.361 61.300 -0.083 0.000 1.404 306 I CB 0.134 38.044 38.000 -0.150 0.000 1.403 306 I HN 0.766 nan 8.210 nan 0.000 0.539 307 S N 3.805 119.471 115.700 -0.057 0.000 2.667 307 S HA 0.436 4.905 4.470 -0.001 0.000 0.292 307 S C 0.363 174.935 174.600 -0.048 0.000 1.126 307 S CA -0.759 57.415 58.200 -0.044 0.000 0.881 307 S CB 2.156 65.337 63.200 -0.032 0.000 1.132 307 S HN 0.498 nan 8.310 nan 0.000 0.492 308 D N 0.689 121.070 120.400 -0.031 0.000 2.221 308 D HA -0.054 4.585 4.640 -0.001 0.000 0.204 308 D C 1.521 177.800 176.300 -0.035 0.000 0.982 308 D CA 1.439 55.423 54.000 -0.027 0.000 0.857 308 D CB -0.202 40.596 40.800 -0.003 0.000 0.934 308 D HN 0.550 nan 8.370 nan 0.000 0.475 309 Q N -0.061 119.720 119.800 -0.031 0.000 2.389 309 Q HA 0.006 4.345 4.340 -0.001 0.000 0.204 309 Q C 1.223 177.201 176.000 -0.037 0.000 0.944 309 Q CA 0.692 56.478 55.803 -0.027 0.000 0.908 309 Q CB 0.008 28.735 28.738 -0.018 0.000 1.002 309 Q HN 0.353 nan 8.270 nan 0.000 0.493 310 N N -1.657 117.013 118.700 -0.050 0.000 2.181 310 N HA -0.015 4.724 4.740 -0.001 0.000 0.207 310 N C 1.074 176.536 175.510 -0.080 0.000 1.182 310 N CA 0.129 53.148 53.050 -0.051 0.000 0.893 310 N CB -0.223 38.240 38.487 -0.040 0.000 1.032 310 N HN 0.049 nan 8.380 nan 0.000 0.513 311 V N 0.440 120.272 119.914 -0.136 0.000 2.515 311 V HA -0.023 4.096 4.120 -0.001 0.000 0.250 311 V C 2.223 178.111 176.094 -0.344 0.000 1.058 311 V CA 1.946 64.112 62.300 -0.223 0.000 1.064 311 V CB -0.829 30.838 31.823 -0.261 0.000 0.675 311 V HN 0.433 nan 8.190 nan 0.000 0.461 312 A N -0.117 122.492 122.820 -0.352 0.000 1.873 312 A HA -0.027 4.293 4.320 -0.001 0.000 0.215 312 A C 2.428 180.044 177.584 0.054 0.000 1.186 312 A CA 2.075 54.020 52.037 -0.153 0.000 0.616 312 A CB -1.012 17.993 19.000 0.008 0.000 0.823 312 A HN 0.782 nan 8.150 nan 0.000 0.442 313 A N -0.473 122.358 122.820 0.018 0.000 1.898 313 A HA -0.127 4.192 4.320 -0.001 0.000 0.216 313 A C 2.241 179.860 177.584 0.059 0.000 1.181 313 A CA 1.359 53.425 52.037 0.047 0.000 0.620 313 A CB -0.434 18.577 19.000 0.018 0.000 0.819 313 A HN 0.417 nan 8.150 nan 0.000 0.442 314 R N 0.101 120.628 120.500 0.045 0.000 2.081 314 R HA -0.058 4.282 4.340 -0.001 0.000 0.235 314 R C 2.413 178.763 176.300 0.084 0.000 1.131 314 R CA 1.578 57.758 56.100 0.134 0.000 0.960 314 R CB -1.004 29.373 30.300 0.128 0.000 0.856 314 R HN 0.532 nan 8.270 nan 0.000 0.436 315 S N 1.257 116.954 115.700 -0.005 0.000 2.382 315 S HA -0.151 4.319 4.470 -0.001 0.000 0.228 315 S C 1.486 175.987 174.600 -0.166 0.000 1.027 315 S CA 1.432 59.548 58.200 -0.141 0.000 0.991 315 S CB -0.299 62.950 63.200 0.081 0.000 0.823 315 S HN 0.284 nan 8.310 nan 0.000 0.469 316 D N 1.346 121.830 120.400 0.140 0.000 2.116 316 D HA -0.080 4.560 4.640 -0.001 0.000 0.193 316 D C 1.813 178.127 176.300 0.023 0.000 0.998 316 D CA 1.008 55.139 54.000 0.219 0.000 0.836 316 D CB -0.246 40.692 40.800 0.230 0.000 0.951 316 D HN 0.263 nan 8.370 nan 0.000 0.449 317 L N -0.401 120.809 121.223 -0.022 0.000 2.056 317 L HA -0.134 4.205 4.340 -0.001 0.000 0.207 317 L C 2.316 179.015 176.870 -0.286 0.000 1.078 317 L CA 0.499 55.301 54.840 -0.064 0.000 0.749 317 L CB -0.281 41.813 42.059 0.057 0.000 0.901 317 L HN 0.173 nan 8.230 nan 0.000 0.433 318 L N -0.921 119.960 121.223 -0.570 0.000 2.044 318 L HA -0.111 4.228 4.340 -0.001 0.000 0.205 318 L C 2.330 178.520 176.870 -1.132 0.000 1.075 318 L CA 1.553 55.723 54.840 -1.117 0.000 0.747 318 L CB -0.333 40.754 42.059 -1.620 0.000 0.903 318 L HN -0.085 nan 8.230 nan 0.000 0.435 319 V N 0.030 119.392 119.914 -0.921 0.000 2.407 319 V HA -0.311 3.809 4.120 -0.001 0.000 0.248 319 V C 2.314 178.236 176.094 -0.287 0.000 1.055 319 V CA 1.932 63.840 62.300 -0.654 0.000 1.049 319 V CB -0.823 30.554 31.823 -0.745 0.000 0.662 319 V HN 0.588 nan 8.190 nan 0.000 0.455 320 D N -0.720 119.577 120.400 -0.172 0.000 2.123 320 D HA -0.214 4.425 4.640 -0.001 0.000 0.196 320 D C 2.237 178.505 176.300 -0.054 0.000 0.992 320 D CA 1.246 55.250 54.000 0.006 0.000 0.833 320 D CB -0.017 40.847 40.800 0.108 0.000 0.954 320 D HN 0.300 nan 8.370 nan 0.000 0.455 321 Q N -0.477 119.226 119.800 -0.161 0.000 2.061 321 Q HA -0.149 4.191 4.340 -0.001 0.000 0.204 321 Q C 2.177 178.187 176.000 0.016 0.000 0.984 321 Q CA 1.040 56.771 55.803 -0.121 0.000 0.846 321 Q CB -0.640 27.967 28.738 -0.218 0.000 0.902 321 Q HN 0.559 nan 8.270 nan 0.000 0.421 322 W N 1.459 122.651 121.300 -0.180 0.000 2.338 322 W HA -0.106 4.553 4.660 -0.001 0.000 0.304 322 W C 2.098 178.503 176.519 -0.191 0.000 1.212 322 W CA 0.780 58.020 57.345 -0.175 0.000 1.264 322 W CB -0.669 28.662 29.460 -0.216 0.000 1.142 322 W HN 0.224 nan 8.180 nan 0.000 0.512 323 K N 0.154 120.516 120.400 -0.064 0.000 2.148 323 K HA -0.132 4.188 4.320 -0.001 0.000 0.204 323 K C 1.938 178.372 176.600 -0.277 0.000 1.050 323 K CA 1.206 57.303 56.287 -0.316 0.000 0.942 323 K CB -0.206 31.827 32.500 -0.779 0.000 0.724 323 K HN 0.081 nan 8.250 nan 0.000 0.446 324 K N 1.057 121.374 120.400 -0.139 0.000 2.026 324 K HA -0.154 4.165 4.320 -0.001 0.000 0.208 324 K C 2.110 178.769 176.600 0.098 0.000 1.048 324 K CA 1.242 57.575 56.287 0.076 0.000 0.929 324 K CB -0.036 32.531 32.500 0.112 0.000 0.713 324 K HN 0.012 nan 8.250 nan 0.000 0.439 325 K N 0.829 121.296 120.400 0.111 0.000 2.063 325 K HA -0.160 4.159 4.320 -0.001 0.000 0.208 325 K C 2.052 178.768 176.600 0.194 0.000 1.048 325 K CA 1.397 57.780 56.287 0.161 0.000 0.928 325 K CB -0.124 32.488 32.500 0.187 0.000 0.713 325 K HN 0.164 nan 8.250 nan 0.000 0.442 326 A N 1.101 124.014 122.820 0.155 0.000 2.019 326 A HA -0.133 4.187 4.320 -0.001 0.000 0.219 326 A C 1.717 179.463 177.584 0.270 0.000 1.164 326 A CA 1.288 53.451 52.037 0.209 0.000 0.644 326 A CB -0.314 18.762 19.000 0.126 0.000 0.805 326 A HN 0.308 nan 8.150 nan 0.000 0.449 327 E N 0.084 120.419 120.200 0.225 0.000 2.265 327 E HA -0.104 4.245 4.350 -0.001 0.000 0.196 327 E C 1.620 178.345 176.600 0.209 0.000 0.996 327 E CA 0.689 57.233 56.400 0.240 0.000 0.832 327 E CB -0.258 29.606 29.700 0.273 0.000 0.756 327 E HN 0.728 nan 8.360 nan 0.000 0.491 328 L N -0.616 120.692 121.223 0.142 0.000 2.554 328 L HA 0.023 4.363 4.340 -0.001 0.000 0.226 328 L C 0.262 176.941 176.870 -0.318 0.000 1.137 328 L CA 0.306 55.102 54.840 -0.074 0.000 0.863 328 L CB -0.112 41.788 42.059 -0.266 0.000 0.985 328 L HN 0.000 nan 8.230 nan 0.000 0.451 329 Y N -1.715 118.669 120.300 0.140 0.000 2.633 329 Y HA 0.382 4.932 4.550 -0.001 0.000 0.339 329 Y C 1.086 177.103 175.900 0.194 0.000 1.045 329 Y CA -0.993 57.210 58.100 0.171 0.000 1.098 329 Y CB 1.212 39.782 38.460 0.184 0.000 1.296 329 Y HN -0.292 nan 8.280 nan 0.000 0.494 330 R N -0.555 120.186 120.500 0.402 0.000 2.265 330 R HA 0.099 4.438 4.340 -0.001 0.000 0.194 330 R C 0.306 176.739 176.300 0.221 0.000 0.931 330 R CA 0.685 56.932 56.100 0.244 0.000 1.032 330 R CB 0.338 30.716 30.300 0.130 0.000 0.980 330 R HN 0.748 nan 8.270 nan 0.000 0.497 331 T N -0.903 113.824 114.554 0.289 0.000 2.922 331 T HA 0.108 4.457 4.350 -0.001 0.000 0.281 331 T C 0.617 175.464 174.700 0.245 0.000 1.005 331 T CA -0.943 61.294 62.100 0.229 0.000 0.982 331 T CB 1.269 70.252 68.868 0.191 0.000 1.158 331 T HN 0.073 nan 8.240 nan 0.000 0.566 332 N N 0.122 118.940 118.700 0.197 0.000 2.327 332 N HA 0.139 4.879 4.740 -0.001 0.000 0.231 332 N C -0.694 174.797 175.510 -0.031 0.000 1.130 332 N CA -0.361 52.767 53.050 0.131 0.000 0.845 332 N CB -0.156 38.346 38.487 0.025 0.000 1.073 332 N HN 0.379 nan 8.380 nan 0.000 0.496 333 V N 1.244 121.173 119.914 0.026 0.000 2.409 333 V HA 0.425 4.545 4.120 -0.001 0.000 0.291 333 V C -0.640 175.532 176.094 0.129 0.000 1.020 333 V CA -0.982 61.333 62.300 0.026 0.000 0.848 333 V CB 1.567 33.389 31.823 -0.001 0.000 0.990 333 V HN 0.178 nan 8.190 nan 0.000 0.430 334 L N 5.702 126.941 121.223 0.028 0.000 2.341 334 L HA 0.692 5.032 4.340 -0.001 0.000 0.278 334 L C -0.881 175.850 176.870 -0.231 0.000 1.005 334 L CA -0.493 54.283 54.840 -0.107 0.000 0.818 334 L CB 1.673 43.569 42.059 -0.271 0.000 1.259 334 L HN 0.633 nan 8.230 nan 0.000 0.418 335 L N 6.387 127.264 121.223 -0.577 0.000 2.264 335 L HA 0.550 4.890 4.340 -0.001 0.000 0.289 335 L C -1.010 175.571 176.870 -0.483 0.000 1.044 335 L CA 0.145 54.490 54.840 -0.825 0.000 0.807 335 L CB 0.713 41.806 42.059 -1.610 0.000 1.192 335 L HN 0.438 nan 8.230 nan 0.000 0.425 336 I N 7.450 127.819 120.570 -0.336 0.000 2.502 336 I HA 0.335 4.505 4.170 -0.001 0.000 0.276 336 I C -2.273 173.820 176.117 -0.039 0.000 1.057 336 I CA -2.006 59.189 61.300 -0.174 0.000 1.163 336 I CB 1.005 38.874 38.000 -0.217 0.000 1.288 336 I HN 0.420 nan 8.210 nan 0.000 0.479 337 P HA 0.134 nan 4.420 nan 0.000 0.268 337 P C -0.438 177.038 177.300 0.294 0.000 1.205 337 P CA -0.196 63.033 63.100 0.214 0.000 0.771 337 P CB 0.814 32.676 31.700 0.272 0.000 0.858 338 L N 3.062 124.500 121.223 0.359 0.000 2.454 338 L HA 0.758 5.098 4.340 -0.001 0.000 0.258 338 L C -0.098 176.852 176.870 0.133 0.000 1.025 338 L CA 0.391 55.368 54.840 0.229 0.000 0.901 338 L CB 0.486 42.611 42.059 0.111 0.000 1.210 338 L HN 0.616 nan 8.230 nan 0.000 0.457 339 G N 1.698 110.458 108.800 -0.068 0.000 2.342 339 G HA2 0.475 4.434 3.960 -0.001 0.000 0.297 339 G HA3 0.475 4.434 3.960 -0.001 0.000 0.297 339 G C -2.208 172.573 174.900 -0.198 0.000 1.313 339 G CA -0.261 44.553 45.100 -0.477 0.000 0.830 339 G HN 0.386 nan 8.290 nan 0.000 0.506 340 D N -1.722 118.622 120.400 -0.094 0.000 2.879 340 D HA 0.305 4.945 4.640 -0.001 0.000 0.346 340 D C -1.487 174.941 176.300 0.214 0.000 1.390 340 D CA -0.447 53.683 54.000 0.216 0.000 0.838 340 D CB 1.402 42.288 40.800 0.144 0.000 1.416 340 D HN 0.228 nan 8.370 nan 0.000 0.493 341 D N 0.450 121.038 120.400 0.315 0.000 2.450 341 D HA 0.193 4.832 4.640 -0.001 0.000 0.247 341 D C 0.242 176.690 176.300 0.246 0.000 1.162 341 D CA 0.541 54.706 54.000 0.276 0.000 0.879 341 D CB -0.310 40.755 40.800 0.441 0.000 1.163 341 D HN 0.337 nan 8.370 nan 0.000 0.472 342 F N 0.192 120.194 119.950 0.086 0.000 3.090 342 F HA -0.309 4.218 4.527 -0.001 0.000 0.282 342 F C 1.109 176.945 175.800 0.060 0.000 0.923 342 F CA 0.608 58.640 58.000 0.053 0.000 0.977 342 F CB -0.943 38.078 39.000 0.034 0.000 0.954 342 F HN 0.244 nan 8.300 nan 0.000 0.695 343 R N -0.470 120.112 120.500 0.137 0.000 2.580 343 R HA 0.464 4.804 4.340 -0.001 0.000 0.267 343 R C 0.723 177.054 176.300 0.052 0.000 1.125 343 R CA -0.659 55.416 56.100 -0.042 0.000 1.188 343 R CB -0.092 30.072 30.300 -0.228 0.000 1.155 343 R HN 0.189 nan 8.270 nan 0.000 0.586 344 F N -0.757 119.030 119.950 -0.271 0.000 3.071 344 F HA -0.266 4.261 4.527 -0.001 0.000 0.295 344 F C 1.353 177.116 175.800 -0.062 0.000 0.919 344 F CA 0.997 58.651 58.000 -0.577 0.000 1.050 344 F CB -1.098 37.261 39.000 -1.069 0.000 1.040 344 F HN 0.609 nan 8.300 nan 0.000 0.692 345 K N -0.071 120.386 120.400 0.095 0.000 2.141 345 K HA 0.075 4.394 4.320 -0.001 0.000 0.202 345 K C 0.743 177.484 176.600 0.234 0.000 1.045 345 K CA 0.783 57.195 56.287 0.209 0.000 0.971 345 K CB 0.256 32.848 32.500 0.153 0.000 0.795 345 K HN 0.454 nan 8.250 nan 0.000 0.459 346 Q N 0.796 120.711 119.800 0.191 0.000 2.222 346 Q HA 0.068 4.407 4.340 -0.001 0.000 0.252 346 Q C 0.355 176.541 176.000 0.309 0.000 0.926 346 Q CA -0.471 55.466 55.803 0.223 0.000 0.899 346 Q CB 1.537 30.418 28.738 0.238 0.000 1.250 346 Q HN 0.346 nan 8.270 nan 0.000 0.441 347 N N 0.272 119.124 118.700 0.254 0.000 2.149 347 N HA -0.238 4.501 4.740 -0.001 0.000 0.188 347 N C 1.439 177.102 175.510 0.255 0.000 1.019 347 N CA 2.241 55.441 53.050 0.249 0.000 0.857 347 N CB -0.816 37.766 38.487 0.158 0.000 0.997 347 N HN 0.678 nan 8.380 nan 0.000 0.426 348 T N -2.329 112.371 114.554 0.242 0.000 2.881 348 T HA -0.146 4.204 4.350 -0.001 0.000 0.270 348 T C 1.619 176.511 174.700 0.320 0.000 1.068 348 T CA 1.244 63.508 62.100 0.272 0.000 1.131 348 T CB -0.334 68.685 68.868 0.252 0.000 0.871 348 T HN 0.455 nan 8.240 nan 0.000 0.479 349 E N -0.193 120.145 120.200 0.231 0.000 2.072 349 E HA -0.095 4.255 4.350 -0.001 0.000 0.190 349 E C 1.824 178.330 176.600 -0.156 0.000 0.982 349 E CA 0.726 57.034 56.400 -0.152 0.000 0.803 349 E CB -0.247 29.200 29.700 -0.421 0.000 0.755 349 E HN 0.697 nan 8.360 nan 0.000 0.453 350 W N 1.825 123.045 121.300 -0.134 0.000 2.318 350 W HA -0.215 4.445 4.660 -0.001 0.000 0.313 350 W C 2.140 178.528 176.519 -0.218 0.000 1.221 350 W CA 1.379 58.551 57.345 -0.289 0.000 1.266 350 W CB -0.343 28.614 29.460 -0.838 0.000 1.150 350 W HN 0.194 nan 8.180 nan 0.000 0.496 351 D N -0.589 119.910 120.400 0.165 0.000 2.097 351 D HA -0.172 4.467 4.640 -0.001 0.000 0.195 351 D C 2.287 178.677 176.300 0.151 0.000 0.989 351 D CA 1.497 55.634 54.000 0.227 0.000 0.827 351 D CB -1.002 39.931 40.800 0.222 0.000 0.966 351 D HN 0.020 nan 8.370 nan 0.000 0.456 352 V N 0.897 120.883 119.914 0.120 0.000 2.427 352 V HA -0.205 3.915 4.120 -0.001 0.000 0.248 352 V C 2.225 178.350 176.094 0.052 0.000 1.051 352 V CA 1.546 63.898 62.300 0.087 0.000 1.048 352 V CB -0.063 31.856 31.823 0.161 0.000 0.666 352 V HN 0.155 nan 8.190 nan 0.000 0.456 353 Q N -0.333 119.529 119.800 0.103 0.000 2.020 353 Q HA -0.178 4.162 4.340 -0.001 0.000 0.198 353 Q C 2.347 178.534 176.000 0.312 0.000 0.974 353 Q CA 1.840 57.794 55.803 0.252 0.000 0.829 353 Q CB -0.492 28.367 28.738 0.202 0.000 0.894 353 Q HN 0.606 nan 8.270 nan 0.000 0.433 354 R N 0.508 121.167 120.500 0.266 0.000 2.080 354 R HA -0.116 4.224 4.340 -0.001 0.000 0.236 354 R C 2.238 178.707 176.300 0.281 0.000 1.137 354 R CA 1.486 57.797 56.100 0.352 0.000 0.943 354 R CB -0.114 30.399 30.300 0.354 0.000 0.846 354 R HN 0.065 nan 8.270 nan 0.000 0.431 355 V N 1.952 121.952 119.914 0.143 0.000 2.358 355 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 355 V C 2.028 178.062 176.094 -0.099 0.000 1.047 355 V CA 1.863 64.192 62.300 0.048 0.000 1.035 355 V CB -0.618 31.225 31.823 0.034 0.000 0.658 355 V HN 0.441 nan 8.190 nan 0.000 0.452 356 N N -0.624 117.906 118.700 -0.284 0.000 2.120 356 N HA -0.171 4.569 4.740 -0.001 0.000 0.188 356 N C 1.868 177.051 175.510 -0.545 0.000 1.024 356 N CA 1.681 54.345 53.050 -0.643 0.000 0.852 356 N CB -0.335 37.179 38.487 -1.623 0.000 1.003 356 N HN 0.519 nan 8.380 nan 0.000 0.424 357 Y N 1.973 122.067 120.300 -0.343 0.000 2.224 357 Y HA -0.092 4.457 4.550 -0.001 0.000 0.289 357 Y C 2.393 177.785 175.900 -0.846 0.000 1.146 357 Y CA 1.066 58.849 58.100 -0.529 0.000 1.182 357 Y CB -0.144 38.097 38.460 -0.366 0.000 0.983 357 Y HN 0.139 nan 8.280 nan 0.000 0.524 358 E N -0.213 119.843 120.200 -0.239 0.000 2.085 358 E HA -0.236 4.114 4.350 -0.001 0.000 0.194 358 E C 2.222 178.771 176.600 -0.085 0.000 0.994 358 E CA 1.150 57.492 56.400 -0.097 0.000 0.801 358 E CB -0.153 29.614 29.700 0.112 0.000 0.743 358 E HN 0.467 nan 8.360 nan 0.000 0.453 359 R N 0.304 120.733 120.500 -0.118 0.000 2.092 359 R HA -0.088 4.251 4.340 -0.001 0.000 0.231 359 R C 2.457 178.727 176.300 -0.051 0.000 1.119 359 R CA 0.835 56.895 56.100 -0.067 0.000 0.970 359 R CB -0.247 29.995 30.300 -0.097 0.000 0.864 359 R HN 0.162 nan 8.270 nan 0.000 0.440 360 L N -0.376 120.750 121.223 -0.162 0.000 2.017 360 L HA -0.166 4.173 4.340 -0.001 0.000 0.208 360 L C 2.112 179.033 176.870 0.085 0.000 1.073 360 L CA 1.157 55.940 54.840 -0.095 0.000 0.745 360 L CB -0.412 41.505 42.059 -0.236 0.000 0.894 360 L HN 0.070 nan 8.230 nan 0.000 0.432 361 F N 0.275 120.241 119.950 0.027 0.000 2.134 361 F HA -0.226 4.300 4.527 -0.001 0.000 0.299 361 F C 2.635 178.444 175.800 0.015 0.000 1.097 361 F CA 1.361 59.365 58.000 0.005 0.000 1.264 361 F CB -1.007 37.954 39.000 -0.066 0.000 1.001 361 F HN 0.209 nan 8.300 nan 0.000 0.479 362 E N -0.707 119.623 120.200 0.216 0.000 2.077 362 E HA -0.292 4.058 4.350 -0.001 0.000 0.193 362 E C 2.210 178.896 176.600 0.143 0.000 0.989 362 E CA 1.524 58.011 56.400 0.146 0.000 0.800 362 E CB -0.244 29.524 29.700 0.114 0.000 0.746 362 E HN 0.522 nan 8.360 nan 0.000 0.452 363 H N 0.207 119.325 119.070 0.080 0.000 2.299 363 H HA -0.056 4.500 4.556 -0.001 0.000 0.302 363 H C 2.071 177.479 175.328 0.133 0.000 1.078 363 H CA 2.217 58.322 56.048 0.095 0.000 1.323 363 H CB -0.193 29.622 29.762 0.088 0.000 1.381 363 H HN 0.147 nan 8.280 nan 0.000 0.498 364 I N 0.501 121.148 120.570 0.130 0.000 2.163 364 I HA -0.306 3.863 4.170 -0.001 0.000 0.243 364 I C 1.670 177.813 176.117 0.044 0.000 1.085 364 I CA 1.456 62.796 61.300 0.066 0.000 1.347 364 I CB -0.308 37.681 38.000 -0.018 0.000 1.044 364 I HN 0.379 nan 8.210 nan 0.000 0.408 365 N N 0.251 118.970 118.700 0.032 0.000 2.459 365 N HA -0.102 4.638 4.740 -0.001 0.000 0.181 365 N C 1.795 177.290 175.510 -0.025 0.000 1.046 365 N CA 1.423 54.467 53.050 -0.010 0.000 0.904 365 N CB -0.223 38.251 38.487 -0.021 0.000 0.964 365 N HN 0.409 nan 8.380 nan 0.000 0.444 366 S N -1.039 114.639 115.700 -0.036 0.000 2.535 366 S HA 0.148 4.617 4.470 -0.001 0.000 0.214 366 S C 0.531 175.078 174.600 -0.089 0.000 0.980 366 S CA -0.200 57.970 58.200 -0.050 0.000 0.907 366 S CB 0.301 63.483 63.200 -0.030 0.000 0.790 366 S HN -0.033 nan 8.310 nan 0.000 0.510 367 Q N 1.360 121.077 119.800 -0.139 0.000 2.465 367 Q HA 0.540 4.879 4.340 -0.001 0.000 0.237 367 Q C 0.955 176.814 176.000 -0.235 0.000 1.051 367 Q CA 0.091 55.766 55.803 -0.214 0.000 0.874 367 Q CB 1.197 29.693 28.738 -0.404 0.000 1.207 367 Q HN 0.450 nan 8.270 nan 0.000 0.508 368 A N 2.687 125.440 122.820 -0.111 0.000 1.986 368 A HA -0.275 4.045 4.320 -0.001 0.000 0.220 368 A C 1.639 179.169 177.584 -0.090 0.000 1.171 368 A CA 2.206 54.199 52.037 -0.073 0.000 0.640 368 A CB -0.729 18.256 19.000 -0.026 0.000 0.811 368 A HN 0.895 nan 8.150 nan 0.000 0.451 369 H N -3.243 115.754 119.070 -0.122 0.000 2.457 369 H HA -0.082 4.473 4.556 -0.001 0.000 0.297 369 H C 1.418 176.685 175.328 -0.102 0.000 1.092 369 H CA 1.626 57.585 56.048 -0.149 0.000 1.309 369 H CB -0.614 29.004 29.762 -0.241 0.000 1.382 369 H HN 0.417 nan 8.280 nan 0.000 0.535 370 F N 0.884 120.561 119.950 -0.456 0.000 2.259 370 F HA -0.001 4.525 4.527 -0.001 0.000 0.298 370 F C 0.805 176.556 175.800 -0.081 0.000 1.088 370 F CA 0.809 58.678 58.000 -0.218 0.000 1.358 370 F CB -0.336 38.504 39.000 -0.267 0.000 1.040 370 F HN 0.190 nan 8.300 nan 0.000 0.505 371 N N 0.492 119.242 118.700 0.084 0.000 2.725 371 N HA -0.166 4.573 4.740 -0.001 0.000 0.251 371 N C -1.028 174.472 175.510 -0.016 0.000 1.031 371 N CA 0.453 53.533 53.050 0.050 0.000 0.720 371 N CB -1.521 37.035 38.487 0.115 0.000 0.930 371 N HN 0.036 nan 8.380 nan 0.000 0.543 372 V N 0.662 120.558 119.914 -0.029 0.000 2.735 372 V HA 0.394 4.513 4.120 -0.001 0.000 0.310 372 V C 0.144 176.158 176.094 -0.133 0.000 1.061 372 V CA -0.657 61.575 62.300 -0.114 0.000 0.913 372 V CB 2.460 34.246 31.823 -0.061 0.000 1.005 372 V HN 0.179 nan 8.190 nan 0.000 0.428 373 Q N 3.118 122.783 119.800 -0.225 0.000 2.339 373 Q HA 0.750 5.090 4.340 -0.001 0.000 0.268 373 Q C -0.772 174.976 176.000 -0.421 0.000 1.027 373 Q CA -0.131 55.513 55.803 -0.264 0.000 0.759 373 Q CB 1.591 30.180 28.738 -0.248 0.000 1.244 373 Q HN 0.991 nan 8.270 nan 0.000 0.464 374 A N 4.313 126.870 122.820 -0.438 0.000 2.337 374 A HA 0.907 5.227 4.320 -0.001 0.000 0.329 374 A C -1.170 175.727 177.584 -1.146 0.000 1.146 374 A CA -0.508 51.101 52.037 -0.715 0.000 0.800 374 A CB 1.187 19.946 19.000 -0.401 0.000 1.220 374 A HN 0.764 nan 8.150 nan 0.000 0.472 375 Q N 1.064 120.094 119.800 -1.283 0.000 2.575 375 Q HA 0.443 4.782 4.340 -0.001 0.000 0.290 375 Q C -1.673 173.898 176.000 -0.714 0.000 0.963 375 Q CA -0.697 54.395 55.803 -1.186 0.000 0.783 375 Q CB 0.507 28.918 28.738 -0.545 0.000 1.467 375 Q HN 0.384 nan 8.270 nan 0.000 0.402 376 F N 0.583 120.448 119.950 -0.141 0.000 2.518 376 F HA 0.607 5.133 4.527 -0.001 0.000 0.359 376 F C 1.245 177.093 175.800 0.080 0.000 1.118 376 F CA 1.430 59.475 58.000 0.075 0.000 1.287 376 F CB 0.832 39.931 39.000 0.166 0.000 1.132 376 F HN 0.742 nan 8.300 nan 0.000 0.587 377 G N 0.398 109.380 108.800 0.303 0.000 2.727 377 G HA2 0.622 4.582 3.960 -0.001 0.000 0.289 377 G HA3 0.622 4.582 3.960 -0.001 0.000 0.289 377 G C -1.063 173.839 174.900 0.004 0.000 1.418 377 G CA -0.629 44.585 45.100 0.191 0.000 0.818 377 G HN 0.712 nan 8.290 nan 0.000 0.486 378 T N -1.957 112.519 114.554 -0.131 0.000 2.938 378 T HA 0.473 4.823 4.350 -0.001 0.000 0.285 378 T C 1.254 175.798 174.700 -0.260 0.000 1.028 378 T CA -0.482 61.503 62.100 -0.191 0.000 1.005 378 T CB 1.524 70.294 68.868 -0.164 0.000 1.157 378 T HN 0.527 nan 8.240 nan 0.000 0.550 379 L N 0.555 121.625 121.223 -0.255 0.000 2.046 379 L HA 0.037 4.377 4.340 -0.001 0.000 0.208 379 L C 2.771 179.597 176.870 -0.074 0.000 1.077 379 L CA 1.989 56.705 54.840 -0.207 0.000 0.747 379 L CB -1.152 40.818 42.059 -0.150 0.000 0.896 379 L HN 0.898 nan 8.230 nan 0.000 0.432 380 Q N -0.118 119.665 119.800 -0.029 0.000 2.124 380 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 380 Q C 2.089 178.024 176.000 -0.109 0.000 0.977 380 Q CA 1.932 57.751 55.803 0.027 0.000 0.850 380 Q CB -0.162 28.567 28.738 -0.016 0.000 0.901 380 Q HN 0.625 nan 8.270 nan 0.000 0.429 381 E N -1.200 118.843 120.200 -0.262 0.000 2.077 381 E HA -0.220 4.129 4.350 -0.001 0.000 0.193 381 E C 1.687 177.854 176.600 -0.722 0.000 0.989 381 E CA 1.144 57.265 56.400 -0.464 0.000 0.800 381 E CB -0.301 29.043 29.700 -0.593 0.000 0.746 381 E HN 0.476 nan 8.360 nan 0.000 0.452 382 Y N 0.666 120.441 120.300 -0.874 0.000 2.097 382 Y HA -0.291 4.258 4.550 -0.001 0.000 0.282 382 Y C 1.910 177.528 175.900 -0.470 0.000 1.152 382 Y CA 1.718 59.349 58.100 -0.783 0.000 1.136 382 Y CB -0.523 37.496 38.460 -0.735 0.000 0.975 382 Y HN -0.053 nan 8.280 nan 0.000 0.498 383 F N 0.882 120.579 119.950 -0.422 0.000 2.171 383 F HA -0.179 4.348 4.527 -0.001 0.000 0.300 383 F C 2.245 177.820 175.800 -0.375 0.000 1.090 383 F CA 1.749 59.478 58.000 -0.452 0.000 1.293 383 F CB -0.858 38.067 39.000 -0.124 0.000 1.013 383 F HN 0.105 nan 8.300 nan 0.000 0.486 384 D N 0.054 120.408 120.400 -0.077 0.000 2.123 384 D HA -0.169 4.470 4.640 -0.001 0.000 0.196 384 D C 2.357 178.585 176.300 -0.121 0.000 0.992 384 D CA 1.533 55.493 54.000 -0.066 0.000 0.833 384 D CB -0.617 40.132 40.800 -0.085 0.000 0.954 384 D HN 0.240 nan 8.370 nan 0.000 0.455 385 A N 0.451 123.144 122.820 -0.212 0.000 1.930 385 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 385 A C 2.528 179.994 177.584 -0.196 0.000 1.175 385 A CA 0.979 52.932 52.037 -0.140 0.000 0.627 385 A CB -0.668 18.323 19.000 -0.016 0.000 0.815 385 A HN 0.135 nan 8.150 nan 0.000 0.443 386 V N 0.007 119.673 119.914 -0.414 0.000 2.287 386 V HA -0.276 3.844 4.120 -0.001 0.000 0.248 386 V C 2.434 178.343 176.094 -0.309 0.000 1.053 386 V CA 2.185 64.232 62.300 -0.422 0.000 1.027 386 V CB -1.039 30.353 31.823 -0.719 0.000 0.646 386 V HN 0.658 nan 8.190 nan 0.000 0.447 387 H N -0.278 118.678 119.070 -0.191 0.000 2.462 387 H HA -0.084 4.471 4.556 -0.001 0.000 0.292 387 H C 2.417 177.709 175.328 -0.060 0.000 1.049 387 H CA 1.390 57.356 56.048 -0.138 0.000 1.334 387 H CB -0.113 29.528 29.762 -0.202 0.000 1.404 387 H HN 0.556 nan 8.280 nan 0.000 0.544 388 Q N 0.367 120.185 119.800 0.030 0.000 2.084 388 Q HA -0.089 4.251 4.340 -0.001 0.000 0.202 388 Q C 2.576 178.594 176.000 0.030 0.000 0.978 388 Q CA 1.418 57.234 55.803 0.021 0.000 0.844 388 Q CB -0.036 28.704 28.738 0.002 0.000 0.898 388 Q HN 0.413 nan 8.270 nan 0.000 0.426 389 A N 1.066 123.900 122.820 0.023 0.000 1.877 389 A HA -0.270 4.050 4.320 -0.001 0.000 0.216 389 A C 1.955 179.572 177.584 0.054 0.000 1.186 389 A CA 1.640 53.704 52.037 0.045 0.000 0.620 389 A CB -0.611 18.420 19.000 0.052 0.000 0.822 389 A HN 0.452 nan 8.150 nan 0.000 0.443 390 E N -0.205 120.044 120.200 0.082 0.000 2.058 390 E HA -0.243 4.107 4.350 -0.001 0.000 0.194 390 E C 2.227 178.868 176.600 0.068 0.000 0.997 390 E CA 1.332 57.789 56.400 0.096 0.000 0.801 390 E CB -0.146 29.715 29.700 0.267 0.000 0.746 390 E HN 0.586 nan 8.360 nan 0.000 0.450 391 R N -0.325 120.217 120.500 0.069 0.000 2.148 391 R HA -0.043 4.296 4.340 -0.001 0.000 0.227 391 R C 2.121 178.439 176.300 0.030 0.000 1.103 391 R CA 0.810 56.936 56.100 0.044 0.000 0.983 391 R CB -0.129 30.192 30.300 0.035 0.000 0.874 391 R HN 0.136 nan 8.270 nan 0.000 0.451 392 A N 0.251 123.090 122.820 0.032 0.000 2.235 392 A HA 0.166 4.486 4.320 -0.001 0.000 0.208 392 A C 1.374 178.971 177.584 0.021 0.000 1.172 392 A CA 0.818 52.871 52.037 0.027 0.000 0.786 392 A CB -0.151 18.871 19.000 0.036 0.000 0.804 392 A HN 0.446 nan 8.150 nan 0.000 0.479 393 G N -1.099 107.711 108.800 0.016 0.000 2.136 393 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.242 393 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.242 393 G C 0.735 175.630 174.900 -0.007 0.000 0.989 393 G CA 0.604 45.705 45.100 0.001 0.000 0.682 393 G HN 0.561 nan 8.290 nan 0.000 0.522 394 Q N -0.523 119.279 119.800 0.003 0.000 2.331 394 Q HA 0.515 4.855 4.340 -0.001 0.000 0.203 394 Q C 1.068 177.049 176.000 -0.031 0.000 0.944 394 Q CA 1.435 57.245 55.803 0.012 0.000 0.892 394 Q CB 0.057 28.837 28.738 0.069 0.000 0.983 394 Q HN 1.346 nan 8.270 nan 0.000 0.482 395 A N 0.877 123.637 122.820 -0.100 0.000 2.604 395 A HA 0.461 4.781 4.320 -0.001 0.000 0.295 395 A C -1.583 175.782 177.584 -0.365 0.000 1.067 395 A CA -0.884 51.002 52.037 -0.252 0.000 0.683 395 A CB 1.250 20.038 19.000 -0.352 0.000 1.281 395 A HN 0.285 nan 8.150 nan 0.000 0.407 396 E N 0.790 120.752 120.200 -0.396 0.000 2.256 396 E HA 0.765 5.115 4.350 -0.001 0.000 0.267 396 E C -1.708 174.654 176.600 -0.397 0.000 0.892 396 E CA -0.590 55.625 56.400 -0.309 0.000 0.775 396 E CB 1.798 31.443 29.700 -0.091 0.000 1.207 396 E HN 0.336 nan 8.360 nan 0.000 0.420 397 F N 1.472 121.526 119.950 0.173 0.000 2.480 397 F HA 0.414 4.941 4.527 0.000 0.000 0.329 397 F C -1.899 174.001 175.800 0.166 0.000 1.091 397 F CA -2.340 