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 3ejq_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 0.000 176.010 176.000 0.017 0.000 1.003 30 Q CA 0.000 55.811 55.803 0.013 0.000 1.022 30 Q CB 0.000 28.742 28.738 0.007 0.000 1.108 31 c N 3.432 122.039 118.600 0.010 0.000 2.527 31 c HA 0.298 4.868 4.570 -0.001 0.000 0.396 31 c C 0.401 174.505 174.090 0.023 0.000 1.289 31 c CA -0.261 56.076 56.329 0.014 0.000 2.047 31 c CB 0.195 42.699 42.510 -0.009 0.000 2.568 31 c HN 0.384 nan 8.230 nan 0.000 0.573 32 Q N 1.811 121.641 119.800 0.051 0.000 2.315 32 Q HA -0.012 4.328 4.340 -0.001 0.000 0.289 32 Q C 0.069 176.101 176.000 0.053 0.000 1.044 32 Q CA 0.593 56.442 55.803 0.076 0.000 0.920 32 Q CB 0.471 29.294 28.738 0.141 0.000 1.214 32 Q HN 0.630 nan 8.270 nan 0.000 0.392 33 D N 2.096 122.527 120.400 0.052 0.000 2.338 33 D HA 0.034 4.673 4.640 -0.001 0.000 0.255 33 D C 0.591 176.937 176.300 0.076 0.000 1.237 33 D CA -0.145 53.869 54.000 0.023 0.000 0.883 33 D CB 1.058 41.872 40.800 0.022 0.000 1.087 33 D HN 0.389 nan 8.370 nan 0.000 0.485 34 V N 2.290 122.203 119.914 -0.001 0.000 3.649 34 V HA 0.061 4.181 4.120 -0.001 0.000 0.275 34 V C 1.120 177.250 176.094 0.061 0.000 1.281 34 V CA 0.208 62.562 62.300 0.090 0.000 1.143 34 V CB 0.173 31.891 31.823 -0.176 0.000 0.892 34 V HN 0.384 nan 8.190 nan 0.000 0.441 35 V N -0.235 119.638 119.914 -0.068 0.000 3.013 35 V HA 0.114 4.234 4.120 -0.001 0.000 0.238 35 V C 2.268 178.340 176.094 -0.037 0.000 1.161 35 V CA 1.110 63.325 62.300 -0.141 0.000 1.170 35 V CB 0.078 31.767 31.823 -0.223 0.000 0.917 35 V HN 0.461 nan 8.190 nan 0.000 0.478 36 Q N -0.217 119.607 119.800 0.040 0.000 2.356 36 Q HA 0.121 4.461 4.340 -0.001 0.000 0.205 36 Q C -0.539 175.540 176.000 0.131 0.000 0.901 36 Q CA 0.294 56.139 55.803 0.069 0.000 0.938 36 Q CB 0.638 29.392 28.738 0.028 0.000 1.081 36 Q HN 0.511 nan 8.270 nan 0.000 0.517 37 D N 1.092 121.603 120.400 0.185 0.000 2.453 37 D HA 0.172 4.812 4.640 -0.001 0.000 0.238 37 D C -0.695 175.727 176.300 0.202 0.000 1.088 37 D CA -0.288 53.810 54.000 0.163 0.000 0.854 37 D CB 2.121 42.994 40.800 0.121 0.000 1.076 37 D HN -0.180 nan 8.370 nan 0.000 0.533 38 V N 4.256 124.257 119.914 0.144 0.000 2.446 38 V HA 0.134 4.254 4.120 -0.001 0.000 0.276 38 V C -1.817 174.260 176.094 -0.027 0.000 1.030 38 V CA -1.133 61.172 62.300 0.009 0.000 1.033 38 V CB 0.232 32.062 31.823 0.010 0.000 0.993 38 V HN 0.317 nan 8.190 nan 0.000 0.477 39 P HA 0.069 nan 4.420 nan 0.000 0.266 39 P C -0.418 176.855 177.300 -0.044 0.000 1.195 39 P CA -0.088 62.984 63.100 -0.047 0.000 0.768 39 P CB 0.330 31.985 31.700 -0.075 0.000 0.838 40 N N 2.626 121.315 118.700 -0.018 0.000 2.439 40 N HA 0.349 5.088 4.740 -0.001 0.000 0.249 40 N C -1.131 174.372 175.510 -0.012 0.000 1.003 40 N CA -0.487 52.554 53.050 -0.014 0.000 0.942 40 N CB 0.172 38.660 38.487 0.000 0.000 1.115 40 N HN 0.138 nan 8.380 nan 0.000 0.505 41 V N 0.489 120.389 119.914 -0.024 0.000 2.914 41 V HA 0.537 4.656 4.120 -0.001 0.000 0.314 41 V C 0.527 176.608 176.094 -0.023 0.000 1.084 41 V CA -0.757 61.532 62.300 -0.019 0.000 0.963 41 V CB 2.067 33.868 31.823 -0.036 0.000 1.025 41 V HN 0.406 nan 8.190 nan 0.000 0.432 42 D N 1.130 121.524 120.400 -0.011 0.000 2.144 42 D HA 0.013 4.653 4.640 -0.001 0.000 0.200 42 D C 0.524 176.795 176.300 -0.048 0.000 0.978 42 D CA 1.636 55.627 54.000 -0.015 0.000 0.833 42 D CB 0.436 41.243 40.800 0.012 0.000 0.961 42 D HN 0.432 nan 8.370 nan 0.000 0.470 43 V N 1.421 121.284 119.914 -0.084 0.000 2.525 43 V HA 0.216 4.336 4.120 -0.001 0.000 0.299 43 V C -0.380 175.619 176.094 -0.157 0.000 1.034 43 V CA -0.760 61.461 62.300 -0.132 0.000 0.863 43 V CB 2.419 34.119 31.823 -0.205 0.000 0.999 43 V HN -0.085 nan 8.190 nan 0.000 0.423 44 Q N 4.563 124.282 119.800 -0.136 0.000 2.327 44 Q HA 0.445 4.784 4.340 -0.001 0.000 0.270 44 Q C 0.370 176.274 176.000 -0.160 0.000 1.022 44 Q CA -0.683 55.032 55.803 -0.147 0.000 0.773 44 Q CB 1.902 30.575 28.738 -0.108 0.000 1.251 44 Q HN 0.677 nan 8.270 nan 0.000 0.457 45 M N 3.070 122.528 119.600 -0.237 0.000 2.213 45 M HA -0.146 4.334 4.480 -0.001 0.000 0.263 45 M C 1.591 177.787 176.300 -0.173 0.000 1.062 45 M CA 0.888 56.033 55.300 -0.257 0.000 1.105 45 M CB -0.755 31.558 32.600 -0.478 0.000 1.385 45 M HN 0.570 nan 8.290 nan 0.000 0.417 46 L N 0.741 121.857 121.223 -0.177 0.000 2.046 46 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 46 L C 2.499 179.363 176.870 -0.011 0.000 1.077 46 L CA 1.832 56.602 54.840 -0.116 0.000 0.747 46 L CB -0.638 41.327 42.059 -0.155 0.000 0.896 46 L HN 0.278 nan 8.230 nan 0.000 0.432 47 E N -0.445 119.735 120.200 -0.035 0.000 2.072 47 E HA -0.231 4.118 4.350 -0.001 0.000 0.191 47 E C 2.210 178.822 176.600 0.021 0.000 0.985 47 E CA 1.407 57.800 56.400 -0.011 0.000 0.801 47 E CB -0.262 29.418 29.700 -0.034 0.000 0.750 47 E HN 0.436 nan 8.360 nan 0.000 0.452 48 L N 0.517 121.752 121.223 0.020 0.000 2.012 48 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 48 L C 2.304 179.247 176.870 0.121 0.000 1.073 48 L CA 1.693 56.555 54.840 0.037 0.000 0.748 48 L CB -0.986 41.084 42.059 0.018 0.000 0.891 48 L HN 0.139 nan 8.230 nan 0.000 0.431 49 Y N -0.056 120.247 120.300 0.005 0.000 2.207 49 Y HA -0.276 4.273 4.550 -0.001 0.000 0.287 49 Y C 2.566 178.555 175.900 0.149 0.000 1.156 49 Y CA 1.840 60.026 58.100 0.143 0.000 1.182 49 Y CB -0.617 37.928 38.460 0.142 0.000 0.979 49 Y HN 0.368 nan 8.280 nan 0.000 0.521 50 D N -0.583 119.929 120.400 0.187 0.000 2.144 50 D HA -0.122 4.518 4.640 -0.001 0.000 0.200 50 D C 2.028 178.367 176.300 0.065 0.000 0.978 50 D CA 1.268 55.331 54.000 0.104 0.000 0.833 50 D CB 0.057 40.893 40.800 0.060 0.000 0.961 50 D HN 0.285 nan 8.370 nan 0.000 0.470 51 R N -0.868 119.652 120.500 0.033 0.000 2.100 51 R HA 0.152 4.491 4.340 -0.001 0.000 0.220 51 R C 1.039 177.313 176.300 -0.043 0.000 1.091 51 R CA 0.110 56.205 56.100 -0.008 0.000 0.986 51 R CB -0.070 30.212 30.300 -0.030 0.000 0.888 51 R HN 0.220 nan 8.270 nan 0.000 0.444 52 M N 1.135 120.673 119.600 -0.103 0.000 2.248 52 M HA -0.052 4.428 4.480 -0.001 0.000 0.337 52 M C 1.397 177.615 176.300 -0.136 0.000 1.121 52 M CA 0.340 55.480 55.300 -0.267 0.000 1.155 52 M CB 1.250 33.439 32.600 -0.686 0.000 1.514 52 M HN 0.110 nan 8.290 nan 0.000 0.452 53 S N 1.314 116.927 115.700 -0.145 0.000 2.503 53 S HA 0.066 4.535 4.470 -0.001 0.000 0.217 53 S C 0.656 175.351 174.600 0.157 0.000 0.999 53 S CA -0.159 58.056 58.200 0.024 0.000 0.914 53 S CB -0.163 63.034 63.200 -0.004 0.000 0.782 53 S HN 0.771 nan 8.310 nan 0.000 0.520 54 F N 0.738 120.614 119.950 -0.123 0.000 3.084 54 F HA -0.150 4.377 4.527 -0.001 0.000 0.286 54 F C 0.202 176.012 175.800 0.017 0.000 0.855 54 F CA 0.417 58.350 58.000 -0.112 0.000 1.091 54 F CB -1.911 36.995 39.000 -0.156 0.000 1.177 54 F HN 0.115 nan 8.300 nan 0.000 0.542 55 K N 1.145 121.622 120.400 0.130 0.000 2.401 55 K HA 0.140 4.460 4.320 -0.001 0.000 0.278 55 K C 0.296 177.010 176.600 0.190 0.000 1.018 55 K CA -0.067 56.303 56.287 0.137 0.000 0.981 55 K CB 0.530 33.072 32.500 0.070 0.000 0.933 55 K HN 0.096 nan 8.250 nan 0.000 0.477 56 D N 3.448 123.972 120.400 0.207 0.000 2.557 56 D HA 0.152 4.792 4.640 -0.001 0.000 0.236 56 D C -0.212 176.139 176.300 0.085 0.000 1.154 56 D CA -0.491 53.642 54.000 0.221 0.000 0.985 56 D CB -0.507 40.435 40.800 0.236 0.000 1.010 56 D HN 0.511 nan 8.370 nan 0.000 0.516 57 I N -1.122 119.485 120.570 0.061 0.000 2.488 57 I HA 0.464 4.634 4.170 -0.001 0.000 0.299 57 I C -0.053 176.057 176.117 -0.012 0.000 0.984 57 I CA -0.829 60.483 61.300 0.020 0.000 1.250 57 I CB 1.505 39.515 38.000 0.017 0.000 1.389 57 I HN -0.104 nan 8.210 nan 0.000 0.488 58 D N 4.509 124.900 120.400 -0.015 0.000 2.346 58 D HA 0.154 4.793 4.640 -0.001 0.000 0.260 58 D C 0.927 177.215 176.300 -0.021 0.000 1.252 58 D CA 0.124 54.109 54.000 -0.025 0.000 0.895 58 D CB 1.483 42.276 40.800 -0.013 0.000 1.097 58 D HN 0.837 nan 8.370 nan 0.000 0.489 59 G N 2.426 111.196 108.800 -0.049 0.000 3.088 59 G HA2 0.420 4.380 3.960 -0.001 0.000 0.212 59 G HA3 0.420 4.380 3.960 -0.001 0.000 0.212 59 G C 0.892 175.793 174.900 0.002 0.000 1.173 59 G CA 0.389 45.462 45.100 -0.045 0.000 0.779 59 G HN 0.901 nan 8.290 nan 0.000 0.540 60 G N -0.577 108.230 108.800 0.011 0.000 2.464 60 G HA2 -0.143 3.816 3.960 -0.001 0.000 0.216 60 G HA3 -0.143 3.816 3.960 -0.001 0.000 0.216 60 G C 1.216 176.139 174.900 0.038 0.000 1.186 60 G CA 0.713 45.831 45.100 0.031 0.000 1.010 60 G HN 1.105 nan 8.290 nan 0.000 0.585 61 V N -3.480 116.455 119.914 0.036 0.000 2.343 61 V HA 0.076 4.196 4.120 -0.001 0.000 0.247 61 V C 1.505 177.630 176.094 0.051 0.000 1.051 61 V CA 2.436 64.741 62.300 0.008 0.000 1.036 61 V CB -0.612 31.183 31.823 -0.047 0.000 0.654 61 V HN 1.462 nan 8.190 nan 0.000 0.451 62 W N 2.734 123.941 121.300 -0.155 0.000 2.430 62 W HA 0.419 5.079 4.660 -0.001 0.000 0.380 62 W C 1.147 177.627 176.519 -0.065 0.000 1.045 62 W CA -1.710 55.534 57.345 -0.168 0.000 1.547 62 W CB 0.125 29.448 29.460 -0.229 0.000 1.554 62 W HN 0.068 nan 8.180 nan 0.000 0.378 63 K N 2.806 123.303 120.400 0.162 0.000 2.147 63 K HA -0.175 4.144 4.320 -0.001 0.000 0.205 63 K C 0.861 177.391 176.600 -0.116 0.000 1.049 63 K CA 1.436 57.725 56.287 0.003 0.000 0.936 63 K CB 0.125 32.623 32.500 -0.004 0.000 0.722 63 K HN 0.576 nan 8.250 nan 0.000 0.446 64 Q N -0.749 118.943 119.800 -0.180 0.000 2.179 64 Q HA 0.163 4.503 4.340 -0.001 0.000 0.213 64 Q C 0.804 176.448 176.000 -0.593 0.000 0.833 64 Q CA -0.301 55.370 55.803 -0.221 0.000 0.990 64 Q CB 1.328 30.078 28.738 0.020 0.000 1.132 64 Q HN 0.230 nan 8.270 nan 0.000 0.493 65 G N 0.514 108.523 108.800 -1.318 0.000 3.392 65 G HA2 0.509 4.469 3.960 -0.001 0.000 0.185 65 G HA3 0.509 4.469 3.960 -0.001 0.000 0.185 65 G C -1.402 173.185 174.900 -0.521 0.000 1.206 65 G CA -0.336 43.744 45.100 -1.700 0.000 0.776 65 G HN 0.348 nan 8.290 nan 0.000 0.697 66 W N -1.286 119.702 121.300 -0.519 0.000 3.003 66 W HA 0.662 5.322 4.660 -0.000 0.000 0.362 66 W C -1.428 175.170 176.519 0.133 0.000 1.213 66 W CA -1.157 56.125 57.345 -0.105 0.000 1.157 66 W CB 0.657 30.075 29.460 -0.069 0.000 1.493 66 W HN 0.172 nan 8.180 nan 0.000 0.589 67 N N 2.000 120.858 118.700 0.263 0.000 2.399 67 N HA 0.225 4.965 4.740 -0.001 0.000 0.259 67 N C -0.347 175.308 175.510 0.242 0.000 1.160 67 N CA -0.014 53.143 53.050 0.179 0.000 0.946 67 N CB 0.268 38.856 38.487 0.169 0.000 1.156 67 N HN 0.393 nan 8.380 nan 0.000 0.489 68 I N 1.984 122.599 120.570 0.075 0.000 2.556 68 I HA 0.017 4.186 4.170 -0.001 0.000 0.284 68 I C 0.748 177.030 176.117 0.275 0.000 1.114 68 I CA 0.239 61.654 61.300 0.191 0.000 1.418 68 I CB 0.474 38.533 38.000 0.098 0.000 1.394 68 I HN 0.135 nan 8.210 nan 0.000 0.552 69 K N 6.107 126.705 120.400 0.331 0.000 2.259 69 K HA 0.600 4.919 4.320 -0.001 0.000 0.249 69 K C -1.292 175.476 176.600 0.281 0.000 0.942 69 K CA -0.667 55.744 56.287 0.207 0.000 0.816 69 K CB 2.131 34.713 32.500 0.137 0.000 1.155 69 K HN 0.487 nan 8.250 nan 0.000 0.428 70 Y N -1.982 118.408 120.300 0.149 0.000 2.581 70 Y HA 0.442 4.991 4.550 -0.001 0.000 0.345 70 Y C -1.076 174.893 175.900 0.115 0.000 1.036 70 Y CA -1.555 56.632 58.100 0.145 0.000 1.042 70 Y CB 1.227 39.792 38.460 0.176 0.000 1.289 70 Y HN 0.398 nan 8.280 nan 0.000 0.471 71 D N 3.088 123.634 120.400 0.242 0.000 2.339 71 D HA 0.326 4.966 4.640 -0.001 0.000 0.241 71 D C -1.918 174.539 176.300 0.261 0.000 1.183 71 D CA -2.562 51.523 54.000 0.142 0.000 0.859 71 D CB 1.611 42.467 40.800 0.094 0.000 1.067 71 D HN 0.386 nan 8.370 nan 0.000 0.484 72 P HA -0.084 nan 4.420 nan 0.000 0.218 72 P C 1.165 178.606 177.300 0.234 0.000 1.146 72 P CA 0.880 64.167 63.100 0.311 0.000 0.813 72 P CB 0.204 32.017 31.700 0.188 0.000 0.778 73 L N -0.997 120.313 121.223 0.144 0.000 2.599 73 L HA 0.060 4.400 4.340 -0.001 0.000 0.230 73 L C 2.324 179.231 176.870 0.063 0.000 1.141 73 L CA 0.434 55.335 54.840 0.103 0.000 0.877 73 L CB -0.568 41.531 42.059 0.066 0.000 1.009 73 L HN -0.020 nan 8.230 nan 0.000 0.447 74 K N 0.567 120.982 120.400 0.026 0.000 2.057 74 K HA -0.144 4.176 4.320 -0.001 0.000 0.207 74 K C -0.109 176.338 176.600 -0.254 0.000 1.049 74 K CA 1.161 57.346 56.287 -0.169 0.000 0.931 74 K CB 0.099 32.425 32.500 -0.289 0.000 0.714 74 K HN 0.077 nan 8.250 nan 0.000 0.440 75 Y N 1.021 121.440 120.300 0.198 0.000 2.342 75 Y HA 0.231 4.780 4.550 -0.000 0.000 0.334 75 Y C 0.023 176.004 175.900 0.136 0.000 1.067 75 Y CA -1.048 57.161 58.100 0.183 0.000 1.128 75 Y CB 1.312 39.837 38.460 0.108 0.000 1.200 75 Y HN 0.281 nan 8.280 nan 0.000 0.464 76 N N -0.403 118.455 118.700 0.263 0.000 3.204 76 N HA 0.570 5.310 4.740 -0.001 0.000 0.285 76 N C 0.177 175.720 175.510 0.056 0.000 1.536 76 N CA -0.448 52.685 53.050 0.137 0.000 0.832 76 N CB 0.436 38.995 38.487 0.119 0.000 1.645 76 N HN 0.433 nan 8.380 nan 0.000 0.586 77 A N -1.183 121.580 122.820 -0.096 0.000 1.978 77 A HA -0.185 4.135 4.320 -0.001 0.000 0.220 77 A C 1.056 178.490 177.584 -0.249 0.000 1.170 77 A CA 1.349 53.244 52.037 -0.236 0.000 0.636 77 A CB -1.094 17.670 19.000 -0.392 0.000 0.810 77 A HN 0.709 nan 8.150 nan 0.000 0.448 78 H N -2.929 116.199 119.070 0.097 0.000 2.553 78 H HA 0.122 4.678 4.556 -0.001 0.000 0.265 78 H C -0.220 175.213 175.328 0.176 0.000 0.964 78 H CA 0.864 56.974 56.048 0.103 0.000 1.156 78 H CB 0.101 29.913 29.762 0.082 0.000 1.411 78 H HN 0.724 nan 8.280 nan 0.000 0.558 79 H N 0.671 119.830 119.070 0.148 0.000 2.852 79 H HA 0.296 4.852 4.556 -0.000 0.000 0.274 79 H C -0.743 174.729 175.328 0.241 0.000 1.321 79 H CA -0.470 55.681 56.048 0.170 0.000 1.582 79 H CB 0.290 30.142 29.762 0.151 0.000 1.699 79 H HN -0.058 nan 8.280 nan 0.000 0.546 80 K N 2.303 122.680 120.400 -0.037 0.000 2.098 80 K HA 0.287 4.607 4.320 -0.001 0.000 0.261 80 K C -0.687 175.739 176.600 -0.291 0.000 0.987 80 K CA -1.228 55.007 56.287 -0.086 0.000 0.916 80 K CB 1.632 34.067 32.500 -0.108 0.000 1.039 80 K HN 0.229 nan 8.250 nan 0.000 0.455 81 L N 2.649 123.563 121.223 -0.516 0.000 2.315 81 L HA 0.144 4.483 4.340 -0.001 0.000 0.283 81 L C -0.840 175.757 176.870 -0.456 0.000 1.089 81 L CA 0.320 54.725 54.840 -0.724 0.000 0.833 81 L CB 0.108 41.553 42.059 -1.025 0.000 1.170 81 L HN 0.387 nan 8.230 nan 0.000 0.442 82 K N 4.547 124.708 120.400 -0.398 0.000 2.234 82 K HA 0.534 4.853 4.320 -0.001 0.000 0.277 82 K C -1.141 175.126 176.600 -0.555 0.000 1.038 82 K CA -0.570 55.443 56.287 -0.457 0.000 0.888 82 K CB 1.532 33.807 32.500 -0.374 0.000 1.091 82 K HN 0.394 nan 8.250 nan 0.000 0.467 83 V N 4.625 124.097 119.914 -0.737 0.000 2.448 83 V HA 0.377 4.496 4.120 -0.001 0.000 0.295 83 V C -0.883 174.670 176.094 -0.901 0.000 1.025 83 V CA -0.830 60.987 62.300 -0.804 0.000 0.859 83 V CB 0.655 31.824 31.823 -1.089 0.000 0.988 83 V HN 0.545 nan 8.190 nan 0.000 0.431 84 F N 3.619 123.310 119.950 -0.430 0.000 2.361 84 F HA 0.503 5.030 4.527 -0.001 0.000 0.364 84 F C 0.178 175.787 175.800 -0.318 0.000 1.117 84 F CA -0.713 57.089 58.000 -0.330 0.000 1.071 84 F CB 1.757 40.636 39.000 -0.203 0.000 1.188 84 F HN 0.193 nan 8.300 nan 0.000 0.464 85 V N 5.056 124.917 119.914 -0.087 0.000 2.385 85 V HA 0.284 4.404 4.120 -0.001 0.000 0.269 85 V C -0.169 176.018 176.094 0.155 0.000 1.043 85 V CA -0.619 61.698 62.300 0.029 0.000 0.906 85 V CB 1.200 33.111 31.823 0.148 0.000 0.995 85 V HN 0.429 nan 8.190 nan 0.000 0.467 86 V N 8.339 128.296 119.914 0.071 0.000 2.275 86 V HA 0.308 4.427 4.120 -0.001 0.000 0.272 86 V C -2.348 173.779 176.094 0.055 0.000 1.028 86 V CA -1.921 60.388 62.300 0.015 0.000 0.810 86 V CB 1.352 33.093 31.823 -0.137 0.000 1.043 86 V HN 0.721 nan 8.190 nan 0.000 0.453 87 P HA 0.311 nan 4.420 nan 0.000 0.271 87 P C -0.819 176.469 177.300 -0.020 0.000 1.216 87 P CA 0.285 63.361 63.100 -0.040 0.000 0.771 87 P CB 0.348 31.841 31.700 -0.345 0.000 0.864 88 H N -1.071 117.990 119.070 -0.015 0.000 2.990 88 H HA 0.795 5.350 4.556 -0.001 0.000 0.336 88 H C -1.472 173.961 175.328 0.176 0.000 1.306 88 H CA -1.124 54.826 56.048 -0.163 0.000 1.118 88 H CB 1.038 30.657 29.762 -0.240 0.000 1.856 88 H HN 0.195 nan 8.280 nan 0.000 0.538 89 S N 0.767 116.495 115.700 0.047 0.000 2.750 89 S HA 0.198 4.668 4.470 -0.001 0.000 0.276 89 S C -1.835 172.697 174.600 -0.114 0.000 1.165 89 S CA -0.662 57.603 58.200 0.109 0.000 1.047 89 S CB 0.080 63.527 63.200 0.411 0.000 1.056 89 S HN 0.842 nan 8.310 nan 0.000 0.481 90 H N 4.482 123.453 119.070 -0.165 0.000 2.864 90 H HA 0.417 4.972 4.556 -0.001 0.000 0.281 90 H C -0.101 174.819 175.328 -0.680 0.000 1.093 90 H CA 0.324 56.179 56.048 -0.323 0.000 1.453 90 H CB 0.199 29.798 29.762 -0.271 0.000 1.462 90 H HN 0.558 nan 8.280 nan 0.000 0.480 91 N N 5.528 123.580 118.700 -1.080 0.000 2.511 91 N HA 0.071 4.810 4.740 -0.001 0.000 0.249 91 N C -1.183 173.860 175.510 -0.779 0.000 0.971 91 N CA -0.621 51.645 53.050 -1.307 0.000 0.938 91 N CB 1.165 39.176 38.487 -0.793 0.000 1.131 91 N HN 0.655 nan 8.380 nan 0.000 0.505 92 D N 2.803 122.797 120.400 -0.676 0.000 2.317 92 D HA 0.132 4.772 4.640 -0.001 0.000 0.252 92 D C -2.095 174.261 176.300 0.094 0.000 1.174 92 D CA -1.029 52.832 54.000 -0.232 0.000 0.866 92 D CB 1.627 42.530 40.800 0.171 0.000 1.127 92 D HN 0.195 nan 8.370 nan 0.000 0.467 93 P HA 0.185 nan 4.420 nan 0.000 0.231 93 P C 0.004 177.502 177.300 0.330 0.000 1.756 93 P CA -0.008 63.109 63.100 0.029 0.000 0.990 93 P CB 0.137 31.726 31.700 -0.186 0.000 1.973 94 G N 0.202 109.364 108.800 0.603 0.000 3.069 94 G HA2 0.024 3.984 3.960 -0.001 0.000 0.686 94 G HA3 0.024 3.984 3.960 -0.001 0.000 0.686 94 G C -1.128 174.302 174.900 0.883 0.000 1.161 94 G CA -0.664 44.828 45.100 0.654 0.000 0.804 94 G HN 0.346 nan 8.290 nan 0.000 0.608 95 W N 2.551 124.195 121.300 0.574 0.000 4.491 95 W HA 0.299 4.959 4.660 -0.001 0.000 0.161 95 W C 1.031 177.724 176.519 0.289 0.000 3.471 95 W CA 0.899 58.538 57.345 0.491 0.000 1.147 95 W CB -0.765 29.062 29.460 0.612 0.000 2.109 95 W HN 0.494 nan 8.180 nan 0.000 0.361 96 I N 1.999 122.587 120.570 0.030 0.000 2.876 96 I HA 0.083 4.252 4.170 -0.001 0.000 0.264 96 I C 0.429 176.430 176.117 -0.193 0.000 1.204 96 I CA 1.204 62.349 61.300 -0.257 0.000 1.485 96 I CB -1.284 36.541 38.000 -0.291 0.000 1.103 96 I HN 0.121 nan 8.210 nan 0.000 0.446 97 Q N -0.127 119.412 119.800 -0.435 0.000 2.496 97 Q HA 0.371 4.710 4.340 -0.001 0.000 0.286 97 Q C 0.114 175.897 176.000 -0.362 0.000 1.103 97 Q CA -0.659 54.842 55.803 -0.503 0.000 0.813 97 Q CB 2.010 30.192 28.738 -0.927 0.000 1.444 97 Q HN 0.229 nan 8.270 nan 0.000 0.443 98 T N -2.173 112.274 114.554 -0.179 0.000 2.766 98 T HA 0.115 4.464 4.350 -0.001 0.000 0.295 98 T C 0.793 175.599 174.700 0.177 0.000 1.024 98 T CA -0.451 61.619 62.100 -0.050 0.000 1.018 98 T CB 0.300 69.168 68.868 -0.001 0.000 1.002 98 T HN 0.572 nan 8.240 nan 0.000 0.532 99 F N 1.173 121.200 119.950 0.128 0.000 2.063 99 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 99 F C 2.450 178.442 175.800 0.319 0.000 1.109 99 F CA 2.401 60.550 58.000 0.247 0.000 1.212 99 F CB -0.321 38.715 39.000 0.060 0.000 0.973 99 F HN 0.781 nan 8.300 nan 0.000 0.480 100 E N 0.361 120.782 120.200 0.369 0.000 2.107 100 E HA -0.165 4.185 4.350 -0.001 0.000 0.191 100 E C 2.006 178.661 176.600 0.092 0.000 0.982 100 E CA 1.675 58.232 56.400 0.262 0.000 0.809 100 E CB -0.278 29.572 29.700 0.249 0.000 0.756 100 E HN 0.610 nan 8.360 nan 0.000 0.459 101 E N -0.953 119.247 120.200 0.001 0.000 2.051 101 E HA -0.199 4.151 4.350 -0.001 0.000 0.192 101 E C 1.820 178.258 176.600 -0.270 0.000 0.991 101 E CA 1.221 57.478 56.400 -0.238 0.000 0.799 101 E CB -0.258 29.369 29.700 -0.122 0.000 0.748 101 E HN 0.342 nan 8.360 nan 0.000 0.449 102 Y N -0.615 119.653 120.300 -0.053 0.000 2.242 102 Y HA -0.228 4.321 4.550 -0.001 0.000 0.291 102 Y C 2.160 177.995 175.900 -0.108 0.000 1.137 102 Y CA 1.052 59.099 58.100 -0.088 0.000 1.181 102 Y CB -0.628 37.860 38.460 0.046 0.000 0.989 102 Y HN 0.186 nan 8.280 nan 0.000 0.527 103 Y N 0.772 121.077 120.300 0.009 0.000 2.145 103 Y HA -0.265 4.284 4.550 -0.001 0.000 0.286 103 Y C 2.259 178.114 175.900 -0.076 0.000 1.145 103 Y CA 1.797 59.855 58.100 -0.070 0.000 1.148 103 Y CB -0.290 38.125 38.460 -0.074 0.000 0.981 103 Y HN 0.028 nan 8.280 nan 0.000 0.507 104 Q N -0.602 119.076 119.800 -0.203 0.000 2.083 104 Q HA -0.150 4.189 4.340 -0.001 0.000 0.198 104 Q C 2.098 178.035 176.000 -0.106 0.000 0.969 104 Q CA 2.140 57.790 55.803 -0.254 0.000 0.838 104 Q CB -0.537 28.081 28.738 -0.199 0.000 0.900 104 Q HN 0.774 nan 8.270 nan 0.000 0.436 105 H N -0.730 118.352 119.070 0.019 0.000 2.448 105 H HA 0.052 4.607 4.556 -0.001 0.000 0.292 105 H C 0.935 176.353 175.328 0.150 0.000 1.035 105 H CA 0.716 56.813 56.048 0.082 0.000 1.349 105 H CB 0.642 30.419 29.762 0.026 0.000 1.425 105 H HN 0.188 nan 8.280 nan 0.000 0.539 106 D N -1.003 119.498 120.400 0.167 0.000 3.165 106 D HA 0.011 4.651 4.640 -0.001 0.000 0.264 106 D C 1.793 178.151 176.300 0.096 0.000 1.363 106 D CA 0.580 54.670 54.000 0.149 0.000 1.166 106 D CB -0.087 40.705 40.800 -0.014 0.000 1.291 106 D HN 0.067 nan 8.370 nan 0.000 0.390 107 T N 2.483 117.014 114.554 -0.038 0.000 2.788 107 T HA -0.147 4.203 4.350 -0.001 0.000 0.268 107 T C 1.930 176.476 174.700 -0.257 0.000 1.044 107 T CA 1.494 63.535 62.100 -0.099 0.000 1.139 107 T CB -0.082 68.572 68.868 -0.356 0.000 0.867 107 T HN 0.255 nan 8.240 nan 0.000 0.454 108 K N 0.722 120.787 120.400 -0.559 0.000 2.148 108 K HA -0.129 4.190 4.320 -0.001 0.000 0.204 108 K C 1.934 178.290 176.600 -0.405 0.000 1.050 108 K CA 1.350 57.284 56.287 -0.587 0.000 0.942 108 K CB -0.350 31.575 32.500 -0.959 0.000 0.724 108 K HN 0.398 nan 8.250 nan 0.000 0.446 109 H N 1.042 120.038 119.070 -0.124 0.000 2.395 109 H HA 0.058 4.614 4.556 -0.001 0.000 0.299 109 H C 2.284 177.611 175.328 -0.002 0.000 1.070 109 H CA 1.372 57.403 56.048 -0.029 0.000 1.356 109 H CB -0.151 29.620 29.762 0.015 0.000 1.401 109 H HN 0.186 nan 8.280 nan 0.000 0.524 110 I N 0.810 121.458 120.570 0.131 0.000 2.127 110 I HA -0.281 3.889 4.170 -0.001 0.000 0.241 110 I C 2.451 178.571 176.117 0.005 0.000 1.075 110 I CA 1.205 62.623 61.300 0.196 0.000 1.334 110 I CB -0.305 37.883 38.000 0.313 0.000 1.040 110 I HN 0.094 nan 8.210 nan 0.000 0.405 111 L N -0.347 120.660 121.223 -0.361 0.000 2.093 111 L HA -0.151 4.188 4.340 -0.001 0.000 0.208 111 L C 2.661 179.149 176.870 -0.637 0.000 1.085 111 L CA 0.966 55.334 54.840 -0.786 0.000 0.755 111 L CB -0.452 40.582 42.059 -1.708 0.000 0.904 111 L HN 0.175 nan 8.230 nan 0.000 0.435 112 S N 0.011 115.472 115.700 -0.400 0.000 2.355 112 S HA -0.120 4.349 4.470 -0.001 0.000 0.222 112 S C 1.709 176.267 174.600 -0.071 0.000 1.031 112 S CA 1.227 59.429 58.200 0.003 0.000 0.993 112 S CB -0.240 63.039 63.200 0.132 0.000 0.859 112 S HN 0.454 nan 8.310 nan 0.000 0.453 113 N N 1.764 120.410 118.700 -0.089 0.000 2.270 113 N HA 0.102 4.842 4.740 -0.001 0.000 0.181 113 N C 1.748 176.883 175.510 -0.625 0.000 1.016 113 N CA 1.008 53.928 53.050 -0.217 0.000 0.870 113 N CB -0.566 37.907 38.487 -0.024 0.000 0.979 113 N HN 0.387 nan 8.380 nan 0.000 0.431 114 A N 1.285 123.812 122.820 -0.488 0.000 1.877 114 A HA -0.112 4.207 4.320 -0.001 0.000 0.216 114 A C 2.202 179.496 177.584 -0.483 0.000 1.186 114 A CA 1.038 52.644 52.037 -0.719 0.000 0.620 114 A CB -0.791 18.063 19.000 -0.244 0.000 0.822 114 A HN 0.231 nan 8.150 nan 0.000 0.443 115 L N 0.130 121.214 121.223 -0.232 0.000 2.012 115 L HA -0.179 4.161 4.340 -0.001 0.000 0.210 115 L C 2.482 179.278 176.870 -0.124 0.000 1.073 115 L CA 2.632 57.414 54.840 -0.095 0.000 0.748 115 L CB -0.683 41.391 42.059 0.024 0.000 0.891 115 L HN 0.513 nan 8.230 nan 0.000 0.431 116 R N -1.731 118.664 120.500 -0.176 0.000 2.070 116 R HA -0.241 4.099 4.340 -0.001 0.000 0.233 116 R C 2.425 178.629 176.300 -0.160 0.000 1.137 116 R CA 1.961 57.979 56.100 -0.137 0.000 0.945 116 R CB -0.574 29.652 30.300 -0.122 0.000 0.845 116 R HN 0.564 nan 8.270 nan 0.000 0.430 117 H N 0.138 118.923 119.070 -0.475 0.000 2.357 117 H HA 0.015 4.571 4.556 -0.001 0.000 0.301 117 H C 2.085 177.190 175.328 -0.371 0.000 1.082 117 H CA 1.944 57.689 56.048 -0.505 0.000 1.342 117 H CB -0.001 29.186 29.762 -0.958 0.000 1.389 117 H HN 0.145 nan 8.280 nan 0.000 0.511 118 L N -1.000 120.039 121.223 -0.306 0.000 2.056 118 L HA -0.184 4.156 4.340 -0.001 0.000 0.207 118 L C 2.435 179.255 176.870 -0.083 0.000 1.078 118 L CA 1.612 56.357 54.840 -0.159 0.000 0.749 118 L CB -0.598 41.388 42.059 -0.121 0.000 0.901 118 L HN 0.404 nan 8.230 nan 0.000 0.433 119 H N 0.421 119.408 119.070 -0.138 0.000 2.319 119 H HA -0.219 4.336 4.556 -0.001 0.000 0.297 119 H C 1.709 176.974 175.328 -0.105 0.000 1.097 119 H CA 2.190 58.182 56.048 -0.093 0.000 1.285 119 H CB 0.054 29.769 29.762 -0.078 0.000 1.368 119 H HN 0.235 nan 8.280 nan 0.000 0.495 120 D N -0.402 119.932 120.400 -0.110 0.000 2.317 120 D HA -0.014 4.625 4.640 -0.001 0.000 0.211 120 D C -0.162 176.018 176.300 -0.200 0.000 0.966 120 D CA 0.587 54.487 54.000 -0.167 0.000 0.876 120 D CB 0.054 40.766 40.800 -0.147 0.000 0.927 120 D HN 0.413 nan 8.370 nan 0.000 0.519 121 N N 0.694 119.272 118.700 -0.202 0.000 2.746 121 N HA 0.145 4.885 4.740 -0.001 0.000 0.250 121 N C -2.210 173.262 175.510 -0.063 0.000 1.146 121 N CA -1.052 51.917 53.050 -0.134 0.000 0.828 121 N CB 2.311 40.696 38.487 -0.170 0.000 1.158 121 N HN -0.110 nan 8.380 nan 0.000 0.519 122 P HA -0.086 nan 4.420 nan 0.000 0.221 122 P C 0.862 178.178 177.300 0.028 0.000 1.145 122 P CA 1.203 64.286 63.100 -0.029 0.000 0.795 122 P CB 0.530 32.209 31.700 -0.035 0.000 0.775 123 E N -1.752 118.495 120.200 0.079 0.000 2.474 123 E HA 0.073 4.423 4.350 -0.001 0.000 0.194 123 E C 0.791 177.523 176.600 0.221 0.000 1.041 123 E CA 0.013 56.508 56.400 0.158 0.000 0.874 123 E CB -0.345 29.478 29.700 0.206 0.000 0.914 123 E HN 0.253 nan 8.360 nan 0.000 0.498 124 M N 1.726 121.391 119.600 0.108 0.000 2.243 124 M HA 0.097 4.576 4.480 -0.001 0.000 0.341 124 M C -0.306 175.985 176.300 -0.015 0.000 1.130 124 M CA 0.196 55.462 55.300 -0.057 0.000 1.162 124 M CB 0.448 33.018 32.600 -0.049 0.000 1.497 124 M HN -0.349 nan 8.290 nan 0.000 0.456 125 K N 3.196 123.556 120.400 -0.067 0.000 2.444 125 K HA 0.655 4.975 4.320 -0.001 0.000 0.252 125 K C -1.714 174.933 176.600 0.077 0.000 0.993 125 K CA -0.488 55.816 56.287 0.029 0.000 0.847 125 K CB 2.193 34.736 32.500 0.070 0.000 1.340 125 K HN 0.669 nan 8.250 nan 0.000 0.446 126 F N 1.519 121.388 119.950 -0.135 0.000 2.654 126 F HA 0.415 4.942 4.527 -0.001 0.000 0.314 126 F C -1.418 174.276 175.800 -0.177 0.000 1.116 126 F CA -1.262 56.642 58.000 -0.161 0.000 1.017 126 F CB 0.993 39.976 39.000 -0.028 0.000 1.285 126 F HN 0.456 nan 8.300 nan 0.000 0.448 127 I N 2.071 122.299 120.570 -0.569 0.000 2.525 127 I HA 0.594 4.763 4.170 -0.001 0.000 0.301 127 I C -1.646 174.038 176.117 -0.722 0.000 0.992 127 I CA -0.583 60.344 61.300 -0.622 0.000 1.162 127 I CB 2.387 39.968 38.000 -0.700 0.000 1.332 127 I HN 0.694 nan 8.210 nan 0.000 0.458 128 W N 4.714 125.613 121.300 -0.669 0.000 2.839 128 W HA 0.630 5.290 4.660 -0.001 0.000 0.334 128 W C -0.702 175.733 176.519 -0.141 0.000 1.064 128 W CA -0.558 56.528 57.345 -0.431 0.000 1.236 128 W CB 2.671 31.928 29.460 -0.339 0.000 1.405 128 W HN 0.789 nan 8.180 nan 0.000 0.478 129 A N 3.442 125.878 122.820 -0.640 0.000 1.984 129 A HA 0.155 4.475 4.320 -0.001 0.000 0.203 129 A C -0.029 177.496 177.584 -0.097 0.000 1.292 129 A CA 0.508 52.413 52.037 -0.220 0.000 0.782 129 A CB -0.002 18.934 19.000 -0.106 0.000 0.924 129 A HN 0.507 nan 8.150 nan 0.000 0.475 130 E N 1.003 121.030 120.200 -0.288 0.000 2.001 130 E HA 0.315 4.664 4.350 -0.001 0.000 0.279 130 E C 0.453 177.204 176.600 0.251 0.000 1.045 130 E CA -0.280 56.123 56.400 0.005 0.000 0.833 130 E CB 0.784 30.482 29.700 -0.004 0.000 1.077 130 E HN 0.281 nan 8.360 nan 0.000 0.397 131 I N 1.508 122.127 120.570 0.080 0.000 2.676 131 I HA -0.195 3.974 4.170 -0.001 0.000 0.259 131 I C 1.987 177.753 176.117 -0.585 0.000 1.194 131 I CA 0.906 62.182 61.300 -0.040 0.000 1.473 131 I CB -1.358 36.666 38.000 0.041 0.000 1.096 131 I HN 0.423 nan 8.210 nan 0.000 0.443 132 S N 1.216 116.268 115.700 -1.081 0.000 2.365 132 S HA -0.270 4.199 4.470 -0.001 0.000 0.225 132 S C 2.156 176.452 174.600 -0.506 0.000 1.039 132 S CA 1.303 58.493 58.200 -1.683 0.000 1.033 132 S CB -1.038 61.214 63.200 -1.581 0.000 0.887 132 S HN 0.351 nan 8.310 nan 0.000 0.447 133 Y N 0.713 121.024 120.300 0.020 0.000 2.200 133 Y HA 0.099 4.649 4.550 -0.001 0.000 0.290 133 Y C 2.244 178.202 175.900 0.096 0.000 1.137 133 Y CA 0.479 58.685 58.100 0.177 0.000 1.163 133 Y CB -0.999 37.669 38.460 0.345 0.000 0.988 133 Y HN 0.347 nan 8.280 nan 0.000 0.518 134 F N -0.041 119.986 119.950 0.129 0.000 2.134 134 F HA -0.159 4.367 4.527 -0.001 0.000 0.299 134 F C 2.347 177.976 175.800 -0.285 0.000 1.097 134 F CA 1.272 59.227 58.000 -0.075 0.000 1.264 134 F CB -0.477 38.470 39.000 -0.087 0.000 1.001 134 F HN -0.019 nan 8.300 nan 0.000 0.479 135 A N 0.262 122.737 122.820 -0.575 0.000 1.902 135 A HA -0.232 4.087 4.320 -0.001 0.000 0.217 135 A C 2.152 179.619 177.584 -0.194 0.000 1.181 135 A CA 1.832 53.361 52.037 -0.847 0.000 0.623 135 A CB -0.780 17.613 19.000 -1.011 0.000 0.818 135 A HN 0.405 nan 8.150 nan 0.000 0.443 136 R N -1.087 119.340 120.500 -0.122 0.000 2.091 136 R HA -0.141 4.198 4.340 -0.001 0.000 0.238 136 R C 1.752 177.994 176.300 -0.097 0.000 1.136 136 R CA 2.059 58.097 56.100 -0.103 0.000 0.959 136 R CB -0.812 29.362 30.300 -0.209 0.000 0.856 136 R HN 0.489 nan 8.270 nan 0.000 0.437 137 F N -0.302 119.550 119.950 -0.163 0.000 2.098 137 F HA -0.102 4.425 4.527 -0.001 0.000 0.294 137 F C 1.977 177.692 175.800 -0.142 0.000 1.107 137 F CA 1.594 59.559 58.000 -0.057 0.000 1.234 137 F CB -0.848 38.057 39.000 -0.158 0.000 1.002 137 F HN 0.124 nan 8.300 nan 0.000 0.472 138 Y N 0.314 120.371 120.300 -0.405 0.000 2.224 138 Y HA -0.268 4.282 4.550 -0.001 0.000 0.289 138 Y C 2.640 178.330 175.900 -0.351 0.000 1.146 138 Y CA 2.261 60.112 58.100 -0.416 0.000 1.182 138 Y CB -0.781 37.572 38.460 -0.179 0.000 0.983 138 Y HN 0.152 nan 8.280 nan 0.000 0.524 139 H N -0.714 118.359 119.070 0.005 0.000 2.521 139 H HA -0.073 4.482 4.556 -0.001 0.000 0.286 139 H C 0.995 176.219 175.328 -0.173 0.000 1.034 139 H CA 1.428 57.437 56.048 -0.064 0.000 1.278 139 H CB -0.081 29.701 29.762 0.034 0.000 1.386 139 H HN 0.462 nan 8.280 nan 0.000 0.567 140 D N 0.041 120.353 120.400 -0.148 0.000 2.349 140 D HA 0.072 4.712 4.640 -0.001 0.000 0.215 140 D C 0.602 176.723 176.300 -0.299 0.000 1.016 140 D CA 0.063 53.958 54.000 -0.175 0.000 0.870 140 D CB 0.334 41.063 40.800 -0.119 0.000 0.917 140 D HN 0.190 nan 8.370 nan 0.000 0.524 141 L N 0.643 121.590 121.223 -0.460 0.000 2.397 141 L HA 0.324 4.664 4.340 -0.001 0.000 0.271 141 L C 1.352 178.033 176.870 -0.314 0.000 1.148 141 L CA -0.615 53.947 54.840 -0.464 0.000 0.825 141 L CB 1.015 42.713 42.059 -0.602 0.000 1.117 141 L HN -0.021 nan 8.230 nan 0.000 0.456 142 G N 0.960 109.625 108.800 -0.225 0.000 2.636 142 G HA2 0.014 3.973 3.960 -0.001 0.000 0.246 142 G HA3 0.014 3.973 3.960 -0.001 0.000 0.246 142 G C 0.652 175.456 174.900 -0.159 0.000 1.216 142 G CA -0.280 44.726 45.100 -0.156 0.000 0.854 142 G HN 0.801 nan 8.290 nan 0.000 0.572 143 E N 0.174 120.310 120.200 -0.107 0.000 2.118 143 E HA -0.200 4.149 4.350 -0.001 0.000 0.195 143 E C 2.192 178.755 176.600 -0.062 0.000 0.992 143 E CA 1.539 57.892 56.400 -0.079 0.000 0.804 143 E CB -0.142 29.536 29.700 -0.035 0.000 0.741 143 E HN 0.599 nan 8.360 nan 0.000 0.458 144 N N 0.143 118.807 118.700 -0.060 0.000 2.043 144 N HA -0.203 4.537 4.740 -0.001 0.000 0.193 144 N C 1.429 176.903 175.510 -0.060 0.000 1.037 144 N CA 1.432 54.452 53.050 -0.050 0.000 0.851 144 N CB 0.001 38.456 38.487 -0.053 0.000 1.027 144 N HN 0.022 nan 8.380 nan 0.000 0.422 145 K N 1.300 121.646 120.400 -0.090 0.000 2.097 145 K HA -0.027 4.293 4.320 -0.001 0.000 0.205 145 K C 2.053 178.617 176.600 -0.061 0.000 1.050 145 K CA 0.676 56.909 56.287 -0.089 0.000 0.938 145 K CB -0.265 32.163 32.500 -0.121 0.000 0.718 145 K HN 0.331 nan 8.250 nan 0.000 0.442 146 K N 0.784 121.110 120.400 -0.123 0.000 2.032 146 K HA -0.088 4.231 4.320 -0.001 0.000 0.209 146 K C 2.262 178.930 176.600 0.114 0.000 1.048 146 K CA 1.174 57.413 56.287 -0.080 0.000 0.927 146 K CB -0.232 32.129 32.500 -0.232 0.000 0.712 146 K HN 0.052 nan 8.250 nan 0.000 0.441 147 L N 1.017 122.278 121.223 0.063 0.000 2.046 147 L HA -0.228 4.111 4.340 -0.001 0.000 0.208 147 L C 2.604 179.534 176.870 0.099 0.000 1.077 147 L CA 1.301 56.194 54.840 0.089 0.000 0.747 147 L CB -0.472 41.619 42.059 0.052 0.000 0.896 147 L HN 0.274 nan 8.230 nan 0.000 0.432 148 Q N -0.761 119.077 119.800 0.063 0.000 2.061 148 Q HA -0.291 4.048 4.340 -0.001 0.000 0.204 148 Q C 2.231 178.313 176.000 0.137 0.000 0.984 148 Q CA 1.925 57.770 55.803 0.070 0.000 0.846 148 Q CB -0.251 28.458 28.738 -0.049 0.000 0.902 148 Q HN 0.362 nan 8.270 nan 0.000 0.421 149 M N 1.147 120.852 119.600 0.175 0.000 2.086 149 M HA -0.168 4.311 4.480 -0.001 0.000 0.261 149 M C 1.664 178.142 176.300 0.296 0.000 1.067 149 M CA 1.768 57.237 55.300 0.283 0.000 1.116 149 M CB -0.009 32.842 32.600 0.419 0.000 1.348 149 M HN -0.076 nan 8.290 nan 0.000 0.407 150 K N -1.120 119.450 120.400 0.283 0.000 2.103 150 K HA -0.143 4.177 4.320 -0.001 0.000 0.207 150 K C 2.283 178.981 176.600 0.164 0.000 1.048 150 K CA 1.597 58.024 56.287 0.233 0.000 0.930 150 K CB -0.424 32.199 32.500 0.206 0.000 0.716 150 K HN 0.407 nan 8.250 nan 0.000 0.444 151 S N 1.452 117.239 115.700 0.145 0.000 2.368 151 S HA -0.082 4.388 4.470 -0.001 0.000 0.224 151 S C 1.932 176.591 174.600 0.098 0.000 1.029 151 S CA 1.011 59.277 58.200 0.110 0.000 0.988 151 S CB -0.216 63.050 63.200 0.110 0.000 0.838 151 S HN 0.394 nan 8.310 nan 0.000 0.462 152 I N -0.986 119.654 120.570 0.115 0.000 2.928 152 I HA 0.065 4.234 4.170 -0.001 0.000 0.266 152 I C 1.799 177.953 176.117 0.062 0.000 1.234 152 I CA 0.640 61.989 61.300 0.082 0.000 1.483 152 I CB -0.302 37.748 38.000 0.083 0.000 1.097 152 I HN 0.091 nan 8.210 nan 0.000 0.455 153 V N 1.547 121.517 119.914 0.094 0.000 2.346 153 V HA -0.178 3.942 4.120 -0.001 0.000 0.244 153 V C 2.694 178.827 176.094 0.064 0.000 1.037 153 V CA 1.941 64.286 62.300 0.075 0.000 1.029 153 V CB -0.684 31.246 31.823 0.178 0.000 0.663 153 V HN 0.414 nan 8.190 nan 0.000 0.454 154 K N 1.532 121.978 120.400 0.077 0.000 2.063 154 K HA -0.245 4.074 4.320 -0.001 0.000 0.208 154 K C 1.748 178.367 176.600 0.033 0.000 1.048 154 K CA 2.015 58.334 56.287 0.053 0.000 0.928 154 K CB -0.236 32.297 32.500 0.056 0.000 0.713 154 K HN 0.670 nan 8.250 nan 0.000 0.442 155 N N -0.651 118.068 118.700 0.032 0.000 2.461 155 N HA 0.001 4.740 4.740 -0.001 0.000 0.188 155 N C 0.828 176.343 175.510 0.009 0.000 1.134 155 N CA 1.079 54.140 53.050 0.018 0.000 0.878 155 N CB 0.419 38.917 38.487 0.018 0.000 0.972 155 N HN 0.348 nan 8.380 nan 0.000 0.456 156 G N -0.264 108.538 108.800 0.004 0.000 2.157 156 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.248 156 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.248 156 G C 0.796 175.686 174.900 -0.017 0.000 0.979 156 G CA 0.500 45.592 45.100 -0.013 0.000 0.650 156 G HN 0.462 nan 8.290 nan 0.000 0.529 157 Q N -1.306 118.491 119.800 -0.005 0.000 2.049 157 Q HA 0.202 4.541 4.340 -0.001 0.000 0.198 157 Q C 1.172 177.168 176.000 -0.006 0.000 0.971 157 Q CA 1.047 56.852 55.803 0.004 0.000 0.833 157 Q CB 0.170 28.915 28.738 0.011 0.000 0.896 157 Q HN 0.556 nan 8.270 nan 0.000 0.434 158 L N 1.268 122.469 121.223 -0.037 0.000 2.272 158 L HA 0.282 4.622 4.340 -0.001 0.000 0.289 158 L C -0.914 175.789 176.870 -0.278 0.000 1.032 158 L CA -0.020 54.749 54.840 -0.117 0.000 0.810 158 L CB 1.417 43.413 42.059 -0.106 0.000 1.205 158 L HN -0.049 nan 8.230 nan 0.000 0.422 159 E N 4.196 124.187 120.200 -0.347 0.000 2.234 159 E HA 0.357 4.707 4.350 -0.001 0.000 0.266 159 E C -1.512 174.826 176.600 -0.437 0.000 0.877 159 E CA -0.730 55.470 56.400 -0.333 0.000 0.758 159 E CB 1.040 30.626 29.700 -0.190 0.000 1.170 159 E HN 0.477 nan 8.360 nan 0.000 0.415 160 F N 3.162 123.065 119.950 -0.079 0.000 2.427 160 F HA 0.219 4.745 4.527 -0.001 0.000 0.352 160 F C 0.304 176.072 175.800 -0.054 0.000 1.100 160 F CA -0.501 57.464 58.000 -0.059 0.000 1.191 160 F CB 1.276 40.251 39.000 -0.041 0.000 1.128 160 F HN 0.191 nan 8.300 nan 0.000 0.533 161 V N 0.201 120.172 119.914 0.095 0.000 2.459 161 V HA 0.633 4.752 4.120 -0.001 0.000 0.295 161 V C 0.295 176.512 176.094 0.206 0.000 1.029 161 V CA -0.468 61.885 62.300 0.088 0.000 0.874 161 V CB 0.910 32.670 31.823 -0.105 0.000 0.985 161 V HN 0.982 nan 8.190 nan 0.000 0.438 162 T N 3.263 118.012 114.554 0.325 0.000 12.763 162 T HA -0.317 4.032 4.350 -0.001 0.000 0.419 162 T C 1.755 176.680 174.700 0.374 0.000 1.443 162 T CA 2.903 65.241 62.100 0.397 0.000 2.376 162 T CB -1.699 67.303 68.868 0.224 0.000 2.832 162 T HN 2.786 nan 8.240 nan 0.000 0.739 163 G N 1.917 110.875 108.800 0.262 0.000 2.136 163 G HA2 0.112 4.072 3.960 -0.001 0.000 0.242 163 G HA3 0.112 4.072 3.960 -0.001 0.000 0.242 163 G C 0.303 175.338 174.900 0.225 0.000 0.989 163 G CA 0.565 45.794 45.100 0.216 0.000 0.682 163 G HN 1.561 nan 8.290 nan 0.000 0.522 164 G N -1.649 107.284 108.800 0.221 0.000 2.572 164 G HA2 0.365 4.324 3.960 -0.001 0.000 0.261 164 G HA3 0.365 4.324 3.960 -0.001 0.000 0.261 164 G C 0.976 176.049 174.900 0.287 0.000 1.197 164 G CA 0.165 45.408 45.100 0.238 0.000 0.870 164 G HN 0.339 nan 8.290 nan 0.000 0.548 165 W N 0.400 121.742 121.300 0.071 0.000 2.342 165 W HA -0.037 4.622 4.660 -0.001 0.000 0.297 165 W C 0.696 177.245 176.519 0.049 0.000 1.213 165 W CA 1.892 59.265 57.345 0.046 0.000 1.251 165 W CB 0.244 29.715 29.460 0.019 0.000 1.136 165 W HN 0.402 nan 8.180 nan 0.000 0.526 166 V N -2.672 117.364 119.914 0.205 0.000 3.105 166 V HA 0.497 4.617 4.120 -0.001 0.000 0.311 166 V C -0.427 175.754 176.094 0.144 0.000 1.287 166 V CA -1.280 61.087 62.300 0.111 0.000 1.066 166 V CB 1.727 33.635 31.823 0.142 0.000 1.105 166 V HN -0.056 nan 8.190 nan 0.000 0.462 167 M N 3.955 123.668 119.600 0.189 0.000 2.103 167 M HA 0.507 4.986 4.480 -0.001 0.000 0.350 167 M C -2.680 173.771 176.300 0.252 0.000 1.100 167 M CA -1.890 53.535 55.300 0.209 0.000 1.042 167 M CB 1.325 34.068 32.600 0.237 0.000 1.368 167 M HN 0.638 nan 8.290 nan 0.000 0.404 168 P HA 0.098 nan 4.420 nan 0.000 0.274 168 P C -0.861 176.444 177.300 0.010 0.000 1.231 168 P CA -0.132 63.016 63.100 0.079 0.000 0.790 168 P CB 0.500 32.235 31.700 0.057 0.000 0.951 169 D N 0.814 121.178 120.400 -0.060 0.000 2.515 169 D HA -0.102 4.537 4.640 -0.001 0.000 0.232 169 D C 0.699 177.007 176.300 0.014 0.000 1.157 169 D CA 0.796 54.742 54.000 -0.090 0.000 0.871 169 D CB 0.417 41.172 40.800 -0.074 0.000 1.200 169 D HN 0.319 nan 8.370 nan 0.000 0.466 170 E N 1.427 121.681 120.200 0.091 0.000 2.526 170 E HA 0.193 4.543 4.350 -0.001 0.000 0.208 170 E C 0.880 177.661 176.600 0.303 0.000 0.997 170 E CA 0.039 56.562 56.400 0.206 0.000 0.961 170 E CB 0.678 30.517 29.700 0.231 0.000 1.030 170 E HN 0.472 nan 8.360 nan 0.000 0.483 171 A N 1.540 124.484 122.820 0.208 0.000 1.887 171 A HA 0.014 4.334 4.320 -0.001 0.000 0.210 171 A C 1.826 179.302 177.584 -0.180 0.000 1.221 171 A CA 0.585 52.518 52.037 -0.174 0.000 0.635 171 A CB -0.009 18.875 19.000 -0.194 0.000 0.881 171 A HN 0.035 nan 8.150 nan 0.000 0.456 172 N N 0.758 119.438 118.700 -0.034 0.000 2.392 172 N HA 0.003 4.743 4.740 -0.001 0.000 0.177 172 N C 0.455 175.955 175.510 -0.017 0.000 1.066 172 N CA 0.770 53.796 53.050 -0.040 0.000 0.895 172 N CB 0.018 38.525 38.487 0.033 0.000 0.988 172 N HN 0.506 nan 8.380 nan 0.000 0.457 173 S N 0.766 116.466 115.700 0.000 0.000 2.549 173 S HA 0.039 4.509 4.470 -0.001 0.000 0.279 173 S C 0.019 174.635 174.600 0.027 0.000 1.321 173 S CA -0.599 57.612 58.200 0.019 0.000 1.054 173 S CB 1.147 64.361 63.200 0.023 0.000 0.899 173 S HN 0.200 nan 8.310 nan 0.000 0.497 174 H N 3.571 122.620 119.070 -0.035 0.000 2.683 174 H HA 0.031 4.587 4.556 -0.001 0.000 0.339 174 H C 1.289 176.589 175.328 -0.047 0.000 1.081 174 H CA -0.180 55.832 56.048 -0.060 0.000 1.432 174 H CB 0.501 30.179 29.762 -0.140 0.000 1.462 174 H HN 1.031 nan 8.280 nan 0.000 0.557 175 W N 5.857 127.078 121.300 -0.132 0.000 2.325 175 W HA -0.196 4.464 4.660 -0.001 0.000 0.299 175 W C 1.104 177.698 176.519 0.124 0.000 1.215 175 W CA 0.491 57.828 57.345 -0.013 0.000 1.244 175 W CB -0.487 28.908 29.460 -0.108 0.000 1.140 175 W HN 0.534 nan 8.180 nan 0.000 0.523 176 R N 0.783 120.898 120.500 -0.643 0.000 2.096 176 R HA -0.139 4.200 4.340 -0.001 0.000 0.235 176 R C 2.013 178.156 176.300 -0.263 0.000 1.127 176 R CA 1.931 57.563 56.100 -0.780 0.000 0.968 176 R CB -0.422 29.366 30.300 -0.854 0.000 0.861 176 R HN 0.160 nan 8.270 nan 0.000 0.440 177 N N -0.244 118.383 118.700 -0.121 0.000 2.376 177 N HA -0.053 4.687 4.740 -0.001 0.000 0.177 177 N C 1.722 177.237 175.510 0.008 0.000 1.024 177 N CA 0.693 53.712 53.050 -0.051 0.000 0.893 177 N CB -0.000 38.474 38.487 -0.022 0.000 0.980 177 N HN -0.005 nan 8.380 nan 0.000 0.439 178 V N 1.437 121.380 119.914 0.048 0.000 2.295 178 V HA -0.179 3.941 4.120 -0.001 0.000 0.246 178 V C 2.331 178.473 176.094 0.079 0.000 1.049 178 V CA 1.110 63.457 62.300 0.078 0.000 1.024 178 V CB -0.505 31.384 31.823 0.110 0.000 0.648 178 V HN 0.195 nan 8.190 nan 0.000 0.447 179 L N -0.351 120.930 121.223 0.098 0.000 2.056 179 L HA -0.106 4.233 4.340 -0.001 0.000 0.207 179 L C 2.174 179.058 176.870 0.024 0.000 1.078 179 L CA 1.755 56.645 54.840 0.083 0.000 0.749 179 L CB -0.734 41.409 42.059 0.140 0.000 0.901 179 L HN 0.271 nan 8.230 nan 0.000 0.433 180 L N -0.065 121.151 121.223 -0.012 0.000 1.989 180 L HA -0.263 4.076 4.340 -0.001 0.000 0.211 180 L C 2.605 179.466 176.870 -0.016 0.000 1.071 180 L CA 2.423 57.243 54.840 -0.033 0.000 0.749 180 L CB -0.803 41.218 42.059 -0.064 0.000 0.890 180 L HN 0.686 nan 8.230 nan 0.000 0.431 181 Q N -1.166 118.645 119.800 0.020 0.000 2.172 181 Q HA -0.182 4.158 4.340 -0.001 0.000 0.200 181 Q C 2.019 178.101 176.000 0.136 0.000 0.964 181 Q CA 1.950 57.798 55.803 0.074 0.000 0.855 181 Q CB -1.135 27.682 28.738 0.132 0.000 0.918 181 Q HN 0.461 nan 8.270 nan 0.000 0.444 182 L N 0.852 122.141 121.223 0.110 0.000 2.046 182 L HA -0.100 4.239 4.340 -0.001 0.000 0.208 182 L C 1.921 178.870 176.870 0.131 0.000 1.077 182 L CA 2.439 57.357 54.840 0.130 0.000 0.747 182 L CB -0.985 41.130 42.059 0.093 0.000 0.896 182 L HN 0.333 nan 8.230 nan 0.000 0.432 183 T N -1.024 113.576 114.554 0.077 0.000 2.821 183 T HA -0.177 4.173 4.350 -0.001 0.000 0.267 183 T C 1.721 176.472 174.700 0.084 0.000 1.046 183 T CA 1.386 63.524 62.100 0.064 0.000 1.139 183 T CB -0.168 68.709 68.868 0.015 0.000 0.871 183 T HN 0.321 nan 8.240 nan 0.000 0.454 184 E N 1.038 121.262 120.200 0.039 0.000 2.051 184 E HA -0.052 4.298 4.350 -0.001 0.000 0.192 184 E C 2.342 179.063 176.600 0.201 0.000 0.991 184 E CA 1.574 57.952 56.400 -0.036 0.000 0.799 184 E CB -0.867 28.620 29.700 -0.354 0.000 0.748 184 E HN 0.451 nan 8.360 nan 0.000 0.449 185 G N -0.167 108.848 108.800 0.359 0.000 2.402 185 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.216 185 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.216 185 G C 1.498 176.613 174.900 0.358 0.000 1.162 185 G CA 0.643 46.039 45.100 0.495 0.000 0.777 185 G HN 0.257 nan 8.290 nan 0.000 0.539 186 Q N -0.163 119.785 119.800 0.246 0.000 2.172 186 Q HA -0.056 4.284 4.340 -0.001 0.000 0.200 186 Q C 2.808 178.902 176.000 0.156 0.000 0.964 186 Q CA 1.423 57.331 55.803 0.175 0.000 0.855 186 Q CB -0.196 28.627 28.738 0.143 0.000 0.918 186 Q HN 0.411 nan 8.270 nan 0.000 0.444 187 T N 0.180 114.838 114.554 0.173 0.000 2.746 187 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 187 T C 1.092 175.890 174.700 0.163 0.000 1.039 187 T CA 1.080 63.260 62.100 0.132 0.000 1.142 187 T CB -0.375 68.565 68.868 0.121 0.000 0.866 187 T HN 0.465 nan 8.240 nan 0.000 0.444 188 W N 1.566 122.958 121.300 0.154 0.000 2.355 188 W HA -0.048 4.611 4.660 -0.001 0.000 0.309 188 W C 1.822 178.445 176.519 0.174 0.000 1.206 188 W CA 0.936 58.448 57.345 0.278 0.000 1.284 188 W CB -0.446 29.249 29.460 0.392 0.000 1.145 188 W HN 0.143 nan 8.180 nan 0.000 0.502 189 L N 0.580 122.011 121.223 0.346 0.000 2.046 189 L HA -0.245 4.094 4.340 -0.001 0.000 0.208 189 L C 2.588 179.390 176.870 -0.113 0.000 1.077 189 L CA 1.891 56.764 54.840 0.055 0.000 0.747 189 L CB -0.899 41.130 42.059 -0.049 0.000 0.896 189 L HN -0.010 nan 8.230 nan 0.000 0.432 190 K N -0.038 120.313 120.400 -0.081 0.000 2.057 190 K HA -0.249 4.070 4.320 -0.001 0.000 0.206 190 K C 2.188 178.650 176.600 -0.231 0.000 1.050 190 K CA 1.464 57.680 56.287 -0.119 0.000 0.935 190 K CB -0.012 32.444 32.500 -0.073 0.000 0.715 190 K HN 0.246 nan 8.250 nan 0.000 0.439 191 Q N -0.811 118.776 119.800 -0.355 0.000 2.046 191 Q HA -0.142 4.198 4.340 -0.001 0.000 0.200 191 Q C 1.419 176.919 176.000 -0.833 0.000 0.975 191 Q CA 1.724 57.149 55.803 -0.630 0.000 0.836 191 Q CB 0.047 28.279 28.738 -0.843 0.000 0.896 191 Q HN 0.315 nan 8.270 nan 0.000 0.428 192 F N -1.475 118.099 119.950 -0.626 0.000 2.622 192 F HA 0.118 4.644 4.527 -0.001 0.000 0.288 192 F C 1.582 177.090 175.800 -0.487 0.000 1.120 192 F CA 0.275 57.837 58.000 -0.731 0.000 1.423 192 F CB 0.425 38.502 39.000 -1.539 0.000 1.127 192 F HN 0.109 nan 8.300 nan 0.000 0.588 193 M N -1.042 118.411 119.600 -0.245 0.000 2.308 193 M HA 0.232 4.711 4.480 -0.001 0.000 0.269 193 M C 0.329 176.612 176.300 -0.029 0.000 1.040 193 M CA 0.097 55.361 55.300 -0.061 0.000 1.024 193 M CB -1.149 31.446 32.600 -0.008 0.000 1.465 193 M HN 0.080 nan 8.290 nan 0.000 0.517 194 N N 1.912 120.559 118.700 -0.089 0.000 2.727 194 N HA -0.133 4.606 4.740 -0.001 0.000 0.249 194 N C -0.933 174.560 175.510 -0.028 0.000 1.048 194 N CA 0.759 53.772 53.050 -0.062 0.000 0.714 194 N CB -0.898 37.565 38.487 -0.040 0.000 0.959 194 N HN 0.374 nan 8.380 nan 0.000 0.544 195 V N -3.945 115.954 119.914 -0.025 0.000 3.007 195 V HA 0.869 4.989 4.120 -0.001 0.000 0.311 195 V C 0.065 176.144 176.094 -0.025 0.000 1.120 195 V CA -0.500 61.799 62.300 -0.002 0.000 0.980 195 V CB 2.349 34.215 31.823 0.071 0.000 1.033 195 V HN 0.051 nan 8.190 nan 0.000 0.429 196 T N 3.959 118.487 114.554 -0.043 0.000 2.892 196 T HA 0.572 4.921 4.350 -0.001 0.000 0.311 196 T C -2.733 171.882 174.700 -0.142 0.000 1.033 196 T CA -0.795 61.260 62.100 -0.076 0.000 0.991 196 T CB 1.295 70.108 68.868 -0.091 0.000 0.981 196 T HN 0.768 nan 8.240 nan 0.000 0.457 197 P HA 0.159 nan 4.420 nan 0.000 0.266 197 P C 0.846 177.747 177.300 -0.665 0.000 1.195 197 P CA -0.144 62.832 63.100 -0.207 0.000 0.768 197 P CB 0.513 32.210 31.700 -0.005 0.000 0.838 198 T N -1.603 112.625 114.554 -0.544 0.000 3.040 198 T HA 0.534 4.884 4.350 -0.001 0.000 0.266 198 T C 0.362 174.894 174.700 -0.279 0.000 1.005 198 T CA -0.277 61.393 62.100 -0.717 0.000 0.906 198 T CB 0.149 68.805 68.868 -0.352 0.000 1.082 198 T HN 0.413 nan 8.240 nan 0.000 0.531 199 A N 0.866 123.673 122.820 -0.021 0.000 2.343 199 A HA 0.800 5.120 4.320 -0.001 0.000 0.316 199 A C -0.152 177.692 177.584 0.435 0.000 1.104 199 A CA -0.697 51.469 52.037 0.215 0.000 0.768 199 A CB 1.800 20.940 19.000 0.233 0.000 1.213 199 A HN 0.262 nan 8.150 nan 0.000 0.456 200 S N 2.104 118.043 115.700 0.399 0.000 2.549 200 S HA 0.693 5.163 4.470 -0.001 0.000 0.297 200 S C -1.151 173.632 174.600 0.305 0.000 1.115 200 S CA -0.438 57.938 58.200 0.293 0.000 1.059 200 S CB 0.795 63.989 63.200 -0.009 0.000 1.046 200 S HN 0.825 nan 8.310 nan 0.000 0.506 201 W N 4.433 125.743 121.300 0.016 0.000 2.587 201 W HA 0.631 5.290 4.660 -0.001 0.000 0.324 201 W C -1.566 174.898 176.519 -0.092 0.000 1.008 201 W CA -0.822 56.488 57.345 -0.058 0.000 1.265 201 W CB 1.140 30.540 29.460 -0.100 0.000 1.328 201 W HN 