55.786 58.000 0.209 0.000 0.972 397 F CB 1.215 40.418 39.000 0.338 0.000 1.150 397 F HN 0.336 nan 8.300 nan 0.000 0.467 398 P HA 0.188 nan 4.420 nan 0.000 0.274 398 P C -0.612 176.826 177.300 0.230 0.000 1.237 398 P CA -0.381 62.848 63.100 0.215 0.000 0.793 398 P CB 0.909 32.704 31.700 0.158 0.000 0.977 399 T N -0.486 114.156 114.554 0.148 0.000 2.909 399 T HA 0.661 5.011 4.350 -0.001 0.000 0.286 399 T C -0.263 174.468 174.700 0.052 0.000 1.002 399 T CA -0.785 61.394 62.100 0.132 0.000 1.074 399 T CB 0.981 69.905 68.868 0.093 0.000 0.984 399 T HN 0.457 nan 8.240 nan 0.000 0.495 400 L N 1.864 123.118 121.223 0.053 0.000 2.445 400 L HA 0.711 5.051 4.340 -0.001 0.000 0.262 400 L C -0.646 176.219 176.870 -0.007 0.000 0.974 400 L CA -0.429 54.338 54.840 -0.122 0.000 0.822 400 L CB 2.189 43.941 42.059 -0.511 0.000 1.339 400 L HN 1.105 nan 8.230 nan 0.000 0.409 401 S N 2.542 118.193 115.700 -0.083 0.000 2.632 401 S HA 1.062 5.532 4.470 -0.001 0.000 0.289 401 S C -0.314 174.211 174.600 -0.126 0.000 1.115 401 S CA -0.012 58.191 58.200 0.006 0.000 0.889 401 S CB 2.089 65.261 63.200 -0.046 0.000 1.116 401 S HN 1.660 nan 8.310 nan 0.000 0.486 402 G N 1.006 109.788 108.800 -0.030 0.000 2.331 402 G HA2 0.320 4.279 3.960 -0.001 0.000 0.479 402 G HA3 0.320 4.279 3.960 -0.001 0.000 0.479 402 G C -1.785 173.021 174.900 -0.157 0.000 1.262 402 G CA -0.013 44.974 45.100 -0.188 0.000 1.029 402 G HN 1.273 nan 8.290 nan 0.000 0.487 403 D N -1.723 118.453 120.400 -0.373 0.000 2.687 403 D HA 0.753 5.393 4.640 -0.001 0.000 0.264 403 D C -0.624 175.177 176.300 -0.832 0.000 1.091 403 D CA -1.048 52.746 54.000 -0.343 0.000 1.123 403 D CB 1.109 41.893 40.800 -0.027 0.000 1.407 403 D HN 0.382 nan 8.370 nan 0.000 0.591 404 F N -0.467 119.355 119.950 -0.214 0.000 2.679 404 F HA 0.395 4.922 4.527 -0.001 0.000 0.354 404 F C -0.932 174.692 175.800 -0.293 0.000 1.423 404 F CA -0.648 57.226 58.000 -0.210 0.000 1.141 404 F CB 0.153 39.059 39.000 -0.158 0.000 1.168 404 F HN 0.000 nan 8.300 nan 0.000 0.530 405 F N -0.712 119.416 119.950 0.297 0.000 2.538 405 F HA 0.563 5.089 4.527 -0.000 0.000 0.325 405 F C 0.626 176.679 175.800 0.422 0.000 1.066 405 F CA -1.416 56.825 58.000 0.401 0.000 0.946 405 F CB 1.515 40.745 39.000 0.383 0.000 1.199 405 F HN -0.283 nan 8.300 nan 0.000 0.473 406 T N 1.848 116.775 114.554 0.622 0.000 2.806 406 T HA 0.148 4.498 4.350 -0.001 0.000 0.290 406 T C -0.905 174.252 174.700 0.761 0.000 0.966 406 T CA -0.179 62.353 62.100 0.719 0.000 1.060 406 T CB 0.087 69.248 68.868 0.488 0.000 0.927 406 T HN 0.365 nan 8.240 nan 0.000 0.485 407 Y N 3.066 123.685 120.300 0.531 0.000 2.511 407 Y HA 0.396 4.946 4.550 -0.001 0.000 0.332 407 Y C -0.083 175.862 175.900 0.074 0.000 1.177 407 Y CA -1.114 57.126 58.100 0.234 0.000 1.422 407 Y CB 0.070 38.541 38.460 0.019 0.000 1.271 407 Y HN 0.679 nan 8.280 nan 0.000 0.550 408 A N 5.282 127.684 122.820 -0.697 0.000 2.356 408 A HA 0.365 4.685 4.320 -0.001 0.000 0.310 408 A C 0.084 177.064 177.584 -1.006 0.000 1.075 408 A CA -0.270 51.179 52.037 -0.980 0.000 0.746 408 A CB 0.652 18.805 19.000 -1.411 0.000 1.221 408 A HN 0.805 nan 8.150 nan 0.000 0.443 409 D N 1.647 121.596 120.400 -0.753 0.000 2.305 409 D HA 0.031 4.670 4.640 -0.001 0.000 0.206 409 D C 0.555 176.871 176.300 0.027 0.000 0.974 409 D CA 0.643 54.452 54.000 -0.318 0.000 0.871 409 D CB 0.141 40.856 40.800 -0.142 0.000 0.947 409 D HN 0.727 nan 8.370 nan 0.000 0.516 410 R N -2.292 118.164 120.500 -0.073 0.000 2.687 410 R HA 0.419 4.758 4.340 -0.001 0.000 0.265 410 R C -0.148 176.052 176.300 -0.167 0.000 1.048 410 R CA -0.226 55.687 56.100 -0.312 0.000 0.884 410 R CB 0.901 31.097 30.300 -0.173 0.000 1.258 410 R HN -0.112 nan 8.270 nan 0.000 0.469 411 S N 0.229 115.786 115.700 -0.238 0.000 3.927 411 S HA -0.294 4.175 4.470 -0.001 0.000 0.618 411 S C 0.446 175.124 174.600 0.129 0.000 2.201 411 S CA 1.956 60.152 58.200 -0.007 0.000 4.160 411 S CB -1.049 62.130 63.200 -0.034 0.000 0.266 411 S HN 1.086 nan 8.310 nan 0.000 0.760 412 D N 1.387 121.848 120.400 0.102 0.000 2.388 412 D HA 0.185 4.825 4.640 -0.001 0.000 0.221 412 D C 0.039 176.436 176.300 0.162 0.000 1.133 412 D CA -0.115 54.007 54.000 0.204 0.000 0.831 412 D CB -1.421 39.483 40.800 0.173 0.000 0.962 412 D HN 0.504 nan 8.370 nan 0.000 0.502 413 N N 0.941 119.642 118.700 0.001 0.000 2.739 413 N HA 0.049 4.789 4.740 -0.001 0.000 0.266 413 N C -0.942 174.580 175.510 0.019 0.000 1.168 413 N CA -0.294 52.758 53.050 0.005 0.000 1.055 413 N CB 0.142 38.617 38.487 -0.021 0.000 1.393 413 N HN 0.140 nan 8.380 nan 0.000 0.514 414 Y N 0.270 120.654 120.300 0.141 0.000 2.313 414 Y HA 0.123 4.673 4.550 -0.001 0.000 0.332 414 Y C 0.067 176.162 175.900 0.326 0.000 1.071 414 Y CA -0.691 57.554 58.100 0.242 0.000 1.169 414 Y CB 0.592 39.143 38.460 0.151 0.000 1.192 414 Y HN 0.394 nan 8.280 nan 0.000 0.487 415 W N 2.499 123.924 121.300 0.209 0.000 1.809 415 W HA 0.231 4.890 4.660 -0.000 0.000 0.399 415 W C 0.833 177.392 176.519 0.067 0.000 0.636 415 W CA -0.686 56.808 57.345 0.248 0.000 2.178 415 W CB -0.511 29.192 29.460 0.404 0.000 1.632 415 W HN 0.549 nan 8.180 nan 0.000 0.470 416 S N -2.009 113.725 115.700 0.056 0.000 2.535 416 S HA 0.123 4.593 4.470 -0.001 0.000 0.214 416 S C 1.959 176.293 174.600 -0.444 0.000 0.980 416 S CA 0.350 58.234 58.200 -0.526 0.000 0.907 416 S CB 0.150 63.351 63.200 0.001 0.000 0.790 416 S HN 0.343 nan 8.310 nan 0.000 0.510 417 G N 2.016 110.750 108.800 -0.109 0.000 2.422 417 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.218 417 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.218 417 G C 1.265 176.143 174.900 -0.038 0.000 1.146 417 G CA 0.916 45.963 45.100 -0.088 0.000 0.769 417 G HN 0.794 nan 8.290 nan 0.000 0.547 418 Y N -0.429 119.841 120.300 -0.050 0.000 2.616 418 Y HA 0.140 4.690 4.550 -0.001 0.000 0.296 418 Y C 1.843 177.864 175.900 0.201 0.000 1.154 418 Y CA -0.341 57.809 58.100 0.082 0.000 1.325 418 Y CB -0.392 38.202 38.460 0.224 0.000 1.007 418 Y HN 0.183 nan 8.280 nan 0.000 0.542 419 Y N 0.676 120.760 120.300 -0.360 0.000 2.497 419 Y HA -0.044 4.505 4.550 -0.001 0.000 0.292 419 Y C 1.742 177.591 175.900 -0.085 0.000 1.137 419 Y CA 0.693 58.615 58.100 -0.297 0.000 1.285 419 Y CB -0.783 37.541 38.460 -0.226 0.000 0.991 419 Y HN 0.307 nan 8.280 nan 0.000 0.556 420 T N -2.808 111.811 114.554 0.108 0.000 2.980 420 T HA 0.080 4.429 4.350 -0.001 0.000 0.252 420 T C 0.709 175.493 174.700 0.140 0.000 0.962 420 T CA -0.073 62.092 62.100 0.107 0.000 0.932 420 T CB 0.012 68.914 68.868 0.057 0.000 1.188 420 T HN -0.066 nan 8.240 nan 0.000 0.500 421 S N 2.493 118.273 115.700 0.134 0.000 2.558 421 S HA 0.192 4.661 4.470 -0.001 0.000 0.293 421 S C 0.399 175.129 174.600 0.218 0.000 1.292 421 S CA 0.024 58.314 58.200 0.150 0.000 1.063 421 S CB 0.081 63.355 63.200 0.123 0.000 0.831 421 S HN 0.405 nan 8.310 nan 0.000 0.499 422 R N 1.024 121.669 120.500 0.241 0.000 3.209 422 R HA -0.119 4.220 4.340 -0.001 0.000 0.252 422 R C -2.061 174.483 176.300 0.406 0.000 0.958 422 R CA 0.680 56.996 56.100 0.359 0.000 0.651 422 R CB -1.819 28.721 30.300 0.400 0.000 1.142 422 R HN 0.500 nan 8.270 nan 0.000 0.441 423 P HA -0.204 nan 4.420 nan 0.000 0.223 423 P C 1.107 178.615 177.300 0.346 0.000 1.151 423 P CA 0.890 64.203 63.100 0.355 0.000 0.787 423 P CB -0.016 31.934 31.700 0.417 0.000 0.788 424 Y N 1.511 121.900 120.300 0.148 0.000 2.165 424 Y HA -0.264 4.285 4.550 -0.001 0.000 0.286 424 Y C 2.266 178.154 175.900 -0.020 0.000 1.155 424 Y CA 2.094 60.199 58.100 0.008 0.000 1.164 424 Y CB -0.907 37.433 38.460 -0.200 0.000 0.978 424 Y HN 0.068 nan 8.280 nan 0.000 0.513 425 H N -0.921 118.392 119.070 0.406 0.000 2.470 425 H HA 0.024 4.580 4.556 -0.001 0.000 0.289 425 H C 2.056 177.532 175.328 0.247 0.000 1.033 425 H CA 1.192 57.404 56.048 0.273 0.000 1.331 425 H CB -0.056 29.932 29.762 0.376 0.000 1.414 425 H HN 0.238 nan 8.280 nan 0.000 0.545 426 K N 0.405 121.025 120.400 0.367 0.000 2.063 426 K HA -0.180 4.139 4.320 -0.001 0.000 0.208 426 K C 2.256 178.916 176.600 0.099 0.000 1.048 426 K CA 1.351 57.789 56.287 0.253 0.000 0.928 426 K CB 0.045 32.674 32.500 0.215 0.000 0.713 426 K HN 0.031 nan 8.250 nan 0.000 0.442 427 R N 1.364 121.895 120.500 0.051 0.000 2.075 427 R HA -0.021 4.318 4.340 -0.001 0.000 0.232 427 R C 2.079 178.154 176.300 -0.375 0.000 1.126 427 R CA 1.489 57.550 56.100 -0.065 0.000 0.963 427 R CB -0.458 29.890 30.300 0.080 0.000 0.858 427 R HN 0.167 nan 8.270 nan 0.000 0.435 428 M N 0.297 119.549 119.600 -0.581 0.000 2.149 428 M HA -0.222 4.257 4.480 -0.001 0.000 0.261 428 M C 1.482 177.474 176.300 -0.513 0.000 1.064 428 M CA 2.455 57.185 55.300 -0.951 0.000 1.102 428 M CB -0.354 31.860 32.600 -0.644 0.000 1.369 428 M HN 0.297 nan 8.290 nan 0.000 0.408 429 D N -0.350 119.927 120.400 -0.206 0.000 2.116 429 D HA -0.220 4.420 4.640 -0.001 0.000 0.193 429 D C 1.887 178.113 176.300 -0.123 0.000 0.998 429 D CA 1.466 55.440 54.000 -0.042 0.000 0.836 429 D CB 0.119 41.036 40.800 0.195 0.000 0.951 429 D HN 0.223 nan 8.370 nan 0.000 0.449 430 R N 0.017 120.421 120.500 -0.160 0.000 2.115 430 R HA 0.001 4.341 4.340 -0.001 0.000 0.226 430 R C 2.423 178.588 176.300 -0.225 0.000 1.100 430 R CA 0.409 56.407 56.100 -0.169 0.000 0.980 430 R CB -0.923 29.295 30.300 -0.137 0.000 0.875 430 R HN 0.259 nan 8.270 nan 0.000 0.445 431 V N 1.537 121.252 119.914 -0.331 0.000 2.261 431 V HA -0.219 3.900 4.120 -0.001 0.000 0.246 431 V C 2.374 178.365 176.094 -0.172 0.000 1.047 431 V CA 1.562 63.666 62.300 -0.327 0.000 1.015 431 V CB -0.604 30.834 31.823 -0.642 0.000 0.642 431 V HN 0.136 nan 8.190 nan 0.000 0.446 432 L N -0.379 120.721 121.223 -0.205 0.000 2.083 432 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 432 L C 2.322 179.141 176.870 -0.084 0.000 1.083 432 L CA 2.044 56.830 54.840 -0.090 0.000 0.752 432 L CB -0.701 41.280 42.059 -0.130 0.000 0.899 432 L HN 0.340 nan 8.230 nan 0.000 0.433 433 M N -1.287 118.237 119.600 -0.127 0.000 2.088 433 M HA -0.341 4.138 4.480 -0.001 0.000 0.256 433 M C 2.380 178.581 176.300 -0.165 0.000 1.071 433 M CA 2.471 57.679 55.300 -0.154 0.000 1.097 433 M CB -0.420 32.056 32.600 -0.207 0.000 1.315 433 M HN 0.563 nan 8.290 nan 0.000 0.406 434 H N -0.780 118.132 119.070 -0.262 0.000 2.363 434 H HA -0.148 4.407 4.556 -0.001 0.000 0.301 434 H C 1.416 176.591 175.328 -0.255 0.000 1.074 434 H CA 2.324 58.189 56.048 -0.305 0.000 1.354 434 H CB -0.331 29.173 29.762 -0.430 0.000 1.397 434 H HN 0.494 nan 8.280 nan 0.000 0.516 435 Y N -0.552 119.613 120.300 -0.225 0.000 2.293 435 Y HA -0.110 4.440 4.550 -0.001 0.000 0.291 435 Y C 2.675 178.457 175.900 -0.197 0.000 1.137 435 Y CA 1.009 58.974 58.100 -0.225 0.000 1.202 435 Y CB -0.442 37.952 38.460 -0.110 0.000 0.990 435 Y HN 0.113 nan 8.280 nan 0.000 0.537 436 V N 0.235 120.122 119.914 -0.044 0.000 2.295 436 V HA -0.317 3.803 4.120 -0.001 0.000 0.246 436 V C 2.542 178.574 176.094 -0.104 0.000 1.049 436 V CA 2.215 64.471 62.300 -0.073 0.000 1.024 436 V CB -0.583 31.189 31.823 -0.085 0.000 0.648 436 V HN 0.315 nan 8.190 nan 0.000 0.447 437 R N 0.420 120.826 120.500 -0.157 0.000 2.083 437 R HA -0.188 4.151 4.340 -0.001 0.000 0.237 437 R C 2.253 178.492 176.300 -0.102 0.000 1.137 437 R CA 1.932 57.949 56.100 -0.138 0.000 0.951 437 R CB -0.506 29.697 30.300 -0.161 0.000 0.851 437 R HN 0.462 nan 8.270 nan 0.000 0.434 438 A N 0.623 123.335 122.820 -0.180 0.000 1.930 438 A HA -0.048 4.272 4.320 -0.001 0.000 0.217 438 A C 2.368 179.960 177.584 0.014 0.000 1.175 438 A CA 1.576 53.599 52.037 -0.022 0.000 0.627 438 A CB -0.719 18.242 19.000 -0.065 0.000 0.815 438 A HN 0.577 nan 8.150 nan 0.000 0.443 439 A N -0.159 122.658 122.820 -0.006 0.000 1.898 439 A HA -0.148 4.172 4.320 -0.001 0.000 0.216 439 A C 1.936 179.493 177.584 -0.045 0.000 1.181 439 A CA 1.537 53.565 52.037 -0.016 0.000 0.620 439 A CB -0.486 18.498 19.000 -0.026 0.000 0.819 439 A HN 0.618 nan 8.150 nan 0.000 0.442 440 E N -0.978 119.187 120.200 -0.058 0.000 2.072 440 E HA -0.190 4.159 4.350 -0.001 0.000 0.191 440 E C 2.060 178.608 176.600 -0.086 0.000 0.985 440 E CA 1.325 57.678 56.400 -0.079 0.000 0.801 440 E CB -0.250 29.401 29.700 -0.083 0.000 0.750 440 E HN 0.748 nan 8.360 nan 0.000 0.452 441 M N 0.723 120.296 119.600 -0.046 0.000 2.099 441 M HA -0.140 4.340 4.480 -0.001 0.000 0.262 441 M C 2.163 178.469 176.300 0.009 0.000 1.067 441 M CA 1.324 56.597 55.300 -0.046 0.000 1.124 441 M CB 0.045 32.709 32.600 0.107 0.000 1.353 441 M HN 0.073 nan 8.290 nan 0.000 0.410 442 L N 0.073 121.360 121.223 0.107 0.000 2.079 442 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 442 L C 2.616 179.653 176.870 0.279 0.000 1.081 442 L CA 1.711 56.673 54.840 0.204 0.000 0.752 442 L CB -0.529 41.511 42.059 -0.032 0.000 0.896 442 L HN 0.514 nan 8.230 nan 0.000 0.433 443 S N -1.031 114.754 115.700 0.141 0.000 2.527 443 S HA 0.074 4.544 4.470 -0.001 0.000 0.222 443 S C 1.970 176.742 174.600 0.287 0.000 0.985 443 S CA 0.373 58.722 58.200 0.249 0.000 0.921 443 S CB 0.031 63.188 63.200 -0.072 0.000 0.772 443 S HN 0.292 nan 8.310 nan 0.000 0.529 444 A N 0.929 123.748 122.820 -0.002 0.000 2.015 444 A HA 0.092 4.412 4.320 -0.001 0.000 0.219 444 A C 1.693 179.175 177.584 -0.171 0.000 1.163 444 A CA 0.766 52.702 52.037 -0.169 0.000 0.646 444 A CB -1.173 17.577 19.000 -0.416 0.000 0.806 444 A HN 0.760 nan 8.150 nan 0.000 0.448 445 W N -0.623 120.686 121.300 0.015 0.000 2.392 445 W HA -0.022 4.638 4.660 -0.001 0.000 0.279 445 W C 0.875 177.188 176.519 -0.344 0.000 1.225 445 W CA 1.015 58.271 57.345 -0.147 0.000 1.233 445 W CB -0.169 29.163 29.460 -0.214 0.000 1.122 445 W HN 0.397 nan 8.180 nan 0.000 0.561 446 H N -2.294 116.836 119.070 0.099 0.000 2.731 446 H HA 0.374 4.930 4.556 -0.001 0.000 0.368 446 H C -0.335 174.897 175.328 -0.160 0.000 1.168 446 H CA -0.935 55.016 56.048 -0.162 0.000 1.181 446 H CB 1.609 31.038 29.762 -0.556 0.000 1.743 446 H HN -0.434 nan 8.280 nan 0.000 0.547 447 S N 0.922 116.586 115.700 -0.060 0.000 2.537 447 S HA 0.184 4.654 4.470 -0.001 0.000 0.275 447 S C -1.123 173.364 174.600 -0.188 0.000 1.272 447 S CA -0.581 57.600 58.200 -0.033 0.000 1.050 447 S CB 0.205 63.395 63.200 -0.017 0.000 0.961 447 S HN 0.324 nan 8.310 nan 0.000 0.496 448 W N 1.514 122.811 121.300 -0.004 0.000 2.632 448 W HA 0.346 5.006 4.660 -0.001 0.000 0.328 448 W C 0.043 176.516 176.519 -0.077 0.000 1.044 448 W CA -0.913 56.400 57.345 -0.054 0.000 1.225 448 W CB 0.532 29.925 29.460 -0.111 0.000 1.396 448 W HN 0.569 nan 8.180 nan 0.000 0.499 449 D N 0.862 121.335 120.400 0.123 0.000 2.449 449 D HA 0.133 4.773 4.640 -0.001 0.000 0.236 449 D C 1.661 177.964 176.300 0.005 0.000 1.149 449 D CA 1.203 55.242 54.000 0.065 0.000 0.878 449 D CB 1.204 42.069 40.800 0.110 0.000 1.198 449 D HN 0.560 nan 8.370 nan 0.000 0.446 450 G N 2.896 111.707 108.800 0.019 0.000 2.450 450 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.220 450 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.220 450 G C 1.306 176.188 174.900 -0.030 0.000 1.130 450 G CA 0.455 45.554 45.100 -0.003 0.000 0.760 450 G HN 0.474 nan 8.290 nan 0.000 0.557 451 M N 1.034 120.630 119.600 -0.007 0.000 2.460 451 M HA 0.107 4.587 4.480 -0.001 0.000 0.263 451 M C 2.745 178.992 176.300 -0.087 0.000 1.071 451 M CA 0.703 56.024 55.300 0.035 0.000 1.096 451 M CB -0.881 31.830 32.600 0.185 0.000 1.408 451 M HN 0.317 nan 8.290 nan 0.000 0.463 452 A N -0.183 122.362 122.820 -0.458 0.000 2.119 452 A HA -0.020 4.300 4.320 -0.001 0.000 0.216 452 A C 1.237 178.627 177.584 -0.324 0.000 1.152 452 A CA 0.356 51.912 52.037 -0.801 0.000 0.708 452 A CB -0.313 17.999 19.000 -1.147 0.000 0.805 452 A HN 0.583 nan 8.150 nan 0.000 0.460 453 R N -1.724 118.659 120.500 -0.195 0.000 3.770 453 R HA -0.177 4.163 4.340 -0.001 0.000 0.305 453 R C 0.682 176.877 176.300 -0.175 0.000 1.184 453 R CA 0.747 56.770 56.100 -0.127 0.000 0.823 453 R CB -2.184 28.074 30.300 -0.070 0.000 1.285 453 R HN 0.479 nan 8.270 nan 0.000 0.499 454 I N 0.547 120.963 120.570 -0.256 0.000 2.163 454 I HA -0.190 3.980 4.170 -0.001 0.000 0.240 454 I C 2.145 178.141 176.117 -0.201 0.000 1.081 454 I CA 1.694 62.796 61.300 -0.330 0.000 1.353 454 I CB -0.687 36.965 38.000 -0.580 0.000 1.054 454 I HN 0.205 nan 8.210 nan 0.000 0.407 455 E N 0.763 120.882 120.200 -0.134 0.000 2.085 455 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 455 E C 2.090 178.645 176.600 -0.075 0.000 0.994 455 E CA 1.284 57.633 56.400 -0.085 0.000 0.801 455 E CB -0.242 29.431 29.700 -0.046 0.000 0.743 455 E HN 0.477 nan 8.360 nan 0.000 0.453 456 E N 0.428 120.586 120.200 -0.070 0.000 2.038 456 E HA -0.267 4.083 4.350 -0.001 0.000 0.195 456 E C 1.965 178.525 176.600 -0.066 0.000 1.000 456 E CA 1.160 57.527 56.400 -0.055 0.000 0.803 456 E CB 0.084 29.756 29.700 -0.047 0.000 0.750 456 E HN -0.026 nan 8.360 nan 0.000 0.448 457 R N 0.264 120.712 120.500 -0.086 0.000 2.092 457 R HA -0.003 4.337 4.340 -0.001 0.000 0.231 457 R C 2.394 178.640 176.300 -0.090 0.000 1.119 457 R CA 0.903 56.952 56.100 -0.085 0.000 0.970 457 R CB -0.472 29.768 30.300 -0.099 0.000 0.864 457 R HN 0.284 nan 8.270 nan 0.000 0.440 458 L N -0.085 121.075 121.223 -0.104 0.000 2.093 458 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 458 L C 2.373 179.185 176.870 -0.097 0.000 1.085 458 L CA 1.469 56.249 54.840 -0.101 0.000 0.755 458 L CB -0.423 41.571 42.059 -0.108 0.000 0.904 458 L HN 0.303 nan 8.230 nan 0.000 0.435 459 E N 0.179 120.326 120.200 -0.088 0.000 2.077 459 E HA -0.302 4.048 4.350 -0.001 0.000 0.193 459 E C 2.211 178.742 176.600 -0.113 0.000 0.989 459 E CA 1.297 57.638 56.400 -0.097 0.000 0.800 459 E CB -0.011 29.652 29.700 -0.061 0.000 0.746 459 E HN 0.431 nan 8.360 nan 0.000 0.452 460 Q N 0.070 119.821 119.800 -0.082 0.000 2.061 460 Q HA -0.227 4.112 4.340 -0.001 0.000 0.204 460 Q C 2.099 178.050 176.000 -0.081 0.000 0.984 460 Q CA 1.766 57.527 55.803 -0.070 0.000 0.846 460 Q CB -0.254 28.455 28.738 -0.049 0.000 0.902 460 Q HN 0.356 nan 8.270 nan 0.000 0.421 461 A N 1.047 123.818 122.820 -0.082 0.000 1.877 461 A HA -0.186 4.133 4.320 -0.001 0.000 0.216 461 A C 2.093 179.618 177.584 -0.098 0.000 1.186 461 A CA 1.494 53.484 52.037 -0.078 0.000 0.620 461 A CB -0.528 18.429 19.000 -0.072 0.000 0.822 461 A HN 0.387 nan 8.150 nan 0.000 0.443 462 R N -0.812 119.610 120.500 -0.129 0.000 2.096 462 R HA -0.097 4.243 4.340 -0.001 0.000 0.235 462 R C 2.446 178.601 176.300 -0.242 0.000 1.127 462 R CA 1.598 57.597 56.100 -0.168 0.000 0.968 462 R CB -0.270 29.919 30.300 -0.184 0.000 0.861 462 R HN 0.493 nan 8.270 nan 0.000 0.440 463 R N 0.238 120.565 120.500 -0.289 0.000 2.090 463 R HA -0.061 4.278 4.340 -0.001 0.000 0.228 463 R C 2.092 178.327 176.300 -0.108 0.000 1.110 463 R CA 0.904 56.764 56.100 -0.399 0.000 0.973 463 R CB 0.027 30.113 30.300 -0.358 0.000 0.869 463 R HN 0.187 nan 8.270 nan 0.000 0.440 464 E N 0.828 121.000 120.200 -0.047 0.000 2.072 464 E HA -0.172 4.178 4.350 -0.001 0.000 0.191 464 E C 1.979 178.614 176.600 0.058 0.000 0.985 464 E CA 0.771 57.189 56.400 0.030 0.000 0.801 464 E CB -0.228 29.481 29.700 0.015 0.000 0.750 464 E HN 0.147 nan 8.360 nan 0.000 0.452 465 L N 1.276 122.503 121.223 0.006 0.000 2.056 465 L HA -0.079 4.260 4.340 -0.001 0.000 0.207 465 L C 2.177 179.093 176.870 0.078 0.000 1.078 465 L CA 1.594 56.456 54.840 0.037 0.000 0.749 465 L CB -0.633 41.414 42.059 -0.020 0.000 0.901 465 L HN -0.096 nan 8.230 nan 0.000 0.433 466 S N -0.374 115.336 115.700 0.017 0.000 2.370 466 S HA -0.199 4.271 4.470 -0.001 0.000 0.226 466 S C 1.861 176.602 174.600 0.234 0.000 1.033 466 S CA 1.610 59.852 58.200 0.069 0.000 1.011 466 S CB -0.609 62.528 63.200 -0.105 0.000 0.852 466 S HN 0.453 nan 8.310 nan 0.000 0.457 467 L N 0.634 122.037 121.223 0.300 0.000 2.042 467 L HA -0.052 4.288 4.340 -0.001 0.000 0.210 467 L C 1.900 178.879 176.870 0.181 0.000 1.076 467 L CA 1.644 56.659 54.840 0.291 0.000 0.749 467 L CB -0.592 41.615 42.059 0.246 0.000 0.893 467 L HN 0.295 nan 8.230 nan 0.000 0.432 468 F N -0.364 119.562 119.950 -0.039 0.000 2.451 468 F HA -0.132 4.395 4.527 -0.001 0.000 0.299 468 F C 2.199 177.923 175.800 -0.126 0.000 1.101 468 F CA 0.831 58.697 58.000 -0.223 0.000 1.436 468 F CB -0.217 38.687 39.000 -0.160 0.000 1.074 468 F HN 0.247 nan 8.300 nan 0.000 0.553 469 Q N -0.409 119.359 119.800 -0.053 0.000 2.437 469 Q HA -0.149 4.190 4.340 -0.001 0.000 0.210 469 Q C 0.555 176.499 176.000 -0.093 0.000 0.972 469 Q CA 0.485 56.235 55.803 -0.089 0.000 0.903 469 Q CB -1.319 27.435 28.738 0.026 0.000 0.967 469 Q HN 0.511 nan 8.270 nan 0.000 0.486 470 H N 2.008 120.974 119.070 -0.173 0.000 3.073 470 H HA -0.121 4.435 4.556 -0.001 0.000 0.340 470 H C 1.373 176.561 175.328 -0.233 0.000 1.054 470 H CA 0.798 56.743 56.048 -0.172 0.000 1.372 470 H CB 0.553 30.232 29.762 -0.139 0.000 1.314 470 H HN 0.249 nan 8.280 nan 0.000 0.603 471 H N 2.068 120.720 119.070 -0.697 0.000 2.567 471 H HA -0.027 4.529 4.556 -0.001 0.000 0.276 471 H C -0.293 174.616 175.328 -0.697 0.000 1.016 471 H CA 0.815 56.423 56.048 -0.732 0.000 1.186 471 H CB 0.304 29.646 29.762 -0.700 0.000 1.351 471 H HN 0.619 nan 8.280 nan 0.000 0.605 472 D N 0.372 120.095 120.400 -1.127 0.000 2.469 472 D HA 0.129 4.769 4.640 -0.001 0.000 0.215 472 D C 1.612 177.905 176.300 -0.012 0.000 1.154 472 D CA 0.336 54.204 54.000 -0.220 0.000 0.832 472 D CB 0.823 41.726 40.800 0.172 0.000 1.008 472 D HN 0.527 nan 8.370 nan 0.000 0.506 473 G N 1.286 109.869 108.800 -0.361 0.000 2.600 473 G HA2 -0.004 3.956 3.960 -0.001 0.000 0.225 473 G HA3 -0.004 3.956 3.960 -0.001 0.000 0.225 473 G C 1.348 175.668 174.900 -0.966 0.000 1.623 473 G CA -0.218 44.414 45.100 -0.781 0.000 0.903 473 G HN 0.196 nan 8.290 nan 0.000 0.574 474 I N 2.006 121.733 120.570 -1.404 0.000 2.423 474 I HA -0.194 3.976 4.170 -0.001 0.000 0.254 474 I C 2.906 178.931 176.117 -0.153 0.000 1.151 474 I CA 2.099 62.885 61.300 -0.857 0.000 1.421 474 I CB -0.050 37.619 38.000 -0.552 0.000 1.079 474 I HN 0.384 nan 8.210 nan 0.000 0.431 475 T N -1.618 112.895 114.554 -0.069 0.000 3.007 475 T HA -0.001 4.348 4.350 -0.001 0.000 0.270 475 T C 1.562 176.408 174.700 0.244 0.000 1.107 475 T CA 0.682 62.926 62.100 0.241 0.000 1.118 475 T CB -0.596 68.417 68.868 0.241 0.000 0.889 475 T HN 0.654 nan 8.240 nan 0.000 0.506 476 G N 1.388 110.288 108.800 0.166 0.000 2.176 476 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.252 476 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.252 476 G C 0.565 175.541 174.900 0.126 0.000 1.024 476 G CA 0.694 45.910 45.100 0.195 0.000 0.755 476 G HN 1.175 nan 8.290 nan 0.000 0.507 477 T N -3.430 111.198 114.554 0.124 0.000 3.215 477 T HA 0.737 5.087 4.350 -0.001 0.000 0.271 477 T C 0.860 175.774 174.700 0.356 0.000 1.012 477 T CA 1.041 63.163 62.100 0.036 0.000 0.899 477 T CB 0.961 69.713 68.868 -0.194 0.000 1.089 477 T HN 1.570 nan 8.240 nan 0.000 0.552 478 A N 1.289 124.322 122.820 0.355 0.000 2.281 478 A HA 0.693 5.013 4.320 -0.001 0.000 0.329 478 A C 0.153 177.838 177.584 0.168 0.000 1.122 478 A CA -0.965 51.306 52.037 0.390 0.000 0.850 478 A CB 0.877 20.147 19.000 0.450 0.000 1.207 478 A HN 0.408 nan 8.150 nan 0.000 0.495 479 K N -0.079 120.353 120.400 0.052 0.000 2.336 479 K HA 0.135 4.454 4.320 -0.001 0.000 0.262 479 K C 1.069 177.687 176.600 0.030 0.000 0.992 479 K CA 0.391 56.691 56.287 0.021 0.000 0.927 479 K CB 0.332 32.839 32.500 0.011 0.000 0.956 479 K HN 0.737 nan 8.250 nan 0.000 0.495 480 T N 1.407 116.006 114.554 0.074 0.000 2.653 480 T HA -0.212 4.138 4.350 -0.001 0.000 0.268 480 T C 1.689 176.430 174.700 0.068 0.000 1.035 480 T CA 1.885 64.031 62.100 0.077 0.000 1.154 480 T CB -0.428 68.491 68.868 0.085 0.000 0.862 480 T HN 0.702 nan 8.240 nan 0.000 0.441 481 H N 0.625 119.693 119.070 -0.003 0.000 2.491 481 H HA 0.082 4.638 4.556 -0.001 0.000 0.290 481 H C 2.018 177.324 175.328 -0.036 0.000 1.050 481 H CA 0.938 56.977 56.048 -0.015 0.000 1.309 481 H CB -0.782 28.966 29.762 -0.022 0.000 1.392 481 H HN 0.285 nan 8.280 nan 0.000 0.554 482 V N 1.155 120.738 119.914 -0.551 0.000 2.407 482 V HA -0.162 3.958 4.120 -0.001 0.000 0.245 482 V C 3.046 178.964 176.094 -0.293 0.000 1.041 482 V CA 1.075 63.077 62.300 -0.497 0.000 1.040 482 V CB -0.441 31.139 31.823 -0.405 0.000 0.671 482 V HN 0.233 nan 8.190 nan 0.000 0.455 483 V N 0.060 119.937 119.914 -0.062 0.000 2.332 483 V HA -0.246 3.874 4.120 -0.001 0.000 0.248 483 V C 2.470 178.555 176.094 -0.016 0.000 1.055 483 V CA 1.993 64.314 62.300 0.035 0.000 1.038 483 V CB -0.570 31.237 31.823 -0.028 0.000 0.651 483 V HN 0.415 nan 8.190 nan 0.000 0.450 484 V N 0.410 120.320 119.914 -0.007 0.000 2.343 484 V HA -0.317 3.803 4.120 -0.001 0.000 0.247 484 V C 2.313 178.429 176.094 0.036 0.000 1.051 484 V CA 2.476 64.802 62.300 0.043 0.000 1.036 484 V CB -0.715 31.142 31.823 0.057 0.000 0.654 484 V HN 0.649 nan 8.190 nan 0.000 0.451 485 D N -1.052 119.324 120.400 -0.039 0.000 2.104 485 D HA -0.215 4.425 4.640 -0.001 0.000 0.194 485 D C 2.010 178.326 176.300 0.027 0.000 0.994 485 D CA 1.576 55.548 54.000 -0.046 0.000 0.830 485 D CB -0.178 40.536 40.800 -0.144 0.000 0.959 485 D HN 0.492 nan 8.370 nan 0.000 0.452 486 Y N 0.990 121.334 120.300 0.073 0.000 2.165 486 Y HA -0.089 4.460 4.550 -0.001 0.000 0.286 486 Y C 2.452 178.335 175.900 -0.028 0.000 1.155 486 Y CA 1.336 59.477 58.100 0.067 0.000 1.164 486 Y CB -0.818 37.753 38.460 0.186 0.000 0.978 486 Y HN 0.160 nan 8.280 nan 0.000 0.513 487 E N 0.093 120.401 120.200 0.180 0.000 2.051 487 E HA -0.262 4.088 4.350 -0.001 0.000 0.192 487 E C 2.020 178.706 176.600 0.144 0.000 0.991 487 E CA 1.478 58.001 56.400 0.204 0.000 0.799 487 E CB -0.061 29.843 29.700 0.340 0.000 0.748 487 E HN 0.580 nan 8.360 nan 0.000 0.449 488 Q N -0.067 119.803 119.800 0.117 0.000 2.084 488 Q HA -0.161 4.178 4.340 -0.001 0.000 0.202 488 Q C 2.344 178.386 176.000 0.070 0.000 0.978 488 Q CA 1.403 57.257 55.803 