0.787 nan 8.180 nan 0.000 0.432 202 A N 7.897 130.554 122.820 -0.272 0.000 2.763 202 A HA 0.305 4.625 4.320 -0.001 0.000 0.325 202 A C 0.253 177.580 177.584 -0.429 0.000 1.209 202 A CA -0.487 51.397 52.037 -0.255 0.000 0.764 202 A CB -0.269 18.704 19.000 -0.045 0.000 1.120 202 A HN 0.709 nan 8.150 nan 0.000 0.463 203 I N -2.513 117.624 120.570 -0.723 0.000 3.603 203 I HA 0.281 4.451 4.170 -0.001 0.000 0.297 203 I C 0.834 176.614 176.117 -0.562 0.000 1.269 203 I CA 0.848 61.678 61.300 -0.783 0.000 1.361 203 I CB 0.417 37.684 38.000 -1.222 0.000 1.063 203 I HN 0.348 nan 8.210 nan 0.000 0.448 204 D N 0.415 120.440 120.400 -0.625 0.000 2.489 204 D HA 0.242 4.882 4.640 -0.001 0.000 0.231 204 D C -2.178 173.716 176.300 -0.677 0.000 1.114 204 D CA -0.656 52.978 54.000 -0.610 0.000 0.842 204 D CB 0.095 40.437 40.800 -0.764 0.000 1.133 204 D HN 0.180 nan 8.370 nan 0.000 0.506 205 P HA 0.054 nan 4.420 nan 0.000 0.268 205 P C -0.541 176.319 177.300 -0.733 0.000 1.208 205 P CA 0.024 62.614 63.100 -0.850 0.000 0.777 205 P CB 0.188 31.546 31.700 -0.571 0.000 0.875 206 F N 1.776 121.474 119.950 -0.419 0.000 2.541 206 F HA 0.562 5.088 4.527 -0.001 0.000 0.351 206 F C 1.403 177.116 175.800 -0.144 0.000 1.209 206 F CA -0.740 56.961 58.000 -0.498 0.000 1.277 206 F CB -1.110 37.739 39.000 -0.252 0.000 1.632 206 F HN 0.517 nan 8.300 nan 0.000 0.619 207 G N 1.184 109.703 108.800 -0.468 0.000 2.629 207 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.686 207 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.686 207 G C -1.499 173.013 174.900 -0.647 0.000 1.232 207 G CA -1.174 43.742 45.100 -0.306 0.000 0.803 207 G HN 0.618 nan 8.290 nan 0.000 0.638 208 H N -0.522 118.231 119.070 -0.527 0.000 2.717 208 H HA 0.750 5.305 4.556 -0.001 0.000 0.366 208 H C -0.356 174.856 175.328 -0.194 0.000 1.132 208 H CA 0.019 55.950 56.048 -0.194 0.000 1.180 208 H CB 2.063 31.872 29.762 0.078 0.000 1.678 208 H HN 0.664 nan 8.280 nan 0.000 0.537 209 S N 2.310 118.153 115.700 0.238 0.000 2.501 209 S HA 0.253 4.723 4.470 -0.001 0.000 0.301 209 S C -1.788 172.828 174.600 0.028 0.000 1.096 209 S CA -1.788 56.560 58.200 0.247 0.000 1.063 209 S CB 1.256 64.643 63.200 0.312 0.000 1.042 209 S HN 0.442 nan 8.310 nan 0.000 0.494 210 P HA 0.018 nan 4.420 nan 0.000 0.234 210 P C 1.084 178.125 177.300 -0.431 0.000 1.167 210 P CA 0.721 63.409 63.100 -0.686 0.000 0.763 210 P CB -0.269 31.184 31.700 -0.412 0.000 0.835 211 T N -0.253 114.187 114.554 -0.190 0.000 2.881 211 T HA -0.095 4.255 4.350 -0.001 0.000 0.270 211 T C 1.800 176.456 174.700 -0.072 0.000 1.068 211 T CA 1.183 63.219 62.100 -0.106 0.000 1.131 211 T CB -0.387 68.461 68.868 -0.034 0.000 0.871 211 T HN -0.004 nan 8.240 nan 0.000 0.479 212 M N 0.915 120.428 119.600 -0.145 0.000 2.064 212 M HA 0.008 4.487 4.480 -0.001 0.000 0.260 212 M C -0.643 175.518 176.300 -0.231 0.000 1.073 212 M CA 1.199 56.410 55.300 -0.149 0.000 1.124 212 M CB -2.508 30.026 32.600 -0.110 0.000 1.326 212 M HN 0.123 nan 8.290 nan 0.000 0.410 213 P HA -0.196 nan 4.420 nan 0.000 0.218 213 P C 1.677 178.850 177.300 -0.212 0.000 1.148 213 P CA 1.409 64.315 63.100 -0.322 0.000 0.822 213 P CB -0.446 30.967 31.700 -0.478 0.000 0.784 214 Y N 1.080 121.193 120.300 -0.311 0.000 2.097 214 Y HA -0.215 4.334 4.550 -0.001 0.000 0.282 214 Y C 2.395 178.210 175.900 -0.142 0.000 1.152 214 Y CA 1.726 59.705 58.100 -0.202 0.000 1.136 214 Y CB -0.986 37.369 38.460 -0.175 0.000 0.975 214 Y HN -0.231 nan 8.280 nan 0.000 0.498 215 I N -0.439 120.125 120.570 -0.010 0.000 2.252 215 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 215 I C 2.273 178.310 176.117 -0.134 0.000 1.102 215 I CA 1.213 62.479 61.300 -0.057 0.000 1.385 215 I CB -0.433 37.603 38.000 0.061 0.000 1.064 215 I HN 0.261 nan 8.210 nan 0.000 0.414 216 L N 0.111 121.209 121.223 -0.209 0.000 2.046 216 L HA -0.224 4.116 4.340 -0.001 0.000 0.208 216 L C 2.687 179.539 176.870 -0.031 0.000 1.077 216 L CA 1.206 55.864 54.840 -0.304 0.000 0.747 216 L CB -0.706 40.971 42.059 -0.636 0.000 0.896 216 L HN 0.349 nan 8.230 nan 0.000 0.432 217 Q N 1.097 120.841 119.800 -0.093 0.000 2.224 217 Q HA -0.184 4.155 4.340 -0.001 0.000 0.203 217 Q C 1.700 177.655 176.000 -0.076 0.000 0.970 217 Q CA 1.425 57.195 55.803 -0.056 0.000 0.865 217 Q CB 0.143 28.819 28.738 -0.102 0.000 0.922 217 Q HN 0.464 nan 8.270 nan 0.000 0.445 218 K N -0.438 119.874 120.400 -0.147 0.000 2.444 218 K HA 0.102 4.421 4.320 -0.001 0.000 0.193 218 K C 0.635 177.192 176.600 -0.071 0.000 1.024 218 K CA 0.156 56.351 56.287 -0.153 0.000 1.077 218 K CB 0.494 32.827 32.500 -0.278 0.000 0.833 218 K HN -0.077 nan 8.250 nan 0.000 0.517 219 S N -0.214 115.499 115.700 0.022 0.000 2.741 219 S HA 0.205 4.674 4.470 -0.001 0.000 0.247 219 S C 0.708 175.399 174.600 0.152 0.000 1.050 219 S CA 0.076 58.335 58.200 0.098 0.000 1.025 219 S CB 1.303 64.606 63.200 0.171 0.000 0.897 219 S HN 0.515 nan 8.310 nan 0.000 0.508 220 G N 1.215 110.057 108.800 0.071 0.000 2.179 220 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.260 220 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.260 220 G C -0.011 174.857 174.900 -0.052 0.000 0.977 220 G CA -0.304 44.784 45.100 -0.020 0.000 0.641 220 G HN 0.448 nan 8.290 nan 0.000 0.533 221 F N 0.342 120.247 119.950 -0.075 0.000 2.450 221 F HA 0.548 5.074 4.527 -0.001 0.000 0.339 221 F C 1.682 177.419 175.800 -0.106 0.000 1.146 221 F CA 0.368 58.319 58.000 -0.082 0.000 1.267 221 F CB 1.003 39.958 39.000 -0.075 0.000 1.178 221 F HN -0.068 nan 8.300 nan 0.000 0.585 222 K N 0.411 120.826 120.400 0.025 0.000 2.464 222 K HA 0.230 4.550 4.320 -0.001 0.000 0.206 222 K C -0.420 176.110 176.600 -0.116 0.000 1.186 222 K CA 0.056 56.296 56.287 -0.078 0.000 0.990 222 K CB 0.504 32.910 32.500 -0.157 0.000 1.003 222 K HN 0.495 nan 8.250 nan 0.000 0.562 223 N N 0.907 119.523 118.700 -0.140 0.000 2.484 223 N HA 0.358 5.098 4.740 -0.001 0.000 0.269 223 N C -1.315 174.029 175.510 -0.275 0.000 1.237 223 N CA -0.475 52.325 53.050 -0.417 0.000 0.838 223 N CB 2.301 40.003 38.487 -1.309 0.000 1.593 223 N HN -0.046 nan 8.380 nan 0.000 0.485 224 M N -0.310 119.145 119.600 -0.242 0.000 2.575 224 M HA 0.652 5.131 4.480 -0.001 0.000 0.284 224 M C -1.934 174.421 176.300 0.091 0.000 1.253 224 M CA -0.951 54.329 55.300 -0.033 0.000 0.861 224 M CB 2.965 35.538 32.600 -0.045 0.000 1.733 224 M HN 0.474 nan 8.290 nan 0.000 0.462 225 L N 3.548 124.843 121.223 0.119 0.000 2.408 225 L HA 0.862 5.201 4.340 -0.001 0.000 0.268 225 L C -1.500 175.250 176.870 -0.200 0.000 0.986 225 L CA -0.720 54.157 54.840 0.062 0.000 0.820 225 L CB 2.013 44.160 42.059 0.146 0.000 1.303 225 L HN 0.953 nan 8.230 nan 0.000 0.411 226 I N 0.965 121.331 120.570 -0.339 0.000 3.042 226 I HA 0.621 4.790 4.170 -0.001 0.000 0.310 226 I C -0.681 175.145 176.117 -0.485 0.000 1.117 226 I CA -0.582 60.334 61.300 -0.641 0.000 1.003 226 I CB 2.245 39.568 38.000 -1.128 0.000 1.228 226 I HN 0.748 nan 8.210 nan 0.000 0.443 227 Q N 1.984 121.567 119.800 -0.362 0.000 2.563 227 Q HA 0.330 4.670 4.340 -0.001 0.000 0.236 227 Q C 0.031 175.935 176.000 -0.160 0.000 0.792 227 Q CA 0.401 56.062 55.803 -0.235 0.000 0.960 227 Q CB 0.604 29.192 28.738 -0.251 0.000 1.304 227 Q HN 0.655 nan 8.270 nan 0.000 0.566 228 R N 2.086 122.515 120.500 -0.118 0.000 2.608 228 R HA 0.329 4.669 4.340 -0.001 0.000 0.277 228 R C -0.681 175.381 176.300 -0.397 0.000 1.341 228 R CA 0.539 56.322 56.100 -0.528 0.000 1.199 228 R CB 0.230 29.851 30.300 -1.132 0.000 1.156 228 R HN 0.389 nan 8.270 nan 0.000 0.558 229 T N -2.419 112.124 114.554 -0.017 0.000 2.908 229 T HA 0.129 4.478 4.350 -0.001 0.000 0.290 229 T C 0.047 175.004 174.700 0.429 0.000 1.034 229 T CA -0.883 61.328 62.100 0.184 0.000 1.010 229 T CB 1.759 70.570 68.868 -0.095 0.000 1.068 229 T HN 0.424 nan 8.240 nan 0.000 0.481 230 H N 2.158 121.446 119.070 0.363 0.000 3.140 230 H HA -0.071 4.485 4.556 -0.001 0.000 0.316 230 H C 1.082 176.470 175.328 0.101 0.000 0.986 230 H CA 0.635 56.790 56.048 0.178 0.000 1.397 230 H CB 0.308 30.206 29.762 0.227 0.000 1.377 230 H HN 0.938 nan 8.280 nan 0.000 0.585 231 Y N 2.418 122.812 120.300 0.156 0.000 2.241 231 Y HA -0.187 4.362 4.550 -0.001 0.000 0.286 231 Y C 2.144 178.215 175.900 0.286 0.000 1.166 231 Y CA 1.034 59.263 58.100 0.214 0.000 1.203 231 Y CB -0.633 37.888 38.460 0.102 0.000 0.977 231 Y HN 0.292 nan 8.280 nan 0.000 0.529 232 S N 0.253 116.011 115.700 0.098 0.000 2.406 232 S HA -0.099 4.371 4.470 -0.001 0.000 0.228 232 S C 2.069 176.595 174.600 -0.124 0.000 1.020 232 S CA 1.065 59.199 58.200 -0.110 0.000 0.965 232 S CB -0.497 62.401 63.200 -0.504 0.000 0.798 232 S HN 0.372 nan 8.310 nan 0.000 0.488 233 V N 2.095 122.004 119.914 -0.007 0.000 2.307 233 V HA -0.174 3.945 4.120 -0.001 0.000 0.245 233 V C 2.225 178.361 176.094 0.070 0.000 1.045 233 V CA 1.590 63.915 62.300 0.042 0.000 1.024 233 V CB -0.547 31.404 31.823 0.213 0.000 0.651 233 V HN 0.407 nan 8.190 nan 0.000 0.449 234 K N 0.201 120.682 120.400 0.136 0.000 2.044 234 K HA -0.269 4.051 4.320 -0.001 0.000 0.210 234 K C 2.271 179.007 176.600 0.227 0.000 1.049 234 K CA 1.943 58.328 56.287 0.163 0.000 0.927 234 K CB -0.260 32.392 32.500 0.253 0.000 0.713 234 K HN 0.359 nan 8.250 nan 0.000 0.443 235 K N 1.131 121.665 120.400 0.224 0.000 2.026 235 K HA -0.234 4.086 4.320 -0.001 0.000 0.208 235 K C 2.167 178.866 176.600 0.164 0.000 1.048 235 K CA 1.762 58.187 56.287 0.230 0.000 0.929 235 K CB 0.030 32.592 32.500 0.104 0.000 0.713 235 K HN -0.014 nan 8.250 nan 0.000 0.439 236 E N 0.816 121.034 120.200 0.029 0.000 2.051 236 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 236 E C 1.911 178.507 176.600 -0.006 0.000 0.991 236 E CA 1.412 57.787 56.400 -0.042 0.000 0.799 236 E CB -0.151 29.475 29.700 -0.123 0.000 0.748 236 E HN 0.350 nan 8.360 nan 0.000 0.449 237 L N -0.279 120.952 121.223 0.013 0.000 2.109 237 L HA -0.017 4.322 4.340 -0.001 0.000 0.207 237 L C 2.513 179.404 176.870 0.036 0.000 1.086 237 L CA 0.832 55.672 54.840 0.001 0.000 0.760 237 L CB -0.594 41.449 42.059 -0.027 0.000 0.910 237 L HN 0.200 nan 8.230 nan 0.000 0.437 238 A N -0.088 122.805 122.820 0.122 0.000 1.908 238 A HA -0.259 4.060 4.320 -0.001 0.000 0.218 238 A C 2.227 179.996 177.584 0.308 0.000 1.181 238 A CA 1.589 53.756 52.037 0.217 0.000 0.627 238 A CB -0.479 18.801 19.000 0.467 0.000 0.818 238 A HN 0.467 nan 8.150 nan 0.000 0.445 239 Q N -1.004 118.934 119.800 0.230 0.000 2.170 239 Q HA -0.155 4.184 4.340 -0.001 0.000 0.203 239 Q C 1.445 177.440 176.000 -0.009 0.000 0.976 239 Q CA 1.286 57.078 55.803 -0.018 0.000 0.858 239 Q CB -0.050 28.539 28.738 -0.249 0.000 0.907 239 Q HN 0.605 nan 8.270 nan 0.000 0.433 240 Q N -0.111 119.693 119.800 0.007 0.000 2.319 240 Q HA 0.125 4.465 4.340 -0.001 0.000 0.202 240 Q C -0.388 175.629 176.000 0.029 0.000 0.896 240 Q CA 0.019 55.823 55.803 0.002 0.000 0.942 240 Q CB 0.553 29.282 28.738 -0.015 0.000 1.083 240 Q HN 0.279 nan 8.270 nan 0.000 0.510 241 R N 0.851 121.374 120.500 0.039 0.000 3.251 241 R HA -0.213 4.127 4.340 -0.001 0.000 0.249 241 R C -0.171 176.163 176.300 0.057 0.000 0.949 241 R CA 0.444 56.559 56.100 0.025 0.000 0.645 241 R CB -1.957 28.383 30.300 0.066 0.000 1.065 241 R HN 0.392 nan 8.270 nan 0.000 0.452 242 Q N 0.085 119.906 119.800 0.036 0.000 2.186 242 Q HA 0.194 4.534 4.340 -0.001 0.000 0.241 242 Q C 1.176 177.256 176.000 0.134 0.000 0.849 242 Q CA -0.225 55.632 55.803 0.091 0.000 1.053 242 Q CB 0.546 29.302 28.738 0.029 0.000 1.146 242 Q HN 0.444 nan 8.270 nan 0.000 0.475 243 L N 0.004 121.244 121.223 0.028 0.000 2.418 243 L HA 0.060 4.400 4.340 -0.001 0.000 0.218 243 L C 0.339 177.203 176.870 -0.010 0.000 1.125 243 L CA 0.899 55.727 54.840 -0.021 0.000 0.835 243 L CB 0.344 42.202 42.059 -0.336 0.000 0.953 243 L HN 0.174 nan 8.230 nan 0.000 0.454 244 E N 0.289 120.528 120.200 0.065 0.000 2.158 244 E HA 0.498 4.848 4.350 -0.001 0.000 0.271 244 E C -1.226 175.293 176.600 -0.134 0.000 0.911 244 E CA -0.526 55.719 56.400 -0.258 0.000 0.767 244 E CB 1.407 31.095 29.700 -0.020 0.000 1.120 244 E HN 0.006 nan 8.360 nan 0.000 0.405 245 F N -0.074 119.619 119.950 -0.430 0.000 2.668 245 F HA 0.477 5.004 4.527 -0.001 0.000 0.309 245 F C -1.420 174.267 175.800 -0.188 0.000 1.117 245 F CA -1.400 56.491 58.000 -0.182 0.000 0.951 245 F CB 0.786 39.714 39.000 -0.120 0.000 1.323 245 F HN 0.153 nan 8.300 nan 0.000 0.451 246 L N 2.782 124.155 121.223 0.251 0.000 2.282 246 L HA 0.158 4.497 4.340 -0.001 0.000 0.287 246 L C -1.023 176.072 176.870 0.374 0.000 1.075 246 L CA -0.216 54.768 54.840 0.241 0.000 0.839 246 L CB 0.395 42.602 42.059 0.246 0.000 1.219 246 L HN 0.592 nan 8.230 nan 0.000 0.434 247 W N 6.843 128.247 121.300 0.175 0.000 2.416 247 W HA 0.304 4.963 4.660 -0.001 0.000 0.318 247 W C 0.298 176.844 176.519 0.045 0.000 1.150 247 W CA -1.236 56.233 57.345 0.208 0.000 1.392 247 W CB 0.378 29.998 29.460 0.267 0.000 1.311 247 W HN 0.506 nan 8.180 nan 0.000 0.436 248 R N 3.745 124.421 120.500 0.293 0.000 2.758 248 R HA 0.534 4.874 4.340 -0.001 0.000 0.265 248 R C -0.080 176.130 176.300 -0.150 0.000 1.016 248 R CA -0.908 55.193 56.100 0.001 0.000 1.040 248 R CB 1.057 31.340 30.300 -0.027 0.000 1.152 248 R HN 0.230 nan 8.270 nan 0.000 0.503 249 Q N 1.343 120.899 119.800 -0.406 0.000 2.394 249 Q HA 0.060 4.400 4.340 -0.001 0.000 0.248 249 Q C 1.468 177.084 176.000 -0.640 0.000 0.992 249 Q CA 0.091 55.455 55.803 -0.732 0.000 0.888 249 Q CB 0.834 28.667 28.738 -1.509 0.000 1.257 249 Q HN 0.849 nan 8.270 nan 0.000 0.462 250 I N -2.048 118.250 120.570 -0.454 0.000 2.454 250 I HA -0.160 4.009 4.170 -0.001 0.000 0.254 250 I C 1.313 177.383 176.117 -0.077 0.000 1.156 250 I CA 1.337 62.535 61.300 -0.169 0.000 1.433 250 I CB -0.362 37.631 38.000 -0.013 0.000 1.082 250 I HN 0.676 nan 8.210 nan 0.000 0.432 251 W N 1.348 122.710 121.300 0.104 0.000 3.278 251 W HA 0.358 5.018 4.660 -0.001 0.000 0.308 251 W C 0.250 176.850 176.519 0.136 0.000 1.253 251 W CA -0.622 56.849 57.345 0.211 0.000 1.759 251 W CB -0.680 28.985 29.460 0.342 0.000 1.093 251 W HN -0.060 nan 8.180 nan 0.000 0.648 252 D N 1.888 122.063 120.400 -0.374 0.000 2.422 252 D HA -0.022 4.617 4.640 -0.001 0.000 0.227 252 D C 0.982 177.260 176.300 -0.037 0.000 1.190 252 D CA 0.156 54.037 54.000 -0.199 0.000 0.905 252 D CB 0.309 40.892 40.800 -0.362 0.000 1.034 252 D HN 0.087 nan 8.370 nan 0.000 0.507 253 N N 3.730 122.468 118.700 0.064 0.000 2.216 253 N HA -0.121 4.618 4.740 -0.001 0.000 0.183 253 N C 1.438 176.970 175.510 0.036 0.000 1.017 253 N CA 1.126 54.208 53.050 0.052 0.000 0.861 253 N CB 0.165 38.704 38.487 0.087 0.000 0.986 253 N HN 0.314 nan 8.380 nan 0.000 0.428 254 K N -1.263 119.164 120.400 0.044 0.000 2.116 254 K HA 0.080 4.400 4.320 -0.001 0.000 0.203 254 K C 0.600 177.215 176.600 0.026 0.000 1.052 254 K CA 1.030 57.340 56.287 0.038 0.000 0.952 254 K CB 0.007 32.535 32.500 0.046 0.000 0.729 254 K HN 0.284 nan 8.250 nan 0.000 0.446 255 G N 0.827 109.635 108.800 0.013 0.000 2.148 255 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.203 255 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.203 255 G C 0.161 175.066 174.900 0.008 0.000 0.993 255 G CA 0.355 45.460 45.100 0.008 0.000 0.661 255 G HN 0.343 nan 8.290 nan 0.000 0.518 256 D N 0.624 121.030 120.400 0.010 0.000 2.264 256 D HA -0.039 4.601 4.640 -0.001 0.000 0.208 256 D C 2.609 178.900 176.300 -0.015 0.000 0.966 256 D CA 1.787 55.791 54.000 0.006 0.000 0.864 256 D CB -0.226 40.585 40.800 0.018 0.000 0.933 256 D HN 0.675 nan 8.370 nan 0.000 0.499 257 T N -1.938 112.597 114.554 -0.031 0.000 3.113 257 T HA 0.287 4.637 4.350 -0.001 0.000 0.256 257 T C 0.985 175.648 174.700 -0.062 0.000 1.131 257 T CA -0.011 62.050 62.100 -0.065 0.000 1.074 257 T CB -0.024 68.787 68.868 -0.094 0.000 0.944 257 T HN 0.068 nan 8.240 nan 0.000 0.516 258 A N 1.401 124.209 122.820 -0.019 0.000 2.540 258 A HA 0.536 4.855 4.320 -0.001 0.000 0.239 258 A C -0.258 177.346 177.584 0.034 0.000 1.061 258 A CA -0.296 51.760 52.037 0.032 0.000 0.758 258 A CB -0.143 18.900 19.000 0.072 0.000 0.991 258 A HN 0.540 nan 8.150 nan 0.000 0.502 259 L N 2.771 124.034 121.223 0.066 0.000 2.409 259 L HA 0.551 4.891 4.340 -0.001 0.000 0.272 259 L C -0.638 176.289 176.870 0.095 0.000 0.980 259 L CA -0.562 54.311 54.840 0.056 0.000 0.826 259 L CB 1.447 43.503 42.059 -0.005 0.000 1.268 259 L HN 0.664 nan 8.230 nan 0.000 0.407 260 F N 3.808 123.718 119.950 -0.066 0.000 2.578 260 F HA 0.383 4.909 4.527 -0.001 0.000 0.381 260 F C 0.046 175.729 175.800 -0.197 0.000 1.069 260 F CA 0.817 58.745 58.000 -0.120 0.000 1.231 260 F CB 0.454 39.400 39.000 -0.090 0.000 1.086 260 F HN 0.559 nan 8.300 nan 0.000 0.564 261 T N 5.353 119.349 114.554 -0.930 0.000 2.881 261 T HA 0.196 4.546 4.350 -0.001 0.000 0.290 261 T C -1.617 172.474 174.700 -1.015 0.000 1.000 261 T CA -0.474 61.156 62.100 -0.783 0.000 0.978 261 T CB 0.868 69.256 68.868 -0.800 0.000 0.997 261 T HN 0.612 nan 8.240 nan 0.000 0.443 262 H N 2.933 121.714 119.070 -0.483 0.000 2.541 262 H HA 0.609 5.165 4.556 -0.001 0.000 0.316 262 H C -0.343 174.805 175.328 -0.299 0.000 1.043 262 H CA -0.738 55.137 56.048 -0.288 0.000 1.232 262 H CB 0.710 30.518 29.762 0.076 0.000 1.406 262 H HN 0.481 nan 8.280 nan 0.000 0.469 263 M N 6.990 126.255 119.600 -0.558 0.000 2.108 263 M HA 0.275 4.754 4.480 -0.001 0.000 0.354 263 M C -0.846 175.201 176.300 -0.421 0.000 1.229 263 M CA -0.546 54.504 55.300 -0.418 0.000 1.081 263 M CB 0.572 32.986 32.600 -0.311 0.000 1.606 263 M HN 0.675 nan 8.290 nan 0.000 0.467 264 M N 6.984 126.436 119.600 -0.247 0.000 2.248 264 M HA 0.162 4.642 4.480 -0.001 0.000 0.337 264 M C -1.603 174.563 176.300 -0.225 0.000 1.121 264 M CA -1.103 54.100 55.300 -0.161 0.000 1.155 264 M CB 0.299 32.823 32.600 -0.127 0.000 1.514 264 M HN 0.476 nan 8.290 nan 0.000 0.452 265 P HA 0.135 nan 4.420 nan 0.000 0.252 265 P C -0.380 176.719 177.300 -0.335 0.000 1.218 265 P CA 0.811 63.605 63.100 -0.511 0.000 0.807 265 P CB 0.377 31.475 31.700 -1.004 0.000 1.072 266 F N -1.748 118.198 119.950 -0.007 0.000 2.611 266 F HA 0.303 4.829 4.527 -0.001 0.000 0.374 266 F C 1.989 177.864 175.800 0.126 0.000 1.110 266 F CA -1.463 56.566 58.000 0.048 0.000 1.090 266 F CB -0.838 38.130 39.000 -0.053 0.000 1.388 266 F HN -0.314 nan 8.300 nan 0.000 0.501 267 Y N -0.022 120.425 120.300 0.243 0.000 2.373 267 Y HA 0.152 4.702 4.550 -0.001 0.000 0.293 267 Y C 0.863 176.677 175.900 -0.144 0.000 1.129 267 Y CA 1.296 59.401 58.100 0.009 0.000 1.226 267 Y CB 0.104 38.492 38.460 -0.120 0.000 1.000 267 Y HN 0.346 nan 8.280 nan 0.000 0.549 268 S N -1.664 113.847 115.700 -0.315 0.000 2.651 268 S HA 0.258 4.727 4.470 -0.001 0.000 0.279 268 S C -0.359 174.135 174.600 -0.177 0.000 1.148 268 S CA -0.407 57.506 58.200 -0.479 0.000 0.837 268 S CB 0.365 63.220 63.200 -0.575 0.000 1.138 268 S HN 0.299 nan 8.310 nan 0.000 0.478 269 Y N 0.777 121.023 120.300 -0.091 0.000 2.466 269 Y HA 0.310 4.859 4.550 -0.001 0.000 0.272 269 Y C 0.436 176.418 175.900 0.135 0.000 1.169 269 Y CA -0.617 57.463 58.100 -0.034 0.000 1.285 269 Y CB -0.997 37.350 38.460 -0.188 0.000 1.078 269 Y HN 0.532 nan 8.280 nan 0.000 0.523 270 D N 0.588 120.987 120.400 -0.001 0.000 2.371 270 D HA -0.004 4.636 4.640 -0.001 0.000 0.242 270 D C 1.240 177.671 176.300 0.218 0.000 1.218 270 D CA -0.457 53.642 54.000 0.164 0.000 0.945 270 D CB 0.847 41.701 40.800 0.091 0.000 1.137 270 D HN 0.240 nan 8.370 nan 0.000 0.464 271 I N -0.134 120.542 120.570 0.177 0.000 2.179 271 I HA -0.167 4.002 4.170 -0.001 0.000 0.242 271 I C -0.740 175.418 176.117 0.069 0.000 1.088 271 I CA 0.973 62.361 61.300 0.145 0.000 1.357 271 I CB -1.186 36.885 38.000 0.119 0.000 1.051 271 I HN 0.353 nan 8.210 nan 0.000 0.409 272 P HA -0.168 nan 4.420 nan 0.000 0.218 272 P C 0.636 177.651 177.300 -0.475 0.000 1.146 272 P CA 1.633 64.561 63.100 -0.286 0.000 0.813 272 P CB -0.117 31.404 31.700 -0.299 0.000 0.778 273 H N -3.010 116.058 119.070 -0.003 0.000 2.505 273 H HA 0.212 4.768 4.556 -0.001 0.000 0.286 273 H C 0.954 176.380 175.328 0.164 0.000 1.072 273 H CA 0.670 56.730 56.048 0.020 0.000 1.141 273 H CB -0.250 29.584 29.762 0.121 0.000 1.550 273 H HN 0.126 nan 8.280 nan 0.000 0.547 274 T N -4.242 110.432 114.554 0.200 0.000 2.986 274 T HA -0.026 4.324 4.350 -0.001 0.000 0.264 274 T C 1.830 176.652 174.700 0.203 0.000 0.964 274 T CA 0.358 62.598 62.100 0.234 0.000 0.895 274 T CB -0.681 68.314 68.868 0.213 0.000 1.163 274 T HN 0.511 nan 8.240 nan 0.000 0.517 275 c N 1.581 120.274 118.600 0.156 0.000 2.495 275 c HA 0.705 5.275 4.570 -0.001 0.000 0.275 275 c C 1.355 175.569 174.090 0.206 0.000 1.392 275 c CA 0.439 56.896 56.329 0.215 0.000 1.766 275 c CB -1.122 41.475 42.510 0.146 0.000 1.933 275 c HN 0.887 nan 8.230 nan 0.000 0.519 276 G N -0.321 108.530 108.800 0.084 0.000 2.327 276 G HA2 0.369 4.328 3.960 -0.001 0.000 0.291 276 G HA3 0.369 4.328 3.960 -0.001 0.000 0.291 276 G C -2.745 171.793 174.900 -0.602 0.000 1.290 276 G CA 0.230 45.321 45.100 -0.015 0.000 0.857 276 G HN -0.100 nan 8.290 nan 0.000 0.520 277 P HA 0.113 nan 4.420 nan 0.000 0.229 277 P C -0.122 176.757 177.300 -0.702 0.000 1.160 277 P CA 1.018 63.428 63.100 -1.150 0.000 0.777 277 P CB 0.368 31.734 31.700 -0.557 0.000 0.814 278 D N 0.864 120.969 120.400 -0.490 0.000 2.454 278 D HA 0.147 4.786 4.640 -0.001 0.000 0.225 278 D C -1.538 174.425 176.300 -0.562 0.000 1.081 278 D CA -2.593 51.161 54.000 -0.409 0.000 0.864 278 D CB 1.313 41.959 40.800 -0.256 0.000 1.040 278 D HN -0.012 nan 8.370 nan 0.000 0.517 279 P HA -0.124 nan 4.420 nan 0.000 0.223 279 P C 1.239 177.709 177.300 -1.385 0.000 1.151 279 P CA 0.630 62.982 63.100 -1.245 0.000 0.787 279 P CB 0.503 31.192 31.700 -1.685 0.000 0.788 280 K N 0.368 120.096 120.400 -1.121 0.000 2.097 280 K HA -0.077 4.242 4.320 -0.001 0.000 0.206 280 K C 1.781 178.196 176.600 -0.308 0.000 1.049 280 K CA 1.217 57.154 56.287 -0.583 0.000 0.933 280 K CB -0.272 32.078 32.500 -0.250 0.000 0.717 280 K HN -0.074 nan 8.250 nan 0.000 0.442 281 V N 0.376 120.119 119.914 -0.284 0.000 2.379 281 V HA -0.234 3.886 4.120 -0.001 0.000 0.243 281 V C 2.423 178.492 176.094 -0.042 0.000 1.035 281 V CA 1.397 63.625 62.300 -0.120 0.000 1.035 281 V CB -0.323 31.447 31.823 -0.089 0.000 0.673 281 V HN 0.482 nan 8.190 nan 0.000 0.457 282 c N -0.734 117.765 118.600 -0.170 0.000 2.425 282 c HA -0.199 4.370 4.570 -0.001 0.000 0.277 282 c C 2.993 177.052 174.090 -0.052 0.000 1.280 282 c CA 0.780 57.070 56.329 -0.065 0.000 1.744 282 c CB -1.461 40.935 42.510 -0.190 0.000 1.989 282 c HN 0.756 nan 8.230 nan 0.000 0.491 283 c N 0.952 119.430 118.600 -0.204 0.000 2.411 283 c HA -0.166 4.403 4.570 -0.001 0.000 0.279 283 c C 2.619 176.603 174.090 -0.176 0.000 1.288 283 c CA 1.318 57.578 56.329 -0.115 0.000 1.764 283 c CB -1.468 41.050 42.510 0.013 0.000 1.974 283 c HN 0.644 nan 8.230 nan 0.000 0.498 284 Q N -1.401 118.241 119.800 -0.264 0.000 2.541 284 Q HA -0.034 4.306 4.340 -0.001 0.000 0.215 284 Q C 0.664 176.020 176.000 -1.074 0.000 0.977 284 Q CA 0.996 56.459 55.803 -0.565 0.000 0.934 284 Q CB -0.052 28.333 28.738 -0.588 0.000 0.988 284 Q HN 0.744 nan 8.270 nan 0.000 0.521 285 F N -0.328 119.332 119.950 -0.483 0.000 2.698 285 F HA 0.175 4.702 4.527 -0.001 0.000 0.304 285 F C 0.186 175.701 175.800 -0.476 0.000 1.108 285 F CA -0.634 56.982 58.000 -0.641 0.000 1.263 285 F CB 0.814 39.686 39.000 -0.213 0.000 1.013 285 F HN -0.140 nan 8.300 nan 0.000 0.532 286 D N 0.098 120.277 120.400 -0.369 0.000 2.467 286 D HA 0.143 4.782 4.640 -0.001 0.000 0.220 286 D C 0.453 176.575 176.300 -0.297 0.000 1.103 286 D CA -0.359 53.536 54.000 -0.174 0.000 0.886 286 D CB 0.153 40.911 40.800 -0.071 0.000 1.025 286 D HN 0.074 nan 8.370 nan 0.000 0.514 287 F N 1.800 121.764 119.950 0.023 0.000 2.802 287 F HA 0.105 4.631 4.527 -0.001 0.000 0.300 287 F C 2.322 178.087 175.800 -0.059 0.000 1.168 287 F CA 0.282 58.272 58.000 -0.017 0.000 1.433 287 F CB 0.066 39.076 39.000 0.018 0.000 1.115 287 F HN 0.264 nan 8.300 nan 0.000 0.582 288 K N 0.657 121.015 120.400 -0.071 0.000 2.487 288 K HA 0.054 4.373 4.320 -0.001 0.000 0.192 288 K C 1.110 177.702 176.600 -0.013 0.000 1.027 288 K CA 0.258 56.392 56.287 -0.254 0.000 1.054 288 K CB 0.128 32.322 32.500 -0.509 0.000 0.824 288 K HN 0.204 nan 8.250 nan 0.000 0.510 289 R N -0.021 120.484 120.500 0.009 0.000 2.586 289 R HA 0.199 4.538 4.340 -0.001 0.000 0.306 289 R C 0.920 177.254 176.300 0.056 0.000 1.079 289 R CA -0.157 55.964 56.100 0.035 0.000 1.083 289 R CB 0.228 30.525 30.300 -0.004 0.000 1.306 289 R HN 0.163 nan 8.270 nan 0.000 0.567 290 M N -1.077 118.591 119.600 0.112 0.000 2.502 290 M HA 0.166 4.645 4.480 -0.001 0.000 0.243 290 M C 1.154 177.493 176.300 0.065 0.000 1.130 290 M CA 0.742 56.090 55.300 0.080 0.000 1.055 290 M CB 0.957 33.615 32.600 0.096 0.000 1.457 290 M HN 0.491 nan 8.290 nan 0.000 0.488 291 G N -0.265 108.588 108.800 0.088 0.000 3.033 291 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.196 291 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.196 291 G C 0.998 175.901 174.900 0.004 0.000 1.078 291 G CA 0.245 45.369 45.100 0.039 0.000 0.805 291 G HN 0.409 nan 8.290 nan 0.000 0.472 292 S N 0.239 115.902 115.700 -0.061 0.000 2.474 292 S HA 0.201 4.671 4.470 -0.001 0.000 0.235 292 S C 1.699 176.095 174.600 -0.339 0.000 0.997 292 S CA 1.496 59.555 58.200 -0.235 0.000 0.949 292 S CB -0.418 62.558 63.200 -0.373 0.000 0.766 292 S HN 0.354 nan 8.310 nan 0.000 0.517 293 F N 1.883 121.829 119.950 -0.007 0.000 2.693 293 F HA 0.437 4.963 4.527 -0.001 0.000 0.303 293 F C 1.848 177.644 175.800 -0.006 0.000 1.097 293 F CA -0.188 57.807 58.000 -0.009 0.000 1.330 293 F CB -0.249 38.742 39.000 -0.014 0.000 1.067 293 F HN 0.342 nan 8.300 nan 0.000 0.565 294 G N 1.320 110.189 108.800 0.116 0.000 2.198 294 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.260 294 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.260 294 G C -0.110 174.841 174.900 0.084 0.000 1.025 294 G CA 0.139 45.283 45.100 0.074 0.000 0.769 294 G HN 0.331 nan 8.290 nan 0.000 0.507 295 L N -0.028 121.261 121.223 0.109 0.000 2.341 295 L HA 0.860 5.199 4.340 -0.001 0.000 0.267 295 L C 0.493 177.399 176.870 0.059 0.000 1.009 295 L CA -0.386 54.501 54.840 0.078 0.000 0.819 295 L CB 2.354 44.459 42.059 0.077 0.000 1.323 295 L HN 0.455 nan 8.230 nan 0.000 0.425 296 S N -0.580 115.143 115.700 0.038 0.000 2.671 296 S HA 0.518 4.987 4.470 -0.001 0.000 0.277 296 S C -1.242 173.375 174.600 0.028 0.000 1.165 296 S CA -0.805 57.409 58.200 0.024 0.000 0.822 296 S CB 1.629 64.832 63.200 0.006 0.000 1.150 296 S HN 0.525 nan 8.310 nan 0.000 0.479 297 c N 3.150 121.772 118.600 0.036 0.000 2.265 297 c HA 0.542 5.112 4.570 -0.001 0.000 0.332 297 c C -1.008 173.083 174.090 0.001 0.000 1.248 297 c CA -1.174 55.215 56.329 0.101 0.000 1.727 297 c CB 0.734 43.334 42.510 0.151 0.000 2.348 297 c HN 0.767 nan 8.230 nan 0.000 0.519 298 P HA -0.079 nan 4.420 nan 0.000 0.230 298 P C 1.061 178.092 177.300 -0.447 0.000 1.158 298 P CA 1.203 64.043 63.100 -0.433 0.000 0.769 298 P CB 0.073 31.343 31.700 -0.716 0.000 0.807 299 W N 0.627 121.904 121.300 -0.038 0.000 3.180 299 W HA 0.180 4.840 4.660 -0.001 0.000 0.254 299 W C 0.684 177.175 176.519 -0.045 0.000 1.318 299 W CA 0.035 57.353 57.345 -0.045 0.000 1.608 299 W CB -0.472 28.952 29.460 -0.059 0.000 1.124 299 W HN 0.145 nan 8.180 nan 0.000 0.694 300 K N -1.255 119.202 120.400 0.095 0.000 3.553 300 K HA -0.173 4.147 4.320 -0.001 0.000 0.303 300 K C -0.315 176.307 176.600 0.037 0.000 1.327 300 K CA 0.577 56.887 56.287 0.038 0.000 0.983 300 K CB -1.948 30.564 32.500 0.020 0.000 1.275 300 K HN -0.103 nan 8.250 nan 0.000 0.453 301 V N 2.289 122.237 119.914 0.058 0.000 2.350 301 V HA 0.303 4.422 4.120 -0.001 0.000 0.285 301 V C -1.817 174.264 176.094 -0.022 0.000 1.014 301 V CA -1.545 60.759 62.300 0.006 0.000 0.831 301 V CB 1.297 33.114 31.823 -0.010 0.000 1.000 301 V HN -0.032 nan 8.190 nan 0.000 0.433 302 P HA 0.356 nan 4.420 nan 0.000 0.276 302 P C -2.760 174.455 177.300 -0.142 0.000 1.244 302 P CA -1.864 61.197 63.100 -0.065 0.000 0.801 302 P CB 0.317 31.992 31.700 -0.041 0.000 1.006 303 P HA 0.213 nan 4.420 nan 0.000 0.269 303 P C -0.320 176.893 177.300 -0.146 0.000 1.215 303 P CA 0.220 63.130 63.100 -0.316 0.000 0.780 303 P CB 0.657 32.111 31.700 -0.410 0.000 0.898 304 R N 0.083 120.510 120.500 -0.121 0.000 2.686 304 R HA 0.397 4.737 4.340 -0.001 0.000 0.286 304 R C -0.278 176.081 176.300 0.098 0.000 0.969 304 R CA -0.696 55.397 56.100 -0.013 0.000 0.898 304 R CB 1.323 31.590 30.300 -0.054 0.000 1.183 304 R HN 0.342 nan 8.270 nan 0.000 0.456 305 T N 3.860 118.463 114.554 0.080 0.000 2.905 305 T HA 0.011 4.360 4.350 -0.001 0.000 0.299 305 T C 0.779 175.464 174.700 -0.025 0.000 1.024 305 T CA 0.171 62.286 62.100 0.025 0.000 1.151 305 T CB 0.085 68.952 68.868 -0.002 0.000 0.987 305 T HN 0.195 nan 8.240 nan 0.000 0.535 306 I N 4.062 124.569 120.570 -0.104 0.000 2.556 306 I HA 0.225 4.394 4.170 -0.001 0.000 0.284 306 I C 1.021 177.087 176.117 -0.085 0.000 1.114 306 I CA 0.116 61.356 61.300 -0.100 0.000 1.418 306 I CB 0.068 37.971 38.000 -0.162 0.000 1.394 306 I HN 0.779 nan 8.210 nan 0.000 0.552 307 S N 3.761 119.423 115.700 -0.064 0.000 2.704 307 S HA 0.440 4.910 4.470 -0.001 0.000 0.296 307 S C 0.375 174.944 174.600 -0.052 0.000 1.138 307 S CA -0.745 57.425 58.200 -0.049 0.000 0.875 307 S CB 2.099 65.277 63.200 -0.036 0.000 1.151 307 S HN 0.490 nan 8.310 nan 0.000 0.500 308 D N 0.715 121.094 120.400 -0.034 0.000 2.182 308 D HA -0.063 4.577 4.640 -0.001 0.000 0.201 308 D C 1.608 177.884 176.300 -0.040 0.000 0.986 308 D CA 1.516 55.498 54.000 -0.030 0.000 0.847 308 D CB -0.258 40.539 40.800 -0.006 0.000 0.942 308 D HN 0.556 nan 8.370 nan 0.000 0.467 309 Q N -0.086 119.694 119.800 -0.034 0.000 2.311 309 Q HA -0.008 4.331 4.340 -0.001 0.000 0.203 309 Q C 1.175 177.152 176.000 -0.040 0.000 0.954 309 Q CA 0.836 56.621 55.803 -0.030 0.000 0.885 309 Q CB -0.002 28.724 28.738 -0.020 0.000 0.963 309 Q HN 0.380 nan 8.270 nan 0.000 0.471 310 N N -1.915 116.753 118.700 -0.054 0.000 2.166 310 N HA -0.012 4.727 4.740 -0.001 0.000 0.213 310 N C 1.044 176.505 175.510 -0.082 0.000 1.222 310 N CA 0.129 53.147 53.050 -0.053 0.000 0.900 310 N CB -0.271 38.192 38.487 -0.040 0.000 1.055 310 N HN 0.042 nan 8.380 nan 0.000 0.515 311 V N 0.616 120.445 119.914 -0.140 0.000 2.407 311 V HA -0.073 4.046 4.120 -0.001 0.000 0.248 311 V C 2.256 178.144 176.094 -0.343 0.000 1.055 311 V CA 2.095 64.259 62.300 -0.227 0.000 1.049 311 V CB -0.865 30.798 31.823 -0.266 0.000 0.662 311 V HN 0.434 nan 8.190 nan 0.000 0.455 312 A N -0.189 122.408 122.820 -0.372 0.000 1.877 312 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 312 A C 2.426 180.046 177.584 0.060 0.000 1.186 312 A CA 2.180 54.123 52.037 -0.157 0.000 0.620 312 A CB -1.014 17.993 19.000 0.010 0.000 0.822 312 A HN 0.799 nan 8.150 nan 0.000 0.443 313 A N -0.445 122.385 122.820 0.017 0.000 1.873 313 A HA -0.128 4.191 4.320 -0.001 0.000 0.215 313 A C 2.245 179.866 177.584 0.060 0.000 1.186 313 A CA 1.369 53.434 52.037 0.047 0.000 0.616 313 A CB -0.444 18.567 19.000 0.019 0.000 0.823 313 A HN 0.421 nan 8.150 nan 0.000 0.442 314 R N 0.168 120.696 120.500 0.047 0.000 2.081 314 R HA -0.070 4.270 4.340 -0.001 0.000 0.235 314 R C 2.445 178.785 176.300 0.066 0.000 1.131 314 R CA 1.593 57.777 56.100 0.139 0.000 0.960 314 R CB -1.047 29.336 30.300 0.137 0.000 0.856 314 R HN 0.541 nan 8.270 nan 0.000 0.436 315 S N 1.451 117.138 115.700 -0.022 0.000 2.359 315 S HA -0.142 4.328 4.470 -0.001 0.000 0.224 315 S C 1.382 175.860 174.600 -0.203 0.000 1.035 315 S CA 1.477 59.575 58.200 -0.171 0.000 1.018 315 S CB -0.301 62.930 63.200 0.052 0.000 0.876 315 S HN 0.265 nan 8.310 nan 0.000 0.448 316 D N 1.527 121.999 120.400 0.122 0.000 2.126 316 D HA -0.124 4.515 4.640 -0.001 0.000 0.190 316 D C 1.898 178.204 176.300 0.010 0.000 1.001 316 D CA 1.030 55.148 54.000 0.196 0.000 0.841 316 D CB -0.514 40.400 40.800 0.192 0.000 0.949 316 D HN 0.276 nan 8.370 nan 0.000 0.446 317 L N -0.233 120.973 121.223 -0.028 0.000 2.017 317 L HA -0.162 4.178 4.340 -0.001 0.000 0.208 317 L C 2.406 179.104 176.870 -0.287 0.000 1.073 317 L CA 0.501 55.303 54.840 -0.063 0.000 0.745 317 L CB -0.214 41.884 42.059 0.064 0.000 0.894 317 L HN 0.086 nan 8.230 nan 0.000 0.432 318 L N -0.878 119.996 121.223 -0.582 0.000 2.027 318 L HA -0.131 4.209 4.340 -0.001 0.000 0.206 318 L C 2.329 178.508 176.870 -1.152 0.000 1.074 318 L CA 1.568 55.731 54.840 -1.128 0.000 0.745 318 L CB -0.351 40.744 42.059 -1.606 0.000 0.898 318 L HN -0.078 nan 8.230 nan 0.000 0.433 319 V N -0.055 119.301 119.914 -0.931 0.000 2.407 319 V HA -0.311 3.809 4.120 -0.001 0.000 0.248 319 V C 2.309 178.230 176.094 -0.288 0.000 1.055 319 V CA 1.929 63.831 62.300 -0.663 0.000 1.049 319 V CB -0.795 30.620 31.823 -0.679 0.000 0.662 319 V HN 0.580 nan 8.190 nan 0.000 0.455 320 D N -0.781 119.516 120.400 -0.172 0.000 2.123 320 D HA -0.208 4.431 4.640 -0.001 0.000 0.196 320 D C 2.243 178.522 176.300 -0.036 0.000 0.992 320 D CA 1.217 55.228 54.000 0.018 0.000 0.833 320 D CB -0.006 40.858 40.800 0.107 0.000 0.954 320 D HN 0.296 nan 8.370 nan 0.000 0.455 321 Q N -0.430 119.283 119.800 -0.147 0.000 2.050 321 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 321 Q C 2.197 178.221 176.000 0.039 0.000 0.980 321 Q CA 1.050 56.793 55.803 -0.100 0.000 0.840 321 Q CB -0.690 27.928 28.738 -0.201 0.000 0.898 321 Q HN 0.546 nan 8.270 nan 0.000 0.424 322 W N 1.514 122.715 121.300 -0.166 0.000 2.318 322 W HA -0.150 4.510 4.660 -0.001 0.000 0.313 322 W C 2.129 178.538 176.519 -0.185 0.000 1.221 322 W CA 0.935 58.180 57.345 -0.167 0.000 1.266 322 W CB -0.826 28.507 29.460 -0.212 0.000 1.150 322 W HN 0.236 nan 8.180 nan 0.000 0.496 323 K N 0.076 120.441 120.400 -0.059 0.000 2.148 323 K HA -0.137 4.183 4.320 -0.001 0.000 0.204 323 K C 1.956 178.392 176.600 -0.274 0.000 1.050 323 K CA 1.255 57.349 56.287 -0.323 0.000 0.942 323 K CB -0.234 31.776 32.500 -0.816 0.000 0.724 323 K HN 0.094 nan 8.250 nan 0.000 0.446 324 K N 1.036 121.366 120.400 -0.117 0.000 2.025 324 K HA -0.148 4.171 4.320 -0.001 0.000 0.207 324 K C 2.112 178.784 176.600 0.120 0.000 1.049 324 K CA 1.231 57.584 56.287 0.110 0.000 0.933 324 K CB -0.032 32.553 32.500 0.143 0.000 0.714 324 K HN 0.006 nan 8.250 nan 0.000 0.438 325 K N 0.849 121.324 120.400 0.125 0.000 2.063 325 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 325 K C 2.061 178.781 176.600 0.199 0.000 1.048 325 K CA 1.399 57.785 56.287 0.164 0.000 0.928 325 K CB -0.137 32.475 32.500 0.186 0.000 0.713 325 K HN 0.163 nan 8.250 nan 0.000 0.442 326 A N 1.201 124.119 122.820 0.164 0.000 2.019 326 A HA -0.154 4.166 4.320 -0.001 0.000 0.219 326 A C 1.733 179.486 177.584 0.282 0.000 1.164 326 A CA 1.418 53.586 52.037 0.220 0.000 0.644 326 A CB -0.359 18.728 19.000 0.146 0.000 0.805 326 A HN 0.326 nan 8.150 nan 0.000 0.449 327 E N 0.026 120.369 120.200 0.239 0.000 2.265 327 E HA -0.112 4.238 4.350 -0.001 0.000 0.196 327 E C 1.604 178.336 176.600 0.219 0.000 0.996 327 E CA 0.721 57.273 56.400 0.254 0.000 0.832 327 E CB -0.260 29.616 29.700 0.293 0.000 0.756 327 E HN 0.731 nan 8.360 nan 0.000 0.491 328 L N -0.628 120.682 121.223 0.146 0.000 2.591 328 L HA 0.043 4.383 4.340 -0.001 0.000 0.228 328 L C 0.213 176.884 176.870 -0.330 0.000 1.133 328 L CA 0.244 55.037 54.840 -0.079 0.000 0.880 328 L CB -0.086 41.805 42.059 -0.280 0.000 1.033 328 L HN -0.006 nan 8.230 nan 0.000 0.450 329 Y N -1.716 118.672 120.300 0.146 0.000 2.634 329 Y HA 0.384 4.934 4.550 -0.001 0.000 0.340 329 Y C 1.088 177.107 175.900 0.198 0.000 1.058 329 Y CA -1.011 57.196 58.100 0.177 0.000 1.081 329 Y CB 1.213 39.786 38.460 0.189 0.000 1.295 329 Y HN -0.286 nan 8.280 nan 0.000 0.487 330 R N -0.539 120.205 120.500 0.407 0.000 2.265 330 R HA 0.090 4.429 4.340 -0.001 0.000 0.194 330 R C 0.340 176.774 176.300 0.223 0.000 0.931 330 R CA 0.775 57.023 56.100 0.247 0.000 1.032 330 R CB 0.278 30.657 30.300 0.132 0.000 0.980 330 R HN 0.755 nan 8.270 nan 0.000 0.497 331 T N -0.765 113.963 114.554 0.290 0.000 2.922 331 T HA 0.108 4.458 4.350 -0.001 0.000 0.281 331 T C 0.608 175.453 174.700 0.242 0.000 1.005 331 T CA -0.942 61.295 62.100 0.228 0.000 0.982 331 T CB 1.243 70.222 68.868 0.186 0.000 1.158 331 T HN 0.079 nan 8.240 nan 0.000 0.566 332 N N 0.110 118.923 118.700 0.188 0.000 2.327 332 N HA 0.152 4.891 4.740 -0.001 0.000 0.231 332 N C -0.752 174.737 175.510 -0.035 0.000 1.130 332 N CA -0.378 52.745 53.050 0.122 0.000 0.845 332 N CB -0.112 38.362 38.487 -0.020 0.000 1.073 332 N HN 0.379 nan 8.380 nan 0.000 0.496 333 V N 1.190 121.117 119.914 0.022 0.000 2.444 333 V HA 0.429 4.548 4.120 -0.001 0.000 0.294 333 V C -0.695 175.478 176.094 0.131 0.000 1.022 333 V CA -0.969 61.344 62.300 0.021 0.000 0.850 333 V CB 1.644 33.459 31.823 -0.012 0.000 0.992 333 V HN 0.175 nan 8.190 nan 0.000 0.426 334 L N 5.635 126.882 121.223 0.041 0.000 2.341 334 L HA 0.689 5.028 4.340 -0.001 0.000 0.278 334 L C -0.856 175.878 176.870 -0.226 0.000 1.005 334 L CA -0.480 54.303 54.840 -0.096 0.000 0.818 334 L CB 1.661 43.561 42.059 -0.264 0.000 1.259 334 L HN 0.643 nan 8.230 nan 0.000 0.418 335 L N 6.405 127.273 121.223 -0.592 0.000 2.265 335 L HA 0.549 4.889 4.340 -0.001 0.000 0.288 335 L C -0.999 175.574 176.870 -0.496 0.000 1.058 335 L CA 0.174 54.498 54.840 -0.860 0.000 0.809 335 L CB 0.698 41.742 42.059 -1.691 0.000 1.179 335 L HN 0.436 nan 8.230 nan 0.000 0.429 336 I N 7.401 127.762 120.570 -0.347 0.000 2.502 336 I HA 0.334 4.504 4.170 -0.001 0.000 0.276 336 I C -2.276 173.814 176.117 -0.046 0.000 1.057 336 I CA -2.050 59.139 61.300 -0.185 0.000 1.163 336 I CB 0.966 38.831 38.000 -0.225 0.000 1.288 336 I HN 0.422 nan 8.210 nan 0.000 0.479 337 P HA 0.114 nan 4.420 nan 0.000 0.266 337 P C -0.408 177.066 177.300 0.289 0.000 1.195 337 P CA -0.164 63.066 63.100 0.218 0.000 0.768 337 P CB 0.795 32.667 31.700 0.287 0.000 0.838 338 L N 3.096 124.527 121.223 0.347 0.000 2.454 338 L HA 0.757 5.097 4.340 -0.001 0.000 0.258 338 L C -0.067 176.862 176.870 0.098 0.000 1.025 338 L CA 0.396 55.362 54.840 0.210 0.000 0.901 338 L CB 0.472 42.589 42.059 0.097 0.000 1.210 338 L HN 0.617 nan 8.230 nan 0.000 0.457 339 G N 1.720 110.457 108.800 -0.106 0.000 2.342 339 G HA2 0.471 4.431 3.960 -0.001 0.000 0.297 339 G HA3 0.471 4.431 3.960 -0.001 0.000 0.297 339 G C -2.193 172.590 174.900 -0.195 0.000 1.313 339 G CA -0.242 44.554 45.100 -0.506 0.000 0.830 339 G HN 0.393 nan 8.290 nan 0.000 0.506 340 D N -1.771 118.584 120.400 -0.075 0.000 2.879 340 D HA 0.295 4.934 4.640 -0.001 0.000 0.346 340 D C -1.533 174.909 176.300 0.236 0.000 1.390 340 D CA -0.446 53.699 54.000 0.242 0.000 0.838 340 D CB 1.337 42.229 40.800 0.153 0.000 1.416 340 D HN 0.233 nan 8.370 nan 0.000 0.493 341 D N 0.421 121.021 120.400 0.333 0.000 2.450 341 D HA 0.210 4.850 4.640 -0.001 0.000 0.247 341 D C 0.240 176.702 176.300 0.269 0.000 1.162 341 D CA 0.513 54.692 54.000 0.299 0.000 0.879 341 D CB -0.281 40.802 40.800 0.471 0.000 1.163 341 D HN 0.339 nan 8.370 nan 0.000 0.472 342 F N 0.225 120.230 119.950 0.092 0.000 3.079 342 F HA -0.308 4.218 4.527 -0.001 0.000 0.274 342 F C 1.111 176.948 175.800 0.061 0.000 0.940 342 F CA 0.614 58.648 58.000 0.056 0.000 0.932 342 F CB -0.929 38.090 39.000 0.033 0.000 0.891 342 F HN 0.229 nan 8.300 nan 0.000 0.722 343 R N -0.516 120.071 120.500 0.145 0.000 2.580 343 R HA 0.470 4.810 4.340 -0.001 0.000 0.267 343 R C 0.747 177.077 176.300 0.050 0.000 1.125 343 R CA -0.720 55.357 56.100 -0.039 0.000 1.188 343 R CB -0.099 30.069 30.300 -0.220 0.000 1.155 343 R HN 0.190 nan 8.270 nan 0.000 0.586 344 F N -0.727 119.049 119.950 -0.290 0.000 3.071 344 F HA -0.283 4.244 4.527 -0.001 0.000 0.295 344 F C 1.367 177.112 175.800 -0.093 0.000 0.919 344 F CA 1.029 58.659 58.000 -0.616 0.000 1.050 344 F CB -1.092 37.255 39.000 -1.088 0.000 1.040 344 F HN 0.595 nan 8.300 nan 0.000 0.692 345 K N 0.003 120.447 120.400 0.073 0.000 2.054 345 K HA 0.028 4.347 4.320 -0.001 0.000 0.207 345 K C 0.679 177.419 176.600 0.234 0.000 1.031 345 K CA 0.747 57.153 56.287 0.198 0.000 0.952 345 K CB 0.146 32.735 32.500 0.148 0.000 0.775 345 K HN 0.275 nan 8.250 nan 0.000 0.447 346 Q N 1.520 121.420 119.800 0.166 0.000 2.352 346 Q HA 0.077 4.417 4.340 -0.001 0.000 0.260 346 Q C 0.629 176.809 176.000 0.299 0.000 0.976 346 Q CA -0.115 55.819 55.803 0.218 0.000 0.881 346 Q CB 0.917 29.835 28.738 0.301 0.000 1.235 346 Q HN 0.250 nan 8.270 nan 0.000 0.419 347 N N 0.797 119.648 118.700 0.252 0.000 2.091 347 N HA -0.192 4.547 4.740 -0.001 0.000 0.193 347 N C 1.433 177.098 175.510 0.258 0.000 1.021 347 N CA 2.075 55.272 53.050 0.245 0.000 0.862 347 N CB -0.435 38.146 38.487 0.158 0.000 1.018 347 N HN 0.792 nan 8.380 nan 0.000 0.429 348 T N -1.098 113.607 114.554 0.252 0.000 2.833 348 T HA -0.128 4.221 4.350 -0.001 0.000 0.269 348 T C 1.711 176.603 174.700 0.320 0.000 1.054 348 T CA 1.243 63.516 62.100 0.289 0.000 1.135 348 T CB -0.128 68.913 68.868 0.289 0.000 0.869 348 T HN 0.367 nan 8.240 nan 0.000 0.466 349 E N -0.168 120.154 120.200 0.203 0.000 2.046 349 E HA -0.098 4.251 4.350 -0.001 0.000 0.190 349 E C 1.850 178.346 176.600 -0.172 0.000 0.982 349 E CA 0.716 56.996 56.400 -0.200 0.000 0.800 349 E CB -0.252 29.142 29.700 -0.510 0.000 0.756 349 E HN 0.696 nan 8.360 nan 0.000 0.449 350 W N 1.807 123.012 121.300 -0.158 0.000 2.335 350 W HA -0.207 4.453 4.660 -0.001 0.000 0.311 350 W C 2.162 178.538 176.519 -0.239 0.000 1.213 350 W CA 1.344 58.499 57.345 -0.317 0.000 1.274 350 W CB -0.322 28.627 29.460 -0.851 0.000 1.148 350 W HN 0.190 nan 8.180 nan 0.000 0.498 351 D N -0.536 119.967 120.400 0.172 0.000 2.097 351 D HA -0.180 4.459 4.640 -0.001 0.000 0.195 351 D C 2.261 178.658 176.300 0.162 0.000 0.989 351 D CA 1.538 55.687 54.000 0.249 0.000 0.827 351 D CB -0.989 39.954 40.800 0.237 0.000 0.966 351 D HN 0.031 nan 8.370 nan 0.000 0.456 352 V N 0.874 120.864 119.914 0.125 0.000 2.427 352 V HA -0.196 3.924 4.120 -0.001 0.000 0.248 352 V C 2.246 178.378 176.094 0.063 0.000 1.051 352 V CA 1.495 63.849 62.300 0.090 0.000 1.048 352 V CB -0.067 31.856 31.823 0.167 0.000 0.666 352 V HN 0.149 nan 8.190 nan 0.000 0.456 353 Q N -0.276 119.594 119.800 0.116 0.000 2.046 353 Q HA -0.199 4.140 4.340 -0.001 0.000 0.200 353 Q C 2.344 178.546 176.000 0.338 0.000 0.975 353 Q CA 1.891 57.860 55.803 0.276 0.000 0.836 353 Q CB -0.496 28.361 28.738 0.199 0.000 0.896 353 Q HN 0.598 nan 8.270 nan 0.000 0.428 354 R N 0.528 121.194 120.500 0.276 0.000 2.073 354 R HA -0.102 4.238 4.340 -0.001 0.000 0.234 354 R C 2.251 178.732 176.300 0.302 0.000 1.134 354 R CA 1.350 57.664 56.100 0.357 0.000 0.952 354 R CB -0.061 30.453 30.300 0.355 0.000 0.850 354 R HN 0.069 nan 8.270 nan 0.000 0.433 355 V N 2.028 122.037 119.914 0.159 0.000 2.343 355 V HA -0.239 3.881 4.120 -0.001 0.000 0.247 355 V C 2.006 178.047 176.094 -0.088 0.000 1.051 355 V CA 1.863 64.198 62.300 0.058 0.000 1.036 355 V CB -0.628 31.218 31.823 0.038 0.000 0.654 355 V HN 0.432 nan 8.190 nan 0.000 0.451 356 N N -0.648 117.890 118.700 -0.270 0.000 2.142 356 N HA -0.155 4.584 4.740 -0.001 0.000 0.186 356 N C 1.874 177.073 175.510 -0.517 0.000 1.023 356 N CA 1.616 54.294 53.050 -0.621 0.000 0.852 356 N CB -0.334 37.180 38.487 -1.622 0.000 0.998 356 N HN 0.519 nan 8.380 nan 0.000 0.424 357 Y N 2.017 122.141 120.300 -0.294 0.000 2.181 357 Y HA -0.095 4.454 4.550 -0.001 0.000 0.288 357 Y C 2.400 177.799 175.900 -0.835 0.000 1.146 357 Y CA 1.082 58.877 58.100 -0.509 0.000 1.164 357 Y CB -0.181 38.072 38.460 -0.345 0.000 0.982 357 Y HN 0.133 nan 8.280 nan 0.000 0.515 358 E N -0.202 119.878 120.200 -0.199 0.000 2.085 358 E HA -0.252 4.098 4.350 -0.001 0.000 0.194 358 E C 2.241 178.798 176.600 -0.072 0.000 0.994 358 E CA 1.235 57.600 56.400 -0.059 0.000 0.801 358 E CB -0.161 29.622 29.700 0.139 0.000 0.743 358 E HN 0.464 nan 8.360 nan 0.000 0.453 359 R N 0.240 120.674 120.500 -0.111 0.000 2.092 359 R HA -0.090 4.249 4.340 -0.001 0.000 0.231 359 R C 2.468 178.736 176.300 -0.054 0.000 1.119 359 R CA 0.848 56.908 56.100 -0.066 0.000 0.970 359 R CB -0.235 30.005 30.300 -0.099 0.000 0.864 359 R HN 0.165 nan 8.270 nan 0.000 0.440 360 L N -0.383 120.737 121.223 -0.171 0.000 2.027 360 L HA -0.165 4.175 4.340 -0.001 0.000 0.206 360 L C 2.134 179.043 176.870 0.065 0.000 1.074 360 L CA 1.143 55.916 54.840 -0.112 0.000 0.745 360 L CB -0.426 41.477 42.059 -0.261 0.000 0.898 360 L HN 0.067 nan 8.230 nan 0.000 0.433 361 F N 0.304 120.268 119.950 0.023 0.000 2.095 361 F HA -0.237 4.290 4.527 -0.001 0.000 0.298 361 F C 2.650 178.457 175.800 0.011 0.000 1.104 361 F CA 1.378 59.378 58.000 0.001 0.000 1.232 361 F CB -1.045 37.913 39.000 -0.071 0.000 0.987 361 F HN 0.210 nan 8.300 nan 0.000 0.475 362 E N -0.718 119.609 120.200 0.212 0.000 2.085 362 E HA -0.294 4.055 4.350 -0.001 0.000 0.194 362 E C 2.222 178.906 176.600 0.141 0.000 0.994 362 E CA 1.553 58.039 56.400 0.144 0.000 0.801 362 E CB -0.250 29.518 29.700 0.114 0.000 0.743 362 E HN 0.522 nan 8.360 nan 0.000 0.453 363 H N 0.233 119.349 119.070 0.078 0.000 2.299 363 H HA -0.055 4.501 4.556 -0.001 0.000 0.302 363 H C 2.092 177.503 175.328 0.139 0.000 1.078 363 H CA 2.189 58.295 56.048 0.097 0.000 1.323 363 H CB -0.203 29.612 29.762 0.088 0.000 1.381 363 H HN 0.137 nan 8.280 nan 0.000 0.498 364 I N 0.494 121.140 120.570 0.128 0.000 2.163 364 I HA -0.314 3.856 4.170 -0.001 0.000 0.243 364 I C 1.737 177.884 176.117 0.050 0.000 1.085 364 I CA 1.474 62.801 61.300 0.045 0.000 1.347 364 I CB -0.326 37.629 38.000 -0.076 0.000 1.044 364 I HN 0.379 nan 8.210 nan 0.000 0.408 365 N N 0.361 119.080 118.700 0.033 0.000 2.381 365 N HA -0.116 4.623 4.740 -0.001 0.000 0.182 365 N C 1.840 177.334 175.510 -0.026 0.000 1.025 365 N CA 1.539 54.583 53.050 -0.010 0.000 0.888 365 N CB -0.304 38.169 38.487 -0.023 0.000 0.965 365 N HN 0.420 nan 8.380 nan 0.000 0.438 366 S N -0.904 114.775 115.700 -0.036 0.000 2.548 366 S HA 0.132 4.601 4.470 -0.001 0.000 0.215 366 S C 0.551 175.095 174.600 -0.094 0.000 0.976 366 S CA -0.131 58.038 58.200 -0.053 0.000 0.908 366 S CB 0.249 63.430 63.200 -0.032 0.000 0.781 366 S HN -0.012 nan 8.310 nan 0.000 0.519 367 Q N 1.358 121.072 119.800 -0.143 0.000 2.456 367 Q HA 0.544 4.883 4.340 -0.001 0.000 0.234 367 Q C 0.969 176.811 176.000 -0.262 0.000 1.061 367 Q CA 0.108 55.770 55.803 -0.234 0.000 0.896 367 Q CB 1.132 29.602 28.738 -0.446 0.000 1.233 367 Q HN 0.441 nan 8.270 nan 0.000 0.506 368 A N 2.717 125.455 122.820 -0.137 0.000 1.986 368 A HA -0.273 4.046 4.320 -0.001 0.000 0.220 368 A C 1.631 179.148 177.584 -0.112 0.000 1.171 368 A CA 2.189 54.171 52.037 -0.092 0.000 0.640 368 A CB -0.730 18.245 19.000 -0.042 0.000 0.811 368 A HN 0.891 nan 8.150 nan 0.000 0.451 369 H N -3.293 115.696 119.070 -0.135 0.000 2.489 369 H HA -0.060 4.495 4.556 -0.001 0.000 0.295 369 H C 1.371 176.635 175.328 -0.107 0.000 1.082 369 H CA 1.546 57.500 56.048 -0.156 0.000 1.295 369 H CB -0.598 29.016 29.762 -0.248 0.000 1.380 369 H HN 0.412 nan 8.280 nan 0.000 0.548 370 F N 0.973 120.643 119.950 -0.466 0.000 2.259 370 F HA 0.005 4.531 4.527 -0.001 0.000 0.298 370 F C 0.779 176.532 175.800 -0.078 0.000 1.088 370 F CA 0.732 58.597 58.000 -0.224 0.000 1.358 370 F CB -0.350 38.482 39.000 -0.281 0.000 1.040 370 F HN 0.187 nan 8.300 nan 0.000 0.505 371 N N 0.529 119.282 118.700 0.088 0.000 2.725 371 N HA -0.169 4.570 4.740 -0.001 0.000 0.251 371 N C -1.012 174.492 175.510 -0.010 0.000 1.031 371 N CA 0.469 53.552 53.050 0.055 0.000 0.720 371 N CB -1.539 37.024 38.487 0.127 0.000 0.930 371 N HN 0.036 nan 8.380 nan 0.000 0.543 372 V N 0.628 120.528 119.914 -0.023 0.000 2.656 372 V HA 0.378 4.498 4.120 -0.001 0.000 0.307 372 V C 0.135 176.152 176.094 -0.129 0.000 1.051 372 V CA -0.676 61.559 62.300 -0.108 0.000 0.893 372 V CB 2.457 34.248 31.823 -0.053 0.000 0.999 372 V HN 0.177 nan 8.190 nan 0.000 0.426 373 Q N 3.211 