0.086 0.000 0.844 488 Q CB -0.086 28.692 28.738 0.068 0.000 0.898 488 Q HN 0.196 nan 8.270 nan 0.000 0.426 489 R N 0.104 120.650 120.500 0.076 0.000 2.073 489 R HA -0.079 4.260 4.340 -0.001 0.000 0.234 489 R C 2.278 178.600 176.300 0.036 0.000 1.134 489 R CA 1.513 57.651 56.100 0.063 0.000 0.952 489 R CB -0.182 30.178 30.300 0.101 0.000 0.850 489 R HN 0.298 nan 8.270 nan 0.000 0.433 490 M N 0.271 119.884 119.600 0.021 0.000 2.229 490 M HA -0.182 4.298 4.480 -0.001 0.000 0.264 490 M C 2.177 178.478 176.300 0.001 0.000 1.063 490 M CA 1.586 56.869 55.300 -0.029 0.000 1.114 490 M CB -0.202 32.325 32.600 -0.123 0.000 1.387 490 M HN 0.219 nan 8.290 nan 0.000 0.420 491 Q N 0.083 119.912 119.800 0.049 0.000 2.084 491 Q HA -0.174 4.165 4.340 -0.001 0.000 0.202 491 Q C 1.977 177.992 176.000 0.025 0.000 0.978 491 Q CA 1.098 56.940 55.803 0.065 0.000 0.844 491 Q CB -0.038 28.754 28.738 0.091 0.000 0.898 491 Q HN 0.407 nan 8.270 nan 0.000 0.426 492 E N 0.399 120.610 120.200 0.019 0.000 2.110 492 E HA -0.150 4.200 4.350 -0.001 0.000 0.193 492 E C 1.897 178.487 176.600 -0.017 0.000 0.988 492 E CA 1.113 57.514 56.400 0.001 0.000 0.804 492 E CB -0.230 29.474 29.700 0.007 0.000 0.745 492 E HN 0.352 nan 8.360 nan 0.000 0.458 493 A N 1.078 123.886 122.820 -0.020 0.000 1.902 493 A HA -0.124 4.196 4.320 -0.001 0.000 0.217 493 A C 2.394 179.948 177.584 -0.050 0.000 1.181 493 A CA 0.997 53.012 52.037 -0.037 0.000 0.623 493 A CB -0.681 18.295 19.000 -0.039 0.000 0.818 493 A HN 0.185 nan 8.150 nan 0.000 0.443 494 L N -0.714 120.478 121.223 -0.051 0.000 2.046 494 L HA -0.217 4.123 4.340 -0.001 0.000 0.208 494 L C 2.597 179.401 176.870 -0.110 0.000 1.077 494 L CA 1.733 56.520 54.840 -0.090 0.000 0.747 494 L CB -0.391 41.626 42.059 -0.069 0.000 0.896 494 L HN 0.363 nan 8.230 nan 0.000 0.432 495 K N -0.172 120.187 120.400 -0.069 0.000 2.097 495 K HA -0.129 4.191 4.320 -0.001 0.000 0.205 495 K C 2.243 178.803 176.600 -0.066 0.000 1.050 495 K CA 1.254 57.502 56.287 -0.066 0.000 0.938 495 K CB -0.240 32.236 32.500 -0.041 0.000 0.718 495 K HN 0.283 nan 8.250 nan 0.000 0.442 496 A N 1.154 123.939 122.820 -0.060 0.000 1.877 496 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 496 A C 2.436 179.978 177.584 -0.070 0.000 1.186 496 A CA 1.576 53.576 52.037 -0.062 0.000 0.620 496 A CB -1.040 17.924 19.000 -0.059 0.000 0.822 496 A HN 0.413 nan 8.150 nan 0.000 0.443 497 C N -0.937 118.320 119.300 -0.073 0.000 2.429 497 C HA -0.144 4.315 4.460 -0.001 0.000 0.277 497 C C 2.919 177.873 174.990 -0.059 0.000 1.262 497 C CA 1.214 60.195 59.018 -0.062 0.000 1.733 497 C CB -1.496 26.219 27.740 -0.041 0.000 2.010 497 C HN 0.687 nan 8.230 nan 0.000 0.483 498 Q N -0.187 119.550 119.800 -0.105 0.000 2.061 498 Q HA -0.283 4.057 4.340 -0.001 0.000 0.204 498 Q C 2.206 178.213 176.000 0.012 0.000 0.984 498 Q CA 1.938 57.697 55.803 -0.074 0.000 0.846 498 Q CB -0.360 28.304 28.738 -0.123 0.000 0.902 498 Q HN 0.626 nan 8.270 nan 0.000 0.421 499 M N 0.294 119.883 119.600 -0.019 0.000 2.080 499 M HA -0.149 4.331 4.480 -0.001 0.000 0.260 499 M C 1.935 178.232 176.300 -0.005 0.000 1.068 499 M CA 1.570 56.868 55.300 -0.003 0.000 1.109 499 M CB -0.379 32.203 32.600 -0.030 0.000 1.342 499 M HN 0.022 nan 8.290 nan 0.000 0.405 500 V N 0.173 120.051 119.914 -0.061 0.000 2.343 500 V HA -0.303 3.816 4.120 -0.001 0.000 0.247 500 V C 2.435 178.492 176.094 -0.062 0.000 1.051 500 V CA 2.199 64.418 62.300 -0.136 0.000 1.036 500 V CB -0.727 30.992 31.823 -0.172 0.000 0.654 500 V HN 0.555 nan 8.190 nan 0.000 0.451 501 M N 0.287 119.909 119.600 0.036 0.000 2.080 501 M HA -0.266 4.214 4.480 -0.001 0.000 0.260 501 M C 2.381 178.746 176.300 0.108 0.000 1.068 501 M CA 2.447 57.821 55.300 0.124 0.000 1.109 501 M CB -0.462 32.328 32.600 0.317 0.000 1.342 501 M HN 0.553 nan 8.290 nan 0.000 0.405 502 Q N -0.281 119.649 119.800 0.217 0.000 2.123 502 Q HA -0.117 4.222 4.340 -0.001 0.000 0.199 502 Q C 1.812 177.990 176.000 0.296 0.000 0.966 502 Q CA 1.104 57.057 55.803 0.249 0.000 0.845 502 Q CB -0.616 28.364 28.738 0.403 0.000 0.907 502 Q HN 0.408 nan 8.270 nan 0.000 0.439 503 Q N 0.647 120.609 119.800 0.270 0.000 2.096 503 Q HA -0.085 4.254 4.340 -0.001 0.000 0.204 503 Q C 2.277 178.523 176.000 0.410 0.000 0.982 503 Q CA 1.779 57.814 55.803 0.386 0.000 0.850 503 Q CB -0.252 28.626 28.738 0.235 0.000 0.901 503 Q HN 0.516 nan 8.270 nan 0.000 0.422 504 S N 0.401 116.233 115.700 0.221 0.000 2.368 504 S HA -0.090 4.380 4.470 -0.001 0.000 0.224 504 S C 2.238 176.886 174.600 0.081 0.000 1.029 504 S CA 1.076 59.452 58.200 0.294 0.000 0.988 504 S CB -0.255 63.056 63.200 0.186 0.000 0.838 504 S HN 0.132 nan 8.310 nan 0.000 0.462 505 V N 0.949 120.786 119.914 -0.130 0.000 2.287 505 V HA -0.210 3.910 4.120 -0.001 0.000 0.248 505 V C 2.028 178.105 176.094 -0.029 0.000 1.053 505 V CA 1.956 64.058 62.300 -0.329 0.000 1.027 505 V CB -0.814 30.403 31.823 -1.010 0.000 0.646 505 V HN 0.549 nan 8.190 nan 0.000 0.447 506 Y N 1.269 121.625 120.300 0.094 0.000 2.165 506 Y HA -0.266 4.284 4.550 -0.001 0.000 0.286 506 Y C 2.741 178.718 175.900 0.128 0.000 1.155 506 Y CA 2.252 60.487 58.100 0.224 0.000 1.164 506 Y CB -0.369 38.133 38.460 0.069 0.000 0.978 506 Y HN 0.096 nan 8.280 nan 0.000 0.513 507 R N -0.193 120.210 120.500 -0.161 0.000 2.092 507 R HA -0.090 4.249 4.340 -0.001 0.000 0.231 507 R C 2.161 178.162 176.300 -0.500 0.000 1.119 507 R CA 1.534 57.198 56.100 -0.726 0.000 0.970 507 R CB -0.355 29.512 30.300 -0.721 0.000 0.864 507 R HN 0.449 nan 8.270 nan 0.000 0.440 508 L N 0.243 121.313 121.223 -0.256 0.000 2.291 508 L HA -0.055 4.284 4.340 -0.001 0.000 0.214 508 L C 1.365 178.117 176.870 -0.197 0.000 1.120 508 L CA 0.775 55.421 54.840 -0.322 0.000 0.799 508 L CB 0.146 41.851 42.059 -0.589 0.000 0.925 508 L HN 0.229 nan 8.230 nan 0.000 0.446 509 L N -1.327 119.879 121.223 -0.029 0.000 3.122 509 L HA 0.228 4.568 4.340 -0.001 0.000 0.274 509 L C -0.232 176.725 176.870 0.144 0.000 1.222 509 L CA -0.105 54.811 54.840 0.127 0.000 1.028 509 L CB 0.579 42.857 42.059 0.364 0.000 1.386 509 L HN -0.014 nan 8.230 nan 0.000 0.578 510 T N 0.074 114.632 114.554 0.006 0.000 2.829 510 T HA 0.188 4.538 4.350 -0.001 0.000 0.280 510 T C -0.136 174.504 174.700 -0.099 0.000 0.999 510 T CA -0.566 61.525 62.100 -0.014 0.000 0.983 510 T CB 2.403 71.250 68.868 -0.036 0.000 0.968 510 T HN 0.013 nan 8.240 nan 0.000 0.446 511 K N 3.745 124.098 120.400 -0.078 0.000 2.504 511 K HA -0.016 4.304 4.320 -0.001 0.000 0.278 511 K C -1.714 174.860 176.600 -0.043 0.000 1.025 511 K CA -1.061 55.187 56.287 -0.065 0.000 1.093 511 K CB 0.429 32.896 32.500 -0.056 0.000 0.873 511 K HN 0.179 nan 8.250 nan 0.000 0.483 512 P HA -0.192 nan 4.420 nan 0.000 0.216 512 P C 0.787 178.100 177.300 0.021 0.000 1.150 512 P CA 1.429 64.505 63.100 -0.040 0.000 0.843 512 P CB 0.161 31.831 31.700 -0.050 0.000 0.787 513 S N -2.201 113.504 115.700 0.008 0.000 2.607 513 S HA 0.051 4.521 4.470 -0.001 0.000 0.224 513 S C 1.659 176.274 174.600 0.024 0.000 0.969 513 S CA 0.495 58.704 58.200 0.015 0.000 0.927 513 S CB -1.105 62.096 63.200 0.002 0.000 0.772 513 S HN 0.108 nan 8.310 nan 0.000 0.533 514 I N -0.801 119.792 120.570 0.038 0.000 3.616 514 I HA 0.201 4.371 4.170 -0.001 0.000 0.296 514 I C 0.625 176.795 176.117 0.089 0.000 1.226 514 I CA -0.401 60.931 61.300 0.052 0.000 1.394 514 I CB -0.105 37.923 38.000 0.046 0.000 1.171 514 I HN 0.253 nan 8.210 nan 0.000 0.442 515 Y N 2.918 123.174 120.300 -0.073 0.000 2.865 515 Y HA -0.079 4.471 4.550 -0.001 0.000 0.338 515 Y C 0.464 176.344 175.900 -0.033 0.000 1.269 515 Y CA 0.076 58.090 58.100 -0.144 0.000 1.585 515 Y CB 0.353 38.656 38.460 -0.262 0.000 1.224 515 Y HN -0.106 nan 8.280 nan 0.000 0.554 516 S N 8.816 124.337 115.700 -0.297 0.000 2.216 516 S HA 0.367 4.836 4.470 -0.001 0.000 0.156 516 S C -2.855 171.577 174.600 -0.280 0.000 1.665 516 S CA -1.200 56.831 58.200 -0.283 0.000 1.262 516 S CB -0.077 63.072 63.200 -0.085 0.000 1.207 516 S HN 0.652 nan 8.310 nan 0.000 0.427 517 P HA 0.353 nan 4.420 nan 0.000 0.279 517 P C -1.177 175.888 177.300 -0.392 0.000 1.239 517 P CA -0.223 62.669 63.100 -0.347 0.000 0.789 517 P CB 0.902 32.301 31.700 -0.503 0.000 0.933 518 D N 2.151 122.498 120.400 -0.088 0.000 2.392 518 D HA 0.160 4.800 4.640 -0.001 0.000 0.228 518 D C 0.212 176.538 176.300 0.045 0.000 1.074 518 D CA -0.688 53.234 54.000 -0.129 0.000 0.838 518 D CB 0.285 41.036 40.800 -0.083 0.000 1.067 518 D HN 0.045 nan 8.370 nan 0.000 0.511 519 F N 1.647 121.710 119.950 0.188 0.000 2.699 519 F HA -0.044 4.483 4.527 -0.001 0.000 0.298 519 F C 2.437 178.311 175.800 0.123 0.000 1.154 519 F CA 0.528 58.640 58.000 0.187 0.000 1.457 519 F CB -0.403 38.689 39.000 0.153 0.000 1.106 519 F HN 0.376 nan 8.300 nan 0.000 0.585 520 S N -1.623 114.216 115.700 0.231 0.000 2.535 520 S HA 0.088 4.557 4.470 -0.001 0.000 0.214 520 S C 0.394 175.039 174.600 0.075 0.000 0.980 520 S CA -0.384 57.894 58.200 0.129 0.000 0.907 520 S CB -0.658 62.597 63.200 0.092 0.000 0.790 520 S HN 0.101 nan 8.310 nan 0.000 0.510 521 F N 2.793 122.675 119.950 -0.114 0.000 2.371 521 F HA 0.595 5.122 4.527 -0.001 0.000 0.329 521 F C 0.027 175.603 175.800 -0.374 0.000 1.107 521 F CA -0.754 57.047 58.000 -0.331 0.000 1.137 521 F CB 1.534 40.176 39.000 -0.597 0.000 1.214 521 F HN -0.065 nan 8.300 nan 0.000 0.536 522 S N 5.600 120.492 115.700 -1.346 0.000 2.464 522 S HA 0.159 4.629 4.470 -0.001 0.000 0.313 522 S C 0.332 174.214 174.600 -1.196 0.000 1.078 522 S CA -0.336 57.301 58.200 -0.938 0.000 1.096 522 S CB -0.208 62.615 63.200 -0.629 0.000 1.032 522 S HN 0.647 nan 8.310 nan 0.000 0.498 523 Y N 1.723 121.746 120.300 -0.461 0.000 2.314 523 Y HA 0.171 4.720 4.550 -0.001 0.000 0.293 523 Y C 0.359 175.720 175.900 -0.898 0.000 1.129 523 Y CA 0.726 58.476 58.100 -0.583 0.000 1.201 523 Y CB 0.124 38.338 38.460 -0.409 0.000 0.999 523 Y HN 0.495 nan 8.280 nan 0.000 0.541 524 F N -1.343 118.556 119.950 -0.086 0.000 2.599 524 F HA 0.456 4.983 4.527 -0.001 0.000 0.311 524 F C -0.075 175.740 175.800 0.026 0.000 1.076 524 F CA -1.536 56.477 58.000 0.023 0.000 0.937 524 F CB 1.602 40.757 39.000 0.258 0.000 1.282 524 F HN -0.398 nan 8.300 nan 0.000 0.460 525 T N 0.202 114.894 114.554 0.230 0.000 2.855 525 T HA 0.714 5.064 4.350 -0.001 0.000 0.281 525 T C -0.565 174.223 174.700 0.147 0.000 1.007 525 T CA -0.825 61.352 62.100 0.128 0.000 1.009 525 T CB 1.190 70.075 68.868 0.028 0.000 0.983 525 T HN 0.509 nan 8.240 nan 0.000 0.455 526 L N 1.990 123.215 121.223 0.004 0.000 2.439 526 L HA 0.406 4.746 4.340 -0.001 0.000 0.269 526 L C 0.157 176.987 176.870 -0.066 0.000 1.179 526 L CA -0.262 54.488 54.840 -0.151 0.000 0.828 526 L CB 0.614 42.507 42.059 -0.277 0.000 1.106 526 L HN 0.808 nan 8.230 nan 0.000 0.467 527 D N 1.445 121.807 120.400 -0.063 0.000 2.492 527 D HA 0.226 4.866 4.640 -0.001 0.000 0.248 527 D C -1.284 174.950 176.300 -0.110 0.000 1.101 527 D CA -0.383 53.579 54.000 -0.062 0.000 0.840 527 D CB 1.156 41.954 40.800 -0.004 0.000 1.209 527 D HN 0.291 nan 8.370 nan 0.000 0.524 528 D N 2.366 122.712 120.400 -0.090 0.000 2.549 528 D HA 0.193 4.833 4.640 -0.001 0.000 0.251 528 D C 0.039 176.285 176.300 -0.090 0.000 1.153 528 D CA -0.459 53.521 54.000 -0.033 0.000 0.861 528 D CB 1.909 42.777 40.800 0.114 0.000 1.207 528 D HN 0.255 nan 8.370 nan 0.000 0.543 529 S N 2.609 118.233 115.700 -0.127 0.000 2.522 529 S HA 0.038 4.507 4.470 -0.001 0.000 0.227 529 S C 1.341 175.900 174.600 -0.067 0.000 0.986 529 S CA 0.471 58.587 58.200 -0.140 0.000 0.929 529 S CB 0.403 63.510 63.200 -0.155 0.000 0.769 529 S HN 0.488 nan 8.310 nan 0.000 0.529 530 R N -0.558 119.935 120.500 -0.012 0.000 2.535 530 R HA 0.227 4.567 4.340 -0.001 0.000 0.323 530 R C -0.702 175.677 176.300 0.133 0.000 0.979 530 R CA -0.106 56.011 56.100 0.028 0.000 1.120 530 R CB 0.800 31.108 30.300 0.013 0.000 1.306 530 R HN 0.332 nan 8.270 nan 0.000 0.540 531 W N 1.382 122.644 121.300 -0.063 0.000 3.405 531 W HA 0.286 4.946 4.660 -0.001 0.000 0.329 531 W C -2.885 173.607 176.519 -0.045 0.000 1.142 531 W CA -1.957 55.351 57.345 -0.061 0.000 1.235 531 W CB 1.787 31.223 29.460 -0.041 0.000 1.341 531 W HN -0.192 nan 8.180 nan 0.000 0.481 532 P HA 0.085 nan 4.420 nan 0.000 0.225 532 P C 0.394 177.329 177.300 -0.609 0.000 1.148 532 P CA 1.817 64.063 63.100 -1.424 0.000 0.779 532 P CB 0.286 31.384 31.700 -1.004 0.000 0.780 533 G N -1.084 107.530 108.800 -0.310 0.000 2.587 533 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.686 533 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.686 533 G C -0.453 174.386 174.900 -0.101 0.000 1.236 533 G CA -0.466 44.544 45.100 -0.151 0.000 0.820 533 G HN 0.110 nan 8.290 nan 0.000 0.645 534 S N 0.159 115.839 115.700 -0.033 0.000 2.544 534 S HA 0.512 4.982 4.470 -0.001 0.000 0.290 534 S C 1.865 176.463 174.600 -0.003 0.000 1.276 534 S CA 1.982 60.194 58.200 0.019 0.000 1.075 534 S CB 0.191 63.440 63.200 0.080 0.000 0.849 534 S HN 2.726 nan 8.310 nan 0.000 0.494 535 G N 2.830 111.628 108.800 -0.002 0.000 2.179 535 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.260 535 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.260 535 G C 0.587 175.462 174.900 -0.043 0.000 0.977 535 G CA 0.370 45.459 45.100 -0.017 0.000 0.641 535 G HN 0.888 nan 8.290 nan 0.000 0.533 536 V N -0.731 119.140 119.914 -0.071 0.000 2.721 536 V HA 0.378 4.497 4.120 -0.001 0.000 0.236 536 V C 0.863 176.896 176.094 -0.103 0.000 1.116 536 V CA 1.526 63.767 62.300 -0.098 0.000 1.148 536 V CB 0.397 32.128 31.823 -0.154 0.000 0.886 536 V HN 0.323 nan 8.190 nan 0.000 0.490 537 E N 0.237 120.365 120.200 -0.120 0.000 2.331 537 E HA 0.328 4.677 4.350 -0.001 0.000 0.275 537 E C -1.610 174.954 176.600 -0.060 0.000 0.895 537 E CA -0.513 55.830 56.400 -0.096 0.000 0.753 537 E CB 2.156 31.776 29.700 -0.134 0.000 1.216 537 E HN 0.074 nan 8.360 nan 0.000 0.434 538 D N 1.334 121.719 120.400 -0.027 0.000 2.468 538 D HA 0.127 4.767 4.640 -0.001 0.000 0.218 538 D C 0.520 176.817 176.300 -0.005 0.000 1.155 538 D CA 0.117 54.121 54.000 0.006 0.000 0.924 538 D CB 0.370 41.184 40.800 0.024 0.000 1.029 538 D HN 0.361 nan 8.370 nan 0.000 0.515 539 S N 2.446 118.134 115.700 -0.021 0.000 2.589 539 S HA 0.206 4.676 4.470 -0.001 0.000 0.235 539 S C 0.888 175.469 174.600 -0.030 0.000 1.051 539 S CA -0.436 57.743 58.200 -0.036 0.000 0.978 539 S CB 0.675 63.833 63.200 -0.070 0.000 0.929 539 S HN 0.200 nan 8.310 nan 0.000 0.523 540 R N 2.005 122.484 120.500 -0.034 0.000 2.441 540 R HA 0.466 4.806 4.340 -0.001 0.000 0.284 540 R C -0.642 175.673 176.300 0.024 0.000 1.070 540 R CA -0.000 56.057 56.100 -0.070 0.000 1.047 540 R CB 0.616 30.749 30.300 -0.278 0.000 1.016 540 R HN 0.155 nan 8.270 nan 0.000 0.477 541 T N 2.204 116.776 114.554 0.031 0.000 2.832 541 T HA 0.098 4.448 4.350 -0.001 0.000 0.296 541 T C 0.147 174.941 174.700 0.157 0.000 0.968 541 T CA -0.124 62.026 62.100 0.083 0.000 1.107 541 T CB 1.034 69.943 68.868 0.069 0.000 0.916 541 T HN 0.420 nan 8.240 nan 0.000 0.517 542 T N 4.082 118.744 114.554 0.179 0.000 2.832 542 T HA 0.344 4.694 4.350 -0.001 0.000 0.296 542 T C 0.724 175.527 174.700 0.171 0.000 0.968 542 T CA -0.447 61.783 62.100 0.218 0.000 1.107 542 T CB 0.227 69.189 68.868 0.157 0.000 0.916 542 T HN 0.411 nan 8.240 nan 0.000 0.517 543 I N 4.421 125.111 120.570 0.200 0.000 2.436 543 I HA 0.128 4.298 4.170 -0.001 0.000 0.289 543 I C 0.181 176.382 176.117 0.140 0.000 1.083 543 I CA -0.247 61.150 61.300 0.162 0.000 1.372 543 I CB 0.286 38.385 38.000 0.165 0.000 1.408 543 I HN 0.368 nan 8.210 nan 0.000 0.516 544 I N 8.312 128.950 120.570 0.113 0.000 2.297 544 I HA 0.352 4.521 4.170 -0.001 0.000 0.291 544 I C -0.001 176.175 176.117 0.099 0.000 1.033 544 I CA -0.132 61.227 61.300 0.098 0.000 1.253 544 I CB 0.302 38.348 38.000 0.076 0.000 1.396 544 I HN 0.426 nan 8.210 nan 0.000 0.476 545 L N 5.259 126.546 121.223 0.105 0.000 2.341 545 L HA 0.982 5.322 4.340 -0.001 0.000 0.267 545 L C 0.247 177.175 176.870 0.096 0.000 1.009 545 L CA -0.619 54.283 54.840 0.103 0.000 0.819 545 L CB 2.408 44.535 42.059 0.113 0.000 1.323 545 L HN 0.713 nan 8.230 nan 0.000 0.425 546 G N -0.037 108.816 108.800 0.088 0.000 2.473 546 G HA2 0.126 4.086 3.960 -0.001 0.000 0.298 546 G HA3 0.126 4.086 3.960 -0.001 0.000 0.298 546 G C -0.202 174.740 174.900 0.071 0.000 1.575 546 G CA -0.439 44.710 45.100 0.081 0.000 0.846 546 G HN 0.707 nan 8.290 nan 0.000 0.585 547 E N -0.063 120.177 120.200 0.066 0.000 2.171 547 E HA -0.153 4.197 4.350 -0.001 0.000 0.197 547 E C 0.704 177.332 176.600 0.047 0.000 0.997 547 E CA 1.571 58.004 56.400 0.054 0.000 0.810 547 E CB 0.151 29.880 29.700 0.048 0.000 0.738 547 E HN 0.427 nan 8.360 nan 0.000 0.467 548 D N -0.358 120.069 120.400 0.046 0.000 2.388 548 D HA 0.126 4.766 4.640 -0.001 0.000 0.221 548 D C 1.059 177.384 176.300 0.041 0.000 1.133 548 D CA 0.119 54.142 54.000 0.040 0.000 0.831 548 D CB 0.882 41.703 40.800 0.035 0.000 0.962 548 D HN 0.332 nan 8.370 nan 0.000 0.502 549 I N -0.858 119.741 120.570 0.049 0.000 4.420 549 I HA 0.112 4.282 4.170 -0.001 0.000 0.292 549 I C -1.400 174.753 176.117 0.059 0.000 1.153 549 I CA 0.085 61.415 61.300 0.050 0.000 1.315 549 I CB 1.280 39.310 38.000 0.050 0.000 1.616 549 I HN -0.169 nan 8.210 nan 0.000 0.450 550 L N 2.059 123.323 121.223 0.068 0.000 2.905 550 L HA 0.437 4.776 4.340 -0.001 0.000 0.260 550 L C -2.525 174.397 176.870 0.086 0.000 0.933 550 L CA -0.774 54.114 54.840 0.080 0.000 1.034 550 L CB 1.635 43.748 42.059 0.090 0.000 1.550 550 L HN -0.163 nan 8.230 nan 0.000 0.480 551 P HA 0.081 nan 4.420 nan 0.000 0.224 551 P C -0.162 177.195 177.300 0.095 0.000 1.157 551 P CA 0.794 63.944 63.100 0.083 0.000 0.799 551 P CB 0.425 32.168 31.700 0.071 0.000 0.809 552 S N -2.056 113.712 115.700 0.113 0.000 2.625 552 S HA 0.722 5.192 4.470 -0.001 0.000 0.271 552 S C -1.294 173.413 174.600 0.179 0.000 1.161 552 S CA -0.726 57.550 58.200 0.127 0.000 0.820 552 S CB 2.486 65.756 63.200 0.117 0.000 1.137 552 S HN -0.118 nan 8.310 nan 0.000 0.470 553 K N 0.640 121.156 120.400 0.192 0.000 2.535 553 K HA 0.555 4.875 4.320 -0.001 0.000 0.251 553 K C -1.985 174.798 176.600 0.304 0.000 0.942 553 K CA -0.237 56.209 56.287 0.264 0.000 0.798 553 K CB 0.876 33.487 32.500 0.184 0.000 1.267 553 K HN 0.838 nan 8.250 nan 0.000 0.434 554 H N 0.970 120.188 119.070 0.247 0.000 2.610 554 H HA 0.415 4.971 4.556 -0.001 0.000 0.336 554 H C -0.158 175.397 175.328 0.378 0.000 1.087 554 H CA -0.101 56.141 56.048 0.324 0.000 1.405 554 H CB 0.924 30.965 29.762 0.465 0.000 1.460 554 H HN 0.396 nan 8.280 nan 0.000 0.538 555 V N 1.049 121.208 119.914 0.408 0.000 2.914 555 V HA 0.775 4.895 4.120 -0.001 0.000 0.314 555 V C -0.687 175.733 176.094 0.543 0.000 1.084 555 V CA -0.878 61.660 62.300 0.397 0.000 0.963 555 V CB 2.102 33.902 31.823 -0.038 0.000 1.025 555 V HN 0.454 nan 8.190 nan 0.000 0.432 556 V N 4.007 124.267 119.914 0.577 0.000 2.638 556 V HA 0.628 4.748 4.120 -0.001 0.000 0.306 556 V C -0.440 176.008 176.094 0.591 0.000 1.052 556 V CA -0.383 62.224 62.300 0.511 0.000 0.885 556 V CB 1.824 33.800 31.823 0.255 0.000 0.999 556 V HN 0.944 nan 8.190 nan 0.000 0.424 557 M N 4.092 124.011 119.600 0.532 0.000 2.336 557 M HA 0.484 4.963 4.480 -0.001 0.000 0.342 557 M C -0.483 176.091 176.300 0.456 0.000 1.128 557 M CA -0.231 55.357 55.300 0.481 0.000 1.016 557 M CB 1.150 33.978 32.600 0.380 0.000 1.665 557 M HN 0.752 nan 8.290 nan 0.000 0.445 558 H N 2.039 121.336 119.070 0.377 0.000 2.492 558 H HA 0.479 5.035 4.556 -0.001 0.000 0.345 558 H C -1.318 174.142 175.328 0.220 0.000 1.136 558 H CA -0.577 55.656 56.048 0.308 0.000 1.202 558 H CB 1.169 31.182 29.762 0.418 0.000 1.524 558 H HN 0.648 nan 8.280 nan 0.000 0.506 559 N N 3.098 121.584 118.700 -0.357 0.000 2.569 559 N HA 0.037 4.776 4.740 -0.001 0.000 0.254 559 N C 0.317 175.504 175.510 -0.538 0.000 1.004 559 N CA -0.312 52.532 53.050 -0.343 0.000 0.904 559 N CB 1.590 39.975 38.487 -0.169 0.000 1.165 559 N HN 0.635 nan 8.380 nan 0.000 0.513 560 T N 2.869 117.147 114.554 -0.460 0.000 3.035 560 T HA 0.160 4.510 4.350 -0.001 0.000 0.268 560 T C 0.693 175.350 174.700 -0.072 0.000 1.109 560 T CA 0.523 62.511 62.100 -0.186 0.000 1.119 560 T CB -0.231 68.663 68.868 0.043 0.000 0.900 560 T HN 0.417 nan 8.240 nan 0.000 0.503 561 L N 2.753 123.884 121.223 -0.154 0.000 2.395 561 L HA 0.312 4.651 4.340 -0.001 0.000 0.269 561 L C -1.606 175.122 176.870 -0.237 0.000 1.133 561 L CA -1.927 52.791 54.840 -0.204 0.000 0.812 561 L CB 0.709 42.523 42.059 -0.407 0.000 1.125 561 L HN -0.042 nan 8.230 nan 0.000 0.452 562 P HA 0.053 nan 4.420 nan 0.000 0.243 562 P C -0.956 176.355 177.300 0.019 0.000 1.668 562 P CA 0.317 63.400 63.100 -0.028 0.000 0.898 562 P CB -0.352 31.386 31.700 0.063 0.000 1.637 563 H N -3.186 115.894 119.070 0.018 0.000 3.012 563 H HA 0.243 4.798 4.556 -0.001 0.000 0.367 563 H C -1.005 174.342 175.328 0.031 0.000 1.211 563 H CA -1.084 54.993 56.048 0.049 0.000 1.139 563 H CB 0.009 29.829 29.762 0.096 0.000 1.838 563 H HN -0.132 nan 8.280 nan 0.000 0.550 564 W N 1.743 123.146 121.300 0.172 0.000 2.314 564 W HA 0.203 4.862 4.660 -0.001 0.000 0.339 564 W C 0.915 177.536 176.519 0.170 0.000 1.293 564 W CA 0.468 57.883 57.345 0.116 0.000 1.288 564 W CB 0.420 29.933 29.460 0.090 0.000 1.186 564 W HN 0.515 nan 8.180 nan 0.000 0.566 565 R N 2.324 123.021 120.500 0.328 0.000 2.604 565 R HA 0.300 4.640 4.340 -0.001 0.000 0.281 565 R C -1.063 175.368 176.300 0.217 0.000 1.020 565 R CA -0.669 55.579 56.100 0.246 0.000 0.899 565 R CB 1.407 31.781 30.300 0.123 0.000 1.205 565 R HN 0.498 nan 8.270 nan 0.000 0.450 566 E N 2.449 122.754 120.200 0.175 0.000 2.191 566 E HA 0.255 4.605 4.350 -0.001 0.000 0.274 566 E C -1.238 175.408 176.600 0.076 0.000 0.948 566 E CA -0.773 55.707 56.400 0.133 0.000 0.802 566 E CB 2.363 32.135 29.700 0.120 0.000 1.137 566 E HN 0.399 nan 8.360 nan 0.000 0.397 567 Q N 2.950 122.772 119.800 0.037 0.000 2.386 567 Q HA 0.246 4.586 4.340 -0.001 0.000 0.274 567 Q C -1.489 174.468 176.000 -0.071 0.000 1.011 567 Q CA -0.602 55.194 55.803 -0.013 0.000 0.867 567 Q CB 1.437 30.159 28.738 -0.027 0.000 1.409 567 Q HN 0.551 nan 8.270 nan 0.000 0.395 568 L N 3.308 124.483 121.223 -0.079 0.000 2.453 568 L HA 0.315 4.655 4.340 -0.001 0.000 0.272 568 L C 0.254 176.988 176.870 -0.226 0.000 1.182 568 L CA -0.260 54.495 54.840 -0.142 0.000 0.858 568 L CB 0.468 42.481 42.059 -0.078 0.000 1.120 568 L HN 0.470 nan 8.230 nan 0.000 0.474 569 V N -0.471 119.205 119.914 -0.397 0.000 2.914 569 V HA 0.721 4.840 4.120 -0.001 0.000 0.314 569 V C -0.921 174.906 176.094 -0.445 0.000 1.084 569 V CA -0.865 61.160 62.300 -0.458 0.000 0.963 569 V CB 2.196 33.700 31.823 -0.532 0.000 1.025 569 V HN 0.796 nan 8.190 nan 0.000 0.432 570 D N 1.408 121.540 120.400 -0.447 0.000 2.671 570 D HA 0.632 5.272 4.640 -0.001 0.000 0.232 570 D C -1.388 174.602 176.300 -0.516 0.000 1.114 570 D CA -0.410 53.436 54.000 -0.258 0.000 0.858 570 D CB 2.358 43.105 40.800 -0.088 0.000 1.544 570 D HN 0.446 nan 8.370 nan 0.000 0.471 571 F N -0.050 119.964 119.950 0.106 0.000 2.599 571 F HA 0.341 4.868 4.527 -0.001 0.000 0.311 571 F C -0.526 175.432 175.800 0.264 0.000 1.076 571 F CA -1.047 57.028 58.000 0.126 0.000 0.937 571 F CB 1.569 40.682 39.000 0.188 0.000 1.282 571 F HN 0.144 nan 8.300 nan 0.000 0.460 572 Y N 2.213 122.665 120.300 0.254 0.000 2.335 572 Y HA 0.543 5.092 4.550 -0.001 0.000 0.331 572 Y C 0.226 176.247 175.900 0.202 0.000 1.094 572 Y CA -1.424 56.779 58.100 0.173 0.000 1.253 572 Y CB 0.822 39.338 38.460 0.093 0.000 1.203 572 Y HN 0.344 nan 8.280 nan 0.000 0.508 573 V N -0.381 119.730 119.914 0.328 0.000 2.962 573 V HA 0.569 4.689 4.120 -0.001 0.000 0.313 573 V C 0.336 176.562 176.094 0.220 0.000 1.099 573 V CA -0.728 61.726 62.300 0.256 0.000 0.971 573 V CB 1.722 33.695 31.823 0.251 0.000 1.028 573 V HN 0.663 nan 8.190 nan 0.000 0.430 574 S N 0.282 116.092 115.700 0.184 0.000 2.593 574 S HA 0.261 4.731 4.470 -0.001 0.000 0.217 574 S C 0.673 175.407 174.600 0.222 0.000 0.966 574 S CA 0.483 58.779 58.200 0.160 0.000 0.914 574 S CB -0.207 63.060 63.200 0.112 0.000 0.776 574 S HN 1.445 nan 8.310 nan 0.000 0.523 575 S N 1.260 117.097 115.700 0.228 0.000 2.546 575 S HA 0.586 5.056 4.470 -0.001 0.000 0.274 575 S C -2.563 171.973 174.600 -0.106 0.000 1.121 575 S CA -1.421 56.824 58.200 0.076 0.000 0.887 575 S CB 1.950 65.193 63.200 0.072 0.000 1.094 575 S HN 0.019 nan 8.310 nan 0.000 0.474 576 P HA 0.173 nan 4.420 nan 0.000 0.236 576 P C -0.171 176.971 177.300 -0.264 0.000 1.177 576 P CA 0.381 63.103 63.100 -0.629 0.000 0.773 576 P CB -0.160 30.863 31.700 -1.128 0.000 0.878 577 F N 0.854 120.824 119.950 0.033 0.000 2.509 577 F HA 0.260 4.787 4.527 -0.001 0.000 0.344 577 F C 0.491 176.339 175.800 0.080 0.000 1.197 577 F CA -1.015 57.032 58.000 0.078 0.000 1.294 577 F CB -0.145 38.869 39.000 0.022 0.000 1.643 577 F HN -0.331 nan 8.300 nan 0.000 0.596 578 V N 0.569 120.615 119.914 0.220 0.000 2.656 578 V HA 0.544 4.664 4.120 -0.001 0.000 0.307 578 V C -0.156 176.005 176.094 0.112 0.000 1.051 578 V CA -0.705 61.684 62.300 0.148 0.000 0.893 578 V CB 2.289 34.192 31.823 0.132 0.000 0.999 578 V HN 0.418 nan 8.190 nan 0.000 0.426 579 S N 2.383 118.131 115.700 0.080 0.000 2.532 579 S HA 0.784 5.254 4.470 -0.001 0.000 0.301 579 S C -0.617 173.968 174.600 -0.025 0.000 1.083 579 S CA -0.570 57.657 58.200 0.046 0.000 1.025 579 S CB 2.048 65.285 63.200 0.062 0.000 1.056 579 S HN 0.473 nan 8.310 nan 0.000 0.494 580 V N 2.657 122.518 119.914 -0.088 0.000 2.513 580 V HA 0.740 4.860 4.120 -0.001 0.000 0.299 580 V C 0.094 176.096 176.094 -0.152 0.000 1.035 580 V CA -0.668 61.498 62.300 -0.222 0.000 0.889 580 V CB 1.693 33.197 31.823 -0.532 0.000 0.988 580 V HN 1.052 nan 8.190 nan 0.000 0.440 581 T N -0.381 114.103 114.554 -0.117 0.000 2.906 581 T HA 0.650 4.999 4.350 -0.001 0.000 0.295 581 T C -0.804 173.879 