122.877 119.800 -0.223 0.000 2.363 373 Q HA 0.745 5.085 4.340 -0.001 0.000 0.265 373 Q C -0.729 175.020 176.000 -0.419 0.000 1.032 373 Q CA -0.137 55.508 55.803 -0.264 0.000 0.746 373 Q CB 1.572 30.156 28.738 -0.256 0.000 1.237 373 Q HN 0.985 nan 8.270 nan 0.000 0.475 374 A N 4.481 127.045 122.820 -0.426 0.000 2.337 374 A HA 0.851 5.171 4.320 -0.001 0.000 0.329 374 A C -1.130 175.765 177.584 -1.147 0.000 1.146 374 A CA -0.488 51.124 52.037 -0.709 0.000 0.800 374 A CB 0.998 19.783 19.000 -0.358 0.000 1.220 374 A HN 0.802 nan 8.150 nan 0.000 0.472 375 Q N 1.058 120.079 119.800 -1.298 0.000 2.527 375 Q HA 0.519 4.858 4.340 -0.001 0.000 0.280 375 Q C -1.665 173.899 176.000 -0.727 0.000 0.977 375 Q CA -0.817 54.268 55.803 -1.195 0.000 0.837 375 Q CB 0.627 29.027 28.738 -0.564 0.000 1.454 375 Q HN 0.381 nan 8.270 nan 0.000 0.387 376 F N 0.779 120.625 119.950 -0.174 0.000 2.572 376 F HA 0.536 5.063 4.527 -0.001 0.000 0.370 376 F C 1.190 177.031 175.800 0.068 0.000 1.103 376 F CA 1.563 59.600 58.000 0.061 0.000 1.286 376 F CB 0.746 39.844 39.000 0.163 0.000 1.105 376 F HN 0.741 nan 8.300 nan 0.000 0.583 377 G N 0.609 109.588 108.800 0.299 0.000 2.708 377 G HA2 0.628 4.588 3.960 -0.001 0.000 0.289 377 G HA3 0.628 4.588 3.960 -0.001 0.000 0.289 377 G C -1.027 173.883 174.900 0.017 0.000 1.416 377 G CA -0.642 44.585 45.100 0.212 0.000 0.829 377 G HN 0.711 nan 8.290 nan 0.000 0.480 378 T N -1.850 112.635 114.554 -0.114 0.000 2.937 378 T HA 0.463 4.813 4.350 -0.001 0.000 0.283 378 T C 1.266 175.814 174.700 -0.254 0.000 1.012 378 T CA -0.512 61.479 62.100 -0.181 0.000 0.997 378 T CB 1.509 70.284 68.868 -0.155 0.000 1.136 378 T HN 0.499 nan 8.240 nan 0.000 0.551 379 L N 0.557 121.630 121.223 -0.250 0.000 2.046 379 L HA 0.030 4.369 4.340 -0.001 0.000 0.208 379 L C 2.761 179.590 176.870 -0.068 0.000 1.077 379 L CA 1.981 56.702 54.840 -0.199 0.000 0.747 379 L CB -1.188 40.794 42.059 -0.128 0.000 0.896 379 L HN 0.896 nan 8.230 nan 0.000 0.432 380 Q N -0.083 119.703 119.800 -0.023 0.000 2.124 380 Q HA -0.220 4.120 4.340 -0.001 0.000 0.202 380 Q C 2.077 178.010 176.000 -0.112 0.000 0.977 380 Q CA 1.935 57.755 55.803 0.029 0.000 0.850 380 Q CB -0.164 28.564 28.738 -0.016 0.000 0.901 380 Q HN 0.629 nan 8.270 nan 0.000 0.429 381 E N -1.192 118.850 120.200 -0.264 0.000 2.077 381 E HA -0.227 4.123 4.350 -0.001 0.000 0.193 381 E C 1.710 177.846 176.600 -0.773 0.000 0.989 381 E CA 1.217 57.330 56.400 -0.478 0.000 0.800 381 E CB -0.322 29.028 29.700 -0.583 0.000 0.746 381 E HN 0.486 nan 8.360 nan 0.000 0.452 382 Y N 0.656 120.399 120.300 -0.927 0.000 2.097 382 Y HA -0.284 4.266 4.550 -0.001 0.000 0.282 382 Y C 1.923 177.508 175.900 -0.525 0.000 1.152 382 Y CA 1.669 59.254 58.100 -0.859 0.000 1.136 382 Y CB -0.502 37.494 38.460 -0.774 0.000 0.975 382 Y HN -0.063 nan 8.280 nan 0.000 0.498 383 F N 0.969 120.657 119.950 -0.438 0.000 2.134 383 F HA -0.196 4.330 4.527 -0.001 0.000 0.299 383 F C 2.266 177.841 175.800 -0.374 0.000 1.097 383 F CA 1.816 59.550 58.000 -0.442 0.000 1.264 383 F CB -0.907 38.021 39.000 -0.121 0.000 1.001 383 F HN 0.109 nan 8.300 nan 0.000 0.479 384 D N 0.003 120.354 120.400 -0.081 0.000 2.123 384 D HA -0.167 4.473 4.640 -0.001 0.000 0.196 384 D C 2.354 178.577 176.300 -0.129 0.000 0.992 384 D CA 1.550 55.508 54.000 -0.069 0.000 0.833 384 D CB -0.625 40.122 40.800 -0.088 0.000 0.954 384 D HN 0.239 nan 8.370 nan 0.000 0.455 385 A N 0.440 123.123 122.820 -0.229 0.000 1.930 385 A HA -0.099 4.221 4.320 -0.001 0.000 0.217 385 A C 2.528 179.989 177.584 -0.205 0.000 1.175 385 A CA 0.977 52.923 52.037 -0.151 0.000 0.627 385 A CB -0.662 18.321 19.000 -0.027 0.000 0.815 385 A HN 0.134 nan 8.150 nan 0.000 0.443 386 V N 0.004 119.663 119.914 -0.425 0.000 2.287 386 V HA -0.280 3.840 4.120 -0.001 0.000 0.248 386 V C 2.432 178.334 176.094 -0.319 0.000 1.053 386 V CA 2.193 64.232 62.300 -0.436 0.000 1.027 386 V CB -1.039 30.336 31.823 -0.747 0.000 0.646 386 V HN 0.658 nan 8.190 nan 0.000 0.447 387 H N -0.282 118.675 119.070 -0.189 0.000 2.462 387 H HA -0.076 4.480 4.556 -0.001 0.000 0.292 387 H C 2.421 177.715 175.328 -0.056 0.000 1.049 387 H CA 1.373 57.342 56.048 -0.132 0.000 1.334 387 H CB -0.096 29.548 29.762 -0.197 0.000 1.404 387 H HN 0.558 nan 8.280 nan 0.000 0.544 388 Q N 0.434 120.253 119.800 0.030 0.000 2.096 388 Q HA -0.095 4.244 4.340 -0.001 0.000 0.204 388 Q C 2.579 178.597 176.000 0.029 0.000 0.982 388 Q CA 1.470 57.286 55.803 0.022 0.000 0.850 388 Q CB -0.056 28.683 28.738 0.002 0.000 0.901 388 Q HN 0.409 nan 8.270 nan 0.000 0.422 389 A N 1.020 123.852 122.820 0.019 0.000 1.902 389 A HA -0.267 4.052 4.320 -0.001 0.000 0.217 389 A C 1.955 179.571 177.584 0.054 0.000 1.181 389 A CA 1.618 53.681 52.037 0.043 0.000 0.623 389 A CB -0.572 18.457 19.000 0.048 0.000 0.818 389 A HN 0.447 nan 8.150 nan 0.000 0.443 390 E N -0.231 120.018 120.200 0.081 0.000 2.058 390 E HA -0.232 4.117 4.350 -0.001 0.000 0.194 390 E C 2.253 178.894 176.600 0.069 0.000 0.997 390 E CA 1.263 57.721 56.400 0.097 0.000 0.801 390 E CB -0.136 29.730 29.700 0.276 0.000 0.746 390 E HN 0.586 nan 8.360 nan 0.000 0.450 391 R N -0.292 120.252 120.500 0.072 0.000 2.148 391 R HA -0.039 4.301 4.340 -0.001 0.000 0.227 391 R C 2.133 178.453 176.300 0.033 0.000 1.103 391 R CA 0.820 56.949 56.100 0.048 0.000 0.983 391 R CB -0.147 30.177 30.300 0.040 0.000 0.874 391 R HN 0.126 nan 8.270 nan 0.000 0.451 392 A N 0.329 123.169 122.820 0.034 0.000 2.239 392 A HA 0.135 4.454 4.320 -0.001 0.000 0.209 392 A C 1.375 178.973 177.584 0.024 0.000 1.171 392 A CA 0.838 52.894 52.037 0.030 0.000 0.768 392 A CB -0.325 18.699 19.000 0.040 0.000 0.790 392 A HN 0.462 nan 8.150 nan 0.000 0.478 393 G N -1.035 107.776 108.800 0.017 0.000 2.143 393 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.248 393 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.248 393 G C 0.760 175.655 174.900 -0.007 0.000 0.991 393 G CA 0.662 45.763 45.100 0.002 0.000 0.689 393 G HN 0.612 nan 8.290 nan 0.000 0.522 394 Q N -0.530 119.272 119.800 0.004 0.000 2.389 394 Q HA 0.509 4.849 4.340 -0.001 0.000 0.204 394 Q C 1.045 177.026 176.000 -0.032 0.000 0.944 394 Q CA 1.439 57.251 55.803 0.014 0.000 0.908 394 Q CB 0.037 28.820 28.738 0.075 0.000 1.002 394 Q HN 1.371 nan 8.270 nan 0.000 0.493 395 A N 0.909 123.665 122.820 -0.107 0.000 2.604 395 A HA 0.466 4.785 4.320 -0.001 0.000 0.295 395 A C -1.596 175.763 177.584 -0.375 0.000 1.067 395 A CA -0.886 50.993 52.037 -0.263 0.000 0.683 395 A CB 1.245 20.013 19.000 -0.387 0.000 1.281 395 A HN 0.291 nan 8.150 nan 0.000 0.407 396 E N 0.813 120.776 120.200 -0.396 0.000 2.288 396 E HA 0.750 5.100 4.350 -0.001 0.000 0.268 396 E C -1.756 174.625 176.600 -0.365 0.000 0.885 396 E CA -0.560 55.657 56.400 -0.306 0.000 0.767 396 E CB 1.789 31.437 29.700 -0.086 0.000 1.220 396 E HN 0.331 nan 8.360 nan 0.000 0.427 397 F N 1.613 121.668 119.950 0.173 0.000 2.450 397 F HA 0.404 4.931 4.527 -0.000 0.000 0.332 397 F C -1.870 174.030 175.800 0.166 0.000 1.093 397 F CA -2.300 55.825 58.000 0.208 0.000 1.003 397 F CB 1.240 40.440 39.000 0.333 0.000 1.151 397 F HN 0.319 nan 8.300 nan 0.000 0.474 398 P HA 0.165 nan 4.420 nan 0.000 0.274 398 P C -0.580 176.860 177.300 0.234 0.000 1.237 398 P CA -0.352 62.878 63.100 0.216 0.000 0.793 398 P CB 0.867 32.663 31.700 0.160 0.000 0.977 399 T N -0.412 114.232 114.554 0.151 0.000 2.909 399 T HA 0.660 5.009 4.350 -0.001 0.000 0.286 399 T C -0.253 174.479 174.700 0.053 0.000 1.002 399 T CA -0.782 61.399 62.100 0.135 0.000 1.074 399 T CB 1.000 69.925 68.868 0.096 0.000 0.984 399 T HN 0.459 nan 8.240 nan 0.000 0.495 400 L N 1.762 123.016 121.223 0.053 0.000 2.472 400 L HA 0.708 5.047 4.340 -0.001 0.000 0.260 400 L C -0.693 176.172 176.870 -0.008 0.000 0.963 400 L CA -0.400 54.362 54.840 -0.130 0.000 0.829 400 L CB 2.182 43.912 42.059 -0.548 0.000 1.348 400 L HN 1.120 nan 8.230 nan 0.000 0.408 401 S N 2.495 118.143 115.700 -0.086 0.000 2.627 401 S HA 1.060 5.529 4.470 -0.001 0.000 0.283 401 S C -0.305 174.223 174.600 -0.120 0.000 1.127 401 S CA -0.024 58.184 58.200 0.014 0.000 0.863 401 S CB 2.041 65.217 63.200 -0.041 0.000 1.121 401 S HN 1.732 nan 8.310 nan 0.000 0.479 402 G N 0.994 109.781 108.800 -0.022 0.000 2.362 402 G HA2 0.305 4.264 3.960 -0.001 0.000 0.517 402 G HA3 0.305 4.264 3.960 -0.001 0.000 0.517 402 G C -1.683 173.131 174.900 -0.144 0.000 1.256 402 G CA 0.019 45.015 45.100 -0.173 0.000 1.027 402 G HN 1.314 nan 8.290 nan 0.000 0.491 403 D N -1.711 118.470 120.400 -0.364 0.000 2.687 403 D HA 0.753 5.393 4.640 -0.001 0.000 0.264 403 D C -0.602 175.208 176.300 -0.816 0.000 1.091 403 D CA -1.017 52.782 54.000 -0.336 0.000 1.123 403 D CB 1.085 41.877 40.800 -0.012 0.000 1.407 403 D HN 0.390 nan 8.370 nan 0.000 0.591 404 F N -0.535 119.297 119.950 -0.197 0.000 2.761 404 F HA 0.395 4.921 4.527 -0.001 0.000 0.367 404 F C -0.957 174.679 175.800 -0.274 0.000 1.386 404 F CA -0.645 57.236 58.000 -0.197 0.000 1.177 404 F CB 0.165 39.077 39.000 -0.147 0.000 1.092 404 F HN 0.005 nan 8.300 nan 0.000 0.517 405 F N -0.699 119.436 119.950 0.310 0.000 2.546 405 F HA 0.568 5.094 4.527 -0.001 0.000 0.320 405 F C 0.593 176.649 175.800 0.426 0.000 1.076 405 F CA -1.372 56.873 58.000 0.408 0.000 0.928 405 F CB 1.609 40.840 39.000 0.386 0.000 1.189 405 F HN -0.290 nan 8.300 nan 0.000 0.465 406 T N 1.963 116.893 114.554 0.627 0.000 2.799 406 T HA 0.163 4.512 4.350 -0.001 0.000 0.286 406 T C -0.932 174.230 174.700 0.770 0.000 0.973 406 T CA -0.221 62.312 62.100 0.723 0.000 1.035 406 T CB 0.124 69.277 68.868 0.474 0.000 0.932 406 T HN 0.376 nan 8.240 nan 0.000 0.469 407 Y N 3.083 123.711 120.300 0.546 0.000 2.610 407 Y HA 0.395 4.945 4.550 -0.001 0.000 0.332 407 Y C -0.095 175.855 175.900 0.084 0.000 1.201 407 Y CA -0.980 57.270 58.100 0.250 0.000 1.465 407 Y CB 0.106 38.589 38.460 0.039 0.000 1.283 407 Y HN 0.677 nan 8.280 nan 0.000 0.563 408 A N 5.326 127.700 122.820 -0.744 0.000 2.374 408 A HA 0.349 4.668 4.320 -0.001 0.000 0.305 408 A C 0.045 177.016 177.584 -1.021 0.000 1.053 408 A CA -0.267 51.183 52.037 -0.979 0.000 0.726 408 A CB 0.653 18.820 19.000 -1.388 0.000 1.229 408 A HN 0.811 nan 8.150 nan 0.000 0.431 409 D N 1.733 121.676 120.400 -0.761 0.000 2.305 409 D HA 0.026 4.666 4.640 -0.001 0.000 0.206 409 D C 0.532 176.835 176.300 0.006 0.000 0.974 409 D CA 0.600 54.425 54.000 -0.292 0.000 0.871 409 D CB 0.163 40.932 40.800 -0.051 0.000 0.947 409 D HN 0.722 nan 8.370 nan 0.000 0.516 410 R N -2.210 118.232 120.500 -0.098 0.000 2.687 410 R HA 0.412 4.751 4.340 -0.001 0.000 0.265 410 R C -0.124 176.058 176.300 -0.196 0.000 1.048 410 R CA -0.196 55.691 56.100 -0.354 0.000 0.884 410 R CB 0.895 31.061 30.300 -0.224 0.000 1.258 410 R HN -0.102 nan 8.270 nan 0.000 0.469 411 S N 0.335 115.868 115.700 -0.279 0.000 4.050 411 S HA -0.300 4.170 4.470 -0.001 0.000 0.602 411 S C 0.453 175.146 174.600 0.155 0.000 2.030 411 S CA 1.992 60.188 58.200 -0.006 0.000 4.208 411 S CB -1.095 62.086 63.200 -0.032 0.000 0.290 411 S HN 1.083 nan 8.310 nan 0.000 0.615 412 D N 1.408 121.885 120.400 0.129 0.000 2.427 412 D HA 0.199 4.839 4.640 -0.001 0.000 0.224 412 D C 0.045 176.468 176.300 0.206 0.000 1.157 412 D CA -0.132 54.015 54.000 0.245 0.000 0.828 412 D CB -1.461 39.459 40.800 0.198 0.000 0.974 412 D HN 0.513 nan 8.370 nan 0.000 0.498 413 N N 0.948 119.667 118.700 0.032 0.000 2.807 413 N HA 0.048 4.787 4.740 -0.001 0.000 0.259 413 N C -0.907 174.626 175.510 0.039 0.000 1.149 413 N CA -0.322 52.744 53.050 0.027 0.000 1.042 413 N CB 0.132 38.617 38.487 -0.004 0.000 1.367 413 N HN 0.140 nan 8.380 nan 0.000 0.516 414 Y N 0.190 120.580 120.300 0.150 0.000 2.316 414 Y HA 0.097 4.647 4.550 -0.001 0.000 0.331 414 Y C 0.139 176.241 175.900 0.337 0.000 1.083 414 Y CA -0.639 57.615 58.100 0.257 0.000 1.206 414 Y CB 0.528 39.084 38.460 0.160 0.000 1.195 414 Y HN 0.390 nan 8.280 nan 0.000 0.497 415 W N 2.384 123.825 121.300 0.235 0.000 1.809 415 W HA 0.223 4.883 4.660 -0.001 0.000 0.399 415 W C 0.837 177.398 176.519 0.070 0.000 0.636 415 W CA -0.607 56.909 57.345 0.285 0.000 2.178 415 W CB -0.558 29.191 29.460 0.483 0.000 1.632 415 W HN 0.543 nan 8.180 nan 0.000 0.470 416 S N -2.067 113.665 115.700 0.055 0.000 2.556 416 S HA 0.125 4.594 4.470 -0.001 0.000 0.216 416 S C 1.976 176.310 174.600 -0.443 0.000 0.970 416 S CA 0.326 58.197 58.200 -0.548 0.000 0.912 416 S CB 0.141 63.351 63.200 0.017 0.000 0.790 416 S HN 0.344 nan 8.310 nan 0.000 0.504 417 G N 2.106 110.843 108.800 -0.106 0.000 2.418 417 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.217 417 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.217 417 G C 1.265 176.143 174.900 -0.036 0.000 1.158 417 G CA 0.951 46.005 45.100 -0.076 0.000 0.771 417 G HN 0.797 nan 8.290 nan 0.000 0.545 418 Y N -0.462 119.813 120.300 -0.042 0.000 2.616 418 Y HA 0.139 4.689 4.550 -0.001 0.000 0.296 418 Y C 1.878 177.901 175.900 0.205 0.000 1.154 418 Y CA -0.268 57.886 58.100 0.090 0.000 1.325 418 Y CB -0.371 38.234 38.460 0.241 0.000 1.007 418 Y HN 0.182 nan 8.280 nan 0.000 0.542 419 Y N 0.719 120.805 120.300 -0.357 0.000 2.497 419 Y HA -0.050 4.500 4.550 -0.001 0.000 0.292 419 Y C 1.758 177.609 175.900 -0.080 0.000 1.137 419 Y CA 0.716 58.644 58.100 -0.286 0.000 1.285 419 Y CB -0.767 37.563 38.460 -0.217 0.000 0.991 419 Y HN 0.311 nan 8.280 nan 0.000 0.556 420 T N -2.838 111.783 114.554 0.113 0.000 2.980 420 T HA 0.075 4.425 4.350 -0.001 0.000 0.252 420 T C 0.703 175.489 174.700 0.142 0.000 0.962 420 T CA -0.066 62.100 62.100 0.111 0.000 0.932 420 T CB -0.019 68.886 68.868 0.063 0.000 1.188 420 T HN -0.067 nan 8.240 nan 0.000 0.500 421 S N 2.531 118.312 115.700 0.136 0.000 2.573 421 S HA 0.143 4.612 4.470 -0.001 0.000 0.297 421 S C 0.424 175.156 174.600 0.219 0.000 1.280 421 S CA 0.075 58.366 58.200 0.151 0.000 1.061 421 S CB 0.048 63.323 63.200 0.125 0.000 0.812 421 S HN 0.415 nan 8.310 nan 0.000 0.500 422 R N 0.991 121.636 120.500 0.241 0.000 3.205 422 R HA -0.124 4.216 4.340 -0.001 0.000 0.249 422 R C -1.998 174.543 176.300 0.402 0.000 0.937 422 R CA 0.712 57.028 56.100 0.360 0.000 0.641 422 R CB -1.795 28.752 30.300 0.412 0.000 1.114 422 R HN 0.508 nan 8.270 nan 0.000 0.451 423 P HA -0.213 nan 4.420 nan 0.000 0.223 423 P C 1.084 178.587 177.300 0.338 0.000 1.151 423 P CA 0.948 64.259 63.100 0.351 0.000 0.787 423 P CB -0.010 31.944 31.700 0.423 0.000 0.788 424 Y N 1.371 121.752 120.300 0.135 0.000 2.165 424 Y HA -0.249 4.300 4.550 -0.001 0.000 0.286 424 Y C 2.249 178.122 175.900 -0.045 0.000 1.155 424 Y CA 2.041 60.134 58.100 -0.012 0.000 1.164 424 Y CB -0.835 37.481 38.460 -0.240 0.000 0.978 424 Y HN 0.066 nan 8.280 nan 0.000 0.513 425 H N -0.957 118.344 119.070 0.385 0.000 2.482 425 H HA 0.037 4.592 4.556 -0.001 0.000 0.286 425 H C 2.022 177.488 175.328 0.230 0.000 1.017 425 H CA 1.106 57.303 56.048 0.249 0.000 1.322 425 H CB -0.009 29.971 29.762 0.363 0.000 1.426 425 H HN 0.237 nan 8.280 nan 0.000 0.546 426 K N 0.395 121.003 120.400 0.347 0.000 2.057 426 K HA -0.150 4.170 4.320 -0.001 0.000 0.207 426 K C 2.240 178.889 176.600 0.081 0.000 1.049 426 K CA 1.201 57.633 56.287 0.242 0.000 0.931 426 K CB 0.077 32.698 32.500 0.202 0.000 0.714 426 K HN 0.021 nan 8.250 nan 0.000 0.440 427 R N 1.402 121.921 120.500 0.030 0.000 2.075 427 R HA -0.015 4.324 4.340 -0.001 0.000 0.232 427 R C 2.047 178.092 176.300 -0.425 0.000 1.126 427 R CA 1.453 57.499 56.100 -0.090 0.000 0.963 427 R CB -0.436 29.901 30.300 0.062 0.000 0.858 427 R HN 0.168 nan 8.270 nan 0.000 0.435 428 M N 0.244 119.459 119.600 -0.641 0.000 2.149 428 M HA -0.207 4.272 4.480 -0.001 0.000 0.261 428 M C 1.463 177.402 176.300 -0.602 0.000 1.064 428 M CA 2.414 57.084 55.300 -1.051 0.000 1.102 428 M CB -0.351 31.810 32.600 -0.732 0.000 1.369 428 M HN 0.276 nan 8.290 nan 0.000 0.408 429 D N -0.232 120.015 120.400 -0.255 0.000 2.133 429 D HA -0.231 4.409 4.640 -0.001 0.000 0.192 429 D C 1.879 178.087 176.300 -0.153 0.000 1.001 429 D CA 1.565 55.519 54.000 -0.077 0.000 0.844 429 D CB 0.112 41.021 40.800 0.180 0.000 0.944 429 D HN 0.228 nan 8.370 nan 0.000 0.447 430 R N -0.057 120.335 120.500 -0.180 0.000 2.115 430 R HA 0.009 4.349 4.340 -0.001 0.000 0.226 430 R C 2.414 178.592 176.300 -0.204 0.000 1.100 430 R CA 0.377 56.379 56.100 -0.163 0.000 0.980 430 R CB -0.846 29.379 30.300 -0.126 0.000 0.875 430 R HN 0.265 nan 8.270 nan 0.000 0.445 431 V N 1.498 121.187 119.914 -0.375 0.000 2.307 431 V HA -0.209 3.910 4.120 -0.001 0.000 0.245 431 V C 2.349 178.255 176.094 -0.314 0.000 1.045 431 V CA 1.464 63.518 62.300 -0.410 0.000 1.024 431 V CB -0.571 30.702 31.823 -0.916 0.000 0.651 431 V HN 0.133 nan 8.190 nan 0.000 0.449 432 L N -0.375 120.598 121.223 -0.416 0.000 2.093 432 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 432 L C 2.301 179.099 176.870 -0.120 0.000 1.085 432 L CA 1.975 56.641 54.840 -0.290 0.000 0.755 432 L CB -0.697 41.189 42.059 -0.289 0.000 0.904 432 L HN 0.324 nan 8.230 nan 0.000 0.435 433 M N -1.245 118.282 119.600 -0.121 0.000 2.088 433 M HA -0.339 4.140 4.480 -0.001 0.000 0.256 433 M C 2.384 178.645 176.300 -0.064 0.000 1.071 433 M CA 2.460 57.694 55.300 -0.111 0.000 1.097 433 M CB -0.407 32.094 32.600 -0.165 0.000 1.315 433 M HN 0.570 nan 8.290 nan 0.000 0.406 434 H N -0.790 118.237 119.070 -0.072 0.000 2.357 434 H HA -0.158 4.397 4.556 -0.001 0.000 0.301 434 H C 1.492 176.867 175.328 0.079 0.000 1.082 434 H CA 2.320 58.360 56.048 -0.012 0.000 1.342 434 H CB -0.360 29.405 29.762 0.004 0.000 1.389 434 H HN 0.466 nan 8.280 nan 0.000 0.511 435 Y N -0.322 119.846 120.300 -0.219 0.000 2.224 435 Y HA -0.164 4.385 4.550 -0.001 0.000 0.289 435 Y C 2.737 178.519 175.900 -0.198 0.000 1.146 435 Y CA 1.227 59.199 58.100 -0.214 0.000 1.182 435 Y CB -0.600 37.792 38.460 -0.114 0.000 0.983 435 Y HN 0.128 nan 8.280 nan 0.000 0.524 436 V N 0.053 119.959 119.914 -0.014 0.000 2.358 436 V HA -0.294 3.826 4.120 -0.001 0.000 0.246 436 V C 2.523 178.556 176.094 -0.101 0.000 1.047 436 V CA 2.097 64.359 62.300 -0.063 0.000 1.035 436 V CB -0.578 31.200 31.823 -0.075 0.000 0.658 436 V HN 0.303 nan 8.190 nan 0.000 0.452 437 R N 0.431 120.850 120.500 -0.135 0.000 2.083 437 R HA -0.188 4.152 4.340 -0.001 0.000 0.237 437 R C 2.263 178.495 176.300 -0.114 0.000 1.137 437 R CA 1.918 57.944 56.100 -0.123 0.000 0.951 437 R CB -0.485 29.741 30.300 -0.122 0.000 0.851 437 R HN 0.462 nan 8.270 nan 0.000 0.434 438 A N 0.633 123.324 122.820 -0.216 0.000 1.898 438 A HA -0.048 4.271 4.320 -0.001 0.000 0.216 438 A C 2.368 179.897 177.584 -0.093 0.000 1.181 438 A CA 1.574 53.543 52.037 -0.113 0.000 0.620 438 A CB -0.730 18.120 19.000 -0.250 0.000 0.819 438 A HN 0.572 nan 8.150 nan 0.000 0.442 439 A N -0.106 122.649 122.820 -0.107 0.000 1.902 439 A HA -0.164 4.156 4.320 -0.001 0.000 0.217 439 A C 1.939 179.469 177.584 -0.089 0.000 1.181 439 A CA 1.574 53.559 52.037 -0.086 0.000 0.623 439 A CB -0.526 18.434 19.000 -0.068 0.000 0.818 439 A HN 0.618 nan 8.150 nan 0.000 0.443 440 E N -0.967 119.180 120.200 -0.089 0.000 2.077 440 E HA -0.211 4.139 4.350 -0.001 0.000 0.193 440 E C 2.070 178.604 176.600 -0.110 0.000 0.989 440 E CA 1.380 57.721 56.400 -0.100 0.000 0.800 440 E CB -0.271 29.373 29.700 -0.094 0.000 0.746 440 E HN 0.749 nan 8.360 nan 0.000 0.452 441 M N 0.744 120.299 119.600 -0.074 0.000 2.077 441 M HA -0.153 4.326 4.480 -0.001 0.000 0.261 441 M C 2.190 178.478 176.300 -0.019 0.000 1.070 441 M CA 1.366 56.625 55.300 -0.069 0.000 1.125 441 M CB 0.025 32.677 32.600 0.087 0.000 1.339 441 M HN 0.072 nan 8.290 nan 0.000 0.409 442 L N 0.035 121.291 121.223 0.055 0.000 2.083 442 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 442 L C 2.588 179.605 176.870 0.246 0.000 1.083 442 L CA 1.688 56.618 54.840 0.151 0.000 0.752 442 L CB -0.507 41.489 42.059 -0.104 0.000 0.899 442 L HN 0.510 nan 8.230 nan 0.000 0.433 443 S N -1.073 114.692 115.700 0.108 0.000 2.528 443 S HA 0.087 4.557 4.470 -0.001 0.000 0.219 443 S C 1.966 176.728 174.600 0.271 0.000 0.985 443 S CA 0.354 58.691 58.200 0.229 0.000 0.914 443 S CB 0.049 63.186 63.200 -0.104 0.000 0.776 443 S HN 0.289 nan 8.310 nan 0.000 0.526 444 A N 0.965 123.771 122.820 -0.023 0.000 2.015 444 A HA 0.077 4.396 4.320 -0.001 0.000 0.219 444 A C 1.695 179.165 177.584 -0.191 0.000 1.163 444 A CA 0.806 52.728 52.037 -0.192 0.000 0.646 444 A CB -1.159 17.577 19.000 -0.440 0.000 0.806 444 A HN 0.761 nan 8.150 nan 0.000 0.448 445 W N -0.694 120.615 121.300 0.015 0.000 2.392 445 W HA -0.006 4.654 4.660 -0.001 0.000 0.279 445 W C 0.868 177.169 176.519 -0.363 0.000 1.225 445 W CA 0.943 58.200 57.345 -0.146 0.000 1.233 445 W CB -0.155 29.190 29.460 -0.193 0.000 1.122 445 W HN 0.386 nan 8.180 nan 0.000 0.561 446 H N -2.049 117.077 119.070 0.094 0.000 2.670 446 H HA 0.375 4.930 4.556 -0.001 0.000 0.361 446 H C -0.264 174.964 175.328 -0.166 0.000 1.169 446 H CA -0.872 55.066 56.048 -0.183 0.000 1.198 446 H CB 1.550 30.943 29.762 -0.614 0.000 1.700 446 H HN -0.422 nan 8.280 nan 0.000 0.542 447 S N 1.034 116.691 115.700 -0.072 0.000 2.537 447 S HA 0.186 4.656 4.470 -0.001 0.000 0.275 447 S C -1.082 173.419 174.600 -0.165 0.000 1.272 447 S CA -0.613 57.572 58.200 -0.026 0.000 1.050 447 S CB 0.209 63.401 63.200 -0.012 0.000 0.961 447 S HN 0.337 nan 8.310 nan 0.000 0.496 448 W N 1.374 122.671 121.300 -0.005 0.000 2.632 448 W HA 0.353 5.012 4.660 -0.001 0.000 0.328 448 W C 0.053 176.528 176.519 -0.073 0.000 1.044 448 W CA -0.918 56.396 57.345 -0.051 0.000 1.225 448 W CB 0.534 29.929 29.460 -0.109 0.000 1.396 448 W HN 0.553 nan 8.180 nan 0.000 0.499 449 D N 0.866 121.346 120.400 0.133 0.000 2.449 449 D HA 0.135 4.774 4.640 -0.001 0.000 0.236 449 D C 1.678 177.985 176.300 0.012 0.000 1.149 449 D CA 1.190 55.233 54.000 0.073 0.000 0.878 449 D CB 1.255 42.124 40.800 0.115 0.000 1.198 449 D HN 0.550 nan 8.370 nan 0.000 0.446 450 G N 2.852 111.666 108.800 0.023 0.000 2.475 450 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.220 450 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.220 450 G C 1.325 176.208 174.900 -0.027 0.000 1.125 450 G CA 0.517 45.617 45.100 0.001 0.000 0.755 450 G HN 0.472 nan 8.290 nan 0.000 0.565 451 M N 1.007 120.605 119.600 -0.003 0.000 2.374 451 M HA 0.112 4.591 4.480 -0.001 0.000 0.264 451 M C 2.813 179.060 176.300 -0.089 0.000 1.067 451 M CA 0.744 56.069 55.300 0.041 0.000 1.103 451 M CB -0.934 31.784 32.600 0.196 0.000 1.402 451 M HN 0.318 nan 8.290 nan 0.000 0.444 452 A N -0.108 122.419 122.820 -0.488 0.000 2.119 452 A HA -0.066 4.253 4.320 -0.001 0.000 0.217 452 A C 1.220 178.601 177.584 -0.338 0.000 1.153 452 A CA 0.482 52.003 52.037 -0.860 0.000 0.692 452 A CB -0.427 17.915 19.000 -1.097 0.000 0.799 452 A HN 0.594 nan 8.150 nan 0.000 0.458 453 R N -1.721 118.660 120.500 -0.197 0.000 3.627 453 R HA -0.188 4.152 4.340 -0.001 0.000 0.281 453 R C 0.677 176.873 176.300 -0.173 0.000 1.140 453 R CA 0.718 56.742 56.100 -0.125 0.000 0.761 453 R CB -2.091 28.170 30.300 -0.065 0.000 1.181 453 R HN 0.484 nan 8.270 nan 0.000 0.472 454 I N 0.559 120.973 120.570 -0.259 0.000 2.163 454 I HA -0.198 3.972 4.170 -0.001 0.000 0.240 454 I C 2.149 178.144 176.117 -0.203 0.000 1.081 454 I CA 1.711 62.808 61.300 -0.338 0.000 1.353 454 I CB -0.707 36.934 38.000 -0.598 0.000 1.054 454 I HN 0.211 nan 8.210 nan 0.000 0.407 455 E N 0.730 120.848 120.200 -0.138 0.000 2.118 455 E HA -0.246 4.104 4.350 -0.001 0.000 0.195 455 E C 2.085 178.641 176.600 -0.074 0.000 0.992 455 E CA 1.308 57.655 56.400 -0.087 0.000 0.804 455 E CB -0.249 29.423 29.700 -0.047 0.000 0.741 455 E HN 0.478 nan 8.360 nan 0.000 0.458 456 E N 0.447 120.606 120.200 -0.068 0.000 2.038 456 E HA -0.266 4.083 4.350 -0.001 0.000 0.195 456 E C 1.987 178.551 176.600 -0.059 0.000 1.000 456 E CA 1.150 57.519 56.400 -0.051 0.000 0.803 456 E CB 0.079 29.755 29.700 -0.041 0.000 0.750 456 E HN -0.021 nan 8.360 nan 0.000 0.448 457 R N 0.280 120.733 120.500 -0.078 0.000 2.075 457 R HA -0.016 4.323 4.340 -0.001 0.000 0.232 457 R C 