174.700 -0.029 0.000 1.061 581 T CA -0.913 61.144 62.100 -0.073 0.000 1.000 581 T CB 2.073 70.892 68.868 -0.083 0.000 1.103 581 T HN 0.709 nan 8.240 nan 0.000 0.486 582 D N 0.674 121.034 120.400 -0.068 0.000 2.478 582 D HA 0.228 4.868 4.640 -0.001 0.000 0.269 582 D C 0.565 176.731 176.300 -0.223 0.000 1.232 582 D CA -1.182 52.666 54.000 -0.253 0.000 1.059 582 D CB 0.313 40.958 40.800 -0.258 0.000 1.104 582 D HN 0.348 nan 8.370 nan 0.000 0.566 583 L N -0.615 120.456 121.223 -0.253 0.000 2.672 583 L HA 0.370 4.710 4.340 -0.001 0.000 0.236 583 L C 1.215 178.009 176.870 -0.126 0.000 1.186 583 L CA 0.279 55.012 54.840 -0.178 0.000 0.977 583 L CB -0.808 41.150 42.059 -0.169 0.000 1.203 583 L HN 0.627 nan 8.230 nan 0.000 0.448 584 A N -0.967 121.785 122.820 -0.114 0.000 2.465 584 A HA 0.222 4.542 4.320 -0.001 0.000 0.255 584 A C 1.152 178.692 177.584 -0.073 0.000 1.274 584 A CA 0.217 52.205 52.037 -0.081 0.000 0.920 584 A CB -0.402 18.557 19.000 -0.069 0.000 1.033 584 A HN 0.444 nan 8.150 nan 0.000 0.516 585 N N 0.118 118.767 118.700 -0.084 0.000 2.782 585 N HA -0.142 4.598 4.740 -0.001 0.000 0.251 585 N C -0.983 174.485 175.510 -0.070 0.000 1.101 585 N CA 0.866 53.873 53.050 -0.071 0.000 0.764 585 N CB -1.735 36.721 38.487 -0.052 0.000 1.122 585 N HN 0.551 nan 8.380 nan 0.000 0.561 586 N N 1.179 119.834 118.700 -0.075 0.000 2.470 586 N HA 0.224 4.964 4.740 -0.001 0.000 0.268 586 N C -2.484 172.960 175.510 -0.110 0.000 1.136 586 N CA -0.747 52.254 53.050 -0.081 0.000 0.961 586 N CB 0.544 38.995 38.487 -0.061 0.000 1.067 586 N HN 0.243 nan 8.380 nan 0.000 0.468 587 P HA 0.050 nan 4.420 nan 0.000 0.269 587 P C -0.433 176.733 177.300 -0.223 0.000 1.209 587 P CA -0.044 62.869 63.100 -0.311 0.000 0.776 587 P CB 0.693 31.911 31.700 -0.804 0.000 0.876 588 V N 2.422 122.248 119.914 -0.148 0.000 2.487 588 V HA 0.216 4.336 4.120 -0.001 0.000 0.298 588 V C 0.376 176.464 176.094 -0.010 0.000 1.028 588 V CA -0.825 61.450 62.300 -0.041 0.000 0.860 588 V CB 1.444 33.260 31.823 -0.012 0.000 0.991 588 V HN 0.544 nan 8.190 nan 0.000 0.427 589 E N 3.053 123.288 120.200 0.058 0.000 2.414 589 E HA 0.469 4.819 4.350 -0.001 0.000 0.263 589 E C -0.219 176.451 176.600 0.116 0.000 1.000 589 E CA 0.103 56.567 56.400 0.107 0.000 0.914 589 E CB 0.879 30.646 29.700 0.111 0.000 0.948 589 E HN 0.888 nan 8.360 nan 0.000 0.444 590 A N 4.245 127.123 122.820 0.096 0.000 2.527 590 A HA 0.430 4.750 4.320 -0.001 0.000 0.293 590 A C -1.314 176.290 177.584 0.032 0.000 1.117 590 A CA -0.716 51.386 52.037 0.109 0.000 0.723 590 A CB 1.959 21.020 19.000 0.101 0.000 1.313 590 A HN 0.670 nan 8.150 nan 0.000 0.411 591 Q N 0.760 120.584 119.800 0.041 0.000 2.356 591 Q HA 0.645 4.984 4.340 -0.001 0.000 0.270 591 Q C -2.000 173.990 176.000 -0.016 0.000 1.058 591 Q CA -0.552 55.233 55.803 -0.029 0.000 0.802 591 Q CB 2.171 30.929 28.738 0.033 0.000 1.303 591 Q HN 0.576 nan 8.270 nan 0.000 0.444 592 V N 2.642 122.475 119.914 -0.136 0.000 2.435 592 V HA 0.560 4.679 4.120 -0.001 0.000 0.290 592 V C -0.502 175.756 176.094 0.272 0.000 1.030 592 V CA -0.314 62.014 62.300 0.048 0.000 0.881 592 V CB 1.787 33.600 31.823 -0.017 0.000 0.983 592 V HN 0.836 nan 8.190 nan 0.000 0.445 593 S N 5.206 121.099 115.700 0.321 0.000 2.599 593 S HA 0.688 5.158 4.470 -0.001 0.000 0.294 593 S C -2.740 171.930 174.600 0.116 0.000 1.094 593 S CA -1.170 57.208 58.200 0.297 0.000 0.931 593 S CB 2.385 65.712 63.200 0.212 0.000 1.093 593 S HN 0.539 nan 8.310 nan 0.000 0.488 594 P HA 0.245 nan 4.420 nan 0.000 0.273 594 P C -1.152 175.839 177.300 -0.516 0.000 1.250 594 P CA -0.506 62.233 63.100 -0.602 0.000 0.793 594 P CB 0.371 31.315 31.700 -1.260 0.000 1.011 595 V N 1.567 121.102 119.914 -0.632 0.000 2.348 595 V HA 0.202 4.321 4.120 -0.001 0.000 0.270 595 V C -0.556 175.236 176.094 -0.503 0.000 1.037 595 V CA -0.170 61.835 62.300 -0.490 0.000 0.872 595 V CB -0.316 31.131 31.823 -0.626 0.000 1.002 595 V HN 0.518 nan 8.190 nan 0.000 0.464 596 W N 3.467 124.679 121.300 -0.146 0.000 2.478 596 W HA 0.636 5.295 4.660 -0.001 0.000 0.318 596 W C 0.353 176.790 176.519 -0.137 0.000 1.062 596 W CA -0.433 56.810 57.345 -0.170 0.000 1.210 596 W CB 1.934 31.302 29.460 -0.154 0.000 1.325 596 W HN 0.576 nan 8.180 nan 0.000 0.496 597 S N 1.453 117.179 115.700 0.043 0.000 2.526 597 S HA 0.600 5.069 4.470 -0.001 0.000 0.293 597 S C -1.396 172.987 174.600 -0.361 0.000 1.092 597 S CA -0.941 57.209 58.200 -0.083 0.000 0.980 597 S CB 1.202 64.333 63.200 -0.114 0.000 1.048 597 S HN 0.421 nan 8.310 nan 0.000 0.483 598 W N 1.669 122.736 121.300 -0.388 0.000 2.496 598 W HA 0.544 5.203 4.660 -0.001 0.000 0.327 598 W C 0.320 176.467 176.519 -0.621 0.000 1.086 598 W CA -0.144 56.977 57.345 -0.375 0.000 1.222 598 W CB 0.965 30.315 29.460 -0.183 0.000 1.304 598 W HN 0.628 nan 8.180 nan 0.000 0.547 599 H N 1.330 120.427 119.070 0.046 0.000 2.679 599 H HA 0.107 4.662 4.556 -0.001 0.000 0.360 599 H C -1.077 174.246 175.328 -0.009 0.000 1.105 599 H CA -1.016 55.007 56.048 -0.042 0.000 1.196 599 H CB 1.742 31.389 29.762 -0.192 0.000 1.636 599 H HN 0.409 nan 8.280 nan 0.000 0.531 600 H N 2.243 121.371 119.070 0.096 0.000 2.934 600 H HA 0.045 4.600 4.556 -0.001 0.000 0.273 600 H C -0.465 174.903 175.328 0.066 0.000 1.121 600 H CA -0.228 55.864 56.048 0.072 0.000 1.451 600 H CB 0.248 30.044 29.762 0.055 0.000 1.469 600 H HN 0.410 nan 8.280 nan 0.000 0.476 601 D N 3.616 123.820 120.400 -0.326 0.000 2.374 601 D HA -0.031 4.609 4.640 -0.001 0.000 0.240 601 D C 0.817 176.861 176.300 -0.427 0.000 1.229 601 D CA 0.136 54.001 54.000 -0.225 0.000 0.895 601 D CB 0.898 41.750 40.800 0.087 0.000 1.046 601 D HN 0.715 nan 8.370 nan 0.000 0.498 602 T N 3.339 117.694 114.554 -0.332 0.000 3.113 602 T HA 0.040 4.389 4.350 -0.001 0.000 0.263 602 T C 1.810 176.457 174.700 -0.089 0.000 1.143 602 T CA 0.549 62.521 62.100 -0.214 0.000 1.090 602 T CB 0.102 68.936 68.868 -0.057 0.000 0.922 602 T HN 0.396 nan 8.240 nan 0.000 0.521 603 L N 0.365 121.545 121.223 -0.073 0.000 2.189 603 L HA 0.119 4.458 4.340 -0.001 0.000 0.199 603 L C 2.937 179.795 176.870 -0.021 0.000 1.074 603 L CA 1.358 56.179 54.840 -0.032 0.000 0.783 603 L CB -0.503 41.543 42.059 -0.022 0.000 0.955 603 L HN 0.278 nan 8.230 nan 0.000 0.460 604 T N -4.175 110.369 114.554 -0.017 0.000 3.088 604 T HA -0.004 4.346 4.350 -0.001 0.000 0.259 604 T C 0.700 175.406 174.700 0.011 0.000 1.122 604 T CA -0.126 61.972 62.100 -0.003 0.000 1.095 604 T CB 0.038 68.905 68.868 -0.002 0.000 0.930 604 T HN 0.112 nan 8.240 nan 0.000 0.508 605 K N 1.992 122.384 120.400 -0.013 0.000 3.125 605 K HA -0.123 4.197 4.320 -0.001 0.000 0.268 605 K C 0.078 176.739 176.600 0.103 0.000 1.078 605 K CA 1.232 57.542 56.287 0.039 0.000 0.775 605 K CB -2.914 29.629 32.500 0.071 0.000 1.253 605 K HN 0.877 nan 8.250 nan 0.000 0.486 606 T N -2.730 111.887 114.554 0.105 0.000 2.906 606 T HA 0.807 5.157 4.350 -0.001 0.000 0.295 606 T C 0.226 175.094 174.700 0.280 0.000 1.075 606 T CA -1.056 61.164 62.100 0.200 0.000 1.005 606 T CB 2.266 71.247 68.868 0.189 0.000 1.136 606 T HN 0.148 nan 8.240 nan 0.000 0.498 607 I N 3.163 123.922 120.570 0.315 0.000 2.355 607 I HA 0.527 4.697 4.170 -0.001 0.000 0.288 607 I C -0.334 176.059 176.117 0.461 0.000 0.999 607 I CA -0.684 60.821 61.300 0.340 0.000 1.163 607 I CB 0.652 38.823 38.000 0.284 0.000 1.316 607 I HN 0.939 nan 8.210 nan 0.000 0.454 608 H N 5.833 125.074 119.070 0.286 0.000 3.016 608 H HA 0.667 5.223 4.556 -0.001 0.000 0.362 608 H C -3.186 171.939 175.328 -0.339 0.000 1.233 608 H CA -2.376 53.678 56.048 0.009 0.000 1.124 608 H CB 1.845 31.605 29.762 -0.003 0.000 1.850 608 H HN 0.148 nan 8.280 nan 0.000 0.549 609 P HA 0.219 nan 4.420 nan 0.000 0.290 609 P C -1.036 176.203 177.300 -0.101 0.000 1.275 609 P CA -0.662 61.916 63.100 -0.871 0.000 0.841 609 P CB 1.793 32.631 31.700 -1.437 0.000 1.042 610 Q N 0.856 120.701 119.800 0.074 0.000 2.365 610 Q HA 0.593 4.933 4.340 -0.001 0.000 0.269 610 Q C 0.127 176.219 176.000 0.152 0.000 1.061 610 Q CA -0.597 55.330 55.803 0.207 0.000 0.816 610 Q CB 2.876 31.729 28.738 0.191 0.000 1.325 610 Q HN 0.587 nan 8.270 nan 0.000 0.446 611 G N 0.537 109.303 108.800 -0.057 0.000 2.389 611 G HA2 0.358 4.318 3.960 -0.001 0.000 0.328 611 G HA3 0.358 4.318 3.960 -0.001 0.000 0.328 611 G C -0.439 174.216 174.900 -0.409 0.000 1.133 611 G CA -0.332 44.416 45.100 -0.587 0.000 0.891 611 G HN 0.416 nan 8.290 nan 0.000 0.485 612 S N -0.681 114.719 115.700 -0.501 0.000 2.580 612 S HA 0.337 4.806 4.470 -0.001 0.000 0.274 612 S C 1.550 175.889 174.600 -0.435 0.000 1.329 612 S CA 0.229 58.172 58.200 -0.428 0.000 1.036 612 S CB 0.746 63.635 63.200 -0.518 0.000 0.919 612 S HN 0.896 nan 8.310 nan 0.000 0.515 613 T N -0.166 114.215 114.554 -0.289 0.000 3.105 613 T HA 0.179 4.529 4.350 -0.001 0.000 0.253 613 T C 1.005 175.615 174.700 -0.149 0.000 1.047 613 T CA 0.435 62.432 62.100 -0.172 0.000 0.944 613 T CB -0.200 68.625 68.868 -0.071 0.000 1.016 613 T HN 0.699 nan 8.240 nan 0.000 0.544 614 T N -2.495 111.861 114.554 -0.330 0.000 3.046 614 T HA 0.377 4.727 4.350 -0.001 0.000 0.270 614 T C 0.192 174.674 174.700 -0.362 0.000 0.920 614 T CA -0.483 61.490 62.100 -0.210 0.000 0.874 614 T CB 0.321 69.125 68.868 -0.107 0.000 1.214 614 T HN 0.196 nan 8.240 nan 0.000 0.536 615 K N 0.852 120.823 120.400 -0.716 0.000 2.316 615 K HA 0.678 4.998 4.320 -0.001 0.000 0.251 615 K C -1.834 174.109 176.600 -1.096 0.000 0.934 615 K CA -0.719 55.188 56.287 -0.632 0.000 0.802 615 K CB 2.106 34.297 32.500 -0.515 0.000 1.171 615 K HN 0.164 nan 8.250 nan 0.000 0.426 616 Y N 0.000 120.214 120.300 -0.144 0.000 2.588 616 Y HA 0.406 4.955 4.550 -0.001 0.000 0.343 616 Y C -0.191 175.713 175.900 0.007 0.000 1.065 616 Y CA -1.107 56.939 58.100 -0.090 0.000 1.038 616 Y CB 1.700 40.173 38.460 0.021 0.000 1.297 616 Y HN 0.262 nan 8.280 nan 0.000 0.467 617 R N 1.781 122.407 120.500 0.211 0.000 2.294 617 R HA 0.581 4.921 4.340 -0.001 0.000 0.319 617 R C -1.222 175.242 176.300 0.274 0.000 0.984 617 R CA -0.637 55.629 56.100 0.276 0.000 0.861 617 R CB 1.633 32.073 30.300 0.234 0.000 1.104 617 R HN 0.644 nan 8.270 nan 0.000 0.451 618 I N 4.237 124.992 120.570 0.307 0.000 2.412 618 I HA 0.425 4.594 4.170 -0.001 0.000 0.296 618 I C -1.010 175.291 176.117 0.307 0.000 0.987 618 I CA -0.735 60.738 61.300 0.288 0.000 1.180 618 I CB 1.027 39.210 38.000 0.304 0.000 1.340 618 I HN 0.542 nan 8.210 nan 0.000 0.455 619 I N 8.179 128.899 120.570 0.250 0.000 2.498 619 I HA 0.498 4.668 4.170 -0.001 0.000 0.290 619 I C -1.039 175.225 176.117 0.245 0.000 1.032 619 I CA -0.537 60.858 61.300 0.159 0.000 1.073 619 I CB 1.640 39.696 38.000 0.092 0.000 1.251 619 I HN 0.501 nan 8.210 nan 0.000 0.426 620 F N 2.880 122.853 119.950 0.038 0.000 2.686 620 F HA 0.574 5.100 4.527 -0.001 0.000 0.311 620 F C -1.035 174.748 175.800 -0.029 0.000 1.128 620 F CA -1.316 56.684 58.000 -0.000 0.000 0.946 620 F CB 1.334 40.319 39.000 -0.024 0.000 1.336 620 F HN 0.207 nan 8.300 nan 0.000 0.457 621 K N 2.023 122.510 120.400 0.145 0.000 2.285 621 K HA 0.718 5.038 4.320 -0.001 0.000 0.286 621 K C -0.610 176.038 176.600 0.081 0.000 1.072 621 K CA -0.332 55.981 56.287 0.043 0.000 0.913 621 K CB 0.769 33.326 32.500 0.095 0.000 1.067 621 K HN 0.927 nan 8.250 nan 0.000 0.479 622 A N 4.663 127.439 122.820 -0.074 0.000 2.310 622 A HA 0.390 4.710 4.320 -0.001 0.000 0.299 622 A C -0.603 177.115 177.584 0.225 0.000 1.147 622 A CA -0.651 51.416 52.037 0.050 0.000 0.818 622 A CB 0.636 19.620 19.000 -0.026 0.000 1.096 622 A HN 0.881 nan 8.150 nan 0.000 0.495 623 R N 2.086 122.830 120.500 0.406 0.000 2.439 623 R HA 0.605 4.945 4.340 -0.001 0.000 0.310 623 R C -1.923 174.634 176.300 0.429 0.000 0.955 623 R CA -0.246 56.079 56.100 0.375 0.000 0.853 623 R CB 1.335 31.837 30.300 0.338 0.000 1.171 623 R HN 0.496 nan 8.270 nan 0.000 0.449 624 V N 6.070 126.193 119.914 0.349 0.000 2.656 624 V HA 0.461 4.581 4.120 -0.001 0.000 0.307 624 V C -2.261 173.744 176.094 -0.147 0.000 1.051 624 V CA -2.313 60.087 62.300 0.167 0.000 0.893 624 V CB 1.912 33.809 31.823 0.125 0.000 0.999 624 V HN 0.786 nan 8.190 nan 0.000 0.426 625 P HA 0.218 nan 4.420 nan 0.000 0.271 625 P C -2.748 174.077 177.300 -0.791 0.000 1.244 625 P CA -1.359 60.879 63.100 -1.437 0.000 0.793 625 P CB -0.272 30.762 31.700 -1.109 0.000 0.984 626 P HA 0.091 nan 4.420 nan 0.000 0.264 626 P C 0.082 177.336 177.300 -0.078 0.000 1.193 626 P CA 0.587 63.494 63.100 -0.320 0.000 0.763 626 P CB -0.247 31.329 31.700 -0.206 0.000 0.810 627 M N 0.355 119.948 119.600 -0.012 0.000 2.253 627 M HA -0.210 4.270 4.480 -0.001 0.000 0.199 627 M C 0.559 177.046 176.300 0.312 0.000 0.342 627 M CA 0.987 56.416 55.300 0.214 0.000 0.417 627 M CB -2.070 30.742 32.600 0.353 0.000 1.338 627 M HN 0.583 nan 8.290 nan 0.000 0.920 628 G N -0.183 108.668 108.800 0.086 0.000 3.022 628 G HA2 0.937 4.897 3.960 -0.001 0.000 0.284 628 G HA3 0.937 4.897 3.960 -0.001 0.000 0.284 628 G C -1.352 173.675 174.900 0.211 0.000 1.375 628 G CA -0.972 44.145 45.100 0.028 0.000 0.902 628 G HN 0.177 nan 8.290 nan 0.000 0.538 629 L N -0.479 120.850 121.223 0.177 0.000 2.388 629 L HA 0.798 5.138 4.340 -0.001 0.000 0.264 629 L C -0.249 176.717 176.870 0.160 0.000 0.998 629 L CA -1.025 53.953 54.840 0.230 0.000 0.817 629 L CB 2.485 44.687 42.059 0.238 0.000 1.338 629 L HN 0.764 nan 8.230 nan 0.000 0.414 630 A N 0.839 123.793 122.820 0.223 0.000 2.427 630 A HA 0.803 5.123 4.320 -0.001 0.000 0.298 630 A C -0.780 176.950 177.584 0.243 0.000 1.036 630 A CA -0.452 51.698 52.037 0.188 0.000 0.701 630 A CB 1.709 20.864 19.000 0.259 0.000 1.250 630 A HN 0.556 nan 8.150 nan 0.000 0.412 631 T N 2.159 116.755 114.554 0.070 0.000 2.829 631 T HA 0.649 4.998 4.350 -0.001 0.000 0.282 631 T C -1.014 173.600 174.700 -0.143 0.000 0.990 631 T CA 0.246 62.427 62.100 0.135 0.000 1.028 631 T CB 0.343 69.290 68.868 0.132 0.000 0.951 631 T HN 0.444 nan 8.240 nan 0.000 0.460 632 Y N 0.307 120.680 120.300 0.121 0.000 2.634 632 Y HA 0.680 5.229 4.550 -0.001 0.000 0.340 632 Y C -0.341 175.470 175.900 -0.149 0.000 1.058 632 Y CA -1.170 56.916 58.100 -0.024 0.000 1.081 632 Y CB 1.700 40.160 38.460 -0.000 0.000 1.295 632 Y HN 0.310 nan 8.280 nan 0.000 0.487 633 V N 2.921 122.794 119.914 -0.069 0.000 2.588 633 V HA 0.442 4.561 4.120 -0.001 0.000 0.304 633 V C -0.839 175.197 176.094 -0.096 0.000 1.042 633 V CA -0.965 61.236 62.300 -0.164 0.000 0.877 633 V CB 1.798 33.464 31.823 -0.263 0.000 0.996 633 V HN 0.487 nan 8.190 nan 0.000 0.425 634 L N 3.843 125.039 121.223 -0.045 0.000 2.296 634 L HA 0.696 5.036 4.340 -0.001 0.000 0.286 634 L C -0.137 176.752 176.870 0.032 0.000 1.023 634 L CA -0.143 54.686 54.840 -0.018 0.000 0.812 634 L CB 1.797 43.859 42.059 0.004 0.000 1.223 634 L HN 0.607 nan 8.230 nan 0.000 0.421 635 T N 3.692 118.268 114.554 0.037 0.000 2.848 635 T HA 0.459 4.809 4.350 -0.001 0.000 0.285 635 T C -0.235 174.515 174.700 0.083 0.000 0.995 635 T CA -0.383 61.752 62.100 0.059 0.000 0.970 635 T CB 2.355 71.248 68.868 0.042 0.000 0.976 635 T HN 0.383 nan 8.240 nan 0.000 0.441 636 I N 3.203 123.831 120.570 0.096 0.000 2.581 636 I HA 0.523 4.692 4.170 -0.001 0.000 0.288 636 I C 0.306 176.488 176.117 0.109 0.000 1.047 636 I CA 0.164 61.537 61.300 0.120 0.000 1.374 636 I CB 0.731 38.805 38.000 0.123 0.000 1.423 636 I HN 0.825 nan 8.210 nan 0.000 0.549 637 S N 3.087 118.868 115.700 0.135 0.000 2.667 637 S HA 0.357 4.827 4.470 -0.001 0.000 0.292 637 S C 0.041 174.675 174.600 0.057 0.000 1.126 637 S CA -0.485 57.760 58.200 0.076 0.000 0.881 637 S CB 1.580 64.810 63.200 0.049 0.000 1.132 637 S HN 0.699 nan 8.310 nan 0.000 0.492 638 D N 0.396 120.771 120.400 -0.041 0.000 2.317 638 D HA 0.107 4.746 4.640 -0.001 0.000 0.211 638 D C 0.924 176.975 176.300 -0.415 0.000 0.966 638 D CA 0.911 54.847 54.000 -0.106 0.000 0.876 638 D CB -0.282 40.472 40.800 -0.077 0.000 0.927 638 D HN 0.637 nan 8.370 nan 0.000 0.519 639 S N -1.638 113.735 115.700 -0.545 0.000 2.794 639 S HA 0.409 4.879 4.470 -0.001 0.000 0.299 639 S C -0.633 173.558 174.600 -0.682 0.000 1.179 639 S CA -1.242 56.377 58.200 -0.969 0.000 0.838 639 S CB 1.450 64.348 63.200 -0.503 0.000 1.206 639 S HN -0.064 nan 8.310 nan 0.000 0.523 640 K N 1.933 122.041 120.400 -0.487 0.000 2.437 640 K HA 0.189 4.508 4.320 -0.001 0.000 0.277 640 K C -2.420 174.218 176.600 0.064 0.000 1.073 640 K CA -0.600 55.716 56.287 0.048 0.000 1.105 640 K CB -0.591 31.963 32.500 0.090 0.000 0.881 640 K HN 0.372 nan 8.250 nan 0.000 0.475 641 P HA -0.013 nan 4.420 nan 0.000 0.272 641 P C 0.548 177.879 177.300 0.052 0.000 1.223 641 P CA -0.279 62.878 63.100 0.096 0.000 0.784 641 P CB 0.731 32.512 31.700 0.134 0.000 0.923 642 E N 1.179 121.371 120.200 -0.013 0.000 2.118 642 E HA -0.249 4.101 4.350 -0.001 0.000 0.195 642 E C 0.529 176.960 176.600 -0.282 0.000 0.992 642 E CA 1.226 57.521 56.400 -0.174 0.000 0.804 642 E CB -0.025 29.503 29.700 -0.287 0.000 0.741 642 E HN 0.504 nan 8.360 nan 0.000 0.458 643 H N -0.889 118.195 119.070 0.023 0.000 2.505 643 H HA 0.220 4.776 4.556 -0.001 0.000 0.286 643 H C -0.414 174.912 175.328 -0.003 0.000 1.072 643 H CA 0.158 56.214 56.048 0.013 0.000 1.141 643 H CB 0.812 30.581 29.762 0.010 0.000 1.550 643 H HN -0.048 nan 8.280 nan 0.000 0.547 644 T N 1.524 116.110 114.554 0.052 0.000 2.792 644 T HA 0.317 4.666 4.350 -0.001 0.000 0.280 644 T C 0.333 174.927 174.700 -0.177 0.000 0.990 644 T CA -0.691 61.370 62.100 -0.064 0.000 0.960 644 T CB 2.184 71.007 68.868 -0.074 0.000 0.939 644 T HN 0.264 nan 8.240 nan 0.000 0.439 645 S N 2.297 117.844 115.700 -0.255 0.000 2.718 645 S HA 0.780 5.250 4.470 -0.001 0.000 0.300 645 S C -1.396 172.859 174.600 -0.575 0.000 1.117 645 S CA -0.815 57.247 58.200 -0.231 0.000 1.002 645 S CB 0.865 64.037 63.200 -0.047 0.000 1.092 645 S HN 0.576 nan 8.310 nan 0.000 0.542 646 Y N 0.055 120.354 120.300 -0.000 0.000 2.376 646 Y HA 0.645 5.195 4.550 -0.001 0.000 0.340 646 Y C 0.599 176.540 175.900 0.068 0.000 0.965 646 Y CA -0.784 57.295 58.100 -0.034 0.000 1.078 646 Y CB 1.648 39.950 38.460 -0.264 0.000 1.193 646 Y HN 1.036 nan 8.280 nan 0.000 0.452 647 A N 2.154 125.146 122.820 0.287 0.000 2.445 647 A HA 0.457 4.777 4.320 -0.001 0.000 0.242 647 A C 0.139 177.912 177.584 0.316 0.000 1.075 647 A CA -0.293 51.908 52.037 0.274 0.000 0.777 647 A CB 0.051 19.216 19.000 0.275 0.000 1.013 647 A HN 0.707 nan 8.150 nan 0.000 0.493 648 S N 1.402 117.229 115.700 0.211 0.000 2.632 648 S HA 0.407 4.876 4.470 -0.001 0.000 0.271 648 S C -0.053 174.645 174.600 0.164 0.000 1.260 648 S CA -0.698 57.612 58.200 0.183 0.000 1.010 648 S CB 0.476 63.742 63.200 0.110 0.000 0.965 648 S HN 0.742 nan 8.310 nan 0.000 0.534 649 N N 1.046 119.823 118.700 0.128 0.000 2.310 649 N HA 0.462 5.201 4.740 -0.001 0.000 0.292 649 N C -1.835 173.628 175.510 -0.077 0.000 1.049 649 N CA -0.551 52.535 53.050 0.061 0.000 0.849 649 N CB 2.255 40.866 38.487 0.207 0.000 1.532 649 N HN 0.343 nan 8.380 nan 0.000 0.479 650 L N 2.653 123.788 121.223 -0.147 0.000 2.406 650 L HA 0.488 4.828 4.340 -0.001 0.000 0.272 650 L C -1.516 175.208 176.870 -0.244 0.000 0.980 650 L CA -0.562 54.160 54.840 -0.196 0.000 0.831 650 L CB 1.510 43.507 42.059 -0.104 0.000 1.253 650 L HN 0.426 nan 8.230 nan 0.000 0.406 651 L N 6.678 127.709 121.223 -0.321 0.000 2.265 651 L HA 0.472 4.811 4.340 -0.001 0.000 0.289 651 L C -1.191 175.659 176.870 -0.033 0.000 1.033 651 L CA -0.380 54.337 54.840 -0.206 0.000 0.814 651 L CB 1.253 43.189 42.059 -0.205 0.000 1.203 651 L HN 0.679 nan 8.230 nan 0.000 0.423 652 L N 7.258 128.478 121.223 -0.006 0.000 2.276 652 L HA 0.580 4.920 4.340 -0.001 0.000 0.286 652 L C -0.098 176.812 176.870 0.065 0.000 1.024 652 L CA -0.468 54.397 54.840 0.041 0.000 0.826 652 L CB 0.953 43.028 42.059 0.026 0.000 1.211 652 L HN 0.645 nan 8.230 nan 0.000 0.422 653 R N 2.035 122.583 120.500 0.081 0.000 2.739 653 R HA 0.428 4.767 4.340 -0.001 0.000 0.266 653 R C -1.673 174.661 176.300 0.057 0.000 1.044 653 R CA -1.109 55.033 56.100 0.070 0.000 0.885 653 R CB 1.372 31.714 30.300 0.070 0.000 1.260 653 R HN 0.233 nan 8.270 nan 0.000 0.477 654 K N 1.491 121.915 120.400 0.039 0.000 2.202 654 K HA 0.105 4.425 4.320 -0.001 0.000 0.264 654 K C -0.136 176.464 176.600 0.000 0.000 1.010 654 K CA -0.408 55.892 56.287 0.021 0.000 0.940 654 K CB 0.286 32.797 32.500 0.019 0.000 0.983 654 K HN 0.806 nan 8.250 nan 0.000 0.475 655 N N 0.847 119.535 118.700 -0.020 0.000 2.746 655 N HA -0.103 4.636 4.740 -0.001 0.000 0.250 655 N C -2.590 172.870 175.510 -0.083 0.000 1.055 655 N CA 0.095 53.116 53.050 -0.050 0.000 0.699 655 N CB -0.799 37.663 38.487 -0.041 0.000 0.919 655 N HN 0.438 nan 8.380 nan 0.000 0.548 656 P HA 0.287 nan 4.420 nan 0.000 0.274 656 P C -0.227 176.903 177.300 -0.284 0.000 1.237 656 P CA -0.068 62.931 63.100 -0.169 0.000 0.793 656 P CB 0.988 32.566 31.700 -0.204 0.000 0.977 657 T N -2.645 111.738 114.554 -0.284 0.000 2.916 657 T HA 0.493 4.842 4.350 -0.001 0.000 0.292 657 T C 0.238 174.763 174.700 -0.292 0.000 1.064 657 T CA -0.769 61.168 62.100 -0.272 0.000 1.011 657 T CB 0.656 69.430 68.868 -0.158 0.000 1.152 657 T HN 0.473 nan 8.240 nan 0.000 0.510 658 S N 0.742 116.319 115.700 -0.205 0.000 2.569 658 S HA 0.371 4.840 4.470 -0.001 0.000 0.274 658 S C -0.140 174.556 174.600 0.160 0.000 1.353 658 S CA -0.732 57.446 58.200 -0.036 0.000 1.023 658 S CB -0.347 62.848 63.200 -0.009 0.000 0.876 658 S HN 0.698 nan 8.310 nan 0.000 0.540 659 L N 2.308 123.726 121.223 0.325 0.000 2.481 659 L HA 0.372 4.712 4.340 -0.001 0.000 0.255 659 L C -2.359 174.615 176.870 0.174 0.000 1.192 659 L CA -1.595 53.409 54.840 0.273 0.000 0.924 659 L CB 1.604 43.901 42.059 0.395 0.000 1.179 659 L HN 0.595 nan 8.230 nan 0.000 0.491 660 P HA 0.208 nan 4.420 nan 0.000 0.274 660 P C -0.025 177.274 177.300 -0.001 0.000 1.231 660 P CA -0.194 62.942 63.100 0.059 0.000 0.790 660 P CB 1.759 33.483 31.700 0.041 0.000 0.951 661 L N 0.837 122.069 121.223 0.015 0.000 3.358 661 L HA 0.284 4.623 4.340 -0.001 0.000 0.301 661 L C 1.377 178.317 176.870 0.116 0.000 1.276 661 L CA -0.016 54.813 54.840 -0.018 0.000 1.028 661 L CB 0.080 42.097 42.059 -0.070 0.000 1.421 661 L HN 0.739 nan 8.230 nan 0.000 0.604 662 G N 1.060 109.911 108.800 0.085 0.000 2.591 662 G HA2 -0.409 3.551 3.960 -0.001 0.000 0.298 662 G HA3 -0.409 3.551 3.960 -0.001 0.000 0.298 662 G C 0.543 175.503 174.900 0.099 0.000 1.195 662 G CA 0.689 45.855 45.100 0.110 0.000 0.989 662 G HN 0.420 nan 8.290 nan 0.000 0.551 663 Q N -0.469 119.375 119.800 0.073 0.000 2.472 663 Q HA 0.144 4.484 4.340 -0.001 0.000 0.208 663 Q C 0.865 176.715 176.000 -0.250 0.000 0.958 663 Q CA 0.328 56.078 55.803 -0.088 0.000 0.932 663 Q CB 0.205 28.817 28.738 -0.210 0.000 1.007 663 Q HN 0.497 nan 8.270 nan 0.000 0.508 664 Y N 3.611 123.724 120.300 -0.311 0.000 2.802 664 Y HA -0.049 4.501 4.550 -0.001 0.000 0.333 664 Y C -1.427 174.330 175.900 -0.238 0.000 1.244 664 Y CA -1.587 56.305 58.100 -0.347 0.000 1.558 664 Y CB 0.814 39.220 38.460 -0.091 0.000 1.233 664 Y HN 0.056 nan 8.280 nan 0.000 0.547 665 P HA -0.054 nan 4.420 nan 0.000 0.233 665 P C -0.441 176.705 177.300 -0.257 0.000 1.167 665 P CA 0.873 63.709 63.100 -0.439 0.000 0.770 665 P CB 0.473 31.799 31.700 -0.624 0.000 0.837 666 E N 0.682 120.754 120.200 -0.215 0.000 2.158 666 E HA 0.251 4.601 4.350 -0.001 0.000 0.271 666 E C -0.656 176.060 176.600 0.192 0.000 0.911 666 E CA -0.628 55.792 56.400 0.033 0.000 0.767 666 E CB 0.388 30.143 29.700 0.092 0.000 1.120 666 E HN -0.097 nan 8.360 nan 0.000 0.405 667 D N 1.631 122.106 120.400 0.125 0.000 2.389 667 D HA 0.065 4.704 4.640 -0.001 0.000 0.247 667 D C -0.102 176.266 176.300 0.112 0.000 1.128 667 D CA -0.153 53.926 54.000 0.132 0.000 0.884 667 D CB 0.874 41.739 40.800 0.107 0.000 1.194 667 D HN 0.102 nan 8.370 nan 0.000 0.441 668 V N 3.627 123.595 119.914 0.090 0.000 2.763 668 V HA -0.024 4.096 4.120 -0.001 0.000 0.306 668 V C 0.826 176.773 176.094 -0.245 0.000 1.059 668 V CA 0.159 62.416 62.300 -0.072 0.000 1.138 668 V CB 0.369 32.127 31.823 -0.108 0.000 0.940 668 V HN 0.321 nan 8.190 nan 0.000 0.489 669 K N 3.563 123.749 120.400 -0.356 0.000 2.166 669 K HA 0.670 4.990 4.320 -0.001 0.000 0.245 669 K C -0.959 175.266 176.600 -0.624 0.000 0.967 669 K CA -0.382 55.728 56.287 -0.295 0.000 0.863 669 K CB 1.764 34.211 32.500 -0.088 0.000 1.107 669 K HN 0.417 nan 8.250 nan 0.000 0.436 670 F N -0.926 119.037 119.950 0.021 0.000 2.577 670 F HA 0.696 5.223 4.527 -0.001 0.000 0.318 670 F C 0.636 176.441 175.800 0.008 0.000 1.065 670 F CA -0.646 57.358 58.000 0.007 0.000 0.929 670 F CB 2.714 41.716 39.000 0.004 0.000 1.237 670 F HN 0.596 nan 8.300 nan 0.000 0.468 671 G N 0.358 109.266 108.800 0.180 0.000 2.601 671 G HA2 0.405 4.364 3.960 -0.001 0.000 0.291 671 G HA3 0.405 4.364 3.960 -0.001 0.000 0.291 671 G C -2.153 172.801 174.900 0.089 0.000 1.456 671 G CA -0.848 44.317 45.100 0.108 0.000 0.804 671 G HN 0.370 nan 8.290 nan 0.000 0.499 672 D N 0.931 121.370 120.400 0.066 0.000 2.382 672 D HA 0.374 5.014 4.640 -0.001 0.000 0.240 672 D C -1.933 174.398 176.300 0.051 0.000 1.146 672 D CA -0.527 53.505 54.000 0.054 0.000 0.897 672 D CB 0.916 41.742 40.800 0.042 0.000 1.197 672 D HN 0.011 nan 8.370 nan 0.000 0.432 673 P HA 0.060 nan 4.420 nan 0.000 0.264 673 P C -0.477 176.853 177.300 0.049 0.000 1.183 673 P CA 0.417 63.548 63.100 0.052 0.000 0.763 673 P CB 0.389 32.122 31.700 0.055 0.000 0.807 674 R N 0.381 120.912 120.500 0.052 0.000 2.690 674 R HA 0.413 4.753 4.340 -0.001 0.000 0.269 674 R C -1.137 175.202 176.300 0.065 0.000 1.037 674 R CA -1.011 55.120 56.100 0.051 0.000 0.877 674 R CB 1.121 31.447 30.300 0.043 0.000 1.255 674 R HN 0.229 nan 8.270 nan 0.000 0.467 675 E N 1.660 121.899 120.200 0.065 0.000 2.398 675 E HA 0.239 4.588 4.350 -0.001 0.000 0.263 675 E C -0.030 176.626 176.600 0.093 0.000 1.046 675 E CA 0.065 56.517 56.400 0.086 0.000 0.908 675 E CB 0.801 30.536 29.700 