2.409 178.662 176.300 -0.079 0.000 1.126 457 R CA 0.973 57.030 56.100 -0.073 0.000 0.963 457 R CB -0.474 29.777 30.300 -0.083 0.000 0.858 457 R HN 0.282 nan 8.270 nan 0.000 0.435 458 L N -0.137 121.027 121.223 -0.097 0.000 2.093 458 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 458 L C 2.373 179.187 176.870 -0.093 0.000 1.085 458 L CA 1.439 56.221 54.840 -0.096 0.000 0.755 458 L CB -0.426 41.568 42.059 -0.108 0.000 0.904 458 L HN 0.304 nan 8.230 nan 0.000 0.435 459 E N 0.198 120.346 120.200 -0.086 0.000 2.051 459 E HA -0.303 4.047 4.350 -0.001 0.000 0.192 459 E C 2.222 178.757 176.600 -0.110 0.000 0.991 459 E CA 1.323 57.666 56.400 -0.096 0.000 0.799 459 E CB -0.029 29.636 29.700 -0.059 0.000 0.748 459 E HN 0.412 nan 8.360 nan 0.000 0.449 460 Q N 0.048 119.803 119.800 -0.076 0.000 2.061 460 Q HA -0.241 4.099 4.340 -0.001 0.000 0.204 460 Q C 2.090 178.044 176.000 -0.076 0.000 0.984 460 Q CA 1.774 57.539 55.803 -0.063 0.000 0.846 460 Q CB -0.248 28.466 28.738 -0.040 0.000 0.902 460 Q HN 0.364 nan 8.270 nan 0.000 0.421 461 A N 1.105 123.880 122.820 -0.076 0.000 1.877 461 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 461 A C 2.091 179.615 177.584 -0.100 0.000 1.186 461 A CA 1.534 53.527 52.037 -0.074 0.000 0.620 461 A CB -0.557 18.407 19.000 -0.061 0.000 0.822 461 A HN 0.391 nan 8.150 nan 0.000 0.443 462 R N -0.748 119.674 120.500 -0.129 0.000 2.091 462 R HA -0.121 4.219 4.340 -0.001 0.000 0.238 462 R C 2.451 178.603 176.300 -0.247 0.000 1.136 462 R CA 1.659 57.656 56.100 -0.171 0.000 0.959 462 R CB -0.306 29.881 30.300 -0.188 0.000 0.856 462 R HN 0.504 nan 8.270 nan 0.000 0.437 463 R N 0.310 120.635 120.500 -0.291 0.000 2.090 463 R HA -0.072 4.268 4.340 -0.001 0.000 0.228 463 R C 2.108 178.346 176.300 -0.104 0.000 1.110 463 R CA 0.971 56.841 56.100 -0.383 0.000 0.973 463 R CB -0.010 30.092 30.300 -0.331 0.000 0.869 463 R HN 0.219 nan 8.270 nan 0.000 0.440 464 E N 0.784 120.954 120.200 -0.050 0.000 2.107 464 E HA -0.160 4.189 4.350 -0.001 0.000 0.191 464 E C 1.984 178.611 176.600 0.045 0.000 0.982 464 E CA 0.717 57.130 56.400 0.021 0.000 0.809 464 E CB -0.188 29.514 29.700 0.003 0.000 0.756 464 E HN 0.151 nan 8.360 nan 0.000 0.459 465 L N 1.270 122.488 121.223 -0.008 0.000 2.056 465 L HA -0.061 4.279 4.340 -0.001 0.000 0.207 465 L C 2.169 179.080 176.870 0.068 0.000 1.078 465 L CA 1.551 56.403 54.840 0.021 0.000 0.749 465 L CB -0.612 41.425 42.059 -0.037 0.000 0.901 465 L HN -0.106 nan 8.230 nan 0.000 0.433 466 S N -0.337 115.368 115.700 0.008 0.000 2.370 466 S HA -0.199 4.271 4.470 -0.001 0.000 0.226 466 S C 1.860 176.594 174.600 0.223 0.000 1.033 466 S CA 1.638 59.874 58.200 0.060 0.000 1.011 466 S CB -0.607 62.519 63.200 -0.123 0.000 0.852 466 S HN 0.458 nan 8.310 nan 0.000 0.457 467 L N 0.618 122.011 121.223 0.284 0.000 2.042 467 L HA -0.037 4.303 4.340 -0.001 0.000 0.210 467 L C 1.884 178.856 176.870 0.170 0.000 1.076 467 L CA 1.627 56.634 54.840 0.277 0.000 0.749 467 L CB -0.590 41.604 42.059 0.224 0.000 0.893 467 L HN 0.296 nan 8.230 nan 0.000 0.432 468 F N -0.349 119.568 119.950 -0.055 0.000 2.451 468 F HA -0.126 4.400 4.527 -0.001 0.000 0.299 468 F C 2.204 177.920 175.800 -0.140 0.000 1.101 468 F CA 0.830 58.689 58.000 -0.235 0.000 1.436 468 F CB -0.216 38.678 39.000 -0.178 0.000 1.074 468 F HN 0.238 nan 8.300 nan 0.000 0.553 469 Q N -0.336 119.426 119.800 -0.063 0.000 2.437 469 Q HA -0.159 4.181 4.340 -0.001 0.000 0.210 469 Q C 0.570 176.509 176.000 -0.103 0.000 0.972 469 Q CA 0.528 56.272 55.803 -0.099 0.000 0.903 469 Q CB -1.351 27.399 28.738 0.019 0.000 0.967 469 Q HN 0.513 nan 8.270 nan 0.000 0.486 470 H N 1.969 120.925 119.070 -0.190 0.000 3.058 470 H HA -0.113 4.442 4.556 -0.001 0.000 0.347 470 H C 1.331 176.509 175.328 -0.250 0.000 1.087 470 H CA 0.741 56.679 56.048 -0.183 0.000 1.375 470 H CB 0.564 30.233 29.762 -0.154 0.000 1.312 470 H HN 0.235 nan 8.280 nan 0.000 0.607 471 H N 1.892 120.534 119.070 -0.713 0.000 2.563 471 H HA -0.006 4.550 4.556 -0.001 0.000 0.272 471 H C -0.310 174.597 175.328 -0.702 0.000 1.005 471 H CA 0.712 56.315 56.048 -0.743 0.000 1.171 471 H CB 0.283 29.608 29.762 -0.728 0.000 1.351 471 H HN 0.601 nan 8.280 nan 0.000 0.602 472 D N 0.360 120.086 120.400 -1.123 0.000 2.469 472 D HA 0.131 4.770 4.640 -0.001 0.000 0.215 472 D C 1.623 177.906 176.300 -0.028 0.000 1.154 472 D CA 0.305 54.166 54.000 -0.231 0.000 0.832 472 D CB 0.824 41.710 40.800 0.143 0.000 1.008 472 D HN 0.523 nan 8.370 nan 0.000 0.506 473 G N 1.237 109.805 108.800 -0.388 0.000 2.618 473 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.222 473 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.222 473 G C 1.354 175.649 174.900 -1.008 0.000 1.520 473 G CA -0.211 44.394 45.100 -0.825 0.000 0.930 473 G HN 0.204 nan 8.290 nan 0.000 0.547 474 I N 2.002 121.695 120.570 -1.461 0.000 2.423 474 I HA -0.194 3.975 4.170 -0.001 0.000 0.254 474 I C 2.891 178.906 176.117 -0.169 0.000 1.151 474 I CA 2.080 62.837 61.300 -0.905 0.000 1.421 474 I CB -0.051 37.600 38.000 -0.583 0.000 1.079 474 I HN 0.385 nan 8.210 nan 0.000 0.431 475 T N -1.629 112.874 114.554 -0.085 0.000 3.007 475 T HA 0.014 4.364 4.350 -0.001 0.000 0.270 475 T C 1.541 176.390 174.700 0.247 0.000 1.107 475 T CA 0.637 62.878 62.100 0.235 0.000 1.118 475 T CB -0.571 68.430 68.868 0.221 0.000 0.889 475 T HN 0.639 nan 8.240 nan 0.000 0.506 476 G N 1.537 110.437 108.800 0.167 0.000 2.221 476 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.265 476 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.265 476 G C 0.520 175.497 174.900 0.128 0.000 1.041 476 G CA 0.647 45.866 45.100 0.198 0.000 0.807 476 G HN 1.175 nan 8.290 nan 0.000 0.502 477 T N -3.574 111.057 114.554 0.130 0.000 3.215 477 T HA 0.742 5.092 4.350 -0.001 0.000 0.271 477 T C 0.831 175.750 174.700 0.364 0.000 1.012 477 T CA 1.010 63.136 62.100 0.043 0.000 0.899 477 T CB 0.972 69.744 68.868 -0.159 0.000 1.089 477 T HN 1.575 nan 8.240 nan 0.000 0.552 478 A N 1.265 124.301 122.820 0.359 0.000 2.269 478 A HA 0.705 5.025 4.320 -0.001 0.000 0.327 478 A C 0.172 177.859 177.584 0.172 0.000 1.112 478 A CA -0.958 51.321 52.037 0.404 0.000 0.865 478 A CB 0.904 20.170 19.000 0.444 0.000 1.227 478 A HN 0.401 nan 8.150 nan 0.000 0.498 479 K N -0.187 120.243 120.400 0.049 0.000 2.276 479 K HA 0.145 4.464 4.320 -0.001 0.000 0.259 479 K C 1.089 177.693 176.600 0.007 0.000 1.001 479 K CA 0.326 56.616 56.287 0.004 0.000 0.927 479 K CB 0.362 32.849 32.500 -0.021 0.000 0.969 479 K HN 0.736 nan 8.250 nan 0.000 0.490 480 T N 1.421 116.009 114.554 0.057 0.000 2.624 480 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 480 T C 1.687 176.420 174.700 0.056 0.000 1.041 480 T CA 1.905 64.045 62.100 0.066 0.000 1.159 480 T CB -0.435 68.481 68.868 0.080 0.000 0.863 480 T HN 0.698 nan 8.240 nan 0.000 0.434 481 H N 0.517 119.583 119.070 -0.006 0.000 2.491 481 H HA 0.076 4.631 4.556 -0.001 0.000 0.290 481 H C 2.030 177.334 175.328 -0.041 0.000 1.050 481 H CA 0.982 57.019 56.048 -0.018 0.000 1.309 481 H CB -0.734 29.013 29.762 -0.025 0.000 1.392 481 H HN 0.282 nan 8.280 nan 0.000 0.554 482 V N 1.187 120.751 119.914 -0.583 0.000 2.407 482 V HA -0.166 3.954 4.120 -0.001 0.000 0.245 482 V C 3.045 178.956 176.094 -0.305 0.000 1.041 482 V CA 1.069 63.060 62.300 -0.513 0.000 1.040 482 V CB -0.426 31.146 31.823 -0.418 0.000 0.671 482 V HN 0.233 nan 8.190 nan 0.000 0.455 483 V N 0.083 119.948 119.914 -0.082 0.000 2.332 483 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 483 V C 2.461 178.532 176.094 -0.039 0.000 1.055 483 V CA 2.036 64.341 62.300 0.008 0.000 1.038 483 V CB -0.584 31.211 31.823 -0.046 0.000 0.651 483 V HN 0.422 nan 8.190 nan 0.000 0.450 484 V N 0.356 120.257 119.914 -0.022 0.000 2.407 484 V HA -0.296 3.824 4.120 -0.001 0.000 0.248 484 V C 2.294 178.404 176.094 0.026 0.000 1.055 484 V CA 2.402 64.722 62.300 0.033 0.000 1.049 484 V CB -0.690 31.164 31.823 0.052 0.000 0.662 484 V HN 0.642 nan 8.190 nan 0.000 0.455 485 D N -1.036 119.336 120.400 -0.048 0.000 2.117 485 D HA -0.199 4.440 4.640 -0.001 0.000 0.197 485 D C 1.997 178.305 176.300 0.014 0.000 0.987 485 D CA 1.460 55.429 54.000 -0.053 0.000 0.829 485 D CB -0.147 40.564 40.800 -0.149 0.000 0.961 485 D HN 0.487 nan 8.370 nan 0.000 0.460 486 Y N 0.964 121.298 120.300 0.057 0.000 2.181 486 Y HA -0.041 4.508 4.550 -0.001 0.000 0.288 486 Y C 2.416 178.282 175.900 -0.058 0.000 1.146 486 Y CA 1.214 59.340 58.100 0.044 0.000 1.164 486 Y CB -0.743 37.812 38.460 0.159 0.000 0.982 486 Y HN 0.140 nan 8.280 nan 0.000 0.515 487 E N 0.135 120.426 120.200 0.153 0.000 2.051 487 E HA -0.260 4.090 4.350 -0.001 0.000 0.192 487 E C 1.986 178.657 176.600 0.119 0.000 0.991 487 E CA 1.480 57.987 56.400 0.178 0.000 0.799 487 E CB -0.047 29.847 29.700 0.324 0.000 0.748 487 E HN 0.572 nan 8.360 nan 0.000 0.449 488 Q N -0.058 119.801 119.800 0.098 0.000 2.084 488 Q HA -0.164 4.175 4.340 -0.001 0.000 0.202 488 Q C 2.339 178.372 176.000 0.055 0.000 0.978 488 Q CA 1.400 57.246 55.803 0.072 0.000 0.844 488 Q CB -0.098 28.676 28.738 0.059 0.000 0.898 488 Q HN 0.197 nan 8.270 nan 0.000 0.426 489 R N 0.111 120.648 120.500 0.061 0.000 2.081 489 R HA -0.081 4.259 4.340 -0.001 0.000 0.235 489 R C 2.280 178.588 176.300 0.014 0.000 1.131 489 R CA 1.508 57.636 56.100 0.048 0.000 0.960 489 R CB -0.176 30.176 30.300 0.087 0.000 0.856 489 R HN 0.295 nan 8.270 nan 0.000 0.436 490 M N 0.307 119.900 119.600 -0.012 0.000 2.175 490 M HA -0.186 4.293 4.480 -0.001 0.000 0.264 490 M C 2.194 178.462 176.300 -0.053 0.000 1.063 490 M CA 1.609 56.863 55.300 -0.077 0.000 1.119 490 M CB -0.203 32.286 32.600 -0.185 0.000 1.377 490 M HN 0.214 nan 8.290 nan 0.000 0.415 491 Q N 0.052 119.857 119.800 0.009 0.000 2.096 491 Q HA -0.182 4.157 4.340 -0.001 0.000 0.204 491 Q C 1.948 177.955 176.000 0.012 0.000 0.982 491 Q CA 1.122 56.944 55.803 0.033 0.000 0.850 491 Q CB -0.104 28.676 28.738 0.070 0.000 0.901 491 Q HN 0.436 nan 8.270 nan 0.000 0.422 492 E N 0.440 120.647 120.200 0.011 0.000 2.106 492 E HA -0.134 4.215 4.350 -0.001 0.000 0.192 492 E C 1.942 178.538 176.600 -0.007 0.000 0.984 492 E CA 1.059 57.463 56.400 0.006 0.000 0.806 492 E CB -0.215 29.491 29.700 0.010 0.000 0.750 492 E HN 0.347 nan 8.360 nan 0.000 0.458 493 A N 1.215 124.021 122.820 -0.024 0.000 1.902 493 A HA -0.142 4.178 4.320 -0.001 0.000 0.217 493 A C 2.399 179.962 177.584 -0.035 0.000 1.181 493 A CA 1.098 53.112 52.037 -0.038 0.000 0.623 493 A CB -0.735 18.230 19.000 -0.059 0.000 0.818 493 A HN 0.182 nan 8.150 nan 0.000 0.443 494 L N -0.643 120.542 121.223 -0.064 0.000 2.046 494 L HA -0.222 4.118 4.340 -0.001 0.000 0.208 494 L C 2.592 179.488 176.870 0.044 0.000 1.077 494 L CA 1.778 56.574 54.840 -0.072 0.000 0.747 494 L CB -0.409 41.537 42.059 -0.188 0.000 0.896 494 L HN 0.360 nan 8.230 nan 0.000 0.432 495 K N -0.082 120.336 120.400 0.030 0.000 2.097 495 K HA -0.136 4.184 4.320 -0.001 0.000 0.206 495 K C 2.242 178.866 176.600 0.040 0.000 1.049 495 K CA 1.302 57.616 56.287 0.045 0.000 0.933 495 K CB -0.278 32.238 32.500 0.027 0.000 0.717 495 K HN 0.290 nan 8.250 nan 0.000 0.442 496 A N 1.186 124.017 122.820 0.019 0.000 1.902 496 A HA -0.188 4.131 4.320 -0.001 0.000 0.217 496 A C 2.436 180.026 177.584 0.010 0.000 1.181 496 A CA 1.483 53.520 52.037 0.001 0.000 0.623 496 A CB -0.989 17.999 19.000 -0.019 0.000 0.818 496 A HN 0.402 nan 8.150 nan 0.000 0.443 497 C N -0.938 118.388 119.300 0.043 0.000 2.432 497 C HA -0.138 4.321 4.460 -0.001 0.000 0.277 497 C C 2.916 177.958 174.990 0.086 0.000 1.249 497 C CA 1.208 60.266 59.018 0.067 0.000 1.725 497 C CB -1.451 26.387 27.740 0.163 0.000 2.028 497 C HN 0.687 nan 8.230 nan 0.000 0.477 498 Q N -0.165 119.720 119.800 0.142 0.000 2.061 498 Q HA -0.289 4.050 4.340 -0.001 0.000 0.204 498 Q C 2.192 178.263 176.000 0.117 0.000 0.984 498 Q CA 1.958 57.844 55.803 0.139 0.000 0.846 498 Q CB -0.373 28.456 28.738 0.152 0.000 0.902 498 Q HN 0.629 nan 8.270 nan 0.000 0.421 499 M N 0.381 120.024 119.600 0.071 0.000 2.065 499 M HA -0.155 4.324 4.480 -0.001 0.000 0.259 499 M C 1.956 178.272 176.300 0.027 0.000 1.069 499 M CA 1.596 56.928 55.300 0.053 0.000 1.110 499 M CB -0.446 32.166 32.600 0.020 0.000 1.328 499 M HN 0.025 nan 8.290 nan 0.000 0.405 500 V N 0.330 120.223 119.914 -0.035 0.000 2.295 500 V HA -0.324 3.796 4.120 -0.001 0.000 0.246 500 V C 2.443 178.489 176.094 -0.079 0.000 1.049 500 V CA 2.318 64.538 62.300 -0.133 0.000 1.024 500 V CB -0.769 30.952 31.823 -0.171 0.000 0.648 500 V HN 0.570 nan 8.190 nan 0.000 0.447 501 M N 0.303 119.909 119.600 0.009 0.000 2.080 501 M HA -0.281 4.199 4.480 -0.001 0.000 0.260 501 M C 2.384 178.711 176.300 0.046 0.000 1.068 501 M CA 2.521 57.856 55.300 0.059 0.000 1.109 501 M CB -0.535 32.192 32.600 0.212 0.000 1.342 501 M HN 0.561 nan 8.290 nan 0.000 0.405 502 Q N -0.139 119.775 119.800 0.190 0.000 2.123 502 Q HA -0.127 4.212 4.340 -0.001 0.000 0.199 502 Q C 1.835 178.002 176.000 0.279 0.000 0.966 502 Q CA 1.147 57.089 55.803 0.232 0.000 0.845 502 Q CB -0.643 28.339 28.738 0.407 0.000 0.907 502 Q HN 0.413 nan 8.270 nan 0.000 0.439 503 Q N 0.641 120.597 119.800 0.259 0.000 2.096 503 Q HA -0.097 4.243 4.340 -0.001 0.000 0.204 503 Q C 2.286 178.519 176.000 0.388 0.000 0.982 503 Q CA 1.817 57.839 55.803 0.365 0.000 0.850 503 Q CB -0.278 28.586 28.738 0.209 0.000 0.901 503 Q HN 0.521 nan 8.270 nan 0.000 0.422 504 S N 0.369 116.183 115.700 0.190 0.000 2.355 504 S HA -0.086 4.384 4.470 -0.001 0.000 0.222 504 S C 2.245 176.870 174.600 0.041 0.000 1.031 504 S CA 1.062 59.416 58.200 0.256 0.000 0.993 504 S CB -0.269 63.016 63.200 0.142 0.000 0.859 504 S HN 0.133 nan 8.310 nan 0.000 0.453 505 V N 0.979 120.785 119.914 -0.180 0.000 2.287 505 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 505 V C 2.042 178.094 176.094 -0.071 0.000 1.053 505 V CA 2.009 64.078 62.300 -0.384 0.000 1.027 505 V CB -0.810 30.366 31.823 -1.078 0.000 0.646 505 V HN 0.565 nan 8.190 nan 0.000 0.447 506 Y N 1.182 121.516 120.300 0.056 0.000 2.224 506 Y HA -0.234 4.316 4.550 -0.001 0.000 0.289 506 Y C 2.718 178.691 175.900 0.122 0.000 1.146 506 Y CA 2.162 60.386 58.100 0.206 0.000 1.182 506 Y CB -0.327 38.175 38.460 0.071 0.000 0.983 506 Y HN 0.097 nan 8.280 nan 0.000 0.524 507 R N -0.213 120.185 120.500 -0.170 0.000 2.090 507 R HA -0.068 4.272 4.340 -0.001 0.000 0.228 507 R C 2.103 178.074 176.300 -0.550 0.000 1.110 507 R CA 1.404 57.054 56.100 -0.750 0.000 0.973 507 R CB -0.313 29.521 30.300 -0.776 0.000 0.869 507 R HN 0.443 nan 8.270 nan 0.000 0.440 508 L N 0.243 121.285 121.223 -0.301 0.000 2.291 508 L HA -0.048 4.292 4.340 -0.001 0.000 0.214 508 L C 1.336 178.079 176.870 -0.212 0.000 1.120 508 L CA 0.784 55.412 54.840 -0.354 0.000 0.799 508 L CB 0.160 41.858 42.059 -0.602 0.000 0.925 508 L HN 0.225 nan 8.230 nan 0.000 0.446 509 L N -1.313 119.890 121.223 -0.034 0.000 3.066 509 L HA 0.226 4.566 4.340 -0.001 0.000 0.265 509 L C -0.229 176.738 176.870 0.162 0.000 1.232 509 L CA -0.107 54.817 54.840 0.140 0.000 1.031 509 L CB 0.558 42.855 42.059 0.397 0.000 1.379 509 L HN -0.023 nan 8.230 nan 0.000 0.563 510 T N 0.097 114.655 114.554 0.007 0.000 2.807 510 T HA 0.188 4.537 4.350 -0.001 0.000 0.279 510 T C -0.142 174.497 174.700 -0.100 0.000 0.993 510 T CA -0.567 61.524 62.100 -0.015 0.000 0.970 510 T CB 2.353 71.173 68.868 -0.081 0.000 0.950 510 T HN 0.018 nan 8.240 nan 0.000 0.441 511 K N 3.999 124.351 120.400 -0.080 0.000 2.504 511 K HA -0.026 4.294 4.320 -0.001 0.000 0.278 511 K C -1.703 174.870 176.600 -0.045 0.000 1.025 511 K CA -0.981 55.266 56.287 -0.067 0.000 1.093 511 K CB 0.433 32.898 32.500 -0.058 0.000 0.873 511 K HN 0.178 nan 8.250 nan 0.000 0.483 512 P HA -0.196 nan 4.420 nan 0.000 0.216 512 P C 0.734 178.045 177.300 0.018 0.000 1.150 512 P CA 1.430 64.505 63.100 -0.043 0.000 0.843 512 P CB 0.151 31.819 31.700 -0.054 0.000 0.787 513 S N -2.107 113.596 115.700 0.005 0.000 2.561 513 S HA 0.044 4.514 4.470 -0.001 0.000 0.225 513 S C 1.683 176.295 174.600 0.019 0.000 0.977 513 S CA 0.520 58.727 58.200 0.012 0.000 0.926 513 S CB -1.121 62.079 63.200 -0.001 0.000 0.769 513 S HN 0.113 nan 8.310 nan 0.000 0.533 514 I N -0.776 119.813 120.570 0.031 0.000 3.339 514 I HA 0.191 4.360 4.170 -0.001 0.000 0.285 514 I C 0.659 176.821 176.117 0.076 0.000 1.201 514 I CA -0.382 60.944 61.300 0.044 0.000 1.434 514 I CB -0.132 37.891 38.000 0.039 0.000 1.152 514 I HN 0.251 nan 8.210 nan 0.000 0.443 515 Y N 2.934 123.185 120.300 -0.081 0.000 2.865 515 Y HA -0.090 4.460 4.550 -0.001 0.000 0.338 515 Y C 0.495 176.373 175.900 -0.038 0.000 1.269 515 Y CA 0.132 58.142 58.100 -0.150 0.000 1.585 515 Y CB 0.349 38.646 38.460 -0.271 0.000 1.224 515 Y HN -0.095 nan 8.280 nan 0.000 0.554 516 S N 8.647 124.123 115.700 -0.374 0.000 2.317 516 S HA 0.355 4.825 4.470 -0.001 0.000 0.144 516 S C -2.869 171.541 174.600 -0.317 0.000 1.660 516 S CA -1.153 56.854 58.200 -0.322 0.000 1.273 516 S CB -0.105 63.028 63.200 -0.111 0.000 1.330 516 S HN 0.652 nan 8.310 nan 0.000 0.395 517 P HA 0.343 nan 4.420 nan 0.000 0.279 517 P C -1.151 175.904 177.300 -0.407 0.000 1.239 517 P CA -0.207 62.667 63.100 -0.378 0.000 0.789 517 P CB 0.840 32.229 31.700 -0.520 0.000 0.933 518 D N 2.279 122.619 120.400 -0.100 0.000 2.373 518 D HA 0.136 4.775 4.640 -0.001 0.000 0.227 518 D C 0.241 176.580 176.300 0.067 0.000 1.091 518 D CA -0.645 53.285 54.000 -0.116 0.000 0.840 518 D CB 0.285 41.044 40.800 -0.068 0.000 1.060 518 D HN 0.055 nan 8.370 nan 0.000 0.502 519 F N 1.688 121.757 119.950 0.197 0.000 2.722 519 F HA -0.057 4.469 4.527 -0.001 0.000 0.298 519 F C 2.419 178.302 175.800 0.139 0.000 1.175 519 F CA 0.455 58.575 58.000 0.199 0.000 1.462 519 F CB -0.396 38.700 39.000 0.161 0.000 1.111 519 F HN 0.358 nan 8.300 nan 0.000 0.592 520 S N -1.818 114.034 115.700 0.254 0.000 2.524 520 S HA 0.106 4.576 4.470 -0.001 0.000 0.215 520 S C 0.378 175.031 174.600 0.089 0.000 0.986 520 S CA -0.393 57.896 58.200 0.147 0.000 0.911 520 S CB -0.600 62.664 63.200 0.108 0.000 0.805 520 S HN 0.098 nan 8.310 nan 0.000 0.501 521 F N 2.909 122.805 119.950 -0.090 0.000 2.375 521 F HA 0.586 5.112 4.527 -0.001 0.000 0.333 521 F C -0.040 175.551 175.800 -0.349 0.000 1.104 521 F CA -0.598 57.216 58.000 -0.310 0.000 1.149 521 F CB 1.531 40.189 39.000 -0.570 0.000 1.190 521 F HN -0.054 nan 8.300 nan 0.000 0.533 522 S N 5.733 120.765 115.700 -1.112 0.000 2.464 522 S HA 0.160 4.629 4.470 -0.001 0.000 0.313 522 S C 0.302 174.382 174.600 -0.867 0.000 1.078 522 S CA -0.378 57.394 58.200 -0.715 0.000 1.096 522 S CB -0.141 62.745 63.200 -0.522 0.000 1.032 522 S HN 0.647 nan 8.310 nan 0.000 0.498 523 Y N 1.583 121.726 120.300 -0.262 0.000 2.314 523 Y HA 0.142 4.692 4.550 -0.001 0.000 0.293 523 Y C 0.388 175.792 175.900 -0.826 0.000 1.129 523 Y CA 0.780 58.591 58.100 -0.481 0.000 1.201 523 Y CB 0.077 38.308 38.460 -0.382 0.000 0.999 523 Y HN 0.494 nan 8.280 nan 0.000 0.541 524 F N -1.281 118.647 119.950 -0.037 0.000 2.588 524 F HA 0.459 4.985 4.527 -0.001 0.000 0.314 524 F C -0.028 175.810 175.800 0.063 0.000 1.069 524 F CA -1.516 56.517 58.000 0.054 0.000 0.931 524 F CB 1.632 40.792 39.000 0.268 0.000 1.260 524 F HN -0.396 nan 8.300 nan 0.000 0.465 525 T N 0.242 114.955 114.554 0.264 0.000 2.855 525 T HA 0.702 5.051 4.350 -0.001 0.000 0.281 525 T C -0.577 174.235 174.700 0.185 0.000 1.007 525 T CA -0.817 61.385 62.100 0.171 0.000 1.009 525 T CB 1.213 70.123 68.868 0.070 0.000 0.983 525 T HN 0.518 nan 8.240 nan 0.000 0.455 526 L N 1.930 123.196 121.223 0.071 0.000 2.439 526 L HA 0.413 4.753 4.340 -0.001 0.000 0.269 526 L C 0.104 176.964 176.870 -0.018 0.000 1.179 526 L CA -0.249 54.531 54.840 -0.099 0.000 0.828 526 L CB 0.719 42.693 42.059 -0.142 0.000 1.106 526 L HN 0.819 nan 8.230 nan 0.000 0.467 527 D N 1.391 121.754 120.400 -0.061 0.000 2.492 527 D HA 0.222 4.861 4.640 -0.001 0.000 0.248 527 D C -1.286 174.937 176.300 -0.129 0.000 1.101 527 D CA -0.392 53.573 54.000 -0.059 0.000 0.840 527 D CB 1.166 41.959 40.800 -0.013 0.000 1.209 527 D HN 0.275 nan 8.370 nan 0.000 0.524 528 D N 2.403 122.753 120.400 -0.083 0.000 2.549 528 D HA 0.197 4.836 4.640 -0.001 0.000 0.251 528 D C 0.136 176.380 176.300 -0.093 0.000 1.153 528 D CA -0.446 53.530 54.000 -0.040 0.000 0.861 528 D CB 1.954 42.837 40.800 0.138 0.000 1.207 528 D HN 0.251 nan 8.370 nan 0.000 0.543 529 S N 2.599 118.217 115.700 -0.136 0.000 2.481 529 S HA 0.011 4.480 4.470 -0.001 0.000 0.231 529 S C 1.368 175.926 174.600 -0.071 0.000 0.996 529 S CA 0.661 58.772 58.200 -0.148 0.000 0.942 529 S CB 0.369 63.469 63.200 -0.167 0.000 0.768 529 S HN 0.497 nan 8.310 nan 0.000 0.520 530 R N -0.908 119.584 120.500 -0.014 0.000 2.549 530 R HA 0.216 4.555 4.340 -0.001 0.000 0.344 530 R C -0.675 175.699 176.300 0.122 0.000 0.979 530 R CA -0.105 56.011 56.100 0.026 0.000 1.140 530 R CB 0.844 31.155 30.300 0.019 0.000 1.377 530 R HN 0.327 nan 8.270 nan 0.000 0.541 531 W N 1.401 122.650 121.300 -0.086 0.000 3.211 531 W HA 0.293 4.953 4.660 -0.001 0.000 0.335 531 W C -2.878 173.592 176.519 -0.082 0.000 1.113 531 W CA -1.983 55.297 57.345 -0.108 0.000 1.235 531 W CB 1.784 31.160 29.460 -0.141 0.000 1.365 531 W HN -0.198 nan 8.180 nan 0.000 0.476 532 P HA 0.085 nan 4.420 nan 0.000 0.225 532 P C 0.387 177.305 177.300 -0.636 0.000 1.148 532 P CA 1.857 64.064 63.100 -1.489 0.000 0.779 532 P CB 0.294 31.372 31.700 -1.038 0.000 0.780 533 G N -1.182 107.422 108.800 -0.326 0.000 2.587 533 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.686 533 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.686 533 G C -0.500 174.336 174.900 -0.106 0.000 1.236 533 G CA -0.460 44.545 45.100 -0.157 0.000 0.820 533 G HN 0.103 nan 8.290 nan 0.000 0.645 534 S N 0.067 115.745 115.700 -0.036 0.000 2.525 534 S HA 0.513 4.982 4.470 -0.001 0.000 0.285 534 S C 1.843 176.436 174.600 -0.013 0.000 1.283 534 S CA 1.938 60.147 58.200 0.015 0.000 1.072 534 S CB 0.191 63.437 63.200 0.077 0.000 0.867 534 S HN 2.727 nan 8.310 nan 0.000 0.492 535 G N 2.823 111.613 108.800 -0.017 0.000 2.179 535 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.260 535 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.260 535 G C 0.565 175.427 174.900 -0.062 0.000 0.977 535 G CA 0.364 45.441 45.100 -0.039 0.000 0.641 535 G HN 0.890 nan 8.290 nan 0.000 0.533 536 V N -0.555 119.307 119.914 -0.087 0.000 2.743 536 V HA 0.440 4.560 4.120 -0.001 0.000 0.237 536 V C 0.840 176.863 176.094 -0.119 0.000 1.113 536 V CA 1.748 63.979 62.300 -0.114 0.000 1.141 536 V CB 0.887 32.607 31.823 -0.171 0.000 0.873 536 V HN 0.467 nan 8.190 nan 0.000 0.486 537 E N 0.087 120.209 120.200 -0.131 0.000 2.304 537 E HA 0.184 4.534 4.350 -0.001 0.000 0.277 537 E C -1.654 174.908 176.600 -0.065 0.000 0.898 537 E CA -0.528 55.809 56.400 -0.105 0.000 0.764 537 E CB 1.780 31.390 29.700 -0.151 0.000 1.216 537 E HN 0.190 nan 8.360 nan 0.000 0.419 538 D N 2.799 123.183 120.400 -0.027 0.000 2.453 538 D HA 0.067 4.707 4.640 -0.001 0.000 0.223 538 D C 0.259 176.562 176.300 0.005 0.000 1.183 538 D CA 0.251 54.257 54.000 0.010 0.000 0.933 538 D CB 0.544 41.357 40.800 0.022 0.000 1.038 538 D HN 0.432 nan 8.370 nan 0.000 0.513 539 S N 2.621 118.318 115.700 -0.004 0.000 2.549 539 S HA 0.188 4.657 4.470 -0.001 0.000 0.225 539 S C 0.931 175.534 174.600 0.004 0.000 1.039 539 S CA -0.440 57.752 58.200 -0.013 0.000 0.942 539 S CB 0.660 63.831 63.200 -0.049 0.000 0.881 539 S HN 0.227 nan 8.310 nan 0.000 0.503 540 R N 1.912 122.418 120.500 0.010 0.000 2.539 540 R HA 0.459 4.799 4.340 -0.001 0.000 0.275 540 R C -0.594 175.750 176.300 0.072 0.000 1.077 540 R CA 0.048 56.139 56.100 -0.014 0.000 1.097 540 R CB 0.477 30.659 30.300 -0.197 0.000 1.018 540 R HN 0.148 nan 8.270 nan 0.000 0.483 541 T N 1.941 116.538 114.554 0.070 0.000 2.856 541 T HA 0.118 4.467 4.350 -0.001 0.000 0.292 541 T C 0.091 174.896 174.700 0.175 0.000 0.980 541 T CA -0.215 61.949 62.100 0.107 0.000 1.091 541 T CB 1.153 70.073 68.868 0.088 0.000 0.936 541 T HN 