0.058 0.000 0.963 675 E HN 0.451 nan 8.360 nan 0.000 0.431 676 I N -1.940 118.718 120.570 0.147 0.000 2.994 676 I HA 0.566 4.735 4.170 -0.001 0.000 0.306 676 I C -0.727 175.530 176.117 0.233 0.000 1.195 676 I CA -0.815 60.573 61.300 0.146 0.000 1.001 676 I CB 2.383 40.443 38.000 0.100 0.000 1.244 676 I HN 0.250 nan 8.210 nan 0.000 0.437 677 S N 3.512 119.321 115.700 0.183 0.000 2.536 677 S HA 0.871 5.341 4.470 -0.001 0.000 0.287 677 S C -1.222 173.493 174.600 0.192 0.000 1.101 677 S CA -0.550 57.771 58.200 0.202 0.000 0.950 677 S CB 1.148 64.417 63.200 0.115 0.000 1.056 677 S HN 0.667 nan 8.310 nan 0.000 0.481 678 L N 3.239 124.602 121.223 0.234 0.000 2.409 678 L HA 0.694 5.033 4.340 -0.001 0.000 0.262 678 L C -0.432 176.531 176.870 0.155 0.000 0.992 678 L CA -0.754 54.195 54.840 0.182 0.000 0.817 678 L CB 2.427 44.607 42.059 0.202 0.000 1.350 678 L HN 0.661 nan 8.230 nan 0.000 0.411 679 R N 1.681 122.249 120.500 0.114 0.000 2.515 679 R HA 0.653 4.992 4.340 -0.001 0.000 0.291 679 R C -1.979 174.368 176.300 0.078 0.000 1.046 679 R CA -0.482 55.673 56.100 0.092 0.000 0.914 679 R CB 2.228 32.573 30.300 0.076 0.000 1.191 679 R HN 0.401 nan 8.270 nan 0.000 0.435 680 V N 4.687 124.646 119.914 0.074 0.000 2.427 680 V HA 0.550 4.670 4.120 -0.001 0.000 0.286 680 V C 1.126 177.252 176.094 0.053 0.000 1.034 680 V CA 0.626 62.964 62.300 0.064 0.000 0.893 680 V CB 1.089 32.952 31.823 0.066 0.000 0.982 680 V HN 1.112 nan 8.190 nan 0.000 0.452 681 G N 5.033 113.862 108.800 0.048 0.000 2.596 681 G HA2 -0.298 3.661 3.960 -0.001 0.000 0.295 681 G HA3 -0.298 3.661 3.960 -0.001 0.000 0.295 681 G C 0.455 175.377 174.900 0.036 0.000 1.240 681 G CA 0.583 45.707 45.100 0.041 0.000 0.985 681 G HN 0.690 nan 8.290 nan 0.000 0.555 682 N N 2.406 121.123 118.700 0.029 0.000 2.279 682 N HA 0.289 5.029 4.740 -0.001 0.000 0.226 682 N C 1.050 176.571 175.510 0.019 0.000 1.126 682 N CA 0.889 53.953 53.050 0.022 0.000 0.846 682 N CB 0.494 38.991 38.487 0.017 0.000 1.050 682 N HN 0.796 nan 8.380 nan 0.000 0.502 683 G N 1.445 110.261 108.800 0.026 0.000 2.509 683 G HA2 0.287 4.247 3.960 -0.001 0.000 0.269 683 G HA3 0.287 4.247 3.960 -0.001 0.000 0.269 683 G C -2.414 172.498 174.900 0.022 0.000 1.416 683 G CA -0.672 44.442 45.100 0.023 0.000 1.052 683 G HN -0.005 nan 8.290 nan 0.000 0.542 684 P HA 0.233 nan 4.420 nan 0.000 0.274 684 P C -0.595 176.727 177.300 0.037 0.000 1.237 684 P CA 0.023 63.132 63.100 0.015 0.000 0.793 684 P CB 0.913 32.618 31.700 0.009 0.000 0.977 685 T N 2.320 116.895 114.554 0.034 0.000 2.749 685 T HA 0.463 4.813 4.350 -0.001 0.000 0.287 685 T C 0.011 174.751 174.700 0.066 0.000 0.970 685 T CA -0.366 61.777 62.100 0.072 0.000 0.980 685 T CB 0.104 69.028 68.868 0.092 0.000 0.924 685 T HN 0.177 nan 8.240 nan 0.000 0.456 686 L N 2.740 124.008 121.223 0.075 0.000 2.322 686 L HA 0.767 5.107 4.340 -0.001 0.000 0.281 686 L C 0.199 177.020 176.870 -0.083 0.000 1.014 686 L CA -1.140 53.668 54.840 -0.053 0.000 0.815 686 L CB 1.520 43.540 42.059 -0.066 0.000 1.247 686 L HN 0.644 nan 8.230 nan 0.000 0.421 687 A N 3.309 125.992 122.820 -0.229 0.000 2.324 687 A HA 0.859 5.179 4.320 -0.001 0.000 0.330 687 A C -1.173 176.190 177.584 -0.368 0.000 1.165 687 A CA -0.301 51.654 52.037 -0.138 0.000 0.813 687 A CB 0.736 19.690 19.000 -0.076 0.000 1.197 687 A HN 0.501 nan 8.150 nan 0.000 0.484 688 F N 0.842 120.831 119.950 0.065 0.000 2.546 688 F HA 0.534 5.060 4.527 -0.001 0.000 0.320 688 F C 1.103 176.947 175.800 0.073 0.000 1.076 688 F CA -0.308 57.748 58.000 0.092 0.000 0.928 688 F CB 2.137 41.195 39.000 0.098 0.000 1.189 688 F HN 0.676 nan 8.300 nan 0.000 0.465 689 S N 0.078 115.936 115.700 0.263 0.000 2.608 689 S HA 0.096 4.566 4.470 -0.001 0.000 0.261 689 S C 1.070 175.773 174.600 0.172 0.000 1.314 689 S CA -0.045 58.258 58.200 0.171 0.000 0.992 689 S CB 0.687 63.985 63.200 0.164 0.000 0.935 689 S HN 0.852 nan 8.310 nan 0.000 0.564 690 E N -0.065 120.204 120.200 0.116 0.000 2.401 690 E HA -0.218 4.131 4.350 -0.001 0.000 0.199 690 E C 1.298 177.961 176.600 0.105 0.000 1.023 690 E CA 1.094 57.553 56.400 0.098 0.000 0.859 690 E CB -0.434 29.309 29.700 0.071 0.000 0.780 690 E HN 0.779 nan 8.360 nan 0.000 0.523 691 Q N 0.015 119.891 119.800 0.128 0.000 2.320 691 Q HA 0.210 4.550 4.340 -0.001 0.000 0.201 691 Q C 0.826 176.917 176.000 0.152 0.000 0.910 691 Q CA 0.439 56.317 55.803 0.126 0.000 0.946 691 Q CB 0.939 29.753 28.738 0.126 0.000 1.062 691 Q HN 0.481 nan 8.270 nan 0.000 0.503 692 G N 0.488 109.398 108.800 0.184 0.000 2.143 692 G HA2 -0.269 3.690 3.960 -0.001 0.000 0.248 692 G HA3 -0.269 3.690 3.960 -0.001 0.000 0.248 692 G C -0.306 174.820 174.900 0.377 0.000 0.991 692 G CA -0.157 45.061 45.100 0.195 0.000 0.689 692 G HN 0.263 nan 8.290 nan 0.000 0.522 693 L N -0.179 121.303 121.223 0.432 0.000 2.329 693 L HA 0.676 5.016 4.340 -0.001 0.000 0.279 693 L C 0.772 177.931 176.870 0.481 0.000 1.014 693 L CA -1.375 53.760 54.840 0.491 0.000 0.814 693 L CB 1.613 43.868 42.059 0.326 0.000 1.257 693 L HN 0.134 nan 8.230 nan 0.000 0.424 694 L N 3.455 124.934 121.223 0.427 0.000 2.559 694 L HA -0.053 4.286 4.340 -0.001 0.000 0.282 694 L C 1.080 178.008 176.870 0.096 0.000 1.232 694 L CA 0.938 55.775 54.840 -0.005 0.000 0.885 694 L CB 0.170 42.260 42.059 0.052 0.000 1.131 694 L HN 0.805 nan 8.230 nan 0.000 0.498 695 K N 1.391 121.750 120.400 -0.068 0.000 2.474 695 K HA 0.312 4.632 4.320 -0.001 0.000 0.202 695 K C -0.065 176.471 176.600 -0.106 0.000 1.248 695 K CA 0.329 56.596 56.287 -0.033 0.000 0.946 695 K CB 0.424 32.884 32.500 -0.067 0.000 1.102 695 K HN 0.603 nan 8.250 nan 0.000 0.541 696 S N 0.384 115.997 115.700 -0.144 0.000 2.565 696 S HA 0.592 5.061 4.470 -0.001 0.000 0.269 696 S C -1.086 173.458 174.600 -0.094 0.000 1.153 696 S CA -1.008 57.133 58.200 -0.099 0.000 0.835 696 S CB 1.340 64.521 63.200 -0.032 0.000 1.122 696 S HN 0.181 nan 8.310 nan 0.000 0.462 697 I N 1.468 122.003 120.570 -0.058 0.000 2.466 697 I HA 0.454 4.624 4.170 -0.001 0.000 0.289 697 I C -0.556 175.538 176.117 -0.037 0.000 1.026 697 I CA -0.393 60.877 61.300 -0.049 0.000 1.078 697 I CB 2.121 40.080 38.000 -0.069 0.000 1.249 697 I HN 0.723 nan 8.210 nan 0.000 0.429 698 Q N 6.087 125.862 119.800 -0.043 0.000 2.368 698 Q HA 0.412 4.751 4.340 -0.001 0.000 0.263 698 Q C 0.049 175.992 176.000 -0.096 0.000 1.009 698 Q CA -0.513 55.201 55.803 -0.149 0.000 0.818 698 Q CB 1.686 30.222 28.738 -0.336 0.000 1.239 698 Q HN 0.783 nan 8.270 nan 0.000 0.464 699 L N 2.031 123.201 121.223 -0.088 0.000 2.056 699 L HA -0.037 4.302 4.340 -0.001 0.000 0.207 699 L C 1.228 178.068 176.870 -0.049 0.000 1.078 699 L CA 1.360 56.166 54.840 -0.057 0.000 0.749 699 L CB -0.287 41.740 42.059 -0.053 0.000 0.901 699 L HN 0.681 nan 8.230 nan 0.000 0.433 700 T N -6.790 107.725 114.554 -0.064 0.000 2.804 700 T HA 0.192 4.541 4.350 -0.001 0.000 0.290 700 T C 0.562 175.226 174.700 -0.059 0.000 1.099 700 T CA -0.826 61.245 62.100 -0.048 0.000 1.011 700 T CB 1.704 70.549 68.868 -0.038 0.000 1.291 700 T HN -0.149 nan 8.240 nan 0.000 0.523 701 Q N 0.869 120.647 119.800 -0.035 0.000 2.112 701 Q HA -0.164 4.176 4.340 -0.001 0.000 0.206 701 Q C 1.675 177.650 176.000 -0.041 0.000 0.987 701 Q CA 2.499 58.286 55.803 -0.027 0.000 0.858 701 Q CB -0.295 28.437 28.738 -0.009 0.000 0.905 701 Q HN 0.907 nan 8.270 nan 0.000 0.420 702 D N -0.747 119.627 120.400 -0.044 0.000 2.367 702 D HA -0.023 4.617 4.640 -0.001 0.000 0.207 702 D C 0.648 176.909 176.300 -0.066 0.000 1.034 702 D CA 0.178 54.153 54.000 -0.041 0.000 0.861 702 D CB 0.060 40.845 40.800 -0.025 0.000 0.943 702 D HN 0.022 nan 8.370 nan 0.000 0.515 703 S N 0.921 116.564 115.700 -0.095 0.000 2.614 703 S HA 0.391 4.861 4.470 -0.001 0.000 0.265 703 S C -2.565 171.934 174.600 -0.169 0.000 1.303 703 S CA -1.084 57.051 58.200 -0.107 0.000 1.000 703 S CB 0.867 64.010 63.200 -0.096 0.000 0.935 703 S HN -0.148 nan 8.310 nan 0.000 0.551 704 P HA 0.157 nan 4.420 nan 0.000 0.271 704 P C -0.570 176.621 177.300 -0.181 0.000 1.218 704 P CA -0.111 62.928 63.100 -0.102 0.000 0.780 704 P CB 0.136 31.819 31.700 -0.028 0.000 0.901 705 H N 1.045 120.104 119.070 -0.018 0.000 3.067 705 H HA 0.129 4.684 4.556 -0.001 0.000 0.265 705 H C -0.117 175.182 175.328 -0.049 0.000 1.234 705 H CA -0.219 55.808 56.048 -0.035 0.000 1.452 705 H CB -0.160 29.582 29.762 -0.033 0.000 1.527 705 H HN 0.113 nan 8.280 nan 0.000 0.486 706 V N 7.027 126.944 119.914 0.005 0.000 2.470 706 V HA 0.066 4.185 4.120 -0.001 0.000 0.276 706 V C -1.864 174.174 176.094 -0.092 0.000 1.040 706 V CA -1.583 60.695 62.300 -0.037 0.000 1.008 706 V CB 0.833 32.626 31.823 -0.050 0.000 0.990 706 V HN 0.543 nan 8.190 nan 0.000 0.477 707 P HA 0.171 nan 4.420 nan 0.000 0.266 707 P C -0.815 176.342 177.300 -0.238 0.000 1.215 707 P CA 0.245 63.182 63.100 -0.271 0.000 0.763 707 P CB 0.466 31.822 31.700 -0.573 0.000 0.806 708 V N 4.310 124.119 119.914 -0.176 0.000 2.559 708 V HA 0.225 4.345 4.120 -0.001 0.000 0.289 708 V C -0.793 175.211 176.094 -0.150 0.000 1.036 708 V CA -0.428 61.758 62.300 -0.189 0.000 0.887 708 V CB 1.217 32.915 31.823 -0.208 0.000 1.022 708 V HN 0.535 nan 8.190 nan 0.000 0.442 709 H N 4.514 123.429 119.070 -0.259 0.000 2.505 709 H HA 0.672 5.228 4.556 -0.001 0.000 0.338 709 H C -1.242 173.964 175.328 -0.204 0.000 1.057 709 H CA -1.051 54.888 56.048 -0.181 0.000 1.202 709 H CB 1.119 30.814 29.762 -0.112 0.000 1.466 709 H HN 0.390 nan 8.280 nan 0.000 0.499 710 F N 3.873 123.555 119.950 -0.446 0.000 2.412 710 F HA 0.368 4.895 4.527 -0.001 0.000 0.348 710 F C 0.433 175.732 175.800 -0.834 0.000 1.102 710 F CA -0.033 57.644 58.000 -0.538 0.000 1.196 710 F CB 0.879 39.687 39.000 -0.320 0.000 1.144 710 F HN 0.445 nan 8.300 nan 0.000 0.541 711 K N 3.445 123.589 120.400 -0.427 0.000 2.525 711 K HA 0.483 4.802 4.320 -0.001 0.000 0.254 711 K C -1.928 174.419 176.600 -0.423 0.000 0.934 711 K CA -0.560 55.519 56.287 -0.347 0.000 0.802 711 K CB 1.271 33.630 32.500 -0.236 0.000 1.295 711 K HN 0.385 nan 8.250 nan 0.000 0.433 712 F N 4.159 124.032 119.950 -0.128 0.000 2.420 712 F HA 0.482 5.009 4.527 -0.001 0.000 0.342 712 F C -0.315 175.443 175.800 -0.070 0.000 1.113 712 F CA -0.573 57.366 58.000 -0.101 0.000 1.059 712 F CB 1.101 40.027 39.000 -0.123 0.000 1.128 712 F HN 0.238 nan 8.300 nan 0.000 0.475 713 L N 2.738 124.008 121.223 0.078 0.000 2.303 713 L HA 0.628 4.967 4.340 -0.001 0.000 0.256 713 L C -1.091 175.777 176.870 -0.003 0.000 1.034 713 L CA -1.030 53.805 54.840 -0.007 0.000 0.832 713 L CB 2.234 44.227 42.059 -0.110 0.000 1.403 713 L HN 0.488 nan 8.230 nan 0.000 0.419 714 K N -0.325 120.035 120.400 -0.065 0.000 2.378 714 K HA 0.651 4.971 4.320 -0.001 0.000 0.252 714 K C -1.763 174.779 176.600 -0.096 0.000 0.931 714 K CA -0.786 55.492 56.287 -0.015 0.000 0.794 714 K CB 1.667 34.187 32.500 0.034 0.000 1.181 714 K HN 0.261 nan 8.250 nan 0.000 0.425 715 Y N 0.682 121.044 120.300 0.103 0.000 2.376 715 Y HA 0.513 5.063 4.550 -0.001 0.000 0.325 715 Y C 1.034 176.992 175.900 0.098 0.000 1.199 715 Y CA 0.070 58.243 58.100 0.122 0.000 1.206 715 Y CB 2.097 40.695 38.460 0.231 0.000 1.229 715 Y HN 0.920 nan 8.280 nan 0.000 0.480 716 G N 0.465 109.412 108.800 0.245 0.000 2.971 716 G HA2 0.640 4.599 3.960 -0.001 0.000 0.235 716 G HA3 0.640 4.599 3.960 -0.001 0.000 0.235 716 G C -1.469 173.508 174.900 0.129 0.000 1.351 716 G CA -0.748 44.442 45.100 0.150 0.000 1.039 716 G HN 0.436 nan 8.290 nan 0.000 0.563 717 V N -0.169 119.791 119.914 0.077 0.000 2.864 717 V HA 0.472 4.591 4.120 -0.001 0.000 0.314 717 V C -0.048 176.056 176.094 0.017 0.000 1.073 717 V CA -0.881 61.445 62.300 0.043 0.000 0.956 717 V CB 1.954 33.803 31.823 0.044 0.000 1.023 717 V HN 0.680 nan 8.190 nan 0.000 0.435 718 R N 1.286 121.775 120.500 -0.019 0.000 2.543 718 R HA 0.191 4.531 4.340 -0.001 0.000 0.277 718 R C 1.195 177.486 176.300 -0.015 0.000 1.074 718 R CA 0.448 56.522 56.100 -0.043 0.000 1.076 718 R CB 0.592 30.816 30.300 -0.126 0.000 0.993 718 R HN 0.915 nan 8.270 nan 0.000 0.459 719 S N 1.460 117.176 115.700 0.025 0.000 2.528 719 S HA -0.040 4.430 4.470 -0.001 0.000 0.219 719 S C 0.558 175.227 174.600 0.116 0.000 0.985 719 S CA 0.017 58.256 58.200 0.065 0.000 0.914 719 S CB -0.199 63.048 63.200 0.079 0.000 0.776 719 S HN 0.798 nan 8.310 nan 0.000 0.526 720 H N -1.030 118.041 119.070 0.002 0.000 2.946 720 H HA 0.596 5.151 4.556 -0.001 0.000 0.365 720 H C 0.541 175.867 175.328 -0.004 0.000 1.197 720 H CA -0.218 55.829 56.048 -0.001 0.000 1.131 720 H CB 1.096 30.858 29.762 -0.001 0.000 1.849 720 H HN 0.427 nan 8.280 nan 0.000 0.555 721 G N 1.519 110.269 108.800 -0.084 0.000 2.598 721 G HA2 -0.251 3.709 3.960 -0.001 0.000 0.244 721 G HA3 -0.251 3.709 3.960 -0.001 0.000 0.244 721 G C -0.952 173.885 174.900 -0.105 0.000 1.302 721 G CA 0.056 45.076 45.100 -0.133 0.000 0.903 721 G HN 0.827 nan 8.290 nan 0.000 0.575 722 D N 1.207 121.545 120.400 -0.103 0.000 2.424 722 D HA 0.479 5.119 4.640 -0.001 0.000 0.244 722 D C 1.016 177.273 176.300 -0.072 0.000 1.134 722 D CA 0.401 54.357 54.000 -0.074 0.000 0.881 722 D CB 0.708 41.467 40.800 -0.068 0.000 1.191 722 D HN 0.473 nan 8.370 nan 0.000 0.445 723 R N 0.654 121.126 120.500 -0.047 0.000 2.474 723 R HA 0.324 4.663 4.340 -0.001 0.000 0.295 723 R C 0.086 176.374 176.300 -0.020 0.000 0.980 723 R CA -0.508 55.575 56.100 -0.029 0.000 0.934 723 R CB 1.080 31.374 30.300 -0.010 0.000 1.101 723 R HN 0.236 nan 8.270 nan 0.000 0.469 724 S N 0.608 116.307 115.700 -0.001 0.000 2.563 724 S HA 0.402 4.872 4.470 -0.001 0.000 0.284 724 S C 0.429 175.048 174.600 0.031 0.000 1.331 724 S CA 0.323 58.541 58.200 0.028 0.000 1.047 724 S CB 0.923 64.172 63.200 0.081 0.000 0.859 724 S HN 0.760 nan 8.310 nan 0.000 0.514 725 G N 0.041 108.861 108.800 0.033 0.000 2.846 725 G HA2 0.594 4.553 3.960 -0.001 0.000 0.299 725 G HA3 0.594 4.553 3.960 -0.001 0.000 0.299 725 G C 0.579 175.497 174.900 0.030 0.000 1.242 725 G CA -0.133 44.992 45.100 0.042 0.000 0.800 725 G HN 0.706 nan 8.290 nan 0.000 0.538 726 A N -1.247 121.576 122.820 0.005 0.000 1.978 726 A HA 0.052 4.372 4.320 -0.001 0.000 0.220 726 A C 1.930 179.410 177.584 -0.174 0.000 1.170 726 A CA 2.096 54.069 52.037 -0.107 0.000 0.636 726 A CB -0.646 18.221 19.000 -0.221 0.000 0.810 726 A HN 0.594 nan 8.150 nan 0.000 0.448 727 Y N -0.872 119.374 120.300 -0.091 0.000 2.301 727 Y HA 0.348 4.898 4.550 -0.001 0.000 0.295 727 Y C 0.883 176.687 175.900 -0.160 0.000 1.126 727 Y CA 0.045 58.025 58.100 -0.200 0.000 1.154 727 Y CB -0.161 37.849 38.460 -0.749 0.000 1.075 727 Y HN 0.022 nan 8.280 nan 0.000 0.534 728 L N 0.499 121.695 121.223 -0.046 0.000 2.307 728 L HA 0.227 4.566 4.340 -0.001 0.000 0.282 728 L C -1.154 175.766 176.870 0.084 0.000 1.051 728 L CA -0.609 54.201 54.840 -0.050 0.000 0.804 728 L CB 1.026 43.001 42.059 -0.140 0.000 1.197 728 L HN 0.020 nan 8.230 nan 0.000 0.431 729 F N 4.960 124.853 119.950 -0.096 0.000 2.332 729 F HA 0.478 5.004 4.527 -0.001 0.000 0.368 729 F C -0.706 175.013 175.800 -0.135 0.000 1.110 729 F CA -1.142 56.762 58.000 -0.161 0.000 1.087 729 F CB 0.620 39.458 39.000 -0.271 0.000 1.235 729 F HN 0.216 nan 8.300 nan 0.000 0.470 730 L N 9.115 130.233 121.223 -0.175 0.000 2.556 730 L HA 0.334 4.674 4.340 -0.001 0.000 0.243 730 L C -2.339 174.352 176.870 -0.299 0.000 1.331 730 L CA -1.727 52.956 54.840 -0.262 0.000 0.927 730 L CB 0.968 42.956 42.059 -0.117 0.000 1.219 730 L HN 0.388 nan 8.230 nan 0.000 0.490 731 P HA 0.043 nan 4.420 nan 0.000 0.272 731 P C -0.493 176.729 177.300 -0.130 0.000 1.223 731 P CA -0.312 62.602 63.100 -0.309 0.000 0.784 731 P CB 0.585 31.979 31.700 -0.510 0.000 0.923 732 N N 1.073 119.769 118.700 -0.007 0.000 3.259 732 N HA 0.263 5.003 4.740 -0.001 0.000 0.308 732 N C 0.683 176.213 175.510 0.033 0.000 1.334 732 N CA -0.123 52.930 53.050 0.005 0.000 1.202 732 N CB -0.910 37.591 38.487 0.024 0.000 1.485 732 N HN 0.746 nan 8.380 nan 0.000 0.549 733 G N 0.868 109.681 108.800 0.022 0.000 2.710 733 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.668 733 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.668 733 G C -3.014 171.958 174.900 0.120 0.000 1.320 733 G CA -1.082 44.045 45.100 0.045 0.000 0.860 733 G HN 0.388 nan 8.290 nan 0.000 0.538 734 P HA 0.452 nan 4.420 nan 0.000 0.269 734 P C 0.540 177.801 177.300 -0.064 0.000 1.217 734 P CA 0.650 63.810 63.100 0.099 0.000 0.783 734 P CB 0.333 32.060 31.700 0.046 0.000 0.898 735 A N 2.089 124.685 122.820 -0.373 0.000 2.425 735 A HA 0.356 4.676 4.320 -0.001 0.000 0.242 735 A C 0.235 177.670 177.584 -0.248 0.000 1.077 735 A CA 0.312 51.978 52.037 -0.618 0.000 0.781 735 A CB -0.290 18.086 19.000 -1.040 0.000 1.020 735 A HN 0.474 nan 8.150 nan 0.000 0.494 736 S N 2.523 118.117 115.700 -0.176 0.000 2.509 736 S HA 0.575 5.045 4.470 -0.001 0.000 0.297 736 S C -2.665 171.900 174.600 -0.058 0.000 1.118 736 S CA -0.996 57.157 58.200 -0.080 0.000 1.074 736 S CB 1.279 64.456 63.200 -0.040 0.000 1.038 736 S HN 0.571 nan 8.310 nan 0.000 0.498 737 P HA 0.084 nan 4.420 nan 0.000 0.266 737 P C -0.707 176.602 177.300 0.016 0.000 1.195 737 P CA -0.299 62.801 63.100 0.001 0.000 0.768 737 P CB 0.279 31.990 31.700 0.018 0.000 0.838 738 V N 3.732 123.668 119.914 0.037 0.000 2.585 738 V HA -0.031 4.089 4.120 -0.001 0.000 0.296 738 V C 1.021 177.134 176.094 0.032 0.000 1.035 738 V CA 0.280 62.600 62.300 0.035 0.000 1.084 738 V CB -0.293 31.557 31.823 0.045 0.000 0.953 738 V HN 0.515 nan 8.190 nan 0.000 0.483 739 E N 4.301 124.514 120.200 0.022 0.000 2.217 739 E HA 0.138 4.488 4.350 -0.001 0.000 0.279 739 E C 0.468 177.080 176.600 0.021 0.000 1.068 739 E CA -0.150 56.265 56.400 0.024 0.000 0.882 739 E CB 0.775 30.487 29.700 0.021 0.000 1.039 739 E HN 0.562 nan 8.360 nan 0.000 0.418 740 L N 2.795 124.036 121.223 0.030 0.000 2.477 740 L HA 0.117 4.457 4.340 -0.001 0.000 0.220 740 L C 1.407 178.297 176.870 0.032 0.000 1.106 740 L CA 0.387 55.243 54.840 0.026 0.000 0.851 740 L CB -0.575 41.509 42.059 0.041 0.000 0.994 740 L HN 0.840 nan 8.230 nan 0.000 0.462 741 G N 1.021 109.843 108.800 0.036 0.000 2.574 741 G HA2 -0.334 3.625 3.960 -0.001 0.000 0.286 741 G HA3 -0.334 3.625 3.960 -0.001 0.000 0.286 741 G C 0.007 174.935 174.900 0.046 0.000 1.212 741 G CA -0.066 45.058 45.100 0.040 0.000 0.979 741 G HN 0.416 nan 8.290 nan 0.000 0.557 742 Q N 1.593 121.423 119.800 0.051 0.000 2.644 742 Q HA 0.378 4.718 4.340 -0.001 0.000 0.245 742 Q C -2.260 173.780 176.000 0.068 0.000 1.064 742 Q CA -1.474 54.362 55.803 0.056 0.000 0.860 742 Q CB 1.899 30.667 28.738 0.050 0.000 1.145 742 Q HN 0.571 nan 8.270 nan 0.000 0.515 743 P HA 0.111 nan 4.420 nan 0.000 0.274 743 P C -0.224 177.144 177.300 0.113 0.000 1.237 743 P CA -0.364 62.788 63.100 0.086 0.000 0.793 743 P CB 1.092 32.826 31.700 0.057 0.000 0.977 744 V N 2.000 122.016 119.914 0.170 0.000 2.488 744 V HA 0.143 4.263 4.120 -0.001 0.000 0.277 744 V C 0.495 176.740 176.094 0.251 0.000 1.046 744 V CA -0.236 62.187 62.300 0.205 0.000 0.986 744 V CB 1.189 33.170 31.823 0.263 0.000 0.989 744 V HN 0.259 nan 8.190 nan 0.000 0.475 745 V N 6.301 126.308 119.914 0.156 0.000 2.495 745 V HA 0.484 4.604 4.120 -0.001 0.000 0.298 745 V C -0.463 175.655 176.094 0.039 0.000 1.031 745 V CA -0.640 61.729 62.300 0.114 0.000 0.871 745 V CB 1.731 33.583 31.823 0.048 0.000 0.988 745 V HN 0.669 nan 8.190 nan 0.000 0.432 746 L N 6.544 127.784 121.223 0.030 0.000 2.325 746 L HA 0.733 5.073 4.340 -0.001 0.000 0.281 746 L C -0.645 176.118 176.870 -0.178 0.000 1.004 746 L CA -0.031 54.708 54.840 -0.169 0.000 0.823 746 L CB 1.787 43.653 42.059 -0.321 0.000 1.236 746 L HN 0.442 nan 8.230 nan 0.000 0.415 747 V N 4.082 123.881 119.914 -0.191 0.000 2.357 747 V HA 0.540 4.659 4.120 -0.001 0.000 0.284 747 V C 0.007 176.036 176.094 -0.109 0.000 1.018 747 V CA -0.403 61.805 62.300 -0.153 0.000 0.841 747 V CB 1.502 33.251 31.823 -0.124 0.000 0.991 747 V HN 0.840 nan 8.190 nan 0.000 0.437 748 T N 5.343 119.860 114.554 -0.062 0.000 2.779 748 T HA 0.437 4.787 4.350 -0.001 0.000 0.280 748 T C -0.368 174.360 174.700 0.047 0.000 0.987 748 T CA -0.555 61.563 62.100 0.030 0.000 0.966 748 T CB 1.145 70.069 68.868 0.094 0.000 0.933 748 T HN 0.645 nan 8.240 nan 0.000 0.442 749 K N 2.381 122.825 120.400 0.074 0.000 2.450 749 K HA 0.670 4.990 4.320 -0.001 0.000 0.257 749 K C -0.362 176.296 176.600 0.097 0.000 0.953 749 K CA -0.574 55.757 56.287 0.072 0.000 0.844 749 K CB 0.978 33.514 32.500 0.060 0.000 1.103 749 K HN 0.796 nan 8.250 nan 0.000 0.429 750 G N 2.185 111.039 108.800 0.090 0.000 2.605 750 G HA2 0.174 4.134 3.960 -0.001 0.000 0.296 750 G HA3 0.174 4.134 3.960 -0.001 0.000 0.296 750 G C -0.209 174.734 174.900 0.073 0.000 1.304 750 G CA -0.611 44.543 45.100 0.091 0.000 0.941 750 G HN 0.650 nan 8.290 nan 0.000 0.475 751 K N -0.242 120.197 120.400 0.065 0.000 2.097 751 K HA 0.105 4.424 4.320 -0.001 0.000 0.205 751 K C 1.748 178.383 176.600 0.058 0.000 1.050 751 K CA 1.053 57.374 56.287 0.057 0.000 0.938 751 K CB -0.136 32.394 32.500 0.050 0.000 0.718 751 K HN 0.441 nan 8.250 nan 0.000 0.442 752 L N -0.768 120.491 121.223 0.060 0.000 2.357 752 L HA 0.197 4.537 4.340 -0.001 0.000 0.211 752 L C 0.578 177.482 176.870 0.057 0.000 1.075 752 L CA 0.104 54.979 54.840 0.059 0.000 0.830 752 L CB 0.373 42.470 42.059 0.062 0.000 0.996 752 L HN 0.146 nan 8.230 nan 0.000 0.467 753 E N -0.262 119.976 120.200 0.064 0.000 2.304 753 E HA 0.399 4.749 4.350 -0.001 0.000 0.277 753 E C -1.467 175.177 176.600 0.074 0.000 0.898 753 E CA -0.216 56.223 56.400 0.065 0.000 0.764 753 E CB 2.125 31.862 29.700 0.062 0.000 1.216 753 E HN -0.119 nan 8.360 nan 0.000 0.419 754 S N 1.272 117.013 115.700 0.069 0.000 2.634 754 S HA 0.792 5.262 4.470 -0.001 0.000 0.296 754 S C -1.265 173.361 174.600 0.043 0.000 1.104 754 S CA -0.673 57.564 58.200 0.061 0.000 0.920 754 S CB 1.787 65.025 63.200 0.062 0.000 1.111 754 S HN 0.619 nan 8.310 nan 0.000 0.493 755 S N -0.093 115.610 115.700 0.004 0.000 2.565 755 S HA 0.722 5.191 4.470 -0.001 0.000 0.269 755 S C -1.795 172.717 174.600 -0.146 0.000 1.153 755 S CA -0.708 57.469 58.200 -0.039 0.000 0.835 755 S CB 1.018 64.217 63.200 -0.002 0.000 1.122 755 S HN 0.461 nan 8.310 nan 0.000 0.462 756 V N 2.044 121.810 119.914 -0.247 0.000 2.444 756 V HA 0.743 4.862 4.120 -0.001 0.000 0.294 756 V C -0.439 175.525 176.094 -0.216 0.000 1.022 756 V CA -0.415 61.672 62.300 -0.356 0.000 0.850 756 V CB 1.567 32.870 31.823 -0.866 0.000 0.992 756 V HN 0.980 nan 8.190 nan 0.000 0.426 757 S N 3.175 118.804 115.700 -0.118 0.000 2.521 757 S HA 0.784 5.254 4.470 -0.001 0.000 0.295 757 S C -0.855 173.693 174.600 -0.088 0.000 1.098 757 S CA -0.616 57.526 58.200 -0.098 0.000 0.999 757 S CB 2.152 65.393 63.200 0.068 0.000 1.034 757 S HN 0.652 nan 8.310 nan 0.000 0.483 758 V N 2.102 121.847 119.914 -0.282 0.000 2.760 758 V HA 0.807 4.926 4.120 -0.001 0.000 0.309 758 V C -0.032 175.722 176.094 -0.566 0.000 1.077 758 V CA -0.429 61.720 62.300 -0.252 0.000 0.910 758 V CB 1.794 33.596 31.823 -0.036 0.000 1.008 758 V HN 0.994 nan 8.190 nan 0.000 0.424 759 G N 7.029 115.526 108.800 -0.505 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 -0.551 174.248 174.900 -0.169 0.000 0.984 759 G CA -0.319 44.536 45.100 -0.409 0.000 1.183 759 G HN 0.693 nan 8.290 nan 0.000 0.443 760 L N 2.744 123.822 121.223 -0.242 0.000 2.387 760 L HA 0.404 4.744 4.340 -0.001 0.000 0.266 760 L C -2.013 174.749 176.870 -0.180 0.000 1.059 760 L CA -2.368 52.352 54.840 -0.199 0.000 0.801 760 L CB 1.835 43.702 42.059 -0.320 0.000 1.223 760 L HN 0.208 nan 8.230 nan 0.000 0.456 761 P HA 0.065 nan 4.420 nan 0.000 0.262 761 P C 0.072 177.276 177.300 -0.161 0.000 1.199 761 P CA 0.411 63.441 63.100 -0.116 0.000 0.763 761 P CB 0.894 32.551 31.700 -0.072 0.000 0.790 762 S N -0.238 115.372 115.700 -0.150 0.000 2.769 762 S HA -0.116 4.354 4.470 -0.001 0.000 0.264 762 S C 0.215 174.702 174.600 -0.188 0.000 1.288 762 S CA 1.267 59.381 58.200 -0.142 0.000 1.378 762 S CB -1.577 61.564 63.200 -0.099 0.000 1.702 762 S HN 0.409 nan 8.310 nan 0.000 0.656 763 V N 1.276 121.023 119.914 -0.278 0.000 2.655 763 V HA 0.444 4.563 4.120 -0.001 0.000 0.301 763 V C -0.252 175.618 176.094 -0.374 0.000 1.082 763 V CA -0.825 61.267 62.300 -0.346 0.000 0.899 763 V CB 2.106 33.561 31.823 -0.614 0.000 1.014 763 V HN 0.112 nan 8.190 nan 0.000 0.429 764 V N 4.026 123.731 119.914 -0.348 0.000 2.368 764 V HA 0.327 4.447 4.120 -0.001 0.000 0.266 764 V C -0.142 175.747 176.094 -0.341 0.000 1.045 764 V CA -0.332 61.665 62.300 -0.505 0.000 0.899 764 V CB 0.714 32.116 31.823 -0.702 0.000 1.006 764 V HN 0.937 nan 8.190 nan 0.000 0.470 765 H N 4.437 123.257 119.070 -0.416 0.000 2.488 765 H HA 0.588 5.144 4.556 -0.001 0.000 0.322 765 H C -0.416 174.799 175.328 -0.188 0.000 1.078 765 H CA -0.196 55.710 56.048 -0.237 0.000 1.260 765 H CB 1.198 30.855 29.762 -0.174 0.000 1.425 765 H HN 0.691 nan 8.280 nan 0.000 0.471 766 Q N 3.981 123.480 119.800 -0.503 0.000 2.323 766 Q HA 0.381 4.720 4.340 -0.001 0.000 0.271 766 Q C -1.336 174.460 176.000 -0.340 0.000 1.048 766 Q CA -0.920 54.673 55.803 -0.349 0.000 0.792 766 Q CB 1.635 30.273 28.738 -0.168 0.000 1.280 766 Q HN 0.760 nan 8.270 nan 0.000 0.441 767 T N 4.892 119.329 114.554 -0.194 0.000 2.770 767 T HA 0.538 4.888 4.350 -0.001 0.000 0.283 767 T C -0.340 174.386 174.700 0.044 0.000 0.988 767 T CA -0.326 61.778 62.100 0.006 0.000 0.957 767 T CB 0.303 69.338 68.868 0.277 0.000 0.930 767 T HN 0.454 nan 8.240 nan 0.000 0.443 768 I N 3.654 124.263 120.570 0.065 0.000 2.433 768 I HA 0.499 4.668 4.170 -0.001 0.000 0.292 768 I C -0.209 175.960 176.117 0.088 0.000 1.001 768 I CA -0.813 60.525 61.300 0.062 0.000 1.119 768 I CB 1.769 39.796 38.000 0.044 0.000 1.289 768 I HN 0.380 nan 8.210 nan 0.000 0.438 769 M N 5.877 125.529 119.600 0.086 0.000 2.253 769 M HA 0.489 4.968 4.480 -0.001 0.000 0.314 769 M C 0.105 176.447 176.300 0.069 0.000 1.019 769 M CA -0.386 54.968 55.300 0.090 0.000 0.932 769 M CB 2.227 34.896 32.600 0.115 0.000 1.606 769 M HN 0.512 nan 8.290 nan 0.000 0.430 770 R N 1.029 121.564 120.500 0.058 0.000 2.572 770 R HA 0.351 4.690 4.340 -0.001 0.000 0.370 770 R C 0.819 177.146 176.300 0.045 0.000 1.005 770 R CA 0.251 56.379 56.100 0.047 0.000 1.146 770 R CB 1.132 31.453 30.300 0.034 0.000 1.390 770 R HN 1.147 nan 8.270 nan 0.000 0.553 771 G N -0.269 108.560 108.800 0.048 0.000 2.211 771 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.201 771 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.201 771 G C 0.285 175.206 174.900 0.035 0.000 0.997 771 G CA -0.382 44.743 45.100 0.042 0.000 0.652 771 G HN 0.520 nan 8.290 nan 0.000 0.500 772 G N -0.103 108.718 108.800 0.035 0.000 3.252 772 G HA2 0.801 4.761 3.960 -0.001 0.000 0.181 772 G HA3 0.801 4.761 3.960 -0.001 0.000 0.181 772 G C 0.485 175.406 174.900 0.034 0.000 1.187 772 G CA 0.410 45.527 45.100 0.028 0.000 0.886 772 G HN 1.538 nan 8.290 nan 0.000 0.615 773 A N 1.387 124.224 122.820 0.029 0.000 2.565 773 A HA 0.497 4.816 4.320 -0.001 0.000 0.237 773 A C -1.701 175.919 177.584 0.060 0.000 1.053 773 A CA -0.386 51.674 52.037 0.038 0.000 0.755 773 A CB -0.478 18.541 19.000 0.031 0.000 0.980 773 A HN 0.399 nan 8.150 nan 0.000 0.506 774 P HA 0.128 nan 4.420 nan 0.000 0.272 774 P C -0.451 176.917 177.300 0.114 0.000 1.230 774 P CA -0.206 62.958 63.100 0.107 0.000 0.788 774 P CB 0.656 32.443 31.700 0.145 0.000 0.949 775 E N 1.375 121.638 120.200 0.106 0.000 2.191 775 E HA 0.359 4.709 4.350 -0.001 0.000 0.278 775 E C -0.730 175.943 176.600 0.121 0.000 0.972 775 E CA -0.705 55.761 56.400 0.109 0.000 0.804 775 E CB 0.551 30.292 29.700 0.068 0.000 1.110 775 E HN 0.223 nan 8.360 nan 0.000 0.394 776 I N 4.196 124.870 120.570 0.174 0.000 2.404 776 I HA 0.408 4.578 4.170 -0.001 0.000 0.293 776 I C 0.018 176.252 176.117 0.195 0.000 0.992 776 I CA -0.599 60.784 61.300 0.139 0.000 1.149 776 I CB 1.254 39.345 38.000 0.151 0.000 1.315 776 I HN 0.548 nan 8.210 nan 0.000 0.446 777 R N 4.603 125.147 120.500 0.074 0.000 2.561 777 R HA 0.499 4.839 4.340 -0.001 0.000 0.297 777 R C -0.958 175.390 176.300 0.080 0.000 0.969 777 R CA -0.851 55.306 56.100 0.096 0.000 0.879 777 R CB 2.053 32.368 30.300 0.025 0.000 1.178 777 R HN 0.462 nan 8.270 nan 0.000 0.445 778 N N 2.593 121.399 118.700 0.177 0.000 2.443 778 N HA 0.198 4.937 4.740 -0.001 0.000 0.269 778 N C -1.290 174.234 175.510 0.023 0.000 0.985 778 N CA -0.702 52.429 53.050 0.134 0.000 0.921 778 N CB 1.876 40.547 38.487 0.307 0.000 1.195 778 N HN 0.326 nan 8.380 nan 0.000 0.492 779 L N 3.697 124.876 121.223 -0.073 0.000 2.282 779 L HA 0.373 4.713 4.340 -0.001 0.000 0.287 779 L C -1.001 175.801 176.870 -0.114 0.000 1.075 779 L CA -0.437 54.341 54.840 -0.104 0.000 0.839 779 L CB 0.439 42.425 42.059 -0.121 0.000 1.219 779 L HN 0.215 nan 8.230 nan 0.000 0.434 780 V N 4.608 124.459 119.914 -0.104 0.000 2.350 780 V HA 0.384 4.503 4.120 -0.001 0.000 0.276 780 V C -0.483 175.572 176.094 -0.065 0.000 1.028 780 V CA -0.505 61.749 62.300 -0.076 0.000 0.860 780 V CB 1.285 33.093 31.823 -0.024 0.000 0.990 780 V HN 0.684 nan 8.190 nan 0.000 0.453 781 D N 4.006 124.366 120.400 -0.066 0.000 2.375 781 D HA 0.266 4.906 4.640 -0.001 0.000 0.259 781 D C 0.535 176.808 176.300 -0.045 0.000 1.235 781 D CA -0.410 53.560 54.000 -0.050 0.000 0.924 781 D CB 1.374 42.139 40.800 -0.059 0.000 1.143 781 D HN 0.464 nan 8.370 nan 0.000 0.529 782 I N 2.375 122.936 120.570 -0.016 0.000 2.916 782 I HA 0.062 4.232 4.170 -0.001 0.000 0.267 782 I C 1.373 177.481 176.117 -0.015 0.000 1.263 782 I CA 1.144 62.440 61.300 -0.006 0.000 1.471 782 I CB -0.228 37.788 38.000 0.027 0.000 1.089 782 I HN 0.622 nan 8.210 nan 0.000 0.468 783 G N 0.792 109.579 108.800 -0.022 0.000 2.583 783 G HA2 -0.426 3.533 3.960 -0.001 0.000 0.292 783 G HA3 -0.426 3.533 3.960 -0.001 0.000 0.292 783 G C 0.569 175.463 174.900 -0.010 0.000 1.203 783 G CA 0.462 45.546 45.100 -0.027 0.000 0.987 783 G HN 0.686 nan 8.290 nan 0.000 0.554 784 S N -0.063 115.630 115.700 -0.012 0.000 2.583 784 S HA 0.531 5.001 4.470 -0.001 0.000 0.239 784 S C 0.832 175.436 174.600 0.006 0.000 0.966 784 S CA 0.061 58.262 58.200 0.001 0.000 0.973 784 S CB 0.070 63.271 63.200 0.001 0.000 0.794 784 S HN 0.686 nan 8.310 nan 0.000 0.463 785 L N 3.010 124.237 121.223 0.006 0.000 2.451 785 L HA 0.259 4.598 4.340 -0.001 0.000 0.272 785 L C -0.333 176.554 176.870 0.028 0.000 1.258 785 L CA -0.309 54.540 54.840 0.015 0.000 1.132 785 L CB -0.693 41.374 42.059 0.013 0.000 1.361 785 L HN 0.142 nan 8.230 nan 0.000 0.438 786 D N 2.729 123.145 120.400 0.028 0.000 2.423 786 D HA -0.004 4.636 4.640 -0.001 0.000 0.238 786 D C 0.717 177.043 176.300 0.042 0.000 1.142 786 D CA 0.291 54.312 54.000 0.034 0.000 0.884 786 D CB 0.345 41.163 40.800 0.029 0.000 1.199 786 D HN 0.317 nan 8.370 nan 0.000 0.438 787 N N 0.463 119.192 118.700 0.049 0.000 2.725 787 N HA -0.173 4.566 4.740 -0.001 0.000 0.251 787 N C -0.938 174.617 175.510 0.075 0.000 1.031 787 N CA 0.851 53.936 53.050 0.059 0.000 0.720 787 N CB -1.273 37.244 38.487 0.050 0.000 0.930 787 N HN 0.292 nan 8.380 nan 0.000 0.543 788 T N 0.422 115.024 114.554 0.080 0.000 2.886 788 T HA 0.415 4.764 4.350 -0.001 0.000 0.292 788 T C -0.254 174.513 174.700 0.111 0.000 1.012 788 T CA -0.733 61.425 62.100 0.097 0.000 0.982 788 T CB 2.330 71.241 68.868 0.071 0.000 1.018 788 T HN 0.027 nan 8.240 nan 0.000 0.451 789 E N 2.515 122.810 120.200 0.159 0.000 2.191 789 E HA 0.450 4.800 4.350 -0.001 0.000 0.263 789 E C -0.745 175.973 176.600 0.197 0.000 0.881 789 E CA -0.636 55.857 56.400 0.156 0.000 0.757 789 E CB 2.235 32.007 29.700 0.119 0.000 1.147 789 E HN 0.493 nan 8.360 nan 0.000 0.414 790 I N 2.860 123.528 120.570 0.163 0.000 2.315 790 I HA 0.229 4.399 4.170 -0.001 0.000 0.291 790 I C -0.233 176.016 176.117 0.221 0.000 1.006 790 I CA -0.810 60.599 61.300 0.181 0.000 1.265 790 I CB 1.406 39.501 38.000 0.157 0.000 1.387 790 I HN 0.205 nan 8.210 nan 0.000 0.475 791 V N 8.064 128.110 119.914 0.219 0.000 2.628 791 V HA 0.494 4.614 4.120 -0.001 0.000 0.306 791 V C -0.419 175.707 176.094 0.054 0.000 1.045 791 V CA -0.723 61.690 62.300 0.189 0.000 0.905 791 V CB 2.021 34.012 31.823 0.279 0.000 0.997 791 V HN 0.750 nan 8.190 nan 0.000 0.436 792 M N 7.213 126.768 119.600 -0.075 0.000 2.129 792 M HA 0.559 5.039 4.480 -0.001 0.000 0.348 792 M C -0.538 175.614 176.300 -0.247 0.000 1.116 792 M CA -0.422 54.610 55.300 -0.446 0.000 1.022 792 M CB 0.586 32.883 32.600 -0.504 0.000 1.599 792 M HN 0.749 nan 8.290 nan 0.000 0.449 793 R N 4.608 124.950 120.500 -0.264 0.000 2.637 793 R HA 0.704 5.044 4.340 -0.001 0.000 0.291 793 R C -1.940 174.262 176.300 -0.163 0.000 0.963 793 R CA -0.629 55.380 56.100 -0.153 0.000 0.901 793 R CB 1.491 31.718 30.300 -0.121 0.000 1.160 793 R HN 0.802 nan 8.270 nan 0.000 0.457 794 L N 3.253 124.363 121.223 -0.188 0.000 2.313 794 L HA 0.419 4.758 4.340 -0.001 0.000 0.283 794 L C -0.549 176.208 176.870 -0.188 0.000 1.013 794 L CA -0.407 54.253 54.840 -0.301 0.000 0.816 794 L CB 1.942 43.780 42.059 -0.369 0.000 1.236 794 L HN 0.612 nan 8.230 nan 0.000 0.419 795 E N 2.185 122.290 120.200 -0.159 0.000 2.145 795 E HA 0.495 4.845 4.350 -0.001 0.000 0.270 795 E C -0.577 175.973 176.600 -0.083 0.000 0.906 795 E CA -0.483 55.875 56.400 -0.070 0.000 0.761 795 E CB 2.099 31.802 29.700 0.005 0.000 1.116 795 E HN 0.609 nan 8.360 nan 0.000 0.408 796 T N -0.947 113.571 114.554 -0.060 0.000 2.831 796 T HA 0.281 4.630 4.350 -0.001 0.000 0.287 796 T C 0.332 175.066 174.700 0.056 0.000 1.070 796 T CA -0.666 61.389 62.100 -0.074 0.000 1.010 796 T CB 1.158 69.988 68.868 -0.064 0.000 1.264 796 T HN 0.382 nan 8.240 nan 0.000 0.532 797 H N -0.280 118.779 119.070 -0.018 0.000 2.551 797 H HA 0.443 4.998 4.556 -0.001 0.000 0.266 797 H C 0.586 175.912 175.328 -0.002 0.000 0.964 797 H CA -0.739 55.304 56.048 -0.009 0.000 1.180 797 H CB -0.356 29.401 29.762 -0.009 0.000 1.408 797 H HN 0.469 nan 8.280 nan 0.000 0.563 798 I N 1.798 122.438 120.570 0.118 0.000 2.752 798 I HA -0.149 4.020 4.170 -0.001 0.000 0.289 798 I C 0.696 176.854 176.117 0.068 0.000 1.197 798 I CA 0.428 61.774 61.300 0.077 0.000 1.432 798 I CB 0.331 38.366 38.000 0.058 0.000 1.359 798 I HN 0.015 nan 8.210 nan 0.000 0.571 799 D N 4.860 125.294 120.400 0.057 0.000 2.713 799 D HA 0.034 4.674 4.640 -0.001 0.000 0.229 799 D C 1.235 177.571 176.300 0.061 0.000 1.136 799 D CA -0.034 53.994 54.000 0.048 0.000 1.010 799 D CB 0.329 41.149 40.800 0.033 0.000 1.084 799 D HN 0.553 nan 8.370 nan 0.000 0.495 800 S N 0.279 116.023 115.700 0.072 0.000 2.496 800 S HA 0.229 4.699 4.470 -0.001 0.000 0.224 800 S C 1.622 176.272 174.600 0.084 0.000 0.996 800 S CA 0.321 58.578 58.200 0.095 0.000 0.927 800 S CB -0.170 63.098 63.200 0.114 0.000 0.774 800 S HN 0.523 nan 8.310 nan 0.000 0.524 801 G N 3.217 112.055 108.800 0.063 0.000 2.574 801 G HA2 -0.403 3.557 3.960 -0.001 0.000 0.301 801 G HA3 -0.403 3.557 3.960 -0.001 0.000 0.301 801 G C 0.194 175.134 174.900 0.067 0.000 1.166 801 G CA 0.640 45.773 45.100 0.056 0.000 0.971 801 G HN 0.775 nan 8.290 nan 0.000 0.542 802 D N 0.184 120.628 120.400 0.073 0.000 2.440 802 D HA 0.341 4.980 4.640 -0.001 0.000 0.216 802 D C 0.712 177.092 176.300 0.133 0.000 1.150 802 D CA -0.201 53.859 54.000 0.100 0.000 0.832 802 D CB 0.258 41.103 40.800 0.074 0.000 0.992 802 D HN 0.456 nan 8.370 nan 0.000 0.502 803 I N 1.494 122.129 120.570 0.108 0.000 2.412 803 I HA 0.493 4.663 4.170 -0.001 0.000 0.296 803 I C -0.267 175.937 176.117 0.145 0.000 0.987 803 I CA -1.039 60.273 61.300 0.019 0.000 1.180 803 I CB 0.691 38.670 38.000 -0.035 0.000 1.340 803 I HN -0.033 nan 8.210 nan 0.000 0.455 804 F N 4.521 124.297 119.950 -0.289 0.000 2.711 804 F HA 0.696 5.223 4.527 -0.001 0.000 0.313 804 F C -2.062 173.393 175.800 -0.575 0.000 1.141 804 F CA -1.405 56.443 58.000 -0.252 0.000 0.941 804 F CB 1.222 40.145 39.000 -0.129 0.000 1.349 804 F HN 0.186 nan 8.300 nan 0.000 0.464 805 Y N 0.066 120.141 120.300 -0.375 0.000 2.425 805 Y HA 0.681 5.231 4.550 -0.001 0.000 0.344 805 Y C 0.037 175.758 175.900 -0.298 0.000 0.969 805 Y CA -0.710 57.035 58.100 -0.592 0.000 1.052 805 Y CB 2.411 40.119 38.460 -1.253 0.000 1.215 805 Y HN 0.899 nan 8.280 nan 0.000 0.451 806 T N -1.367 113.108 114.554 -0.132 0.000 2.906 806 T HA 0.485 4.835 4.350 -0.001 0.000 0.295 806 T C -1.066 173.447 174.700 -0.311 0.000 1.075 806 T CA -1.066 60.972 62.100 -0.103 0.000 1.005 806 T CB 2.040 70.825 68.868 -0.137 0.000 1.136 806 T HN 0.585 nan 8.240 nan 0.000 0.498 807 D N 1.090 121.159 120.400 -0.551 0.000 2.340 807 D HA 0.363 5.003 4.640 -0.001 0.000 0.251 807 D C -0.610 175.425 176.300 -0.441 0.000 1.080 807 D CA -0.809 52.687 54.000 -0.839 0.000 0.971 807 D CB 1.262 41.313 40.800 -1.247 0.000 1.137 807 D HN 0.559 nan 8.370 nan 0.000 0.475 808 L N 1.016 122.023 121.223 -0.360 0.000 2.316 808 L HA 0.214 4.554 4.340 -0.001 0.000 0.280 808 L C -0.127 176.621 176.870 -0.204 0.000 1.006 808 L CA -0.778 53.939 54.840 -0.205 0.000 0.836 808 L CB 0.433 42.434 42.059 -0.097 0.000 1.221 808 L HN 0.460 nan 8.230 nan 0.000 0.418 809 N N 2.058 120.645 118.700 -0.188 0.000 2.714 809 N HA -0.229 4.511 4.740 -0.001 0.000 0.250 809 N C 0.971 176.277 175.510 -0.340 0.000 1.117 809 N CA 0.904 53.843 53.050 -0.185 0.000 0.719 809 N CB -1.116 37.336 38.487 -0.058 0.000 1.081 809 N HN 1.070 nan 8.380 nan 0.000 0.557 810 G N -1.591 107.011 108.800 -0.331 0.000 2.166 810 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.260 810 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.260 810 G C 0.617 175.486 174.900 -0.052 0.000 0.986 810 G CA 0.693 45.624 45.100 -0.282 0.000 0.683 810 G HN 0.493 nan 8.290 nan 0.000 0.527 811 L N -0.444 120.689 121.223 -0.150 0.000 2.467 811 L HA 0.498 4.838 4.340 -0.001 0.000 0.213 811 L C 0.973 177.727 176.870 -0.192 0.000 1.053 811 L CA 1.940 56.607 54.840 -0.288 0.000 0.847 811 L CB 0.164 41.891 42.059 -0.554 0.000 1.075 811 L HN 0.702 nan 8.230 nan 0.000 0.479 812 Q N -1.705 117.989 119.800 -0.178 0.000 2.435 812 Q HA 0.352 4.691 4.340 -0.001 0.000 0.282 812 Q C -1.699 174.196 176.000 -0.175 0.000 1.020 812 Q CA -0.728 55.035 55.803 -0.068 0.000 0.820 812 Q CB 1.079 29.833 28.738 0.027 0.000 1.436 812 Q HN -0.041 nan 8.270 nan 0.000 0.395 813 F N 1.441 121.347 119.950 -0.074 0.000 2.436 813 F HA 0.588 5.114 4.527 -0.001 0.000 0.340 813 F C -0.135 175.626 175.800 -0.065 0.000 1.113 813 F CA -0.826 57.140 58.000 -0.057 0.000 1.022 813 F CB 1.594 40.603 39.000 0.015 0.000 1.128 813 F HN 0.535 nan 8.300 nan 0.000 0.466 814 I N 3.868 124.440 120.570 0.005 0.000 2.474 814 I HA 0.327 4.496 4.170 -0.001 0.000 0.294 814 I C -0.439 175.541 176.117 -0.229 0.000 1.005 814 I CA -0.876 60.377 61.300 -0.080 0.000 1.113 814 I CB 1.242 39.148 38.000 -0.157 0.000 1.289 814 I HN 0.502 nan 8.210 nan 0.000 0.436 815 K N 6.804 127.028 120.400 -0.293 0.000 2.412 815 K HA 0.248 4.568 4.320 -0.001 0.000 0.281 815 K C -0.835 175.322 176.600 -0.738 0.000 1.027 815 K CA -0.340 55.505 56.287 -0.735 0.000 0.989 815 K CB 0.508 32.704 32.500 -0.507 0.000 0.935 815 K HN 0.507 nan 8.250 nan 0.000 0.475 816 R N 3.296 123.179 120.500 -1.028 0.000 2.664 816 R HA 0.345 4.685 4.340 -0.001 0.000 0.286 816 R C -0.485 175.335 176.300 -0.800 0.000 0.967 816 R CA -0.784 54.652 56.100 -1.106 0.000 0.933 816 R CB 1.536 30.659 30.300 -1.962 0.000 1.146 816 R HN 0.660 nan 8.270 nan 0.000 0.468 817 R N 1.575 121.817 120.500 -0.431 0.000 2.439 817 R HA 0.297 4.637 4.340 -0.001 0.000 0.310 817 R C -0.457 175.885 176.300 0.069 0.000 0.955 817 R CA -0.691 55.325 56.100 -0.141 0.000 0.853 817 R CB 1.491 31.747 30.300 -0.073 0.000 1.171 817 R HN 0.543 nan 8.270 nan 0.000 0.449 818 R N 4.203 124.844 120.500 0.235 0.000 2.585 818 R HA 0.096 4.436 4.340 -0.001 0.000 0.275 818 R C -0.859 175.523 176.300 0.137 0.000 1.018 818 R CA 0.364 56.629 56.100 0.276 0.000 1.072 818 R CB 0.414 30.858 30.300 0.240 0.000 0.953 818 R HN 0.525 nan 8.270 nan 0.000 0.419 819 L N 4.680 125.964 121.223 0.100 0.000 2.377 819 L HA 0.223 4.563 4.340 -0.001 0.000 0.270 819 L C 0.009 176.872 176.870 -0.012 0.000 0.991 819 L CA -0.694 54.162 54.840 0.026 0.000 0.851 819 L CB 1.978 44.023 42.059 -0.024 0.000 1.218 819 L HN 0.676 nan 8.230 nan 0.000 0.420 820 D N 1.596 121.996 120.400 0.001 0.000 2.348 820 D HA -0.124 4.515 4.640 -0.001 0.000 0.216 820 D C 1.754 178.037 176.300 -0.028 0.000 0.970 820 D CA 0.822 54.818 54.000 -0.008 0.000 0.889 820 D CB 0.350 41.154 40.800 0.008 0.000 0.912 820 D HN 0.562 nan 8.370 nan 0.000 0.524 821 K N 0.266 120.641 120.400 -0.042 0.000 2.439 821 K HA -0.011 4.309 4.320 -0.001 0.000 0.197 821 K C 0.685 177.223 176.600 -0.103 0.000 1.041 821 K CA 0.403 56.660 56.287 -0.050 0.000 0.970 821 K CB 0.280 32.764 32.500 -0.027 0.000 0.773 821 K HN 0.113 nan 8.250 nan 0.000 0.479 822 L N 2.254 123.378 121.223 -0.164 0.000 2.330 822 L HA 0.458 4.798 4.340 -0.001 0.000 0.271 822 L C -2.222 174.543 176.870 -0.176 0.000 1.013 822 L CA -2.919 51.783 54.840 -0.230 0.000 0.816 822 L CB 1.410 43.234 42.059 -0.393 0.000 1.287 822 L HN -0.033 nan 8.230 nan 0.000 0.435 823 P HA 0.039 nan 4.420 nan 0.000 0.273 823 P C 0.842 178.020 177.300 -0.203 0.000 1.250 823 P CA -0.413 62.592 63.100 -0.159 0.000 0.793 823 P CB 1.205 32.836 31.700 -0.115 0.000 1.011 824 L N 0.787 121.918 121.223 -0.153 0.000 1.997 824 L HA -0.282 4.057 4.340 -0.001 0.000 0.216 824 L C 2.514 179.300 176.870 -0.140 0.000 1.074 824 L CA 1.973 56.745 54.840 -0.112 0.000 0.763 824 L CB -0.673 41.317 42.059 -0.115 0.000 0.890 824 L HN 0.433 nan 8.230 nan 0.000 0.434 825 Q N -0.251 119.361 119.800 -0.314 0.000 2.291 825 Q HA -0.181 4.159 4.340 -0.001 0.000 0.206 825 Q C 1.873 177.778 176.000 -0.158 0.000 0.976 825 Q CA 1.537 57.191 55.803 -0.248 0.000 0.875 825 Q CB -0.546 27.974 28.738 -0.364 0.000 0.927 825 Q HN 0.617 nan 8.270 nan 0.000 0.450 826 A N 1.490 124.005 122.820 -0.509 0.000 2.066 826 A HA -0.054 4.266 4.320 -0.001 0.000 0.218 826 A C 1.651 179.052 177.584 -0.306 0.000 1.157 826 A CA 0.846 52.426 52.037 -0.763 0.000 0.670 826 A CB -0.201 18.007 19.000 -1.320 0.000 0.804 826 A HN 0.357 nan 8.150 nan 0.000 0.453 827 N N -1.222 117.412 118.700 -0.110 0.000 2.336 827 N HA 0.056 4.796 4.740 -0.001 0.000 0.189 827 N C -0.845 174.759 175.510 0.158 0.000 1.113 827 N CA 0.180 53.279 53.050 0.081 0.000 0.858 827 N CB 0.055 38.637 38.487 0.158 0.000 0.970 827 N HN 0.457 nan 8.380 nan 0.000 0.471 828 Y N 0.313 120.574 120.300 -0.065 0.000 2.319 828 Y HA 0.186 4.736 4.550 -0.001 0.000 0.328 828 Y C -0.150 175.703 175.900 -0.077 0.000 1.133 828 Y CA -0.056 58.086 58.100 0.069 0.000 1.265 828 Y CB 0.355 38.926 38.460 0.184 0.000 1.218 828 Y HN -0.063 nan 8.280 nan 0.000 0.508 829 Y N 3.262 123.699 120.300 0.228 0.000 2.605 829 Y HA 0.458 5.008 4.550 -0.001 0.000 0.343 829 Y C -2.286 173.323 175.900 -0.485 0.000 1.036 829 Y CA -2.938 55.153 58.100 -0.015 0.000 1.065 829 Y CB 1.418 39.860 38.460 -0.031 0.000 1.288 829 Y HN 0.442 nan 8.280 nan 0.000 0.481 830 P HA 0.123 nan 4.420 nan 0.000 0.271 830 P C -0.630 176.431 177.300 -0.397 0.000 1.216 830 P CA 0.240 62.764 63.100 -0.961 0.000 0.776 830 P CB 0.538 31.573 31.700 -1.107 0.000 0.881 831 I N 4.821 125.238 120.570 -0.256 0.000 2.692 831 I HA 0.167 4.337 4.170 -0.001 0.000 0.285 831 I C -1.685 174.360 176.117 -0.121 0.000 1.191 831 I CA -2.423 58.797 61.300 -0.134 0.000 1.128 831 I CB 0.658 38.636 38.000 -0.036 0.000 1.585 831 I HN 0.203 nan 8.210 nan 0.000 0.558 832 P HA -0.070 nan 4.420 nan 0.000 0.221 832 P C 1.071 178.337 177.300 -0.056 0.000 1.150 832 P CA 1.248 64.274 63.100 -0.123 0.000 0.800 832 P CB 0.567 32.166 31.700 -0.168 0.000 0.787 833 S N -3.504 112.165 115.700 -0.051 0.000 2.560 833 S HA 0.467 4.937 4.470 -0.001 0.000 0.281 833 S C 0.564 175.244 174.600 0.133 0.000 1.075 833 S CA 0.335 58.560 58.200 0.043 0.000 1.295 833 S CB 0.327 63.574 63.200 0.078 0.000 1.156 833 S HN 0.334 nan 8.310 nan 0.000 0.627 834 G N 1.522 110.402 108.800 0.134 0.000 2.466 834 G HA2 0.551 4.510 3.960 -0.001 0.000 0.291 834 G HA3 0.551 4.510 3.960 -0.001 0.000 0.291 834 G C -1.509 173.625 174.900 0.391 0.000 1.460 834 G CA -0.425 44.876 45.100 0.335 0.000 0.791 834 G HN 0.899 nan 8.290 nan 0.000 0.505 835 M N -0.647 119.208 119.600 0.426 0.000 2.520 835 M HA 0.883 5.363 4.480 -0.001 0.000 0.280 835 M C -1.751 174.781 176.300 0.387 0.000 1.232 835 M CA -1.019 54.491 55.300 0.350 0.000 0.892 835 M CB 2.515 35.233 32.600 0.197 0.000 1.728 835 M HN 1.173 nan 8.290 nan 0.000 0.475 836 F N 1.001 121.096 119.950 0.241 0.000 2.668 836 F HA 0.907 5.434 4.527 -0.001 0.000 0.309 836 F C -1.695 174.239 175.800 0.223 0.000 1.117 836 F CA -1.188 56.895 58.000 0.140 0.000 0.951 836 F CB 1.154 40.150 39.000 -0.006 0.000 1.323 836 F HN 0.777 nan 8.300 nan 0.000 0.451 837 I N -0.107 120.695 120.570 0.387 0.000 2.740 837 I HA 0.887 5.057 4.170 -0.001 0.000 0.303 837 I C -1.372 174.931 176.117 0.310 0.000 1.044 837 I CA -0.888 60.605 61.300 0.323 0.000 1.064 837 I CB 2.381 40.487 38.000 0.176 0.000 1.249 837 I HN 0.951 nan 8.210 nan 0.000 0.433 838 E N 2.030 122.395 120.200 0.276 0.000 2.412 838 E HA 0.524 4.874 4.350 -0.001 0.000 0.279 838 E C -2.048 174.635 176.600 0.139 0.000 0.984 838 E CA -0.837 55.668 56.400 0.176 0.000 0.788 838 E CB 2.227 32.020 29.700 0.154 0.000 1.277 838 E HN 0.744 nan 8.360 nan 0.000 0.455 839 D N 0.802 121.254 120.400 0.086 0.000 2.723 839 D HA 0.459 5.098 4.640 -0.001 0.000 0.247 839 D C 0.952 177.281 176.300 0.048 0.000 1.134 839 D CA -0.161 53.881 54.000 0.070 0.000 1.099 839 D CB -0.011 40.823 40.800 0.056 0.000 1.287 839 D HN 0.449 nan 8.370 nan 0.000 0.634 840 A N -0.706 122.135 122.820 0.036 0.000 1.978 840 A HA -0.171 4.149 4.320 -0.001 0.000 0.220 840 A C 1.548 179.137 177.584 0.008 0.000 1.170 840 A CA 1.620 53.670 52.037 0.022 0.000 0.636 840 A CB -0.728 18.283 19.000 0.018 0.000 0.810 840 A HN 0.520 nan 8.150 nan 0.000 0.448 841 N N -1.813 116.891 118.700 0.007 0.000 2.397 841 N HA 0.073 4.813 4.740 -0.001 0.000 0.190 841 N C -0.412 175.090 175.510 -0.014 0.000 1.099 841 N CA 0.786 53.833 53.050 -0.005 0.000 0.876 841 N CB 0.603 39.089 38.487 -0.002 0.000 1.143 841 N HN 0.305 nan 8.380 nan 0.000 0.468 842 T N 0.611 115.162 114.554 -0.005 0.000 2.893 842 T HA 0.446 4.795 4.350 -0.001 0.000 0.293 842 T C -0.606 174.088 174.700 -0.009 0.000 1.027 842 T CA -0.655 61.437 62.100 -0.013 0.000 0.988 842 T CB 2.841 71.709 68.868 -0.001 0.000 1.043 842 T HN -0.040 nan 8.240 nan 0.000 0.461 843 R N 2.034 122.511 120.500 -0.037 0.000 2.686 843 R HA 0.731 5.071 4.340 -0.001 0.000 0.286 843 R C -1.930 174.348 176.300 -0.036 0.000 0.969 843 R CA -0.909 55.169 56.100 -0.037 0.000 0.898 843 R CB 1.290 31.504 30.300 -0.144 0.000 1.183 843 R HN 0.453 nan 8.270 nan 0.000 0.456 844 L N 2.699 123.931 121.223 0.014 0.000 2.349 844 L HA 0.495 4.835 4.340 -0.001 0.000 0.278 844 L C -1.306 175.605 176.870 0.067 0.000 0.996 844 L CA 0.076 54.919 54.840 0.004 0.000 0.825 844 L CB 2.241 44.290 42.059 -0.016 0.000 1.243 844 L HN 0.642 nan 8.230 nan 0.000 0.412 845 T N 5.687 120.261 114.554 0.033 0.000 2.807 845 T HA 0.554 4.904 4.350 -0.001 0.000 0.279 845 T C -1.000 173.763 174.700 0.105 0.000 0.993 845 T CA -0.276 61.883 62.100 0.098 0.000 0.970 845 T CB 1.391 70.246 68.868 -0.021 0.000 0.950 845 T HN 0.448 nan 8.240 nan 0.000 0.441 846 L N 5.172 126.491 121.223 0.161 0.000 2.298 846 L HA 0.521 4.861 4.340 -0.001 0.000 0.284 846 L C -1.231 175.780 176.870 0.235 0.000 1.013 846 L CA -0.709 54.236 54.840 0.175 0.000 0.824 846 L CB 0.496 42.638 42.059 0.138 0.000 1.221 846 L HN 0.416 nan 8.230 nan 0.000 0.418 847 L N 3.764 125.126 121.223 0.232 0.000 2.343 847 L HA 0.579 4.919 4.340 -0.001 0.000 0.275 847 L C 0.480 177.491 176.870 0.235 0.000 1.056 847 L CA -0.137 54.838 54.840 0.224 0.000 0.804 847 L CB 1.230 43.388 42.059 0.166 0.000 1.203 847 L HN 0.607 nan 8.230 nan 0.000 0.440 848 T N 0.267 114.913 114.554 0.152 0.000 2.887 848 T HA 0.617 4.967 4.350 -0.001 0.000 0.288 848 T C 0.720 175.379 174.700 -0.069 0.000 1.021 848 T CA -0.175 61.934 62.100 0.015 0.000 1.000 848 T CB 1.614 70.512 68.868 0.049 0.000 1.034 848 T HN 0.781 nan 8.240 nan 0.000 0.467 849 G N 2.659 111.346 108.800 -0.189 0.000 3.284 849 G HA2 0.347 4.307 3.960 -0.001 0.000 0.236 849 G HA3 0.347 4.307 3.960 -0.001 0.000 0.236 849 G C -0.021 174.812 174.900 -0.113 0.000 1.158 849 G CA -0.210 44.809 45.100 -0.135 0.000 0.774 849 G HN 0.704 nan 8.290 nan 0.000 0.545 850 Q N -0.213 119.518 119.800 -0.115 0.000 2.479 850 Q HA 0.294 4.634 4.340 -0.001 0.000 0.276 850 Q C -3.546 172.416 176.000 -0.063 0.000 0.989 850 Q CA -2.299 53.463 55.803 -0.069 0.000 0.864 850 Q CB 1.861 30.576 28.738 -0.039 0.000 1.444 850 Q HN -0.009 nan 8.270 nan 0.000 0.388 851 P HA 0.456 nan 4.420 nan 0.000 0.281 851 P C -0.671 176.615 177.300 -0.023 0.000 1.252 851 P CA -0.137 62.945 63.100 -0.031 0.000 0.778 851 P CB 0.979 32.668 31.700 -0.019 0.000 0.895 852 L N 1.582 122.786 121.223 -0.032 0.000 2.491 852 L HA 0.665 5.005 4.340 -0.001 0.000 0.254 852 L C 0.717 177.604 176.870 0.028 0.000 1.048 852 L CA -1.153 53.691 54.840 0.007 0.000 0.855 852 L CB 2.083 44.130 42.059 -0.020 0.000 1.466 852 L HN 0.337 nan 8.230 nan 0.000 0.409 853 G N -0.917 107.956 108.800 0.121 0.000 2.420 853 G HA2 0.672 4.632 3.960 -0.001 0.000 0.284 853 G HA3 0.672 4.632 3.960 -0.001 0.000 0.284 853 G C -0.480 174.452 174.900 0.053 0.000 1.177 853 G CA 0.121 45.352 45.100 0.217 0.000 0.841 853 G HN 0.871 nan 8.290 nan 0.000 0.527 854 G N -1.361 107.293 108.800 -0.244 0.000 2.550 854 G HA2 0.680 4.640 3.960 -0.001 0.000 0.293 854 G HA3 0.680 4.640 3.960 -0.001 0.000 0.293 854 G C -1.197 173.257 174.900 -0.743 0.000 1.402 854 G CA 0.398 45.152 45.100 -0.577 0.000 0.784 854 G HN 1.260 nan 8.290 nan 0.000 0.482 855 S N -1.885 113.435 115.700 -0.633 0.000 2.661 855 S HA 0.722 5.192 4.470 -0.001 0.000 0.268 855 S C -1.540 172.607 174.600 -0.754 0.000 1.162 855 S CA 0.298 58.128 58.200 -0.617 0.000 0.817 855 S CB 1.339 64.237 63.200 -0.503 0.000 1.141 855 S HN 1.517 nan 8.310 nan 0.000 0.477 856 S N 1.654 116.612 115.700 -1.237 0.000 2.718 856 S HA 0.490 4.959 4.470 -0.001 0.000 0.294 856 S C 0.160 174.505 174.600 -0.425 0.000 1.157 856 S CA -0.636 57.108 58.200 -0.761 0.000 1.121 856 S CB -0.028 62.673 63.200 -0.832 0.000 1.015 856 S HN 0.576 nan 8.310 nan 0.000 0.479 857 L N 3.188 124.301 121.223 -0.183 0.000 2.558 857 L HA 0.493 4.832 4.340 -0.001 0.000 0.225 857 L C 0.846 177.705 176.870 -0.018 0.000 1.128 857 L CA 0.234 55.046 54.840 -0.046 0.000 0.868 857 L CB 0.021 42.112 42.059 0.052 0.000 1.006 857 L HN 0.695 nan 8.230 nan 0.000 0.454 858 A N -1.213 121.585 122.820 -0.038 0.000 2.604 858 A HA 0.455 4.775 4.320 -0.001 0.000 0.295 858 A C -0.441 177.138 177.584 -0.009 0.000 1.067 858 A CA -0.445 51.588 52.037 -0.008 0.000 0.683 858 A CB 1.215 20.218 19.000 0.004 0.000 1.281 858 A HN -0.139 nan 8.150 nan 0.000 0.407 859 S N -0.064 115.644 115.700 0.014 0.000 2.558 859 S HA 0.394 4.863 4.470 -0.001 0.000 0.293 859 S C 1.543 176.157 174.600 0.023 0.000 1.292 859 S CA 1.927 60.143 58.200 0.026 0.000 1.063 859 S CB -0.059 63.160 63.200 0.032 0.000 0.831 859 S HN 2.662 nan 8.310 nan 0.000 0.499 860 G N 3.409 112.226 108.800 0.029 0.000 2.179 860 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.260 860 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.260 860 G C -0.156 174.739 174.900 -0.009 0.000 0.977 860 G CA 0.486 45.602 45.100 0.027 0.000 0.641 860 G HN 0.721 nan 8.290 nan 0.000 0.533 861 E N -0.440 119.740 120.200 -0.034 0.000 2.212 861 E HA 0.761 5.111 4.350 -0.001 0.000 0.270 861 E C -0.199 176.336 176.600 -0.108 0.000 0.956 861 E CA -0.725 55.632 56.400 -0.071 0.000 0.825 861 E CB 1.784 31.442 29.700 -0.069 0.000 1.167 861 E HN 0.249 nan 8.360 nan 