0.414 nan 8.240 nan 0.000 0.503 542 T N 3.893 118.557 114.554 0.184 0.000 2.817 542 T HA 0.346 4.696 4.350 -0.001 0.000 0.293 542 T C 0.717 175.521 174.700 0.173 0.000 0.964 542 T CA -0.441 61.788 62.100 0.216 0.000 1.085 542 T CB 0.185 69.140 68.868 0.145 0.000 0.921 542 T HN 0.409 nan 8.240 nan 0.000 0.502 543 I N 4.194 124.886 120.570 0.203 0.000 2.421 543 I HA 0.171 4.341 4.170 -0.001 0.000 0.291 543 I C 0.221 176.425 176.117 0.145 0.000 1.089 543 I CA 0.061 61.460 61.300 0.165 0.000 1.354 543 I CB 0.086 38.185 38.000 0.165 0.000 1.413 543 I HN 0.449 nan 8.210 nan 0.000 0.513 544 I N 8.055 128.695 120.570 0.118 0.000 2.304 544 I HA 0.345 4.514 4.170 -0.001 0.000 0.291 544 I C -0.170 176.009 176.117 0.104 0.000 1.018 544 I CA -0.211 61.152 61.300 0.104 0.000 1.260 544 I CB 0.601 38.649 38.000 0.080 0.000 1.390 544 I HN 0.403 nan 8.210 nan 0.000 0.475 545 L N 5.706 126.995 121.223 0.109 0.000 2.333 545 L HA 0.958 5.298 4.340 -0.001 0.000 0.263 545 L C 0.049 176.978 176.870 0.099 0.000 1.014 545 L CA -0.704 54.200 54.840 0.106 0.000 0.820 545 L CB 2.284 44.413 42.059 0.115 0.000 1.352 545 L HN 0.690 nan 8.230 nan 0.000 0.421 546 G N -0.218 108.635 108.800 0.090 0.000 2.556 546 G HA2 0.144 4.104 3.960 -0.001 0.000 0.294 546 G HA3 0.144 4.104 3.960 -0.001 0.000 0.294 546 G C -0.239 174.704 174.900 0.072 0.000 1.516 546 G CA -0.439 44.711 45.100 0.083 0.000 0.824 546 G HN 0.691 nan 8.290 nan 0.000 0.535 547 E N -0.196 120.044 120.200 0.066 0.000 2.209 547 E HA -0.144 4.206 4.350 -0.001 0.000 0.196 547 E C 0.770 177.398 176.600 0.047 0.000 0.993 547 E CA 1.427 57.859 56.400 0.053 0.000 0.819 547 E CB 0.170 29.897 29.700 0.045 0.000 0.745 547 E HN 0.440 nan 8.360 nan 0.000 0.477 548 D N -0.331 120.096 120.400 0.046 0.000 2.340 548 D HA 0.096 4.736 4.640 -0.001 0.000 0.217 548 D C 1.256 177.581 176.300 0.042 0.000 1.081 548 D CA 0.162 54.186 54.000 0.040 0.000 0.842 548 D CB 0.823 41.645 40.800 0.036 0.000 0.934 548 D HN 0.330 nan 8.370 nan 0.000 0.511 549 I N -0.817 119.784 120.570 0.050 0.000 4.079 549 I HA 0.119 4.289 4.170 -0.001 0.000 0.276 549 I C -1.258 174.895 176.117 0.061 0.000 1.146 549 I CA 0.093 61.425 61.300 0.052 0.000 1.324 549 I CB 1.306 39.338 38.000 0.053 0.000 1.638 549 I HN -0.190 nan 8.210 nan 0.000 0.436 550 L N 2.065 123.330 121.223 0.070 0.000 2.830 550 L HA 0.439 4.778 4.340 -0.001 0.000 0.259 550 L C -2.514 174.409 176.870 0.087 0.000 0.943 550 L CA -0.853 54.036 54.840 0.082 0.000 0.997 550 L CB 1.532 43.646 42.059 0.092 0.000 1.427 550 L HN -0.167 nan 8.230 nan 0.000 0.456 551 P HA 0.058 nan 4.420 nan 0.000 0.222 551 P C -0.146 177.209 177.300 0.091 0.000 1.153 551 P CA 0.887 64.035 63.100 0.081 0.000 0.798 551 P CB 0.330 32.071 31.700 0.068 0.000 0.796 552 S N -2.231 113.535 115.700 0.109 0.000 2.625 552 S HA 0.730 5.199 4.470 -0.001 0.000 0.271 552 S C -1.265 173.437 174.600 0.169 0.000 1.161 552 S CA -0.735 57.537 58.200 0.119 0.000 0.820 552 S CB 2.517 65.780 63.200 0.104 0.000 1.137 552 S HN -0.118 nan 8.310 nan 0.000 0.470 553 K N 0.544 121.049 120.400 0.176 0.000 2.535 553 K HA 0.560 4.879 4.320 -0.001 0.000 0.251 553 K C -2.025 174.737 176.600 0.271 0.000 0.942 553 K CA -0.236 56.202 56.287 0.250 0.000 0.798 553 K CB 0.975 33.583 32.500 0.181 0.000 1.267 553 K HN 0.840 nan 8.250 nan 0.000 0.434 554 H N 0.911 120.130 119.070 0.248 0.000 2.610 554 H HA 0.449 5.005 4.556 -0.001 0.000 0.336 554 H C -0.243 175.316 175.328 0.384 0.000 1.087 554 H CA -0.050 56.194 56.048 0.326 0.000 1.405 554 H CB 1.037 31.084 29.762 0.475 0.000 1.460 554 H HN 0.404 nan 8.280 nan 0.000 0.538 555 V N 1.088 121.247 119.914 0.410 0.000 2.914 555 V HA 0.789 4.908 4.120 -0.001 0.000 0.314 555 V C -0.753 175.670 176.094 0.549 0.000 1.084 555 V CA -0.864 61.680 62.300 0.406 0.000 0.963 555 V CB 2.097 33.905 31.823 -0.025 0.000 1.025 555 V HN 0.460 nan 8.190 nan 0.000 0.432 556 V N 3.864 124.123 119.914 0.576 0.000 2.709 556 V HA 0.633 4.753 4.120 -0.001 0.000 0.308 556 V C -0.507 175.929 176.094 0.570 0.000 1.062 556 V CA -0.381 62.221 62.300 0.502 0.000 0.901 556 V CB 1.867 33.837 31.823 0.245 0.000 1.003 556 V HN 0.942 nan 8.190 nan 0.000 0.425 557 M N 4.070 123.975 119.600 0.508 0.000 2.336 557 M HA 0.489 4.969 4.480 -0.001 0.000 0.342 557 M C -0.491 176.059 176.300 0.417 0.000 1.128 557 M CA -0.275 55.292 55.300 0.445 0.000 1.016 557 M CB 1.165 33.973 32.600 0.346 0.000 1.665 557 M HN 0.758 nan 8.290 nan 0.000 0.445 558 H N 1.975 121.241 119.070 0.326 0.000 2.472 558 H HA 0.480 5.035 4.556 -0.001 0.000 0.338 558 H C -1.288 174.147 175.328 0.178 0.000 1.133 558 H CA -0.562 55.639 56.048 0.255 0.000 1.216 558 H CB 1.180 31.147 29.762 0.341 0.000 1.497 558 H HN 0.647 nan 8.280 nan 0.000 0.500 559 N N 3.044 121.488 118.700 -0.426 0.000 2.569 559 N HA 0.037 4.777 4.740 -0.001 0.000 0.254 559 N C 0.316 175.489 175.510 -0.562 0.000 1.004 559 N CA -0.303 52.520 53.050 -0.379 0.000 0.904 559 N CB 1.532 39.903 38.487 -0.194 0.000 1.165 559 N HN 0.637 nan 8.380 nan 0.000 0.513 560 T N 2.852 117.127 114.554 -0.466 0.000 3.035 560 T HA 0.163 4.513 4.350 -0.001 0.000 0.268 560 T C 0.689 175.353 174.700 -0.058 0.000 1.109 560 T CA 0.491 62.486 62.100 -0.175 0.000 1.119 560 T CB -0.230 68.682 68.868 0.072 0.000 0.900 560 T HN 0.416 nan 8.240 nan 0.000 0.503 561 L N 2.836 123.973 121.223 -0.144 0.000 2.397 561 L HA 0.304 4.644 4.340 -0.001 0.000 0.271 561 L C -1.606 175.124 176.870 -0.232 0.000 1.148 561 L CA -1.907 52.816 54.840 -0.196 0.000 0.825 561 L CB 0.668 42.485 42.059 -0.404 0.000 1.117 561 L HN -0.037 nan 8.230 nan 0.000 0.456 562 P HA 0.042 nan 4.420 nan 0.000 0.235 562 P C -0.952 176.360 177.300 0.020 0.000 1.725 562 P CA 0.348 63.434 63.100 -0.023 0.000 0.894 562 P CB -0.382 31.361 31.700 0.072 0.000 1.704 563 H N -3.194 115.889 119.070 0.020 0.000 3.012 563 H HA 0.233 4.788 4.556 -0.001 0.000 0.367 563 H C -0.986 174.362 175.328 0.033 0.000 1.211 563 H CA -1.082 54.996 56.048 0.050 0.000 1.139 563 H CB -0.029 29.794 29.762 0.101 0.000 1.838 563 H HN -0.130 nan 8.280 nan 0.000 0.550 564 W N 1.765 123.162 121.300 0.162 0.000 2.314 564 W HA 0.184 4.843 4.660 -0.001 0.000 0.339 564 W C 0.931 177.550 176.519 0.166 0.000 1.293 564 W CA 0.475 57.886 57.345 0.110 0.000 1.288 564 W CB 0.399 29.910 29.460 0.086 0.000 1.186 564 W HN 0.499 nan 8.180 nan 0.000 0.566 565 R N 2.472 123.170 120.500 0.330 0.000 2.564 565 R HA 0.290 4.629 4.340 -0.001 0.000 0.284 565 R C -1.036 175.391 176.300 0.212 0.000 1.031 565 R CA -0.676 55.571 56.100 0.244 0.000 0.904 565 R CB 1.348 31.719 30.300 0.119 0.000 1.199 565 R HN 0.495 nan 8.270 nan 0.000 0.443 566 E N 2.499 122.803 120.200 0.173 0.000 2.204 566 E HA 0.248 4.598 4.350 -0.001 0.000 0.276 566 E C -1.183 175.460 176.600 0.072 0.000 0.974 566 E CA -0.751 55.725 56.400 0.128 0.000 0.815 566 E CB 2.309 32.078 29.700 0.115 0.000 1.119 566 E HN 0.391 nan 8.360 nan 0.000 0.393 567 Q N 3.021 122.839 119.800 0.031 0.000 2.352 567 Q HA 0.237 4.577 4.340 -0.001 0.000 0.270 567 Q C -1.476 174.476 176.000 -0.080 0.000 1.006 567 Q CA -0.591 55.201 55.803 -0.018 0.000 0.880 567 Q CB 1.400 30.119 28.738 -0.031 0.000 1.392 567 Q HN 0.557 nan 8.270 nan 0.000 0.401 568 L N 3.365 124.537 121.223 -0.085 0.000 2.453 568 L HA 0.297 4.636 4.340 -0.001 0.000 0.272 568 L C 0.262 176.993 176.870 -0.232 0.000 1.182 568 L CA -0.224 54.527 54.840 -0.148 0.000 0.858 568 L CB 0.462 42.472 42.059 -0.082 0.000 1.120 568 L HN 0.475 nan 8.230 nan 0.000 0.474 569 V N -0.428 119.243 119.914 -0.404 0.000 2.914 569 V HA 0.706 4.825 4.120 -0.001 0.000 0.314 569 V C -0.869 174.953 176.094 -0.453 0.000 1.084 569 V CA -0.873 61.146 62.300 -0.469 0.000 0.963 569 V CB 2.175 33.665 31.823 -0.554 0.000 1.025 569 V HN 0.797 nan 8.190 nan 0.000 0.432 570 D N 1.498 121.625 120.400 -0.455 0.000 2.601 570 D HA 0.637 5.277 4.640 -0.001 0.000 0.230 570 D C -1.391 174.585 176.300 -0.540 0.000 1.106 570 D CA -0.413 53.424 54.000 -0.271 0.000 0.873 570 D CB 2.455 43.194 40.800 -0.101 0.000 1.515 570 D HN 0.452 nan 8.370 nan 0.000 0.468 571 F N -0.203 119.794 119.950 0.078 0.000 2.599 571 F HA 0.331 4.858 4.527 -0.001 0.000 0.311 571 F C -0.583 175.350 175.800 0.221 0.000 1.076 571 F CA -1.066 56.988 58.000 0.089 0.000 0.937 571 F CB 1.549 40.651 39.000 0.170 0.000 1.282 571 F HN 0.144 nan 8.300 nan 0.000 0.460 572 Y N 2.178 122.634 120.300 0.259 0.000 2.335 572 Y HA 0.541 5.090 4.550 -0.001 0.000 0.331 572 Y C 0.227 176.247 175.900 0.200 0.000 1.094 572 Y CA -1.430 56.772 58.100 0.171 0.000 1.253 572 Y CB 0.764 39.276 38.460 0.087 0.000 1.203 572 Y HN 0.344 nan 8.280 nan 0.000 0.508 573 V N -0.404 119.715 119.914 0.342 0.000 2.962 573 V HA 0.564 4.683 4.120 -0.001 0.000 0.313 573 V C 0.395 176.638 176.094 0.248 0.000 1.099 573 V CA -0.667 61.797 62.300 0.272 0.000 0.971 573 V CB 1.718 33.701 31.823 0.267 0.000 1.028 573 V HN 0.670 nan 8.190 nan 0.000 0.430 574 S N 0.392 116.218 115.700 0.210 0.000 2.562 574 S HA 0.200 4.669 4.470 -0.001 0.000 0.221 574 S C 0.763 175.545 174.600 0.303 0.000 0.975 574 S CA 0.573 58.888 58.200 0.191 0.000 0.918 574 S CB -0.139 63.138 63.200 0.128 0.000 0.772 574 S HN 1.381 nan 8.310 nan 0.000 0.531 575 S N 1.292 117.161 115.700 0.282 0.000 2.549 575 S HA 0.590 5.059 4.470 -0.001 0.000 0.280 575 S C -2.580 171.930 174.600 -0.150 0.000 1.109 575 S CA -1.507 56.731 58.200 0.063 0.000 0.905 575 S CB 1.942 65.184 63.200 0.070 0.000 1.081 575 S HN 0.011 nan 8.310 nan 0.000 0.477 576 P HA 0.173 nan 4.420 nan 0.000 0.236 576 P C -0.201 176.939 177.300 -0.266 0.000 1.177 576 P CA 0.365 63.099 63.100 -0.609 0.000 0.773 576 P CB -0.182 30.892 31.700 -1.044 0.000 0.878 577 F N 0.707 120.676 119.950 0.031 0.000 2.509 577 F HA 0.258 4.785 4.527 -0.001 0.000 0.344 577 F C 0.506 176.357 175.800 0.086 0.000 1.197 577 F CA -1.011 57.038 58.000 0.081 0.000 1.294 577 F CB -0.186 38.824 39.000 0.016 0.000 1.643 577 F HN -0.329 nan 8.300 nan 0.000 0.596 578 V N 0.927 120.977 119.914 0.227 0.000 2.709 578 V HA 0.679 4.799 4.120 -0.001 0.000 0.308 578 V C -0.326 175.838 176.094 0.116 0.000 1.062 578 V CA -0.848 61.544 62.300 0.154 0.000 0.901 578 V CB 2.348 34.254 31.823 0.138 0.000 1.003 578 V HN 0.498 nan 8.190 nan 0.000 0.425 579 S N 2.845 118.593 115.700 0.081 0.000 2.599 579 S HA 0.896 5.365 4.470 -0.001 0.000 0.294 579 S C -1.024 173.560 174.600 -0.027 0.000 1.094 579 S CA -0.822 57.405 58.200 0.044 0.000 0.931 579 S CB 2.096 65.341 63.200 0.075 0.000 1.093 579 S HN 0.447 nan 8.310 nan 0.000 0.488 580 V N 1.890 121.750 119.914 -0.090 0.000 2.555 580 V HA 0.800 4.919 4.120 -0.001 0.000 0.302 580 V C 0.058 176.060 176.094 -0.152 0.000 1.038 580 V CA -0.451 61.715 62.300 -0.223 0.000 0.887 580 V CB 1.600 33.100 31.823 -0.538 0.000 0.991 580 V HN 1.202 nan 8.190 nan 0.000 0.434 581 T N -0.406 114.076 114.554 -0.120 0.000 2.906 581 T HA 0.658 5.008 4.350 -0.001 0.000 0.295 581 T C -0.792 173.886 174.700 -0.036 0.000 1.075 581 T CA -0.912 61.142 62.100 -0.077 0.000 1.005 581 T CB 2.058 70.874 68.868 -0.086 0.000 1.136 581 T HN 0.710 nan 8.240 nan 0.000 0.498 582 D N 0.519 120.876 120.400 -0.073 0.000 2.478 582 D HA 0.185 4.824 4.640 -0.001 0.000 0.269 582 D C 0.904 177.065 176.300 -0.230 0.000 1.232 582 D CA -1.230 52.609 54.000 -0.267 0.000 1.059 582 D CB 0.430 41.062 40.800 -0.281 0.000 1.104 582 D HN 0.453 nan 8.370 nan 0.000 0.566 583 L N -0.894 120.174 121.223 -0.259 0.000 2.599 583 L HA 0.218 4.557 4.340 -0.001 0.000 0.230 583 L C 1.656 178.450 176.870 -0.126 0.000 1.141 583 L CA 0.454 55.188 54.840 -0.177 0.000 0.877 583 L CB -0.353 41.610 42.059 -0.160 0.000 1.009 583 L HN 0.587 nan 8.230 nan 0.000 0.447 584 A N -0.763 121.987 122.820 -0.117 0.000 2.307 584 A HA 0.074 4.393 4.320 -0.001 0.000 0.218 584 A C 1.147 178.686 177.584 -0.075 0.000 1.228 584 A CA 0.378 52.364 52.037 -0.084 0.000 0.857 584 A CB -0.406 18.551 19.000 -0.072 0.000 0.897 584 A HN 0.581 nan 8.150 nan 0.000 0.495 585 N N -0.077 118.571 118.700 -0.087 0.000 2.782 585 N HA -0.144 4.595 4.740 -0.001 0.000 0.251 585 N C -1.026 174.441 175.510 -0.072 0.000 1.101 585 N CA 0.898 53.904 53.050 -0.074 0.000 0.764 585 N CB -1.940 36.514 38.487 -0.054 0.000 1.122 585 N HN 0.554 nan 8.380 nan 0.000 0.561 586 N N 1.446 120.100 118.700 -0.077 0.000 2.470 586 N HA 0.209 4.948 4.740 -0.001 0.000 0.268 586 N C -2.457 172.986 175.510 -0.112 0.000 1.136 586 N CA -0.688 52.312 53.050 -0.083 0.000 0.961 586 N CB 0.526 38.975 38.487 -0.063 0.000 1.067 586 N HN 0.295 nan 8.380 nan 0.000 0.468 587 P HA 0.032 nan 4.420 nan 0.000 0.269 587 P C -0.438 176.726 177.300 -0.226 0.000 1.209 587 P CA -0.053 62.867 63.100 -0.300 0.000 0.776 587 P CB 0.771 32.015 31.700 -0.761 0.000 0.876 588 V N 2.683 122.510 119.914 -0.145 0.000 2.487 588 V HA 0.204 4.323 4.120 -0.001 0.000 0.298 588 V C 0.605 176.694 176.094 -0.009 0.000 1.028 588 V CA -0.855 61.420 62.300 -0.043 0.000 0.860 588 V CB 1.330 33.154 31.823 0.003 0.000 0.991 588 V HN 0.570 nan 8.190 nan 0.000 0.427 589 E N 2.870 123.103 120.200 0.056 0.000 2.465 589 E HA 0.384 4.734 4.350 -0.001 0.000 0.260 589 E C -0.173 176.499 176.600 0.121 0.000 0.980 589 E CA 0.155 56.619 56.400 0.107 0.000 0.927 589 E CB 0.756 30.523 29.700 0.112 0.000 0.934 589 E HN 0.875 nan 8.360 nan 0.000 0.459 590 A N 4.418 127.298 122.820 0.100 0.000 2.479 590 A HA 0.444 4.764 4.320 -0.001 0.000 0.296 590 A C -1.222 176.385 177.584 0.037 0.000 1.121 590 A CA -0.694 51.411 52.037 0.113 0.000 0.743 590 A CB 1.968 21.026 19.000 0.097 0.000 1.323 590 A HN 0.662 nan 8.150 nan 0.000 0.415 591 Q N 0.765 120.595 119.800 0.048 0.000 2.347 591 Q HA 0.644 4.983 4.340 -0.001 0.000 0.271 591 Q C -2.047 173.954 176.000 0.002 0.000 1.064 591 Q CA -0.550 55.240 55.803 -0.020 0.000 0.800 591 Q CB 2.229 30.991 28.738 0.039 0.000 1.304 591 Q HN 0.572 nan 8.270 nan 0.000 0.438 592 V N 2.603 122.455 119.914 -0.102 0.000 2.459 592 V HA 0.570 4.689 4.120 -0.001 0.000 0.295 592 V C -0.540 175.735 176.094 0.303 0.000 1.029 592 V CA -0.313 62.038 62.300 0.084 0.000 0.874 592 V CB 1.799 33.648 31.823 0.043 0.000 0.985 592 V HN 0.838 nan 8.190 nan 0.000 0.438 593 S N 5.239 121.137 115.700 0.330 0.000 2.599 593 S HA 0.689 5.158 4.470 -0.001 0.000 0.294 593 S C -2.756 171.898 174.600 0.090 0.000 1.094 593 S CA -1.196 57.177 58.200 0.289 0.000 0.931 593 S CB 2.368 65.695 63.200 0.213 0.000 1.093 593 S HN 0.539 nan 8.310 nan 0.000 0.488 594 P HA 0.217 nan 4.420 nan 0.000 0.273 594 P C -1.129 175.877 177.300 -0.489 0.000 1.250 594 P CA -0.483 62.243 63.100 -0.624 0.000 0.793 594 P CB 0.339 31.278 31.700 -1.268 0.000 1.011 595 V N 1.572 121.138 119.914 -0.580 0.000 2.348 595 V HA 0.190 4.310 4.120 -0.001 0.000 0.270 595 V C -0.497 175.302 176.094 -0.492 0.000 1.037 595 V CA -0.191 61.841 62.300 -0.446 0.000 0.872 595 V CB -0.415 31.064 31.823 -0.572 0.000 1.002 595 V HN 0.514 nan 8.190 nan 0.000 0.464 596 W N 3.432 124.662 121.300 -0.117 0.000 2.433 596 W HA 0.639 5.298 4.660 -0.001 0.000 0.315 596 W C 0.404 176.864 176.519 -0.098 0.000 1.087 596 W CA -0.383 56.878 57.345 -0.140 0.000 1.205 596 W CB 1.856 31.239 29.460 -0.129 0.000 1.288 596 W HN 0.584 nan 8.180 nan 0.000 0.504 597 S N 1.397 117.152 115.700 0.092 0.000 2.526 597 S HA 0.608 5.078 4.470 -0.001 0.000 0.293 597 S C -1.408 173.049 174.600 -0.237 0.000 1.092 597 S CA -0.975 57.219 58.200 -0.009 0.000 0.980 597 S CB 1.190 64.358 63.200 -0.052 0.000 1.048 597 S HN 0.412 nan 8.310 nan 0.000 0.483 598 W N 1.575 122.680 121.300 -0.325 0.000 2.438 598 W HA 0.557 5.217 4.660 -0.001 0.000 0.324 598 W C 0.367 176.523 176.519 -0.605 0.000 1.119 598 W CA -0.139 57.015 57.345 -0.320 0.000 1.221 598 W CB 0.904 30.265 29.460 -0.165 0.000 1.253 598 W HN 0.623 nan 8.180 nan 0.000 0.555 599 H N 1.394 120.496 119.070 0.054 0.000 2.759 599 H HA 0.085 4.640 4.556 -0.001 0.000 0.354 599 H C -1.076 174.268 175.328 0.027 0.000 1.074 599 H CA -0.987 55.045 56.048 -0.027 0.000 1.226 599 H CB 1.708 31.362 29.762 -0.181 0.000 1.648 599 H HN 0.381 nan 8.280 nan 0.000 0.529 600 H N 2.485 121.619 119.070 0.107 0.000 3.015 600 H HA 0.021 4.576 4.556 -0.001 0.000 0.268 600 H C -0.395 174.989 175.328 0.094 0.000 1.113 600 H CA -0.179 55.925 56.048 0.093 0.000 1.479 600 H CB 0.150 29.952 29.762 0.067 0.000 1.493 600 H HN 0.422 nan 8.280 nan 0.000 0.486 601 D N 3.902 124.213 120.400 -0.149 0.000 2.402 601 D HA -0.042 4.597 4.640 -0.001 0.000 0.235 601 D C 0.915 176.986 176.300 -0.382 0.000 1.226 601 D CA 0.150 54.071 54.000 -0.133 0.000 0.918 601 D CB 0.349 41.258 40.800 0.180 0.000 1.043 601 D HN 0.776 nan 8.370 nan 0.000 0.506 602 T N 1.037 115.341 114.554 -0.417 0.000 3.155 602 T HA -0.066 4.283 4.350 -0.001 0.000 0.264 602 T C 1.685 176.308 174.700 -0.129 0.000 1.160 602 T CA 0.180 62.085 62.100 -0.324 0.000 1.075 602 T CB 0.148 68.923 68.868 -0.155 0.000 0.921 602 T HN 0.290 nan 8.240 nan 0.000 0.533 603 L N 1.630 122.797 121.223 -0.094 0.000 2.262 603 L HA 0.121 4.460 4.340 -0.001 0.000 0.197 603 L C 2.924 179.780 176.870 -0.023 0.000 1.073 603 L CA 1.908 56.723 54.840 -0.041 0.000 0.800 603 L CB -1.204 40.838 42.059 -0.029 0.000 0.987 603 L HN 0.528 nan 8.230 nan 0.000 0.470 604 T N -4.061 110.485 114.554 -0.014 0.000 3.081 604 T HA 0.002 4.351 4.350 -0.001 0.000 0.255 604 T C 0.793 175.512 174.700 0.031 0.000 1.113 604 T CA -0.141 61.961 62.100 0.003 0.000 1.082 604 T CB 0.132 68.995 68.868 -0.009 0.000 0.939 604 T HN 0.087 nan 8.240 nan 0.000 0.506 605 K N 2.085 122.501 120.400 0.027 0.000 3.096 605 K HA -0.128 4.191 4.320 -0.001 0.000 0.266 605 K C 0.126 176.837 176.600 0.185 0.000 1.043 605 K CA 1.267 57.623 56.287 0.114 0.000 0.758 605 K CB -2.877 29.691 32.500 0.114 0.000 1.260 605 K HN 0.875 nan 8.250 nan 0.000 0.481 606 T N -2.708 111.966 114.554 0.200 0.000 2.916 606 T HA 0.796 5.145 4.350 -0.001 0.000 0.292 606 T C 0.298 175.228 174.700 0.384 0.000 1.055 606 T CA -1.067 61.190 62.100 0.262 0.000 1.009 606 T CB 2.189 71.176 68.868 0.200 0.000 1.118 606 T HN 0.151 nan 8.240 nan 0.000 0.497 607 I N 3.331 124.121 120.570 0.367 0.000 2.328 607 I HA 0.498 4.667 4.170 -0.001 0.000 0.287 607 I C -0.197 176.229 176.117 0.515 0.000 1.012 607 I CA -0.676 60.858 61.300 0.390 0.000 1.195 607 I CB 0.411 38.582 38.000 0.286 0.000 1.350 607 I HN 0.923 nan 8.210 nan 0.000 0.464 608 H N 5.901 125.152 119.070 0.301 0.000 3.016 608 H HA 0.666 5.222 4.556 -0.001 0.000 0.362 608 H C -3.169 171.938 175.328 -0.368 0.000 1.233 608 H CA -2.441 53.598 56.048 -0.014 0.000 1.124 608 H CB 1.901 31.661 29.762 -0.004 0.000 1.850 608 H HN 0.147 nan 8.280 nan 0.000 0.549 609 P HA 0.188 nan 4.420 nan 0.000 0.288 609 P C -0.967 176.280 177.300 -0.088 0.000 1.267 609 P CA -0.618 61.950 63.100 -0.886 0.000 0.815 609 P CB 1.676 32.565 31.700 -1.350 0.000 0.989 610 Q N 1.073 120.923 119.800 0.084 0.000 2.309 610 Q HA 0.560 4.900 4.340 -0.001 0.000 0.264 610 Q C 0.272 176.333 176.000 0.101 0.000 1.008 610 Q CA -0.524 55.378 55.803 0.166 0.000 0.853 610 Q CB 2.636 31.431 28.738 0.094 0.000 1.314 610 Q HN 0.572 nan 8.270 nan 0.000 0.448 611 G N 0.735 109.457 108.800 -0.129 0.000 2.348 611 G HA2 0.291 4.251 3.960 -0.001 0.000 0.312 611 G HA3 0.291 4.251 3.960 -0.001 0.000 0.312 611 G C -0.231 174.418 174.900 -0.418 0.000 1.126 611 G CA -0.330 44.383 45.100 -0.644 0.000 0.865 611 G HN 0.445 nan 8.290 nan 0.000 0.474 612 S N 0.035 115.448 115.700 -0.478 0.000 2.562 612 S HA 0.230 4.699 4.470 -0.001 0.000 0.281 612 S C 1.632 176.003 174.600 -0.381 0.000 1.333 612 S CA 0.374 58.333 58.200 -0.402 0.000 1.052 612 S CB 0.608 63.510 63.200 -0.498 0.000 0.884 612 S HN 0.918 nan 8.310 nan 0.000 0.506 613 T N 0.143 114.539 114.554 -0.263 0.000 3.105 613 T HA 0.155 4.504 4.350 -0.001 0.000 0.253 613 T C 1.069 175.666 174.700 -0.171 0.000 1.047 613 T CA 0.444 62.447 62.100 -0.161 0.000 0.944 613 T CB -0.203 68.618 68.868 -0.078 0.000 1.016 613 T HN 0.698 nan 8.240 nan 0.000 0.544 614 T N -1.373 112.987 114.554 -0.322 0.000 3.016 614 T HA 0.345 4.695 4.350 -0.001 0.000 0.271 614 T C 0.118 174.580 174.700 -0.397 0.000 0.968 614 T CA -0.518 61.433 62.100 -0.247 0.000 0.891 614 T CB 0.121 68.897 68.868 -0.153 0.000 1.149 614 T HN 0.677 nan 8.240 nan 0.000 0.524 615 K N -0.180 119.732 120.400 -0.814 0.000 2.575 615 K HA 0.633 4.952 4.320 -0.001 0.000 0.279 615 K C -2.186 173.639 176.600 -1.292 0.000 0.969 615 K CA -1.035 54.755 56.287 -0.828 0.000 0.868 615 K CB 1.434 33.674 32.500 -0.433 0.000 1.457 615 K HN 0.091 nan 8.250 nan 0.000 0.426 616 Y N -0.347 119.881 120.300 -0.120 0.000 2.588 616 Y HA 0.481 5.030 4.550 -0.001 0.000 0.343 616 Y C -0.528 175.402 175.900 0.051 0.000 1.065 616 Y CA -1.144 56.919 58.100 -0.063 0.000 1.038 616 Y CB 2.235 40.718 38.460 0.038 0.000 1.297 616 Y HN 0.355 nan 8.280 nan 0.000 0.467 617 R N 1.738 122.384 120.500 0.244 0.000 2.294 617 R HA 0.573 4.912 4.340 -0.001 0.000 0.319 617 R C -1.190 175.284 176.300 0.289 0.000 0.984 617 R CA -0.608 55.676 56.100 0.308 0.000 0.861 617 R CB 1.589 32.044 30.300 0.260 0.000 1.104 617 R HN 0.661 nan 8.270 nan 0.000 0.451 618 I N 4.332 125.093 120.570 0.318 0.000 2.412 618 I HA 0.418 4.588 4.170 -0.001 0.000 0.296 618 I C -0.989 175.314 176.117 0.310 0.000 0.987 618 I CA -0.735 60.744 61.300 0.297 0.000 1.180 618 I CB 0.989 39.175 38.000 0.310 0.000 1.340 618 I HN 0.542 nan 8.210 nan 0.000 0.455 619 I N 8.151 128.874 120.570 0.255 0.000 2.498 619 I HA 0.494 4.663 4.170 -0.001 0.000 0.290 619 I C -1.041 175.224 176.117 0.247 0.000 1.032 619 I CA -0.522 60.876 61.300 0.163 0.000 1.073 619 I CB 1.675 39.730 38.000 0.092 0.000 1.251 619 I HN 0.499 nan 8.210 nan 0.000 0.426 620 F N 2.907 122.878 119.950 0.036 0.000 2.686 620 F HA 0.571 5.097 4.527 -0.001 0.000 0.311 620 F C -1.046 174.733 175.800 -0.035 0.000 1.128 620 F CA -1.301 56.698 58.000 -0.002 0.000 0.946 620 F CB 1.353 40.339 39.000 -0.023 0.000 1.336 620 F HN 0.229 nan 8.300 nan 0.000 0.457 621 K N 2.145 122.624 120.400 0.131 0.000 2.285 621 K HA 0.723 5.042 4.320 -0.001 0.000 0.286 621 K C -0.600 176.032 176.600 0.053 0.000 1.072 621 K CA -0.333 55.971 56.287 0.028 0.000 0.913 621 K CB 0.769 33.319 32.500 0.084 0.000 1.067 621 K HN 0.940 nan 8.250 nan 0.000 0.479 622 A N 4.683 127.436 122.820 -0.111 0.000 2.310 622 A HA 0.382 4.701 4.320 -0.001 0.000 0.299 622 A C -0.571 177.133 177.584 0.200 0.000 1.147 622 A CA -0.635 51.401 52.037 -0.002 0.000 0.818 622 A CB 0.604 19.556 19.000 -0.081 0.000 1.096 622 A HN 0.888 nan 8.150 nan 0.000 0.495 623 R N 1.978 122.715 120.500 0.394 0.000 2.439 623 R HA 0.608 4.947 4.340 -0.001 0.000 0.310 623 R C -1.920 174.638 176.300 0.429 0.000 0.955 623 R CA -0.249 56.074 56.100 0.371 0.000 0.853 623 R CB 1.400 31.903 30.300 0.339 0.000 1.171 623 R HN 0.503 nan 8.270 nan 0.000 0.449 624 V N 6.024 126.146 119.914 0.348 0.000 2.709 624 V HA 0.468 4.587 4.120 -0.001 0.000 0.308 624 V C -2.277 173.722 176.094 -0.159 0.000 1.062 624 V CA -2.279 60.117 62.300 0.160 0.000 0.901 624 V CB 1.923 33.812 31.823 0.109 0.000 1.003 624 V HN 0.784 nan 8.190 nan 0.000 0.425 625 P HA 0.234 nan 4.420 nan 0.000 0.271 625 P C -2.762 174.034 177.300 -0.840 0.000 1.244 625 P CA -1.458 60.726 63.100 -1.526 0.000 0.793 625 P CB -0.281 30.715 31.700 -1.173 0.000 0.984 626 P HA 0.095 nan 4.420 nan 0.000 0.267 626 P C 0.128 177.373 177.300 -0.092 0.000 1.205 626 P CA 0.572 63.465 63.100 -0.344 0.000 0.765 626 P CB -0.235 31.334 31.700 -0.219 0.000 0.828 627 M N 0.327 119.915 119.600 -0.020 0.000 2.253 627 M HA -0.215 4.264 4.480 -0.001 0.000 0.199 627 M C 0.578 177.068 176.300 0.317 0.000 0.342 627 M CA 1.010 56.439 55.300 0.216 0.000 0.417 627 M CB -1.999 30.812 32.600 0.351 0.000 1.338 627 M HN 0.593 nan 8.290 nan 0.000 0.920 628 G N -0.249 108.593 108.800 0.071 0.000 3.176 628 G HA2 0.929 4.889 3.960 -0.001 0.000 0.272 628 G HA3 0.929 4.889 3.960 -0.001 0.000 0.272 628 G C -1.360 173.659 174.900 0.198 0.000 1.349 628 G CA -0.961 44.153 45.100 0.023 0.000 0.953 628 G HN 