0.000 0.400 862 L N 1.779 122.932 121.223 -0.116 0.000 2.388 862 L HA 0.480 4.819 4.340 -0.001 0.000 0.264 862 L C -0.555 176.240 176.870 -0.124 0.000 0.998 862 L CA -0.645 54.116 54.840 -0.132 0.000 0.817 862 L CB 1.989 44.001 42.059 -0.079 0.000 1.338 862 L HN 0.660 nan 8.230 nan 0.000 0.414 863 E N 2.840 122.958 120.200 -0.136 0.000 2.390 863 E HA 0.713 5.062 4.350 -0.001 0.000 0.277 863 E C -1.544 175.006 176.600 -0.084 0.000 0.939 863 E CA -0.847 55.504 56.400 -0.081 0.000 0.769 863 E CB 3.367 33.064 29.700 -0.005 0.000 1.251 863 E HN 0.532 nan 8.360 nan 0.000 0.450 864 I N 2.146 122.705 120.570 -0.018 0.000 2.610 864 I HA 0.311 4.480 4.170 -0.001 0.000 0.289 864 I C -1.410 174.767 176.117 0.100 0.000 1.163 864 I CA -1.103 60.209 61.300 0.020 0.000 1.044 864 I CB 1.951 39.966 38.000 0.025 0.000 1.251 864 I HN 0.776 nan 8.210 nan 0.000 0.424 865 M N 6.302 125.998 119.600 0.159 0.000 2.228 865 M HA 0.218 4.697 4.480 -0.001 0.000 0.351 865 M C 0.582 176.974 176.300 0.153 0.000 1.233 865 M CA 0.632 56.032 55.300 0.167 0.000 1.129 865 M CB 0.915 33.587 32.600 0.119 0.000 1.604 865 M HN 0.573 nan 8.290 nan 0.000 0.457 866 Q N 1.425 121.349 119.800 0.206 0.000 2.287 866 Q HA 0.258 4.597 4.340 -0.001 0.000 0.201 866 Q C -0.247 175.950 176.000 0.330 0.000 0.946 866 Q CA 0.816 56.805 55.803 0.309 0.000 0.868 866 Q CB 0.386 29.339 28.738 0.358 0.000 0.967 866 Q HN 0.763 nan 8.270 nan 0.000 0.516 867 D N -0.899 119.630 120.400 0.215 0.000 2.671 867 D HA 0.299 4.939 4.640 -0.001 0.000 0.273 867 D C -1.432 174.937 176.300 0.114 0.000 1.264 867 D CA -0.491 53.614 54.000 0.174 0.000 0.788 867 D CB 1.469 42.364 40.800 0.158 0.000 1.324 867 D HN 0.039 nan 8.370 nan 0.000 0.424 868 R N 0.778 121.334 120.500 0.094 0.000 2.584 868 R HA 0.674 5.014 4.340 -0.001 0.000 0.276 868 R C -1.091 175.251 176.300 0.071 0.000 1.046 868 R CA -1.046 55.094 56.100 0.067 0.000 0.906 868 R CB 2.078 32.391 30.300 0.022 0.000 1.215 868 R HN 0.322 nan 8.270 nan 0.000 0.449 869 R N 3.769 124.309 120.500 0.066 0.000 2.451 869 R HA 0.490 4.830 4.340 -0.001 0.000 0.307 869 R C -1.502 174.832 176.300 0.057 0.000 0.965 869 R CA -0.579 55.557 56.100 0.060 0.000 0.865 869 R CB 1.313 31.645 30.300 0.053 0.000 1.174 869 R HN 0.717 nan 8.270 nan 0.000 0.455 870 L N 3.832 125.087 121.223 0.053 0.000 2.409 870 L HA 0.524 4.863 4.340 -0.001 0.000 0.272 870 L C 0.668 177.564 176.870 0.043 0.000 0.980 870 L CA -0.558 54.312 54.840 0.050 0.000 0.826 870 L CB 2.183 44.272 42.059 0.050 0.000 1.268 870 L HN 0.807 nan 8.230 nan 0.000 0.407 871 A N 1.495 124.338 122.820 0.038 0.000 2.067 871 A HA 0.158 4.478 4.320 -0.001 0.000 0.217 871 A C 0.944 178.546 177.584 0.030 0.000 1.156 871 A CA 0.649 52.706 52.037 0.033 0.000 0.683 871 A CB 0.032 19.049 19.000 0.029 0.000 0.808 871 A HN 0.603 nan 8.150 nan 0.000 0.455 872 S N 0.025 115.743 115.700 0.030 0.000 2.608 872 S HA 0.401 4.871 4.470 -0.001 0.000 0.291 872 S C -0.625 173.995 174.600 0.032 0.000 1.146 872 S CA -0.638 57.577 58.200 0.026 0.000 1.043 872 S CB 1.436 64.647 63.200 0.019 0.000 1.037 872 S HN 0.486 nan 8.310 nan 0.000 0.520 873 D N 0.587 121.006 120.400 0.032 0.000 2.345 873 D HA 0.181 4.821 4.640 -0.001 0.000 0.247 873 D C -0.104 176.213 176.300 0.029 0.000 1.108 873 D CA -0.316 53.710 54.000 0.044 0.000 0.894 873 D CB 0.649 41.473 40.800 0.041 0.000 1.203 873 D HN 0.498 nan 8.370 nan 0.000 0.430 874 D N 2.309 122.732 120.400 0.039 0.000 2.525 874 D HA 0.068 4.708 4.640 -0.001 0.000 0.229 874 D C -0.358 175.900 176.300 -0.070 0.000 1.202 874 D CA -0.299 53.691 54.000 -0.017 0.000 0.828 874 D CB -0.388 40.396 40.800 -0.027 0.000 1.008 874 D HN 0.675 nan 8.370 nan 0.000 0.493 875 E N -0.260 119.922 120.200 -0.030 0.000 2.868 875 E HA -0.206 4.143 4.350 -0.001 0.000 0.278 875 E C 0.213 176.760 176.600 -0.088 0.000 1.009 875 E CA 0.203 56.578 56.400 -0.041 0.000 0.856 875 E CB -0.736 28.938 29.700 -0.043 0.000 1.428 875 E HN 0.215 nan 8.360 nan 0.000 0.423 876 R N -0.558 119.852 120.500 -0.149 0.000 2.509 876 R HA 0.224 4.564 4.340 -0.001 0.000 0.300 876 R C 1.371 177.714 176.300 0.070 0.000 0.985 876 R CA 0.670 56.601 56.100 -0.281 0.000 1.092 876 R CB 0.972 30.623 30.300 -1.082 0.000 1.237 876 R HN 0.403 nan 8.270 nan 0.000 0.546 877 G N 0.723 109.656 108.800 0.222 0.000 2.201 877 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.212 877 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.212 877 G C 0.743 175.763 174.900 0.201 0.000 0.994 877 G CA 0.221 45.546 45.100 0.375 0.000 0.644 877 G HN 0.291 nan 8.290 nan 0.000 0.508 878 L N 1.484 122.910 121.223 0.338 0.000 2.093 878 L HA 0.445 4.785 4.340 -0.001 0.000 0.208 878 L C 2.208 179.067 176.870 -0.017 0.000 1.085 878 L CA 2.789 57.712 54.840 0.140 0.000 0.755 878 L CB -0.631 41.656 42.059 0.380 0.000 0.904 878 L HN 1.711 nan 8.230 nan 0.000 0.435 879 G N -0.392 108.431 108.800 0.039 0.000 2.176 879 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.252 879 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.252 879 G C 0.063 174.971 174.900 0.013 0.000 1.024 879 G CA 0.648 45.753 45.100 0.008 0.000 0.755 879 G HN 0.800 nan 8.290 nan 0.000 0.507 880 Q N -1.931 117.892 119.800 0.038 0.000 2.575 880 Q HA 0.682 5.021 4.340 -0.001 0.000 0.290 880 Q C 0.431 176.462 176.000 0.051 0.000 0.963 880 Q CA -0.626 55.199 55.803 0.037 0.000 0.783 880 Q CB 0.522 29.280 28.738 0.032 0.000 1.467 880 Q HN 0.933 nan 8.270 nan 0.000 0.402 881 G N 0.076 108.903 108.800 0.044 0.000 2.494 881 G HA2 0.468 4.428 3.960 -0.001 0.000 0.270 881 G HA3 0.468 4.428 3.960 -0.001 0.000 0.270 881 G C -0.868 174.063 174.900 0.051 0.000 1.423 881 G CA -0.610 44.518 45.100 0.047 0.000 1.055 881 G HN 0.405 nan 8.290 nan 0.000 0.536 882 V N 0.833 120.778 119.914 0.052 0.000 2.284 882 V HA 0.333 4.453 4.120 -0.001 0.000 0.274 882 V C 0.142 176.272 176.094 0.060 0.000 1.023 882 V CA -0.139 62.198 62.300 0.062 0.000 0.808 882 V CB 0.835 32.697 31.823 0.066 0.000 1.035 882 V HN 0.543 nan 8.190 nan 0.000 0.445 883 L N 3.247 124.504 121.223 0.057 0.000 3.229 883 L HA 0.323 4.662 4.340 -0.001 0.000 0.286 883 L C 0.608 177.507 176.870 0.048 0.000 1.239 883 L CA 0.031 54.900 54.840 0.048 0.000 1.035 883 L CB 0.707 42.789 42.059 0.038 0.000 1.408 883 L HN 0.661 nan 8.230 nan 0.000 0.593 884 D N -2.117 118.320 120.400 0.062 0.000 2.559 884 D HA 0.059 4.698 4.640 -0.001 0.000 0.234 884 D C 0.141 176.483 176.300 0.070 0.000 1.226 884 D CA -0.455 53.583 54.000 0.063 0.000 0.830 884 D CB -0.386 40.460 40.800 0.076 0.000 1.028 884 D HN 0.074 nan 8.370 nan 0.000 0.492 885 N N 1.677 120.416 118.700 0.065 0.000 2.374 885 N HA 0.104 4.844 4.740 -0.001 0.000 0.241 885 N C 0.179 175.700 175.510 0.019 0.000 1.262 885 N CA 0.372 53.460 53.050 0.063 0.000 0.880 885 N CB 0.627 39.147 38.487 0.056 0.000 1.105 885 N HN 0.323 nan 8.380 nan 0.000 0.438 886 K N -0.516 119.883 120.400 -0.001 0.000 2.532 886 K HA 0.549 4.869 4.320 -0.001 0.000 0.265 886 K C -3.251 173.324 176.600 -0.043 0.000 0.948 886 K CA -2.002 54.241 56.287 -0.073 0.000 0.842 886 K CB 1.316 33.689 32.500 -0.211 0.000 1.392 886 K HN 0.126 nan 8.250 nan 0.000 0.436 887 P HA -0.027 nan 4.420 nan 0.000 0.264 887 P C -1.043 176.277 177.300 0.034 0.000 1.183 887 P CA -0.434 62.648 63.100 -0.031 0.000 0.763 887 P CB 0.736 32.407 31.700 -0.049 0.000 0.807 888 V N 5.064 124.964 119.914 -0.022 0.000 2.760 888 V HA 0.458 4.578 4.120 -0.001 0.000 0.309 888 V C -1.302 174.667 176.094 -0.209 0.000 1.077 888 V CA -1.098 61.166 62.300 -0.061 0.000 0.910 888 V CB 2.104 33.868 31.823 -0.098 0.000 1.008 888 V HN 0.288 nan 8.190 nan 0.000 0.424 889 L N 7.098 128.225 121.223 -0.161 0.000 2.270 889 L HA 0.582 4.921 4.340 -0.001 0.000 0.286 889 L C -0.315 176.527 176.870 -0.047 0.000 1.059 889 L CA 0.148 54.925 54.840 -0.106 0.000 0.839 889 L CB 0.228 42.248 42.059 -0.066 0.000 1.221 889 L HN 0.695 nan 8.230 nan 0.000 0.431 890 H N 5.663 124.747 119.070 0.023 0.000 2.582 890 H HA 0.461 5.016 4.556 -0.001 0.000 0.345 890 H C -0.076 175.151 175.328 -0.168 0.000 1.104 890 H CA -0.165 55.842 56.048 -0.069 0.000 1.390 890 H CB 1.211 30.998 29.762 0.041 0.000 1.461 890 H HN 0.693 nan 8.280 nan 0.000 0.551 891 I N 0.261 120.664 120.570 -0.278 0.000 2.689 891 I HA 0.606 4.776 4.170 -0.001 0.000 0.299 891 I C -1.427 174.342 176.117 -0.581 0.000 1.059 891 I CA -0.939 60.208 61.300 -0.254 0.000 1.055 891 I CB 2.091 40.033 38.000 -0.096 0.000 1.243 891 I HN 0.242 nan 8.210 nan 0.000 0.425 892 Y N 2.628 122.970 120.300 0.069 0.000 2.625 892 Y HA 0.692 5.241 4.550 -0.001 0.000 0.338 892 Y C -0.607 175.339 175.900 0.077 0.000 1.123 892 Y CA -1.092 57.056 58.100 0.080 0.000 1.046 892 Y CB 1.585 40.112 38.460 0.112 0.000 1.299 892 Y HN 0.420 nan 8.280 nan 0.000 0.464 893 R N 1.371 122.024 120.500 0.254 0.000 2.686 893 R HA 0.615 4.955 4.340 -0.001 0.000 0.286 893 R C -1.914 174.495 176.300 0.181 0.000 0.969 893 R CA -1.157 55.049 56.100 0.178 0.000 0.898 893 R CB 2.654 33.018 30.300 0.107 0.000 1.183 893 R HN 0.646 nan 8.270 nan 0.000 0.456 894 L N 2.393 123.704 121.223 0.147 0.000 2.342 894 L HA 0.414 4.753 4.340 -0.001 0.000 0.276 894 L C -1.233 175.667 176.870 0.049 0.000 0.997 894 L CA -0.559 54.345 54.840 0.106 0.000 0.838 894 L CB 1.786 43.921 42.059 0.128 0.000 1.224 894 L HN 0.309 nan 8.230 nan 0.000 0.416 895 V N 6.200 126.127 119.914 0.023 0.000 2.326 895 V HA 0.395 4.515 4.120 -0.001 0.000 0.281 895 V C -0.293 175.779 176.094 -0.037 0.000 1.015 895 V CA -0.579 61.715 62.300 -0.010 0.000 0.823 895 V CB 1.346 33.156 31.823 -0.022 0.000 1.009 895 V HN 0.630 nan 8.190 nan 0.000 0.436 896 L N 5.417 126.614 121.223 -0.043 0.000 2.275 896 L HA 0.672 5.012 4.340 -0.001 0.000 0.288 896 L C -0.116 176.718 176.870 -0.059 0.000 1.046 896 L CA 0.677 55.484 54.840 -0.055 0.000 0.805 896 L CB 1.024 43.048 42.059 -0.058 0.000 1.193 896 L HN 0.728 nan 8.230 nan 0.000 0.426 897 E N 3.638 123.796 120.200 -0.070 0.000 2.383 897 E HA 0.424 4.774 4.350 -0.001 0.000 0.275 897 E C -1.260 175.298 176.600 -0.070 0.000 0.918 897 E CA -1.192 55.163 56.400 -0.075 0.000 0.764 897 E CB 1.547 31.185 29.700 -0.103 0.000 1.252 897 E HN 0.258 nan 8.360 nan 0.000 0.449 898 K N 1.438 121.800 120.400 -0.062 0.000 2.276 898 K HA 0.184 4.503 4.320 -0.001 0.000 0.283 898 K C 0.435 176.995 176.600 -0.067 0.000 1.044 898 K CA -0.139 56.115 56.287 -0.055 0.000 0.944 898 K CB 1.222 33.695 32.500 -0.045 0.000 1.012 898 K HN 0.480 nan 8.250 nan 0.000 0.472 899 V N -0.445 119.431 119.914 -0.064 0.000 3.346 899 V HA 0.014 4.133 4.120 -0.001 0.000 0.309 899 V C 1.226 177.288 176.094 -0.054 0.000 1.457 899 V CA -0.235 62.020 62.300 -0.075 0.000 1.069 899 V CB -0.279 31.483 31.823 -0.102 0.000 0.944 899 V HN 0.620 nan 8.190 nan 0.000 0.449 900 N N 1.691 120.367 118.700 -0.039 0.000 2.272 900 N HA -0.208 4.532 4.740 -0.001 0.000 0.185 900 N C 1.040 176.531 175.510 -0.031 0.000 1.014 900 N CA 1.841 54.874 53.050 -0.028 0.000 0.870 900 N CB -0.560 37.915 38.487 -0.021 0.000 0.975 900 N HN 0.555 nan 8.380 nan 0.000 0.433 901 N N 0.025 118.702 118.700 -0.038 0.000 2.336 901 N HA 0.066 4.805 4.740 -0.001 0.000 0.189 901 N C -0.248 175.234 175.510 -0.047 0.000 1.113 901 N CA -0.074 52.953 53.050 -0.039 0.000 0.858 901 N CB 0.066 38.530 38.487 -0.038 0.000 0.970 901 N HN 0.222 nan 8.380 nan 0.000 0.471 902 c N 1.368 119.934 118.600 -0.057 0.000 2.593 902 c HA 0.261 4.831 4.570 -0.001 0.000 0.409 902 c C 1.047 175.101 174.090 -0.060 0.000 1.304 902 c CA -0.944 55.343 56.329 -0.070 0.000 2.007 902 c CB 0.756 43.210 42.510 -0.093 0.000 2.614 902 c HN 0.013 nan 8.230 nan 0.000 0.585 903 V N 5.770 125.645 119.914 -0.065 0.000 2.370 903 V HA 0.202 4.322 4.120 -0.001 0.000 0.257 903 V C 0.639 176.696 176.094 -0.062 0.000 1.064 903 V CA 0.404 62.669 62.300 -0.058 0.000 0.975 903 V CB -0.672 31.113 31.823 -0.063 0.000 1.067 903 V HN 0.795 nan 8.190 nan 0.000 0.485 904 R N 4.589 125.064 120.500 -0.040 0.000 2.758 904 R HA 0.551 4.890 4.340 -0.001 0.000 0.265 904 R C -2.442 173.851 176.300 -0.011 0.000 1.016 904 R CA -1.868 54.216 56.100 -0.026 0.000 1.040 904 R CB 1.093 31.382 30.300 -0.018 0.000 1.152 904 R HN 0.398 nan 8.270 nan 0.000 0.503 905 P HA -0.042 nan 4.420 nan 0.000 0.269 905 P C -0.376 176.962 177.300 0.063 0.000 1.217 905 P CA -0.181 62.906 63.100 -0.023 0.000 0.783 905 P CB 0.559 32.176 31.700 -0.140 0.000 0.898 906 S N 1.065 116.828 115.700 0.105 0.000 2.596 906 S HA 0.071 4.541 4.470 -0.001 0.000 0.260 906 S C 1.114 175.793 174.600 0.132 0.000 1.336 906 S CA -0.172 58.093 58.200 0.109 0.000 0.993 906 S CB 0.317 63.582 63.200 0.109 0.000 0.923 906 S HN 0.321 nan 8.310 nan 0.000 0.567 907 K N 0.220 120.679 120.400 0.100 0.000 2.211 907 K HA 0.002 4.321 4.320 -0.001 0.000 0.204 907 K C 1.464 178.119 176.600 0.092 0.000 1.047 907 K CA 1.285 57.627 56.287 0.093 0.000 0.935 907 K CB -0.546 31.992 32.500 0.065 0.000 0.728 907 K HN 0.565 nan 8.250 nan 0.000 0.452 908 L N -0.096 121.184 121.223 0.096 0.000 2.592 908 L HA 0.041 4.380 4.340 -0.001 0.000 0.227 908 L C 1.010 177.933 176.870 0.088 0.000 1.127 908 L CA -0.230 54.651 54.840 0.069 0.000 0.884 908 L CB -0.182 41.903 42.059 0.043 0.000 1.065 908 L HN 0.222 nan 8.230 nan 0.000 0.457 909 H N 2.552 121.660 119.070 0.063 0.000 2.803 909 H HA 0.097 4.653 4.556 -0.001 0.000 0.330 909 H C -1.709 173.661 175.328 0.069 0.000 1.057 909 H CA -1.388 54.711 56.048 0.084 0.000 1.458 909 H CB 1.814 31.653 29.762 0.128 0.000 1.470 909 H HN -0.079 nan 8.280 nan 0.000 0.560 910 P HA 0.140 nan 4.420 nan 0.000 0.249 910 P C -0.402 177.003 177.300 0.175 0.000 1.229 910 P CA 0.174 63.312 63.100 0.062 0.000 0.788 910 P CB 0.480 32.144 31.700 -0.060 0.000 1.072 911 A N -0.332 122.756 122.820 0.447 0.000 2.299 911 A HA 0.757 5.077 4.320 -0.001 0.000 0.332 911 A C 0.296 177.947 177.584 0.111 0.000 1.131 911 A CA -0.304 51.869 52.037 0.227 0.000 0.844 911 A CB 1.041 20.164 19.000 0.205 0.000 1.251 911 A HN 0.167 nan 8.150 nan 0.000 0.486 912 G N -1.411 107.327 108.800 -0.105 0.000 2.658 912 G HA2 0.636 4.596 3.960 -0.001 0.000 0.292 912 G HA3 0.636 4.596 3.960 -0.001 0.000 0.292 912 G C -1.861 172.651 174.900 -0.647 0.000 1.320 912 G CA -0.419 44.511 45.100 -0.283 0.000 0.933 912 G HN 0.529 nan 8.290 nan 0.000 0.476 913 Y N -0.868 119.391 120.300 -0.069 0.000 2.492 913 Y HA 0.478 5.028 4.550 -0.001 0.000 0.346 913 Y C 0.364 176.025 175.900 -0.399 0.000 0.997 913 Y CA -0.844 57.149 58.100 -0.178 0.000 1.025 913 Y CB 1.986 40.336 38.460 -0.184 0.000 1.263 913 Y HN 0.353 nan 8.280 nan 0.000 0.454 914 L N 2.231 123.285 121.223 -0.282 0.000 2.464 914 L HA 0.330 4.670 4.340 -0.001 0.000 0.264 914 L C 0.777 177.496 176.870 -0.251 0.000 1.199 914 L CA -0.482 54.123 54.840 -0.393 0.000 0.818 914 L CB 0.669 42.570 42.059 -0.263 0.000 1.102 914 L HN 0.792 nan 8.230 nan 0.000 0.473 915 T N -2.061 112.336 114.554 -0.263 0.000 2.816 915 T HA 0.124 4.473 4.350 -0.001 0.000 0.282 915 T C 1.181 175.830 174.700 -0.085 0.000 0.993 915 T CA -0.590 61.408 62.100 -0.170 0.000 0.994 915 T CB 1.306 70.071 68.868 -0.172 0.000 1.025 915 T HN 0.563 nan 8.240 nan 0.000 0.529 916 S N 1.021 116.683 115.700 -0.062 0.000 2.365 916 S HA -0.156 4.314 4.470 -0.001 0.000 0.225 916 S C 2.478 177.087 174.600 0.015 0.000 1.039 916 S CA 1.376 59.572 58.200 -0.007 0.000 1.033 916 S CB -1.077 62.106 63.200 -0.029 0.000 0.887 916 S HN 0.909 nan 8.310 nan 0.000 0.447 917 A N 1.289 124.095 122.820 -0.023 0.000 1.933 917 A HA 0.148 4.467 4.320 -0.001 0.000 0.218 917 A C 2.338 179.915 177.584 -0.011 0.000 1.175 917 A CA 1.689 53.715 52.037 -0.019 0.000 0.628 917 A CB -0.981 17.999 19.000 -0.034 0.000 0.814 917 A HN 0.530 nan 8.150 nan 0.000 0.444 918 A N -1.388 121.413 122.820 -0.031 0.000 1.929 918 A HA -0.161 4.159 4.320 -0.001 0.000 0.216 918 A C 2.110 179.720 177.584 0.044 0.000 1.176 918 A CA 1.568 53.590 52.037 -0.024 0.000 0.628 918 A CB -0.914 18.018 19.000 -0.113 0.000 0.816 918 A HN 0.773 nan 8.150 nan 0.000 0.444 919 H N 0.050 119.104 119.070 -0.027 0.000 2.321 919 H HA -0.063 4.492 4.556 -0.001 0.000 0.300 919 H C 1.853 177.212 175.328 0.052 0.000 1.087 919 H CA 1.844 57.911 56.048 0.031 0.000 1.319 919 H CB -0.041 29.733 29.762 0.021 0.000 1.379 919 H HN 0.433 nan 8.280 nan 0.000 0.501 920 K N 0.207 120.563 120.400 -0.073 0.000 2.097 920 K HA -0.087 4.232 4.320 -0.001 0.000 0.206 920 K C 2.392 178.952 176.600 -0.066 0.000 1.049 920 K CA 0.895 57.122 56.287 -0.099 0.000 0.933 920 K CB -0.054 32.435 32.500 -0.018 0.000 0.717 920 K HN 0.274 nan 8.250 nan 0.000 0.442 921 A N 0.838 123.643 122.820 -0.025 0.000 1.902 921 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 921 A C 2.206 179.789 177.584 -0.002 0.000 1.181 921 A CA 2.042 54.078 52.037 -0.001 0.000 0.623 921 A CB -0.667 18.347 19.000 0.024 0.000 0.818 921 A HN 0.286 nan 8.150 nan 0.000 0.443 922 S N -0.662 115.040 115.700 0.003 0.000 2.368 922 S HA -0.239 4.231 4.470 -0.001 0.000 0.225 922 S C 2.139 176.720 174.600 -0.032 0.000 1.030 922 S CA 1.733 59.949 58.200 0.027 0.000 0.999 922 S CB -0.413 62.850 63.200 0.105 0.000 0.844 922 S HN 0.677 nan 8.310 nan 0.000 0.459 923 Q N 0.610 120.346 119.800 -0.106 0.000 2.170 923 Q HA -0.092 4.248 4.340 -0.001 0.000 0.203 923 Q C 2.505 178.450 176.000 -0.092 0.000 0.976 923 Q CA 1.665 57.405 55.803 -0.105 0.000 0.858 923 Q CB -0.316 28.339 28.738 -0.138 0.000 0.907 923 Q HN 0.817 nan 8.270 nan 0.000 0.433 924 S N 0.295 115.952 115.700 -0.072 0.000 2.423 924 S HA -0.092 4.378 4.470 -0.001 0.000 0.231 924 S C 1.866 176.406 174.600 -0.099 0.000 1.014 924 S CA 0.718 58.874 58.200 -0.073 0.000 0.965 924 S CB -0.251 62.926 63.200 -0.039 0.000 0.785 924 S HN 0.282 nan 8.310 nan 0.000 0.495 925 L N 0.051 121.224 121.223 -0.084 0.000 2.127 925 L HA 0.208 4.548 4.340 -0.001 0.000 0.203 925 L C 2.529 179.308 176.870 -0.152 0.000 1.080 925 L CA 0.786 55.568 54.840 -0.097 0.000 0.768 925 L CB -0.374 41.651 42.059 -0.056 0.000 0.924 925 L HN 0.283 nan 8.230 nan 0.000 0.444 926 L N -1.235 119.903 121.223 -0.143 0.000 2.249 926 L HA 0.028 4.367 4.340 -0.001 0.000 0.207 926 L C 0.200 176.895 176.870 -0.292 0.000 1.090 926 L CA 0.776 55.507 54.840 -0.181 0.000 0.802 926 L CB 0.101 42.090 42.059 -0.117 0.000 0.947 926 L HN 0.203 nan 8.230 nan 0.000 0.453 927 D N 0.286 120.509 120.400 -0.294 0.000 2.739 927 D HA 0.227 4.867 4.640 -0.001 0.000 0.335 927 D C -2.345 173.720 176.300 -0.392 0.000 1.216 927 D CA -0.956 52.803 54.000 -0.400 0.000 0.808 927 D CB 1.263 42.027 40.800 -0.061 0.000 1.121 927 D HN 0.057 nan 8.370 nan 0.000 0.499 928 P HA 0.099 nan 4.420 nan 0.000 0.274 928 P C 0.633 177.806 177.300 -0.212 0.000 1.260 928 P CA -0.477 62.448 63.100 -0.292 0.000 0.793 928 P CB 1.462 32.994 31.700 -0.280 0.000 1.048 929 L N 0.758 121.919 121.223 -0.103 0.000 2.514 929 L HA 0.053 4.393 4.340 -0.001 0.000 0.280 929 L C 0.912 177.798 176.870 0.026 0.000 1.223 929 L CA 0.508 55.341 54.840 -0.012 0.000 0.864 929 L CB -0.372 41.692 42.059 0.009 0.000 1.118 929 L HN 0.283 nan 8.230 nan 0.000 0.494 930 D N 3.328 123.831 120.400 0.172 0.000 2.225 930 D HA 0.325 4.965 4.640 -0.001 0.000 0.249 930 D C -0.312 176.052 176.300 0.106 0.000 1.052 930 D CA -0.276 53.820 54.000 0.159 0.000 0.909 930 D CB 1.631 42.624 40.800 0.322 0.000 1.186 930 D HN 0.375 nan 8.370 nan 0.000 0.431 931 K N 1.379 121.723 120.400 -0.094 0.000 2.345 931 K HA 0.471 4.791 4.320 -0.001 0.000 0.255 931 K C -1.019 175.532 176.600 -0.081 0.000 0.934 931 K CA -0.643 55.687 56.287 0.072 0.000 0.801 931 K CB 1.591 34.094 32.500 0.006 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.601 122.757 119.950 0.343 0.000 2.540 932 F HA 0.495 5.022 4.527 -0.001 0.000 0.317 932 F C -0.020 176.063 175.800 0.471 0.000 1.104 932 F CA -0.883 57.303 58.000 0.311 0.000 0.913 932 F CB 1.309 40.326 39.000 0.028 0.000 1.170 932 F HN 0.199 nan 8.300 nan 0.000 0.450 933 I N 3.526 124.469 120.570 0.622 0.000 2.362 933 I HA 0.221 4.391 4.170 -0.001 0.000 0.289 933 I C -0.554 175.838 176.117 0.458 0.000 0.994 933 I CA -0.838 60.751 61.300 0.482 0.000 1.158 933 I CB 1.251 39.434 38.000 0.305 0.000 1.315 933 I HN 0.440 nan 8.210 nan 0.000 0.451 934 F N 5.776 125.881 119.950 0.258 0.000 2.578 934 F HA 0.193 4.719 4.527 -0.001 0.000 0.376 934 F C 1.183 176.900 175.800 -0.138 0.000 1.085 934 F CA 0.071 57.938 58.000 -0.222 0.000 1.260 934 F CB 1.167 40.052 39.000 -0.192 0.000 1.095 934 F HN 0.587 nan 8.300 nan 0.000 0.573 935 A N 4.238 126.465 122.820 -0.989 0.000 2.132 935 A HA 0.138 4.457 4.320 -0.001 0.000 0.213 935 A C 0.811 178.108 177.584 -0.480 0.000 1.154 935 A CA 0.385 52.074 52.037 -0.581 0.000 0.753 935 A CB -0.250 18.404 19.000 -0.578 0.000 0.826 935 A HN 0.673 nan 8.150 nan 0.000 0.469 936 E N -0.744 119.037 120.200 -0.698 0.000 2.390 936 E HA 0.240 4.590 4.350 -0.001 0.000 0.249 936 E C 0.005 176.697 176.600 0.153 0.000 0.981 936 E CA -0.827 55.467 56.400 -0.177 0.000 0.860 936 E CB 0.314 29.957 29.700 -0.094 0.000 1.278 936 E HN 0.110 nan 8.360 nan 0.000 0.416 937 N N 0.623 119.433 118.700 0.182 0.000 2.216 937 N HA -0.094 4.645 4.740 -0.001 0.000 0.183 937 N C 0.019 175.680 175.510 0.252 0.000 1.017 937 N CA 0.955 54.123 53.050 0.198 0.000 0.861 937 N CB 0.321 38.881 38.487 0.121 0.000 0.986 937 N HN 0.443 nan 8.380 nan 0.000 0.428 938 E N -0.715 119.657 120.200 0.287 0.000 2.256 938 E HA 0.120 4.469 4.350 -0.001 0.000 0.268 938 E C -1.540 175.156 176.600 0.161 0.000 0.877 938 E CA -0.725 55.771 56.400 0.161 0.000 0.757 938 E CB 1.153 30.908 29.700 0.092 0.000 1.183 938 E HN 0.015 nan 8.360 nan 0.000 0.418 939 W N 8.008 129.003 121.300 -0.508 0.000 2.295 939 W HA 0.402 5.061 4.660 -0.001 0.000 0.333 939 W C -1.305 175.023 176.519 -0.318 0.000 0.990 939 W CA -1.483 55.409 57.345 -0.755 0.000 1.453 939 W CB -0.102 28.421 29.460 -1.563 0.000 1.263 939 W HN 0.463 nan 8.180 nan 0.000 0.380 940 I N 6.356 127.039 120.570 0.189 0.000 2.471 940 I HA 0.244 4.414 4.170 -0.001 0.000 0.286 940 I C 1.484 177.619 176.117 0.030 0.000 1.079 940 I CA 1.044 62.384 61.300 0.066 0.000 1.398 940 I CB 0.407 38.467 38.000 0.099 0.000 1.403 940 I HN 0.791 nan 8.210 nan 0.000 0.530 941 G N 4.314 113.035 108.800 -0.131 0.000 2.141 941 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.242 941 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.242 941 G C 0.399 175.074 174.900 -0.375 0.000 0.982 941 G CA -0.129 44.875 45.100 -0.160 0.000 0.662 941 G HN 1.004 nan 8.290 nan 0.000 0.527 942 A N -0.345 121.992 122.820 -0.806 0.000 2.540 942 A HA 0.546 4.866 4.320 -0.001 0.000 0.239 942 A C 0.600 177.788 177.584 -0.661 0.000 1.061 942 A CA 0.848 52.068 52.037 -1.362 0.000 0.758 942 A CB 0.229 18.135 19.000 -1.824 0.000 0.991 942 A HN 0.645 nan 8.150 nan 0.000 0.502 943 Q N 0.878 120.367 119.800 -0.519 0.000 2.351 943 Q HA 0.527 4.867 4.340 -0.001 0.000 0.273 943 Q C 1.122 177.020 176.000 -0.170 0.000 1.077 943 Q CA -0.245 55.411 55.803 -0.246 0.000 0.843 943 Q CB 1.894 30.553 28.738 -0.132 0.000 1.367 943 Q HN 0.786 nan 8.270 nan 0.000 0.449 944 G N 0.105 108.837 108.800 -0.112 0.000 2.539 944 G HA2 -0.060 3.899 3.960 -0.001 0.000 0.215 944 G HA3 -0.060 3.899 3.960 -0.001 0.000 0.215 944 G C 0.204 175.080 174.900 -0.040 0.000 1.141 944 G CA 0.579 45.625 45.100 -0.090 0.000 0.806 944 G HN 0.440 nan 8.290 nan 0.000 0.533 945 Q N -1.450 118.344 119.800 -0.011 0.000 2.472 945 Q HA 0.522 4.861 4.340 -0.001 0.000 0.281 945 Q C -2.360 173.665 176.000 0.042 0.000 0.997 945 Q CA -0.921 54.890 55.803 0.012 0.000 0.828 945 Q CB 2.267 30.997 28.738 -0.013 0.000 1.443 945 Q HN 0.061 nan 8.270 nan 0.000 0.390 946 F N 1.151 121.014 119.950 -0.146 0.000 2.556 946 F HA 0.647 5.174 4.527 -0.001 0.000 0.314 946 F C 0.524 176.083 175.800 -0.401 0.000 1.106 946 F CA 0.441 58.288 58.000 -0.254 0.000 0.911 946 F CB 2.063 40.921 39.000 -0.237 0.000 1.190 946 F HN 0.671 nan 8.300 nan 0.000 0.448 947 G N 3.034 110.869 108.800 -1.609 0.000 2.141 947 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.231 947 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.231 947 G C 1.028 175.269 174.900 -1.099 0.000 0.984 947 G CA 0.263 44.161 45.100 -2.004 0.000 0.660 947 G HN 1.566 nan 8.290 nan 0.000 0.525 948 G N 1.137 109.578 108.800 -0.598 0.000 2.470 948 G HA2 0.016 3.976 3.960 -0.001 0.000 0.220 948 G HA3 0.016 3.976 3.960 -0.001 0.000 0.220 948 G C 1.244 176.080 174.900 -0.106 0.000 1.121 948 G CA 1.762 46.734 45.100 -0.213 0.000 0.766 948 G HN 0.823 nan 8.290 nan 0.000 0.553 949 D N -0.674 119.584 120.400 -0.237 0.000 2.339 949 D HA 0.007 4.647 4.640 -0.001 0.000 0.217 949 D C 0.357 176.651 176.300 -0.010 0.000 1.050 949 D CA -0.436 53.513 54.000 -0.085 0.000 0.856 949 D CB -0.884 39.874 40.800 -0.070 0.000 0.922 949 D HN 0.461 nan 8.370 nan 0.000 0.518 950 H N 1.196 120.159 119.070 -0.179 0.000 2.848 950 H HA 0.219 4.775 4.556 -0.001 0.000 0.341 950 H C -1.963 173.329 175.328 -0.061 0.000 1.060 950 H CA -1.744 54.220 56.048 -0.139 0.000 1.444 950 H CB 0.546 30.175 29.762 -0.222 0.000 1.446 950 H HN 0.005 nan 8.280 nan 0.000 0.583 951 P HA -0.062 nan 4.420 nan 0.000 0.266 951 P C -0.556 176.796 177.300 0.088 0.000 1.195 951 P CA 0.106 63.256 63.100 0.083 0.000 0.768 951 P CB 0.718 32.444 31.700 0.044 0.000 0.838 952 S N 2.198 117.980 115.700 0.138 0.000 2.415 952 S HA 0.570 5.040 4.470 -0.001 0.000 0.313 952 S C 0.008 174.690 174.600 0.136 0.000 1.067 952 S CA -0.567 57.742 58.200 0.183 0.000 1.099 952 S CB -0.675 62.746 63.200 0.368 0.000 0.991 952 S HN 0.495 nan 8.310 nan 0.000 0.491 953 A N 4.484 127.380 122.820 0.126 0.000 2.332 953 A HA 0.520 4.840 4.320 -0.001 0.000 0.258 953 A C 0.542 178.170 177.584 0.072 0.000 1.087 953 A CA -0.582 51.503 52.037 0.081 0.000 0.802 953 A CB 0.241 19.291 19.000 0.083 0.000 1.042 953 A HN 0.902 nan 8.150 nan 0.000 0.489 954 R N 0.057 120.564 120.500 0.012 0.000 2.697 954 R HA -0.044 4.296 4.340 -0.001 0.000 0.265 954 R C 1.436 177.734 176.300 -0.003 0.000 1.009 954 R CA 0.971 57.059 56.100 -0.020 0.000 1.099 954 R CB 0.331 30.602 30.300 -0.049 0.000 0.965 954 R HN 0.923 nan 8.270 nan 0.000 0.428 955 E N 1.791 121.957 120.200 -0.057 0.000 2.265 955 E HA -0.233 4.117 4.350 -0.001 0.000 0.196 955 E C 0.348 176.973 176.600 0.042 0.000 0.996 955 E CA 1.552 57.901 56.400 -0.085 0.000 0.832 955 E CB -0.066 29.565 29.700 -0.116 0.000 0.756 955 E HN 0.752 nan 8.360 nan 0.000 0.491 956 D N 0.630 121.016 120.400 -0.022 0.000 2.349 956 D HA -0.014 4.625 4.640 -0.001 0.000 0.224 956 D C 0.356 176.646 176.300 -0.017 0.000 1.029 956 D CA -0.064 53.883 54.000 -0.089 0.000 0.879 956 D CB -0.034 40.659 40.800 -0.178 0.000 0.906 956 D HN 0.169 nan 8.370 nan 0.000 0.528 957 L N 0.838 122.098 121.223 0.061 0.000 2.309 957 L HA 0.504 4.844 4.340 -0.001 0.000 0.282 957 L C -1.080 175.906 176.870 0.194 0.000 1.036 957 L CA -0.464 54.430 54.840 0.091 0.000 0.806 957 L CB 1.625 43.724 42.059 0.067 0.000 1.220 957 L HN -0.214 nan 8.230 nan 0.000 0.429 958 D N 2.392 122.928 120.400 0.227 0.000 2.575 958 D HA 0.367 5.007 4.640 -0.001 0.000 0.236 958 D C -1.275 175.176 176.300 0.250 0.000 1.075 958 D CA -0.274 53.882 54.000 0.260 0.000 0.860 958 D CB 2.405 43.404 40.800 0.332 0.000 1.475 958 D HN 0.228 nan 8.370 nan 0.000 0.474 959 V N 3.476 123.516 119.914 0.210 0.000 2.267 959 V HA 0.120 4.240 4.120 -0.001 0.000 0.254 959 V C 1.308 177.528 176.094 0.211 0.000 1.144 959 V CA -0.016 62.419 62.300 0.225 0.000 0.992 959 V CB 0.392 32.335 31.823 0.201 0.000 1.199 959 V HN 0.581 nan 8.190 nan 0.000 0.493 960 S N 3.072 118.924 115.700 0.254 0.000 2.382 960 S HA -0.017 4.453 4.470 -0.001 0.000 0.228 960 S C 0.678 175.327 174.600 0.081 0.000 1.027 960 S CA 0.869 59.172 58.200 0.173 0.000 0.991 960 S CB 0.162 63.515 63.200 0.255 0.000 0.823 960 S HN 0.499 nan 8.310 nan 0.000 0.469 961 V N 1.584 121.585 119.914 0.146 0.000 2.686 961 V HA 0.523 4.643 4.120 -0.001 0.000 0.306 961 V C -0.744 175.421 176.094 0.118 0.000 1.065 961 V CA -0.551 61.815 62.300 0.108 0.000 0.894 961 V CB 1.866 33.779 31.823 0.149 0.000 1.004 961 V HN 0.373 nan 8.190 nan 0.000 0.424 962 M N 5.600 125.193 119.600 -0.011 0.000 2.197 962 M HA 0.687 5.167 4.480 -0.001 0.000 0.301 962 M C -1.043 175.093 176.300 -0.272 0.000 0.987 962 M CA -0.505 54.662 55.300 -0.223 0.000 0.921 962 M CB 1.516 33.988 32.600 -0.212 0.000 1.569 962 M HN 0.742 nan 8.290 nan 0.000 0.431 963 R N 4.099 124.367 120.500 -0.386 0.000 2.515 963 R HA 0.416 4.755 4.340 -0.001 0.000 0.291 963 R C -1.373 174.701 176.300 -0.376 0.000 1.046 963 R CA -0.676 55.248 56.100 -0.293 0.000 0.914 963 R CB 1.806 32.013 30.300 -0.155 0.000 1.191 963 R HN 0.905 nan 8.270 nan 0.000 0.435 964 R N 4.497 124.832 120.500 -0.276 0.000 2.442 964 R HA 0.127 4.466 4.340 -0.001 0.000 0.291 964 R C 0.253 176.444 176.300 -0.182 0.000 1.069 964 R CA 0.096 56.061 56.100 -0.225 0.000 1.022 964 R CB 0.609 30.832 30.300 -0.128 0.000 0.976 964 R HN 0.698 nan 8.270 nan 0.000 0.443 965 L N 2.966 124.074 121.223 -0.192 0.000 2.585 965 L HA 0.138 4.477 4.340 -0.001 0.000 0.226 965 L C 0.366 177.184 176.870 -0.087 0.000 1.113 965 L CA 0.068 54.816 54.840 -0.154 0.000 0.876 965 L CB 0.386 42.321 42.059 -0.207 0.000 1.072 965 L HN 0.705 nan 8.230 nan 0.000 0.468 966 T N -2.579 111.935 114.554 -0.067 0.000 2.885 966 T HA 0.451 4.800 4.350 -0.001 0.000 0.285 966 T C -0.225 174.466 174.700 -0.015 0.000 1.019 966 T CA -0.915 61.163 62.100 -0.036 0.000 1.010 966 T CB 2.403 71.255 68.868 -0.027 0.000 1.022 966 T HN -0.080 nan 8.240 nan 0.000 0.466 967 K N 0.910 121.307 120.400 -0.005 0.000 2.117 967 K HA 0.330 4.650 4.320 -0.001 0.000 0.240 967 K C 1.623 178.235 176.600 0.020 0.000 1.031 967 K CA -0.278 56.017 56.287 0.014 0.000 0.909 967 K CB 0.509 33.016 32.500 0.011 0.000 1.097 967 K HN 0.796 nan 8.250 nan 0.000 0.492 968 S N -0.693 115.027 115.700 0.034 0.000 2.447 968 S HA -0.135 4.334 4.470 -0.001 0.000 0.233 968 S C 1.740 176.353 174.600 0.022 0.000 1.006 968 S CA 1.337 59.556 58.200 0.031 0.000 0.957 968 S CB -0.351 62.874 63.200 0.042 0.000 0.773 968 S HN 0.618 nan 8.310 nan 0.000 0.507 969 S N 1.560 117.271 115.700 0.019 0.000 2.522 969 S HA 0.407 4.876 4.470 -0.001 0.000 0.227 969 S C 0.841 175.446 174.600 0.009 0.000 0.986 969 S CA 0.083 58.292 58.200 0.014 0.000 0.929 969 S CB -0.632 62.577 63.200 0.014 0.000 0.769 969 S HN 0.770 nan 8.310 nan 0.000 0.529 970 A N 1.979 124.803 122.820 0.006 0.000 2.451 970 A HA 0.357 4.676 4.320 -0.001 0.000 0.266 970 A C 1.268 178.856 177.584 0.006 0.000 1.119 970 A CA -0.377 51.661 52.037 0.002 0.000 0.786 970 A CB 0.183 19.180 19.000 -0.004 0.000 1.061 970 A HN 0.458 nan 8.150 nan 0.000 0.503 971 K N 1.831 122.234 120.400 0.004 0.000 2.063 971 K HA -0.101 4.219 4.320 -0.001 0.000 0.208 971 K C 0.089 176.696 176.600 0.012 0.000 1.048 971 K CA 1.717 58.009 56.287 0.008 0.000 0.928 971 K CB -0.048 32.455 32.500 0.004 0.000 0.713 971 K HN 0.658 nan 8.250 nan 0.000 0.442 972 T N 2.491 117.049 114.554 0.007 0.000 2.753 972 T HA 0.182 4.532 4.350 -0.001 0.000 0.297 972 T C -0.815 173.896 174.700 0.018 0.000 0.981 972 T CA -0.670 61.436 62.100 0.011 0.000 0.956 972 T CB 1.435 70.299 68.868 -0.007 0.000 0.936 972 T HN 0.090 nan 8.240 nan 0.000 0.463 973 Q N 2.771 122.599 119.800 0.048 0.000 2.340 973 Q HA 0.391 4.730 4.340 -0.001 0.000 0.249 973 Q C 0.080 176.129 176.000 0.081 0.000 0.957 973 Q CA 0.057 55.892 55.803 0.053 0.000 0.882 973 Q CB 1.318 30.090 28.738 0.056 0.000 1.235 973 Q HN 0.549 nan 8.270 nan 0.000 0.439 974 R N 0.425 120.940 120.500 0.025 0.000 2.575 974 R HA 0.640 4.979 4.340 -0.001 0.000 0.293 974 R C -1.068 175.183 176.300 -0.081 0.000 0.983 974 R CA -0.650 55.449 56.100 -0.003 0.000 0.887 974 R CB 1.811 32.077 30.300 -0.057 0.000 1.184 974 R HN 0.252 nan 8.270 nan 0.000 0.445 975 V N 1.494 121.356 119.914 -0.087 0.000 2.588 975 V HA 0.612 4.731 4.120 -0.001 0.000 0.304 975 V C 0.219 176.039 176.094 -0.457 0.000 1.042 975 V CA -0.855 61.264 62.300 -0.301 0.000 0.877 975 V CB 2.038 33.685 31.823 -0.292 0.000 0.996 975 V HN 0.945 nan 8.190 nan 0.000 0.425 976 G N 2.896 111.225 108.800 -0.784 0.000 2.371 976 G HA2 0.669 4.629 3.960 -0.001 0.000 0.326 976 G HA3 0.669 4.629 3.960 -0.001 0.000 0.326 976 G C -1.664 172.817 174.900 -0.698 0.000 1.127 976 G CA -0.312 44.176 45.100 -1.020 0.000 0.885 976 G HN 0.508 nan 8.290 nan 0.000 0.477 977 Y N 0.436 120.826 120.300 0.149 0.000 2.442 977 Y HA 0.462 5.012 4.550 -0.001 0.000 0.344 977 Y C -0.126 176.035 175.900 0.436 0.000 0.976 977 Y CA -0.903 57.366 58.100 0.282 0.000 1.040 977 Y CB 2.756 41.346 38.460 0.218 0.000 1.228 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 5.136 125.339 119.914 0.481 0.000 2.370 978 V HA 0.367 4.487 4.120 -0.001 0.000 0.283 978 V C -0.469 175.844 176.094 0.366 0.000 1.023 978 V CA -0.734 61.774 62.300 0.347 0.000 0.857 978 V CB 1.353 33.332 31.823 0.260 0.000 0.985 978 V HN 0.574 nan 8.190 nan 0.000 0.443 979 L N 4.782 126.208 121.223 0.338 0.000 2.313 979 L HA 0.547 4.887 4.340 -0.001 0.000 0.283 979 L C -0.782 176.279 176.870 0.319 0.000 1.013 979 L CA -0.441 54.591 54.840 0.320 0.000 0.816 979 L CB 1.566 43.813 42.059 0.314 0.000 1.236 979 L HN 0.755 nan 8.230 nan 0.000 0.419 980 H N 4.010 123.225 119.070 0.242 0.000 2.547 980 H HA 0.419 4.974 4.556 -0.001 0.000 0.342 980 H C -0.854 174.554 175.328 0.134 0.000 1.048 980 H CA -0.516 55.647 56.048 0.192 0.000 1.204 980 H CB 1.438 31.383 29.762 0.305 0.000 1.493 980 H HN 0.475 nan 8.280 nan 0.000 0.511 981 R N 4.384 124.543 120.500 -0.569 0.000 2.343 981 R HA 0.289 4.629 4.340 -0.001 0.000 0.320 981 R C -0.300 175.577 176.300 -0.705 0.000 0.956 981 R CA -0.463 55.366 56.100 -0.451 0.000 0.836 981 R CB 1.231 31.393 30.300 -0.230 0.000 1.151 981 R HN 0.766 nan 8.270 nan 0.000 0.450 982 T N 1.593 115.883 114.554 -0.441 0.000 2.793 982 T HA 0.145 4.494 4.350 -0.001 0.000 0.299 982 T C -0.447 174.079 174.700 -0.292 0.000 1.038 982 T CA -0.358 61.573 62.100 -0.282 0.000 0.948 982 T CB 0.531 69.310 68.868 -0.149 0.000 1.231 982 T HN 0.678 nan 8.240 nan 0.000 0.538 983 N N 0.599 119.152 118.700 -0.244 0.000 2.399 983 N HA 0.470 5.209 4.740 -0.001 0.000 0.284 983 N C -1.478 173.876 175.510 -0.260 0.000 1.025 983 N CA -0.485 52.367 53.050 -0.330 0.000 0.885 983 N CB 0.650 38.792 38.487 -0.575 0.000 1.339 983 N HN 0.460 nan 8.380 nan 0.000 0.487 984 L N 2.704 123.771 121.223 -0.261 0.000 2.325 984 L HA 0.543 4.883 4.340 -0.001 0.000 0.278 984 L C 0.502 177.251 176.870 -0.202 0.000 1.023 984 L CA -0.965 53.755 54.840 -0.201 0.000 0.811 984 L CB 1.629 43.579 42.059 -0.181 0.000 1.249 984 L HN 0.382 nan 8.230 nan 0.000 0.431 985 M N 2.144 121.645 119.600 -0.166 0.000 2.245 985 M HA 0.076 4.556 4.480 -0.001 0.000 0.344 985 M C -0.141 176.077 176.300 -0.137 0.000 1.170 985 M CA -0.066 55.139 55.300 -0.157 0.000 1.135 985 M CB 0.417 32.930 32.600 -0.145 0.000 1.574 985 M HN 0.459 nan 8.290 nan 0.000 0.452 986 Q N 1.962 121.686 119.800 -0.127 0.000 2.307 986 Q HA 0.185 4.524 4.340 -0.001 0.000 0.259 986 Q C -0.218 175.730 176.000 -0.087 0.000 0.998 986 Q CA 0.135 55.877 55.803 -0.101 0.000 0.923 986 Q CB 0.863 29.545 28.738 -0.093 0.000 1.196 986 Q HN 0.807 nan 8.270 nan 0.000 0.416 987 c N 0.504 119.057 118.600 -0.079 0.000 3.240 987 c HA 0.386 4.956 4.570 -0.001 0.000 0.271 987 c C 1.264 175.320 174.090 -0.057 0.000 1.534 987 c CA -0.001 56.285 56.329 -0.071 0.000 1.796 987 c CB -0.274 42.188 42.510 -0.080 0.000 2.892 987 c HN 0.996 nan 8.230 nan 0.000 0.566 988 G N 1.249 110.018 108.800 -0.052 0.000 2.159 988 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.227 988 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.227 988 G C 0.004 174.882 174.900 -0.038 0.000 0.986 988 G CA 0.281 45.356 45.100 -0.042 0.000 0.651 988 G HN 0.436 nan 8.290 nan 0.000 0.523 989 T N 3.138 117.666 114.554 -0.042 0.000 2.727 989 T HA 0.496 4.846 4.350 -0.001 0.000 0.295 989 T C -1.690 172.991 174.700 -0.033 0.000 0.915 989 T CA -0.515 61.563 62.100 -0.036 0.000 1.066 989 T CB 1.456 70.301 68.868 -0.040 0.000 0.891 989 T HN 0.201 nan 8.240 nan 0.000 0.516 990 P HA 0.120 nan 4.420 nan 0.000 0.266 990 P C 0.018 177.307 177.300 -0.018 0.000 1.195 990 P CA -0.318 62.770 63.100 -0.021 0.000 0.768 990 P CB 0.539 32.230 31.700 -0.016 0.000 0.838 991 E N 2.598 122.789 120.200 -0.015 0.000 2.289 991 E HA 0.054 4.403 4.350 -0.001 0.000 0.278 991 E C 0.050 176.656 176.600 0.010 0.000 1.032 991 E CA -0.597 55.797 56.400 -0.010 0.000 0.854 991 E CB 0.639 30.332 29.700 -0.011 0.000 1.046 991 E HN 0.414 nan 8.360 nan 0.000 0.409 992 E N 4.468 124.674 120.200 0.011 0.000 2.231 992 E HA 0.082 4.432 4.350 -0.001 0.000 0.277 992 E C -0.826 175.811 176.600 0.062 0.000 0.999 992 E CA -0.664 55.758 56.400 0.036 0.000 0.827 992 E CB 0.935 30.648 29.700 0.020 0.000 1.101 992 E HN 0.524 nan 8.360 nan 0.000 0.393 993 H N 1.594 120.657 119.070 -0.011 0.000 2.928 993 H HA 0.135 4.691 4.556 -0.001 0.000 0.338 993 H C -0.166 175.165 175.328 0.005 0.000 1.047 993 H CA 1.141 57.186 56.048 -0.006 0.000 1.435 993 H CB 0.560 30.317 29.762 -0.007 0.000 1.428 993 H HN 0.672 nan 8.280 nan 0.000 0.590 994 T N 1.342 115.703 114.554 -0.322 0.000 2.883 994 T HA 0.463 4.812 4.350 -0.001 0.000 0.284 994 T C -0.444 174.103 174.700 -0.255 0.000 1.041 994 T CA -1.240 60.756 62.100 -0.173 0.000 1.007 994 T CB 1.378 70.184 68.868 -0.103 0.000 1.220 994 T HN 0.606 nan 8.240 nan 0.000 0.552 995 Q N 0.343 120.091 119.800 -0.086 0.000 2.230 995 Q HA 0.416 4.756 4.340 -0.001 0.000 0.253 995 Q C -0.469 175.496 176.000 -0.058 0.000 0.919 995 Q CA -0.884 54.886 55.803 -0.056 0.000 0.908 995 Q CB 1.739 30.491 28.738 0.023 0.000 1.245 995 Q HN 0.534 nan 8.270 nan 0.000 0.437 996 K N 1.846 122.213 120.400 -0.055 0.000 2.451 996 K HA 0.052 4.372 4.320 -0.001 0.000 0.280 996 K C -0.955 175.626 176.600 -0.031 0.000 1.020 996 K CA -0.208 56.052 56.287 -0.045 0.000 1.008 996 K CB 0.345 32.823 32.500 -0.037 0.000 0.917 996 K HN 0.399 nan 8.250 nan 0.000 0.478 997 L N 4.824 126.027 121.223 -0.033 0.000 2.265 997 L HA 0.269 4.609 4.340 -0.001 0.000 0.289 997 L C -1.110 175.714 176.870 -0.077 0.000 1.033 997 L CA -0.057 54.760 54.840 -0.039 0.000 0.814 997 L CB 1.206 43.254 42.059 -0.020 0.000 1.203 997 L HN 0.581 nan 8.230 nan 0.000 0.423 998 D N 3.548 123.897 120.400 -0.086 0.000 2.472 998 D HA 0.162 4.801 4.640 -0.001 0.000 0.234 998 D C 1.086 177.286 176.300 -0.167 0.000 1.088 998 D CA -0.276 53.653 54.000 -0.118 0.000 0.882 998 D CB 1.242 42.014 40.800 -0.047 0.000 1.037 998 D HN 0.385 nan 8.370 nan 0.000 0.520 999 V N 1.438 121.158 119.914 -0.323 0.000 2.594 999 V HA -0.190 3.929 4.120 -0.001 0.000 0.253 999 V C 2.127 177.921 176.094 -0.500 0.000 1.069 999 V CA 1.099 63.037 62.300 -0.604 0.000 1.082 999 V CB -1.103 30.091 31.823 -1.049 0.000 0.680 999 V HN 0.615 nan 8.190 nan 0.000 0.469 1000 c N 0.554 118.992 118.600 -0.270 0.000 2.437 1000 c HA 0.005 4.575 4.570 -0.001 0.000 0.283 1000 c C 2.127 176.126 174.090 -0.152 0.000 1.424 1000 c CA 1.289 57.529 56.329 -0.147 0.000 1.782 1000 c CB -1.821 40.593 42.510 -0.159 0.000 1.833 1000 c HN 0.769 nan 8.230 nan 0.000 0.532 1001 H N -1.027 118.022 119.070 -0.035 0.000 2.542 1001 H HA 0.262 4.818 4.556 -0.001 0.000 0.283 1001 H C 1.724 177.085 175.328 0.055 0.000 1.059 1001 H CA -0.038 56.029 56.048 0.031 0.000 1.162 1001 H CB 0.058 29.821 29.762 0.001 0.000 1.539 1001 H HN 0.336 nan 8.280 nan 0.000 0.543 1002 L N -0.102 121.181 121.223 0.101 0.000 2.141 1002 L HA -0.044 4.296 4.340 -0.001 0.000 0.209 1002 L C 0.188 177.202 176.870 0.241 0.000 1.094 1002 L CA 0.951 55.876 54.840 0.142 0.000 0.763 1002 L CB 0.066 42.170 42.059 0.076 0.000 0.908 1002 L HN 0.207 nan 8.230 nan 0.000 0.437 1003 L N -0.117 121.209 121.223 0.171 0.000 2.331 1003 L HA 0.381 4.721 4.340 -0.001 0.000 0.275 1003 L C -2.069 174.856 176.870 0.092 0.000 1.022 1003 L CA -2.007 52.866 54.840 0.056 0.000 0.812 1003 L CB 1.398 43.265 42.059 -0.319 0.000 1.257 1003 L HN -0.196 nan 8.230 nan 0.000 0.435 1004 P HA 0.145 nan 4.420 nan 0.000 0.276 1004 P C -0.870 176.543 177.300 0.189 0.000 1.261 1004 P CA -0.303 62.872 63.100 0.125 0.000 0.800 1004 P CB 0.361 32.112 31.700 0.085 0.000 1.066 1005 N N -3.217 115.576 118.700 0.154 0.000 2.754 1005 N HA -0.149 4.590 4.740 -0.001 0.000 0.248 1005 N C -0.021 175.571 175.510 0.137 0.000 1.093 1005 N CA 0.098 53.229 53.050 0.134 0.000 0.699 1005 N CB -1.998 36.558 38.487 0.115 0.000 1.016 1005 N HN 0.245 nan 8.380 nan 0.000 0.552 1006 V N 0.023 119.971 119.914 0.057 0.000 2.585 1006 V HA 0.345 4.465 4.120 -0.001 0.000 0.296 1006 V C 1.222 177.218 176.094 -0.164 0.000 1.035 1006 V CA 1.193 63.358 62.300 -0.224 0.000 1.084 1006 V CB 1.145 32.733 31.823 -0.392 0.000 0.953 1006 V HN 0.447 nan 8.190 nan 0.000 0.483 1007 A N 7.044 129.744 122.820 -0.200 0.000 2.192 1007 A HA 0.477 4.797 4.320 -0.001 0.000 0.208 1007 A C 0.955 178.499 177.584 -0.067 0.000 1.220 1007 A CA 0.039 52.019 52.037 -0.094 0.000 0.900 1007 A CB 0.255 19.215 19.000 -0.068 0.000 0.937 1007 A HN 0.767 nan 8.150 nan 0.000 0.487 1008 R N -1.640 118.793 120.500 -0.111 0.000 2.634 1008 R HA 0.476 4.816 4.340 -0.001 0.000 0.263 1008 R C -2.317 173.955 176.300 -0.046 0.000 1.060 1008 R CA -0.334 55.758 56.100 -0.012 0.000 0.898 1008 R CB 1.450 31.748 30.300 -0.002 0.000 1.253 1008 R HN 0.296 nan 8.270 nan 0.000 0.461 1009 c N 2.733 121.358 118.600 0.042 0.000 2.431 1009 c HA 0.626 5.196 4.570 -0.001 0.000 0.321 1009 c C -1.180 173.000 174.090 0.149 0.000 1.202 1009 c CA -0.202 56.155 56.329 0.047 0.000 1.398 1009 c CB 1.312 43.810 42.510 -0.020 0.000 2.047 1009 c HN 0.926 nan 8.230 nan 0.000 0.465 1010 E N 2.957 123.268 120.200 0.185 0.000 2.248 1010 E HA 0.429 4.779 4.350 -0.001 0.000 0.267 1010 E C -0.942 175.827 176.600 0.281 0.000 0.877 1010 E CA -0.585 55.942 56.400 0.210 0.000 0.759 1010 E CB 1.848 31.635 29.700 0.146 0.000 1.182 1010 E HN 0.639 nan 8.360 nan 0.000 0.418 1011 R N 1.553 122.201 120.500 0.247 0.000 2.390 1011 R HA 0.306 4.646 4.340 -0.001 0.000 0.291 1011 R C -0.443 175.887 176.300 0.050 0.000 1.070 1011 R CA 0.140 56.307 56.100 0.112 0.000 1.014 1011 R CB 0.619 30.955 30.300 0.060 0.000 1.007 1011 R HN 0.686 nan 8.270 nan 0.000 0.466 1012 T N -0.293 114.265 114.554 0.006 0.000 2.907 1012 T HA 0.341 4.691 4.350 -0.001 0.000 0.290 1012 T C 0.126 174.809 174.700 -0.028 0.000 1.066 1012 T CA -0.782 61.342 62.100 0.040 0.000 1.012 1012 T CB 1.408 70.368 68.868 0.153 0.000 1.184 1012 T HN 0.622 nan 8.240 nan 0.000 0.522 1013 T N 0.204 114.745 114.554 -0.022 0.000 2.791 1013 T HA 0.177 4.526 4.350 -0.001 0.000 0.323 1013 T C 1.575 176.197 174.700 -0.130 0.000 1.082 1013 T CA -0.628 61.437 62.100 -0.058 0.000 1.084 1013 T CB -0.079 68.772 68.868 -0.029 0.000 0.992 1013 T HN 0.568 nan 8.240 nan 0.000 0.547 1014 L N 1.141 122.272 121.223 -0.155 0.000 2.362 1014 L HA -0.023 4.317 4.340 -0.001 0.000 0.219 1014 L C 2.851 179.434 176.870 -0.478 0.000 1.134 1014 L CA 1.351 56.032 54.840 -0.265 0.000 0.807 1014 L CB -0.991 40.993 42.059 -0.124 0.000 0.927 1014 L HN 0.988 nan 8.230 nan 0.000 0.447 1015 T N -4.847 109.529 114.554 -0.296 0.000 3.129 1015 T HA 0.002 4.352 4.350 -0.001 0.000 0.251 1015 T C 0.744 175.340 174.700 -0.173 0.000 1.117 1015 T CA -0.181 61.775 62.100 -0.240 0.000 1.034 1015 T CB -0.142 68.708 68.868 -0.031 0.000 0.968 1015 T HN 0.213 nan 8.240 nan 0.000 0.526 1016 F N -0.944 119.018 119.950 0.019 0.000 2.794 1016 F HA -0.187 4.340 4.527 -0.001 0.000 0.335 1016 F C 1.010 176.809 175.800 -0.001 0.000 0.653 1016 F CA -0.066 57.938 58.000 0.007 0.000 1.266 1016 F CB -2.323 36.676 39.000 -0.000 0.000 1.666 1016 F HN 0.239 nan 8.300 nan 0.000 0.314 1017 L N -0.844 120.447 121.223 0.113 0.000 2.529 1017 L HA 0.107 4.447 4.340 -0.001 0.000 0.223 1017 L C 1.049 177.940 176.870 0.034 0.000 1.113 1017 L CA 0.888 55.767 54.840 0.066 0.000 0.861 1017 L CB 0.169 42.251 42.059 0.038 0.000 1.012 1017 L HN 0.344 nan 8.230 nan 0.000 0.461 1018 Q N 0.459 120.280 119.800 0.034 0.000 2.305 1018 Q HA 0.272 4.611 4.340 -0.001 0.000 0.271 1018 Q C -1.207 174.809 176.000 0.028 0.000 1.046 1018 Q CA -0.706 55.106 55.803 0.015 0.000 0.798 1018 Q CB 1.892 30.625 28.738 -0.008 0.000 1.286 1018 Q HN 0.077 nan 8.270 nan 0.000 0.435 1019 N N 4.371 123.086 118.700 0.025 0.000 2.470 1019 N HA 0.184 4.924 4.740 -0.001 0.000 0.268 1019 N C 0.287 175.813 175.510 0.027 0.000 1.136 1019 N CA 0.229 53.301 53.050 0.036 0.000 0.961 1019 N CB 1.073 39.577 38.487 0.029 0.000 1.067 1019 N HN 0.640 nan 8.380 nan 0.000 0.468 1020 L N 0.496 121.740 121.223 0.034 0.000 2.537 1020 L HA 0.304 4.643 4.340 -0.001 0.000 0.224 1020 L C 0.599 177.495 176.870 0.044 0.000 1.065 1020 L CA 0.398 55.253 54.840 0.024 0.000 0.860 1020 L CB 0.351 42.414 42.059 0.005 0.000 1.086 1020 L HN 0.511 nan 8.230 nan 0.000 0.482 1021 E N -0.373 119.873 120.200 0.075 0.000 2.347 1021 E HA 0.129 4.479 4.350 -0.001 0.000 0.285 1021 E C -1.347 175.349 176.600 0.160 0.000 0.925 1021 E CA -0.533 55.928 56.400 0.101 0.000 0.779 1021 E CB 1.543 31.296 29.700 0.088 0.000 1.233 1021 E HN 0.096 nan 8.360 nan 0.000 0.414 1022 H N 6.140 125.234 119.070 0.041 0.000 2.652 1022 H HA 0.324 4.880 4.556 -0.001 0.000 0.298 1022 H C -0.818 174.533 175.328 0.039 0.000 1.076 1022 H CA -0.559 55.510 56.048 0.036 0.000 1.360 1022 H CB 0.658 30.432 29.762 0.020 0.000 1.421 1022 H HN 0.377 nan 8.280 nan 0.000 0.464 1023 L N 5.321 126.485 121.223 -0.099 0.000 2.276 1023 L HA 0.113 4.452 4.340 -0.001 0.000 0.286 1023 L C 0.111 176.848 176.870 -0.221 0.000 1.061 1023 L CA -0.891 53.884 54.840 -0.109 0.000 0.807 1023 L CB 1.096 43.156 42.059 0.002 0.000 1.177 1023 L HN 0.660 nan 8.230 nan 0.000 0.429 1024 D N 2.748 123.049 120.400 -0.165 0.000 2.493 1024 D HA 0.142 4.782 4.640 -0.001 0.000 0.240 1024 D C 1.196 177.448 176.300 -0.080 0.000 1.142 1024 D CA 1.249 55.167 54.000 -0.136 0.000 0.872 1024 D CB 1.123 41.875 40.800 -0.081 0.000 1.173 1024 D HN 0.833 nan 8.370 nan 0.000 0.467 1025 G N 2.904 111.666 108.800 -0.062 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 0.775 175.704 174.900 0.048 0.000 0.986 1025 G CA 0.463 45.560 45.100 -0.005 0.000 0.683 1025 G HN 0.647 nan 8.290 nan 0.000 0.527 1026 M N -2.688 116.910 119.600 -0.003 0.000 2.576 1026 M HA -0.190 4.290 4.480 -0.001 0.000 0.200 1026 M C 0.106 176.433 176.300 0.046 0.000 0.487 1026 M CA 0.907 56.204 55.300 -0.006 0.000 0.553 1026 M CB -1.813 30.758 32.600 -0.049 0.000 2.042 1026 M HN 0.225 nan 8.290 nan 0.000 0.758 1027 V N 0.748 120.676 119.914 0.024 0.000 2.398 1027 V HA 0.725 4.845 4.120 -0.001 0.000 0.286 1027 V C 0.612 176.631 176.094 -0.126 0.000 1.026 1027 V CA -0.329 61.971 62.300 0.000 0.000 0.868 1027 V CB 1.773 33.588 31.823 -0.012 0.000 0.982 1027 V HN 0.375 nan 8.190 nan 0.000 0.443 1028 A N 7.886 130.547 122.820 -0.265 0.000 2.279 1028 A HA 0.742 5.062 4.320 -0.001 0.000 0.306 1028 A C -2.438 174.863 177.584 -0.472 0.000 1.300 1028 A CA -1.436 50.209 52.037 -0.653 0.000 0.925 1028 A CB 0.054 18.376 19.000 -1.129 0.000 1.152 1028 A HN 0.633 nan 8.150 nan 0.000 0.544 1029 P HA 0.180 nan 4.420 nan 0.000 0.272 1029 P C -0.113 177.177 177.300 -0.017 0.000 1.223 1029 P CA -0.189 62.863 63.100 -0.080 0.000 0.784 1029 P CB 0.559 32.273 31.700 0.023 0.000 0.923 1030 E N -0.001 120.198 120.200 -0.002 0.000 2.408 1030 E HA 0.212 4.561 4.350 -0.001 0.000 0.259 1030 E C 0.118 176.762 176.600 0.075 0.000 1.110 1030 E CA -0.661 55.763 56.400 0.040 0.000 0.929 1030 E CB 0.440 30.142 29.700 0.004 0.000 0.971 1030 E HN 0.287 nan 8.360 nan 0.000 0.438 1031 V N -1.027 118.934 119.914 0.078 0.000 2.973 1031 V HA 0.332 4.451 4.120 -0.001 0.000 0.314 1031 V C 0.199 176.292 176.094 -0.002 0.000 1.066 1031 V CA -1.117 61.218 62.300 0.058 0.000 1.021 1031 V CB 1.230 33.093 31.823 0.067 0.000 1.076 1031 V HN 0.742 nan 8.190 nan 0.000 0.462 1032 c N 2.720 121.315 118.600 -0.009 0.000 2.580 1032 c HA 0.427 4.997 4.570 -0.001 0.000 0.371 1032 c C -2.057 171.976 174.090 -0.095 0.000 1.308 1032 c CA -0.316 55.990 56.329 -0.039 0.000 2.428 1032 c CB -0.086 42.417 42.510 -0.010 0.000 2.529 1032 c HN 0.823 nan 8.230 nan 0.000 0.657 1033 P HA 0.043 nan 4.420 nan 0.000 0.262 1033 P C 0.267 177.416 177.300 -0.253 0.000 1.182 1033 P CA 0.905 63.871 63.100 -0.224 0.000 0.761 1033 P CB 0.173 31.722 31.700 -0.250 0.000 0.795 1034 M N -1.182 118.219 119.600 -0.332 0.000 2.939 1034 M HA -0.179 4.301 4.480 -0.001 0.000 0.194 1034 M C -0.147 176.151 176.300 -0.003 0.000 0.617 1034 M CA 1.364 56.458 55.300 -0.343 0.000 0.734 1034 M CB -2.062 30.020 32.600 -0.864 0.000 2.637 1034 M HN 0.403 nan 8.290 nan 0.000 0.316 1035 E N 0.500 120.690 120.200 -0.016 0.000 2.227 1035 E HA 0.718 5.067 4.350 -0.001 0.000 0.268 1035 E C 0.102 176.766 176.600 0.105 0.000 0.990 1035 E CA -0.098 56.367 56.400 0.107 0.000 0.856 1035 E CB 1.382 31.114 29.700 0.053 0.000 1.159 1035 E HN 0.146 nan 8.360 nan 0.000 0.401 1036 T N 0.538 115.173 114.554 0.134 0.000 2.881 1036 T HA 0.701 5.050 4.350 -0.001 0.000 0.290 1036 T C -0.789 173.920 174.700 0.016 0.000 1.000 1036 T CA -0.668 61.519 62.100 0.145 0.000 0.978 1036 T CB 1.600 70.566 68.868 0.164 0.000 0.997 1036 T HN 0.507 nan 8.240 nan 0.000 0.443 1037 A N 1.936 124.767 122.820 0.017 0.000 2.469 1037 A HA 1.005 5.324 4.320 -0.001 0.000 0.299 1037 A C -0.960 176.522 177.584 -0.170 0.000 1.098 1037 A CA -0.950 51.001 52.037 -0.144 0.000 0.737 1037 A CB 1.514 20.372 19.000 -0.236 0.000 1.312 1037 A HN 1.111 nan 8.150 nan 0.000 0.414 1038 A N 0.173 122.805 122.820 -0.312 0.000 2.365 1038 A HA 0.824 5.143 4.320 -0.001 0.000 0.318 1038 A C -1.599 175.808 177.584 -0.296 0.000 1.091 1038 A CA -0.352 51.609 52.037 -0.126 0.000 0.763 1038 A CB 0.773 19.735 19.000 -0.063 0.000 1.248 1038 A HN 0.844 nan 8.150 nan 0.000 0.442 1039 Y N 0.001 120.509 120.300 0.348 0.000 2.512 1039 Y HA 0.581 5.131 4.550 -0.001 0.000 0.348 1039 Y C -0.266 175.806 175.900 0.286 0.000 0.990 1039 Y CA -0.896 57.365 58.100 0.269 0.000 1.033 1039 Y CB 2.501 41.080 38.460 0.197 0.000 1.259 1039 Y HN 0.419 nan 8.280 nan 0.000 0.461 1040 V N 2.330 122.445 119.914 0.335 0.000 2.531 1040 V HA 0.502 4.622 4.120 -0.001 0.000 0.301 1040 V C -0.675 175.503 176.094 0.140 0.000 1.034 1040 V CA -0.945 61.449 62.300 0.156 0.000 0.865 1040 V CB 1.784 33.634 31.823 0.045 0.000 0.995 1040 V HN 0.830 nan 8.190 nan 0.000 0.424 1041 S N 3.363 119.149 115.700 0.143 0.000 2.489 1041 S HA 0.724 5.194 4.470 -0.001 0.000 0.291 1041 S C -0.239 174.292 174.600 -0.115 0.000 1.151 1041 S CA -0.598 57.612 58.200 0.016 0.000 1.082 1041 S CB 1.610 64.891 63.200 0.135 0.000 1.019 1041 S HN 0.561 nan 8.310 nan 0.000 0.492 1042 S N 2.405 117.915 115.700 -0.315 0.000 2.472 1042 S HA 0.530 5.000 4.470 -0.001 0.000 0.303 1042 S C -0.911 173.369 174.600 -0.533 0.000 1.099 1042 S CA -0.765 57.280 58.200 -0.259 0.000 1.077 1042 S CB 0.500 63.623 63.200 -0.128 0.000 1.031 1042 S HN 0.784 nan 8.310 nan 0.000 0.487 1043 H N 0.867 119.925 119.070 -0.019 0.000 2.667 1043 H HA 0.315 4.871 4.556 -0.001 0.000 0.353 1043 H C -0.704 174.618 175.328 -0.010 0.000 1.072 1043 H CA -0.677 55.362 56.048 -0.015 0.000 1.214 1043 H CB 1.664 31.420 29.762 -0.010 0.000 1.600 1043 H HN 0.608 nan 8.280 nan 0.000 0.527 1044 S N 2.143 117.891 115.700 0.081 0.000 2.481 1044 S HA 0.261 4.731 4.470 -0.001 0.000 0.276 1044 S C 0.779 175.416 174.600 0.062 0.000 1.247 1044 S CA -0.755 57.476 58.200 0.052 0.000 1.053 1044 S CB 0.785 64.003 63.200 0.030 0.000 0.925 1044 S HN 0.669 nan 8.310 nan 0.000 0.491 1045 S N 0.000 115.728 115.700 0.046 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.221 58.200 0.036 0.000 1.107 1045 S CB 0.000 63.218 63.200 0.031 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517