0.171 nan 8.290 nan 0.000 0.559 629 L N -0.387 120.937 121.223 0.169 0.000 2.388 629 L HA 0.789 5.129 4.340 -0.001 0.000 0.264 629 L C -0.216 176.745 176.870 0.151 0.000 0.998 629 L CA -1.006 53.963 54.840 0.215 0.000 0.817 629 L CB 2.452 44.643 42.059 0.221 0.000 1.338 629 L HN 0.751 nan 8.230 nan 0.000 0.414 630 A N 0.909 123.859 122.820 0.217 0.000 2.422 630 A HA 0.815 5.134 4.320 -0.001 0.000 0.302 630 A C -0.770 176.961 177.584 0.245 0.000 1.041 630 A CA -0.458 51.693 52.037 0.189 0.000 0.708 630 A CB 1.723 20.882 19.000 0.265 0.000 1.257 630 A HN 0.556 nan 8.150 nan 0.000 0.414 631 T N 2.196 116.788 114.554 0.065 0.000 2.795 631 T HA 0.631 4.981 4.350 -0.001 0.000 0.282 631 T C -1.062 173.544 174.700 -0.156 0.000 0.980 631 T CA 0.264 62.443 62.100 0.132 0.000 1.012 631 T CB 0.277 69.227 68.868 0.136 0.000 0.936 631 T HN 0.435 nan 8.240 nan 0.000 0.457 632 Y N 0.510 120.887 120.300 0.129 0.000 2.602 632 Y HA 0.679 5.229 4.550 -0.001 0.000 0.342 632 Y C -0.275 175.531 175.900 -0.155 0.000 1.029 632 Y CA -1.161 56.927 58.100 -0.020 0.000 1.080 632 Y CB 1.700 40.168 38.460 0.012 0.000 1.284 632 Y HN 0.302 nan 8.280 nan 0.000 0.485 633 V N 3.096 122.956 119.914 -0.089 0.000 2.588 633 V HA 0.431 4.551 4.120 -0.001 0.000 0.304 633 V C -0.781 175.243 176.094 -0.115 0.000 1.042 633 V CA -0.963 61.223 62.300 -0.191 0.000 0.877 633 V CB 1.769 33.417 31.823 -0.291 0.000 0.996 633 V HN 0.502 nan 8.190 nan 0.000 0.425 634 L N 3.945 125.129 121.223 -0.064 0.000 2.296 634 L HA 0.696 5.035 4.340 -0.001 0.000 0.286 634 L C -0.120 176.762 176.870 0.021 0.000 1.023 634 L CA -0.106 54.714 54.840 -0.032 0.000 0.812 634 L CB 1.840 43.893 42.059 -0.011 0.000 1.223 634 L HN 0.622 nan 8.230 nan 0.000 0.421 635 T N 3.727 118.298 114.554 0.030 0.000 2.848 635 T HA 0.454 4.804 4.350 -0.001 0.000 0.285 635 T C -0.291 174.457 174.700 0.079 0.000 0.995 635 T CA -0.382 61.750 62.100 0.053 0.000 0.970 635 T CB 2.319 71.209 68.868 0.036 0.000 0.976 635 T HN 0.378 nan 8.240 nan 0.000 0.441 636 I N 3.198 123.824 120.570 0.093 0.000 2.581 636 I HA 0.551 4.720 4.170 -0.001 0.000 0.288 636 I C 0.326 176.507 176.117 0.106 0.000 1.047 636 I CA 0.187 61.558 61.300 0.118 0.000 1.374 636 I CB 0.738 38.811 38.000 0.121 0.000 1.423 636 I HN 0.827 nan 8.210 nan 0.000 0.549 637 S N 2.803 118.582 115.700 0.132 0.000 2.697 637 S HA 0.387 4.857 4.470 -0.001 0.000 0.289 637 S C -0.036 174.599 174.600 0.058 0.000 1.149 637 S CA -0.400 57.847 58.200 0.077 0.000 0.850 637 S CB 1.531 64.759 63.200 0.048 0.000 1.151 637 S HN 0.687 nan 8.310 nan 0.000 0.491 638 D N 0.468 120.846 120.400 -0.037 0.000 2.289 638 D HA 0.138 4.778 4.640 -0.001 0.000 0.207 638 D C 0.990 177.048 176.300 -0.403 0.000 0.966 638 D CA 0.861 54.799 54.000 -0.104 0.000 0.868 638 D CB -0.253 40.499 40.800 -0.080 0.000 0.943 638 D HN 0.640 nan 8.370 nan 0.000 0.514 639 S N -1.558 113.841 115.700 -0.502 0.000 2.720 639 S HA 0.404 4.873 4.470 -0.001 0.000 0.287 639 S C -0.603 173.632 174.600 -0.609 0.000 1.168 639 S CA -1.266 56.417 58.200 -0.863 0.000 0.832 639 S CB 1.468 64.396 63.200 -0.453 0.000 1.166 639 S HN -0.073 nan 8.310 nan 0.000 0.493 640 K N 1.936 122.071 120.400 -0.441 0.000 2.466 640 K HA 0.169 4.488 4.320 -0.001 0.000 0.278 640 K C -2.406 174.237 176.600 0.072 0.000 1.048 640 K CA -0.528 55.796 56.287 0.061 0.000 1.088 640 K CB -0.629 31.933 32.500 0.104 0.000 0.884 640 K HN 0.392 nan 8.250 nan 0.000 0.478 641 P HA 0.024 nan 4.420 nan 0.000 0.274 641 P C 0.558 177.888 177.300 0.050 0.000 1.231 641 P CA -0.399 62.758 63.100 0.094 0.000 0.790 641 P CB 0.756 32.534 31.700 0.129 0.000 0.951 642 E N 0.965 121.152 120.200 -0.022 0.000 2.118 642 E HA -0.247 4.103 4.350 -0.001 0.000 0.195 642 E C 0.551 176.982 176.600 -0.283 0.000 0.992 642 E CA 1.230 57.518 56.400 -0.187 0.000 0.804 642 E CB -0.046 29.466 29.700 -0.314 0.000 0.741 642 E HN 0.490 nan 8.360 nan 0.000 0.458 643 H N -0.785 118.299 119.070 0.023 0.000 2.505 643 H HA 0.210 4.766 4.556 -0.001 0.000 0.289 643 H C -0.363 174.963 175.328 -0.004 0.000 1.052 643 H CA 0.227 56.282 56.048 0.013 0.000 1.156 643 H CB 0.734 30.502 29.762 0.010 0.000 1.507 643 H HN -0.046 nan 8.280 nan 0.000 0.548 644 T N 1.529 116.111 114.554 0.046 0.000 2.792 644 T HA 0.311 4.661 4.350 -0.001 0.000 0.280 644 T C 0.336 174.912 174.700 -0.206 0.000 0.990 644 T CA -0.699 61.356 62.100 -0.076 0.000 0.960 644 T CB 2.130 70.946 68.868 -0.087 0.000 0.939 644 T HN 0.259 nan 8.240 nan 0.000 0.439 645 S N 2.348 117.883 115.700 -0.275 0.000 2.718 645 S HA 0.781 5.251 4.470 -0.001 0.000 0.300 645 S C -1.368 172.880 174.600 -0.587 0.000 1.117 645 S CA -0.820 57.233 58.200 -0.245 0.000 1.002 645 S CB 0.840 64.012 63.200 -0.046 0.000 1.092 645 S HN 0.576 nan 8.310 nan 0.000 0.542 646 Y N -0.066 120.252 120.300 0.030 0.000 2.391 646 Y HA 0.649 5.198 4.550 -0.001 0.000 0.341 646 Y C 0.543 176.507 175.900 0.107 0.000 0.965 646 Y CA -0.829 57.281 58.100 0.016 0.000 1.067 646 Y CB 1.657 40.002 38.460 -0.192 0.000 1.199 646 Y HN 1.026 nan 8.280 nan 0.000 0.450 647 A N 2.077 125.097 122.820 0.334 0.000 2.407 647 A HA 0.499 4.819 4.320 -0.001 0.000 0.248 647 A C 0.086 177.869 177.584 0.331 0.000 1.082 647 A CA -0.371 51.841 52.037 0.291 0.000 0.785 647 A CB 0.085 19.250 19.000 0.275 0.000 1.020 647 A HN 0.705 nan 8.150 nan 0.000 0.489 648 S N 1.567 117.396 115.700 0.215 0.000 2.601 648 S HA 0.370 4.839 4.470 -0.001 0.000 0.271 648 S C -0.047 174.647 174.600 0.158 0.000 1.305 648 S CA -0.666 57.644 58.200 0.182 0.000 1.022 648 S CB 0.423 63.689 63.200 0.110 0.000 0.940 648 S HN 0.739 nan 8.310 nan 0.000 0.525 649 N N 1.192 119.967 118.700 0.125 0.000 2.295 649 N HA 0.478 5.218 4.740 -0.001 0.000 0.293 649 N C -1.753 173.701 175.510 -0.093 0.000 1.040 649 N CA -0.568 52.508 53.050 0.044 0.000 0.840 649 N CB 2.235 40.833 38.487 0.185 0.000 1.468 649 N HN 0.345 nan 8.380 nan 0.000 0.478 650 L N 2.400 123.523 121.223 -0.167 0.000 2.404 650 L HA 0.498 4.838 4.340 -0.001 0.000 0.272 650 L C -1.616 175.099 176.870 -0.258 0.000 0.980 650 L CA -0.672 54.043 54.840 -0.208 0.000 0.836 650 L CB 1.422 43.415 42.059 -0.109 0.000 1.238 650 L HN 0.445 nan 8.230 nan 0.000 0.408 651 L N 5.904 126.920 121.223 -0.346 0.000 2.257 651 L HA 0.530 4.869 4.340 -0.001 0.000 0.290 651 L C -1.126 175.730 176.870 -0.023 0.000 1.044 651 L CA 0.023 54.736 54.840 -0.212 0.000 0.810 651 L CB 0.889 42.831 42.059 -0.195 0.000 1.193 651 L HN 0.594 nan 8.230 nan 0.000 0.425 652 L N 6.890 128.113 121.223 -0.000 0.000 2.264 652 L HA 0.632 4.972 4.340 -0.001 0.000 0.287 652 L C -0.435 176.479 176.870 0.073 0.000 1.039 652 L CA -0.525 54.343 54.840 0.046 0.000 0.829 652 L CB 0.479 42.556 42.059 0.028 0.000 1.211 652 L HN 0.707 nan 8.230 nan 0.000 0.427 653 R N 1.963 122.517 120.500 0.090 0.000 2.664 653 R HA 0.438 4.777 4.340 -0.001 0.000 0.260 653 R C -1.525 174.812 176.300 0.061 0.000 1.062 653 R CA -1.066 55.080 56.100 0.077 0.000 0.902 653 R CB 1.165 31.511 30.300 0.077 0.000 1.258 653 R HN 0.107 nan 8.270 nan 0.000 0.465 654 K N 1.726 122.152 120.400 0.043 0.000 2.355 654 K HA 0.069 4.388 4.320 -0.001 0.000 0.270 654 K C -0.108 176.494 176.600 0.002 0.000 1.003 654 K CA -0.283 56.018 56.287 0.024 0.000 0.957 654 K CB 0.281 32.794 32.500 0.022 0.000 0.939 654 K HN 0.837 nan 8.250 nan 0.000 0.482 655 N N 0.729 119.417 118.700 -0.019 0.000 2.746 655 N HA -0.104 4.636 4.740 -0.001 0.000 0.250 655 N C -2.597 172.862 175.510 -0.086 0.000 1.055 655 N CA 0.121 53.142 53.050 -0.049 0.000 0.699 655 N CB -0.800 37.663 38.487 -0.040 0.000 0.919 655 N HN 0.424 nan 8.380 nan 0.000 0.548 656 P HA 0.310 nan 4.420 nan 0.000 0.277 656 P C -0.281 176.824 177.300 -0.326 0.000 1.240 656 P CA -0.069 62.911 63.100 -0.200 0.000 0.798 656 P CB 1.019 32.573 31.700 -0.243 0.000 0.979 657 T N -2.458 111.893 114.554 -0.339 0.000 2.916 657 T HA 0.487 4.837 4.350 -0.001 0.000 0.292 657 T C 0.212 174.692 174.700 -0.367 0.000 1.055 657 T CA -0.788 61.123 62.100 -0.315 0.000 1.009 657 T CB 0.664 69.429 68.868 -0.172 0.000 1.118 657 T HN 0.461 nan 8.240 nan 0.000 0.497 658 S N 0.934 116.486 115.700 -0.248 0.000 2.566 658 S HA 0.329 4.798 4.470 -0.001 0.000 0.280 658 S C -0.177 174.527 174.600 0.173 0.000 1.343 658 S CA -0.713 57.461 58.200 -0.043 0.000 1.036 658 S CB -0.360 62.840 63.200 -0.001 0.000 0.866 658 S HN 0.682 nan 8.310 nan 0.000 0.526 659 L N 3.098 124.547 121.223 0.378 0.000 2.462 659 L HA 0.395 4.735 4.340 -0.001 0.000 0.255 659 L C -2.230 174.755 176.870 0.192 0.000 1.076 659 L CA -1.747 53.272 54.840 0.298 0.000 0.920 659 L CB 1.722 44.035 42.059 0.423 0.000 1.214 659 L HN 0.615 nan 8.230 nan 0.000 0.472 660 P HA 0.198 nan 4.420 nan 0.000 0.274 660 P C -0.343 176.960 177.300 0.005 0.000 1.231 660 P CA -0.234 62.906 63.100 0.066 0.000 0.790 660 P CB 1.669 33.397 31.700 0.046 0.000 0.951 661 L N 1.459 122.694 121.223 0.020 0.000 3.059 661 L HA 0.288 4.627 4.340 -0.001 0.000 0.298 661 L C 1.489 178.425 176.870 0.108 0.000 1.304 661 L CA -0.302 54.528 54.840 -0.017 0.000 0.855 661 L CB 0.124 42.148 42.059 -0.057 0.000 1.266 661 L HN 0.706 nan 8.230 nan 0.000 0.572 662 G N 0.723 109.565 108.800 0.070 0.000 2.690 662 G HA2 -0.428 3.531 3.960 -0.001 0.000 0.334 662 G HA3 -0.428 3.531 3.960 -0.001 0.000 0.334 662 G C 0.705 175.677 174.900 0.120 0.000 1.250 662 G CA 0.884 46.051 45.100 0.112 0.000 0.994 662 G HN 0.489 nan 8.290 nan 0.000 0.549 663 Q N -0.565 119.318 119.800 0.139 0.000 2.451 663 Q HA 0.163 4.503 4.340 -0.001 0.000 0.206 663 Q C 0.649 176.510 176.000 -0.231 0.000 0.947 663 Q CA -0.111 55.653 55.803 -0.065 0.000 0.937 663 Q CB 0.199 28.822 28.738 -0.192 0.000 1.025 663 Q HN 0.503 nan 8.270 nan 0.000 0.511 664 Y N 2.900 123.034 120.300 -0.276 0.000 2.805 664 Y HA -0.065 4.485 4.550 -0.001 0.000 0.331 664 Y C -1.439 174.323 175.900 -0.230 0.000 1.241 664 Y CA -1.358 56.550 58.100 -0.320 0.000 1.546 664 Y CB 0.823 39.227 38.460 -0.093 0.000 1.248 664 Y HN 0.085 nan 8.280 nan 0.000 0.559 665 P HA -0.083 nan 4.420 nan 0.000 0.225 665 P C -0.608 176.527 177.300 -0.276 0.000 1.156 665 P CA 1.154 63.980 63.100 -0.456 0.000 0.787 665 P CB 0.480 31.792 31.700 -0.647 0.000 0.802 666 E N 0.985 121.030 120.200 -0.258 0.000 2.166 666 E HA 0.199 4.549 4.350 -0.001 0.000 0.275 666 E C -0.458 176.257 176.600 0.193 0.000 0.941 666 E CA -0.597 55.814 56.400 0.018 0.000 0.784 666 E CB 1.216 30.962 29.700 0.076 0.000 1.115 666 E HN 0.061 nan 8.360 nan 0.000 0.399 667 D N 1.504 121.980 120.400 0.126 0.000 2.389 667 D HA 0.066 4.706 4.640 -0.001 0.000 0.247 667 D C 0.169 176.539 176.300 0.118 0.000 1.128 667 D CA -0.139 53.942 54.000 0.135 0.000 0.884 667 D CB 1.133 41.998 40.800 0.109 0.000 1.194 667 D HN 0.043 nan 8.370 nan 0.000 0.441 668 V N 3.842 123.814 119.914 0.097 0.000 2.673 668 V HA -0.059 4.060 4.120 -0.001 0.000 0.303 668 V C 0.962 176.909 176.094 -0.245 0.000 1.046 668 V CA 0.213 62.465 62.300 -0.079 0.000 1.126 668 V CB 0.289 32.027 31.823 -0.140 0.000 0.934 668 V HN 0.296 nan 8.190 nan 0.000 0.487 669 K N 3.706 123.908 120.400 -0.330 0.000 2.123 669 K HA 0.652 4.972 4.320 -0.001 0.000 0.248 669 K C -0.941 175.303 176.600 -0.592 0.000 0.969 669 K CA -0.319 55.809 56.287 -0.265 0.000 0.882 669 K CB 1.696 34.148 32.500 -0.082 0.000 1.080 669 K HN 0.424 nan 8.250 nan 0.000 0.441 670 F N -1.009 118.955 119.950 0.023 0.000 2.593 670 F HA 0.663 5.190 4.527 -0.001 0.000 0.320 670 F C 0.566 176.371 175.800 0.009 0.000 1.060 670 F CA -0.644 57.361 58.000 0.008 0.000 0.940 670 F CB 2.687 41.691 39.000 0.006 0.000 1.268 670 F HN 0.610 nan 8.300 nan 0.000 0.475 671 G N 0.321 109.236 108.800 0.191 0.000 2.632 671 G HA2 0.393 4.352 3.960 -0.001 0.000 0.292 671 G HA3 0.393 4.352 3.960 -0.001 0.000 0.292 671 G C -2.165 172.791 174.900 0.092 0.000 1.465 671 G CA -0.882 44.285 45.100 0.112 0.000 0.824 671 G HN 0.373 nan 8.290 nan 0.000 0.509 672 D N 0.941 121.382 120.400 0.068 0.000 2.400 672 D HA 0.341 4.981 4.640 -0.001 0.000 0.238 672 D C -1.941 174.392 176.300 0.054 0.000 1.157 672 D CA -0.429 53.604 54.000 0.056 0.000 0.889 672 D CB 0.835 41.661 40.800 0.044 0.000 1.199 672 D HN 0.025 nan 8.370 nan 0.000 0.436 673 P HA 0.074 nan 4.420 nan 0.000 0.265 673 P C -0.411 176.920 177.300 0.052 0.000 1.187 673 P CA 0.399 63.532 63.100 0.055 0.000 0.766 673 P CB 0.434 32.169 31.700 0.058 0.000 0.820 674 R N 0.294 120.827 120.500 0.055 0.000 2.712 674 R HA 0.432 4.772 4.340 -0.001 0.000 0.272 674 R C -1.176 175.165 176.300 0.070 0.000 1.032 674 R CA -1.029 55.104 56.100 0.055 0.000 0.874 674 R CB 1.096 31.424 30.300 0.046 0.000 1.256 674 R HN 0.225 nan 8.270 nan 0.000 0.468 675 E N 1.329 121.571 120.200 0.070 0.000 2.373 675 E HA 0.269 4.618 4.350 -0.001 0.000 0.267 675 E C -0.128 176.532 176.600 0.101 0.000 1.032 675 E CA -0.211 56.246 56.400 0.095 0.000 0.889 675 E CB 0.908 30.650 29.700 0.070 0.000 0.984 675 E HN 0.428 nan 8.360 nan 0.000 0.425 676 I N -1.768 118.896 120.570 0.158 0.000 2.934 676 I HA 0.587 4.756 4.170 -0.001 0.000 0.306 676 I C -0.594 175.673 176.117 0.249 0.000 1.110 676 I CA -0.706 60.688 61.300 0.156 0.000 1.019 676 I CB 2.400 40.459 38.000 0.099 0.000 1.227 676 I HN 0.195 nan 8.210 nan 0.000 0.434 677 S N 3.677 119.494 115.700 0.194 0.000 2.536 677 S HA 0.868 5.337 4.470 -0.001 0.000 0.287 677 S C -1.113 173.606 174.600 0.198 0.000 1.101 677 S CA -0.573 57.752 58.200 0.209 0.000 0.950 677 S CB 0.990 64.263 63.200 0.121 0.000 1.056 677 S HN 0.634 nan 8.310 nan 0.000 0.481 678 L N 3.201 124.569 121.223 0.243 0.000 2.409 678 L HA 0.690 5.029 4.340 -0.001 0.000 0.262 678 L C -0.437 176.528 176.870 0.159 0.000 0.992 678 L CA -0.765 54.188 54.840 0.189 0.000 0.817 678 L CB 2.411 44.597 42.059 0.212 0.000 1.350 678 L HN 0.583 nan 8.230 nan 0.000 0.411 679 R N 1.602 122.172 120.500 0.117 0.000 2.515 679 R HA 0.634 4.973 4.340 -0.001 0.000 0.291 679 R C -1.936 174.412 176.300 0.080 0.000 1.046 679 R CA -0.480 55.676 56.100 0.094 0.000 0.914 679 R CB 2.256 32.602 30.300 0.077 0.000 1.191 679 R HN 0.397 nan 8.270 nan 0.000 0.435 680 V N 4.634 124.593 119.914 0.076 0.000 2.427 680 V HA 0.528 4.647 4.120 -0.001 0.000 0.286 680 V C 1.161 177.287 176.094 0.054 0.000 1.034 680 V CA 0.609 62.948 62.300 0.065 0.000 0.893 680 V CB 1.108 32.971 31.823 0.067 0.000 0.982 680 V HN 1.104 nan 8.190 nan 0.000 0.452 681 G N 4.888 113.718 108.800 0.049 0.000 2.614 681 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.303 681 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.303 681 G C 0.634 175.556 174.900 0.036 0.000 1.270 681 G CA 0.700 45.825 45.100 0.042 0.000 0.988 681 G HN 0.706 nan 8.290 nan 0.000 0.551 682 N N 2.371 121.089 118.700 0.029 0.000 2.383 682 N HA 0.144 4.884 4.740 -0.001 0.000 0.192 682 N C 1.399 176.921 175.510 0.019 0.000 1.141 682 N CA 0.700 53.763 53.050 0.022 0.000 0.851 682 N CB 0.260 38.757 38.487 0.016 0.000 0.976 682 N HN 0.760 nan 8.380 nan 0.000 0.465 683 G N 2.264 111.080 108.800 0.026 0.000 2.525 683 G HA2 0.132 4.091 3.960 -0.001 0.000 0.276 683 G HA3 0.132 4.091 3.960 -0.001 0.000 0.276 683 G C -2.287 172.625 174.900 0.021 0.000 1.388 683 G CA -0.563 44.552 45.100 0.024 0.000 1.050 683 G HN 0.006 nan 8.290 nan 0.000 0.520 684 P HA 0.185 nan 4.420 nan 0.000 0.272 684 P C -0.464 176.856 177.300 0.033 0.000 1.230 684 P CA 0.042 63.148 63.100 0.010 0.000 0.788 684 P CB 0.740 32.441 31.700 0.002 0.000 0.949 685 T N 2.435 117.005 114.554 0.027 0.000 2.749 685 T HA 0.460 4.810 4.350 -0.001 0.000 0.287 685 T C 0.001 174.740 174.700 0.064 0.000 0.970 685 T CA -0.358 61.783 62.100 0.069 0.000 0.980 685 T CB 0.064 68.985 68.868 0.089 0.000 0.924 685 T HN 0.173 nan 8.240 nan 0.000 0.456 686 L N 2.735 124.004 121.223 0.077 0.000 2.322 686 L HA 0.785 5.125 4.340 -0.001 0.000 0.281 686 L C 0.156 176.975 176.870 -0.085 0.000 1.014 686 L CA -1.167 53.641 54.840 -0.054 0.000 0.815 686 L CB 1.560 43.570 42.059 -0.081 0.000 1.247 686 L HN 0.636 nan 8.230 nan 0.000 0.421 687 A N 3.165 125.845 122.820 -0.232 0.000 2.337 687 A HA 0.884 5.204 4.320 -0.001 0.000 0.329 687 A C -1.212 176.161 177.584 -0.352 0.000 1.146 687 A CA -0.308 51.653 52.037 -0.127 0.000 0.800 687 A CB 0.875 19.849 19.000 -0.044 0.000 1.220 687 A HN 0.502 nan 8.150 nan 0.000 0.472 688 F N 0.724 120.721 119.950 0.078 0.000 2.563 688 F HA 0.533 5.060 4.527 -0.001 0.000 0.316 688 F C 1.066 176.918 175.800 0.088 0.000 1.076 688 F CA -0.346 57.716 58.000 0.104 0.000 0.921 688 F CB 2.133 41.196 39.000 0.105 0.000 1.209 688 F HN 0.676 nan 8.300 nan 0.000 0.462 689 S N 0.014 115.884 115.700 0.284 0.000 2.608 689 S HA 0.093 4.562 4.470 -0.001 0.000 0.261 689 S C 1.048 175.756 174.600 0.181 0.000 1.314 689 S CA -0.040 58.273 58.200 0.188 0.000 0.992 689 S CB 0.658 63.967 63.200 0.182 0.000 0.935 689 S HN 0.855 nan 8.310 nan 0.000 0.564 690 E N -0.130 120.144 120.200 0.124 0.000 2.409 690 E HA -0.204 4.145 4.350 -0.001 0.000 0.198 690 E C 1.298 177.962 176.600 0.107 0.000 1.024 690 E CA 1.015 57.477 56.400 0.102 0.000 0.861 690 E CB -0.417 29.328 29.700 0.074 0.000 0.788 690 E HN 0.774 nan 8.360 nan 0.000 0.521 691 Q N 0.012 119.890 119.800 0.130 0.000 2.320 691 Q HA 0.208 4.547 4.340 -0.001 0.000 0.201 691 Q C 0.783 176.872 176.000 0.149 0.000 0.910 691 Q CA 0.438 56.316 55.803 0.126 0.000 0.946 691 Q CB 0.987 29.801 28.738 0.126 0.000 1.062 691 Q HN 0.481 nan 8.270 nan 0.000 0.503 692 G N 0.490 109.400 108.800 0.183 0.000 2.137 692 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.237 692 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.237 692 G C -0.335 174.786 174.900 0.368 0.000 1.002 692 G CA -0.209 45.004 45.100 0.188 0.000 0.702 692 G HN 0.249 nan 8.290 nan 0.000 0.515 693 L N -0.229 121.251 121.223 0.428 0.000 2.334 693 L HA 0.683 5.023 4.340 -0.001 0.000 0.276 693 L C 0.760 177.913 176.870 0.472 0.000 1.014 693 L CA -1.384 53.744 54.840 0.480 0.000 0.815 693 L CB 1.647 43.888 42.059 0.304 0.000 1.268 693 L HN 0.134 nan 8.230 nan 0.000 0.428 694 L N 2.938 124.410 121.223 0.416 0.000 2.578 694 L HA -0.056 4.283 4.340 -0.001 0.000 0.279 694 L C 0.817 177.736 176.870 0.081 0.000 1.227 694 L CA 1.176 56.016 54.840 -0.000 0.000 0.900 694 L CB 0.107 42.192 42.059 0.042 0.000 1.144 694 L HN 0.617 nan 8.230 nan 0.000 0.496 695 K N 1.490 121.861 120.400 -0.048 0.000 2.424 695 K HA 0.239 4.558 4.320 -0.001 0.000 0.198 695 K C -0.250 176.306 176.600 -0.074 0.000 1.190 695 K CA 0.633 56.924 56.287 0.006 0.000 0.935 695 K CB 0.573 33.066 32.500 -0.011 0.000 1.087 695 K HN 0.809 nan 8.250 nan 0.000 0.524 696 S N -0.180 115.447 115.700 -0.123 0.000 2.565 696 S HA 0.545 5.014 4.470 -0.001 0.000 0.269 696 S C -1.122 173.424 174.600 -0.090 0.000 1.153 696 S CA -1.012 57.138 58.200 -0.084 0.000 0.835 696 S CB 1.481 64.678 63.200 -0.005 0.000 1.122 696 S HN 0.049 nan 8.310 nan 0.000 0.462 697 I N 1.417 121.950 120.570 -0.061 0.000 2.466 697 I HA 0.440 4.609 4.170 -0.001 0.000 0.289 697 I C -0.537 175.544 176.117 -0.059 0.000 1.026 697 I CA -0.364 60.901 61.300 -0.058 0.000 1.078 697 I CB 2.105 40.058 38.000 -0.078 0.000 1.249 697 I HN 0.720 nan 8.210 nan 0.000 0.429 698 Q N 6.125 125.881 119.800 -0.075 0.000 2.372 698 Q HA 0.411 4.750 4.340 -0.001 0.000 0.259 698 Q C 0.103 176.032 176.000 -0.118 0.000 0.993 698 Q CA -0.504 55.182 55.803 -0.196 0.000 0.854 698 Q CB 1.589 30.063 28.738 -0.440 0.000 1.231 698 Q HN 0.783 nan 8.270 nan 0.000 0.462 699 L N 2.071 123.231 121.223 -0.105 0.000 2.056 699 L HA -0.031 4.308 4.340 -0.001 0.000 0.207 699 L C 1.226 178.061 176.870 -0.057 0.000 1.078 699 L CA 1.299 56.099 54.840 -0.068 0.000 0.749 699 L CB -0.307 41.715 42.059 -0.062 0.000 0.901 699 L HN 0.673 nan 8.230 nan 0.000 0.433 700 T N -6.492 108.019 114.554 -0.072 0.000 2.864 700 T HA 0.215 4.564 4.350 -0.001 0.000 0.289 700 T C 0.580 175.243 174.700 -0.062 0.000 1.082 700 T CA -0.847 61.221 62.100 -0.052 0.000 1.009 700 T CB 1.811 70.653 68.868 -0.042 0.000 1.234 700 T HN -0.155 nan 8.240 nan 0.000 0.526 701 Q N 1.056 120.835 119.800 -0.035 0.000 2.096 701 Q HA -0.183 4.156 4.340 -0.001 0.000 0.208 701 Q C 1.898 177.875 176.000 -0.037 0.000 0.993 701 Q CA 2.611 58.399 55.803 -0.025 0.000 0.862 701 Q CB -0.437 28.297 28.738 -0.007 0.000 0.915 701 Q HN 0.945 nan 8.270 nan 0.000 0.416 702 D N -0.376 120.001 120.400 -0.038 0.000 2.249 702 D HA -0.053 4.586 4.640 -0.001 0.000 0.205 702 D C 0.673 176.938 176.300 -0.058 0.000 0.962 702 D CA 0.486 54.465 54.000 -0.035 0.000 0.860 702 D CB -0.054 40.732 40.800 -0.022 0.000 0.955 702 D HN 0.081 nan 8.370 nan 0.000 0.505 703 S N 1.252 116.901 115.700 -0.085 0.000 2.580 703 S HA 0.257 4.726 4.470 -0.001 0.000 0.266 703 S C -2.451 172.056 174.600 -0.155 0.000 1.354 703 S CA -1.081 57.059 58.200 -0.100 0.000 1.008 703 S CB 0.477 63.619 63.200 -0.097 0.000 0.898 703 S HN -0.051 nan 8.310 nan 0.000 0.555 704 P HA 0.161 nan 4.420 nan 0.000 0.272 704 P C -0.527 176.658 177.300 -0.191 0.000 1.230 704 P CA -0.172 62.871 63.100 -0.096 0.000 0.788 704 P CB 0.157 31.840 31.700 -0.029 0.000 0.949 705 H N 0.470 119.527 119.070 -0.021 0.000 2.969 705 H HA 0.149 4.704 4.556 -0.001 0.000 0.269 705 H C -0.194 175.106 175.328 -0.046 0.000 1.223 705 H CA -0.355 55.673 56.048 -0.034 0.000 1.400 705 H CB -0.168 29.577 29.762 -0.029 0.000 1.500 705 H HN 0.101 nan 8.280 nan 0.000 0.486 706 V N 6.790 126.702 119.914 -0.003 0.000 2.470 706 V HA 0.042 4.161 4.120 -0.001 0.000 0.276 706 V C -1.861 174.191 176.094 -0.069 0.000 1.040 706 V CA -1.467 60.812 62.300 -0.037 0.000 1.008 706 V CB 0.634 32.421 31.823 -0.059 0.000 0.990 706 V HN 0.533 nan 8.190 nan 0.000 0.477 707 P HA 0.139 nan 4.420 nan 0.000 0.261 707 P C -0.775 176.391 177.300 -0.223 0.000 1.203 707 P CA 0.317 63.301 63.100 -0.193 0.000 0.767 707 P CB 0.396 31.882 31.700 -0.357 0.000 0.785 708 V N 4.272 124.081 119.914 -0.176 0.000 2.498 708 V HA 0.216 4.336 4.120 -0.001 0.000 0.283 708 V C -0.712 175.278 176.094 -0.173 0.000 1.015 708 V CA -0.459 61.716 62.300 -0.208 0.000 0.867 708 V CB 1.155 32.843 31.823 -0.225 0.000 1.025 708 V HN 0.531 nan 8.190 nan 0.000 0.441 709 H N 4.541 123.449 119.070 -0.270 0.000 2.511 709 H HA 0.670 5.226 4.556 -0.001 0.000 0.328 709 H C -1.172 174.027 175.328 -0.215 0.000 1.044 709 H CA -0.791 55.144 56.048 -0.188 0.000 1.212 709 H CB 1.048 30.743 29.762 -0.112 0.000 1.428 709 H HN 0.394 nan 8.280 nan 0.000 0.483 710 F N 3.975 123.580 119.950 -0.575 0.000 2.399 710 F HA 0.359 4.885 4.527 -0.001 0.000 0.342 710 F C 0.424 175.668 175.800 -0.928 0.000 1.106 710 F CA 0.006 57.635 58.000 -0.618 0.000 1.196 710 F CB 0.899 39.671 39.000 -0.380 0.000 1.163 710 F HN 0.479 nan 8.300 nan 0.000 0.547 711 K N 3.139 123.275 120.400 -0.439 0.000 2.523 711 K HA 0.509 4.829 4.320 -0.001 0.000 0.257 711 K C -1.976 174.385 176.600 -0.399 0.000 0.932 711 K CA -0.569 55.534 56.287 -0.306 0.000 0.812 711 K CB 1.325 33.737 32.500 -0.148 0.000 1.326 711 K HN 0.391 nan 8.250 nan 0.000 0.433 712 F N 3.932 123.817 119.950 -0.108 0.000 2.436 712 F HA 0.499 5.026 4.527 -0.001 0.000 0.340 712 F C -0.398 175.366 175.800 -0.061 0.000 1.113 712 F CA -0.597 57.349 58.000 -0.090 0.000 1.022 712 F CB 1.216 40.145 39.000 -0.117 0.000 1.128 712 F HN 0.242 nan 8.300 nan 0.000 0.466 713 L N 2.643 123.915 121.223 0.081 0.000 2.277 713 L HA 0.647 4.986 4.340 -0.001 0.000 0.254 713 L C -1.170 175.697 176.870 -0.006 0.000 1.044 713 L CA -1.028 53.809 54.840 -0.005 0.000 0.842 713 L CB 2.241 44.235 42.059 -0.108 0.000 1.422 713 L HN 0.485 nan 8.230 nan 0.000 0.422 714 K N -0.434 119.923 120.400 -0.073 0.000 2.427 714 K HA 0.651 4.971 4.320 -0.001 0.000 0.252 714 K C -1.794 174.742 176.600 -0.107 0.000 0.931 714 K CA -0.804 55.470 56.287 -0.021 0.000 0.793 714 K CB 1.697 34.214 32.500 0.029 0.000 1.211 714 K HN 0.235 nan 8.250 nan 0.000 0.426 715 Y N 0.643 121.002 120.300 0.099 0.000 2.376 715 Y HA 0.514 5.063 4.550 -0.001 0.000 0.325 715 Y C 1.050 177.004 175.900 0.091 0.000 1.199 715 Y CA 0.086 58.256 58.100 0.117 0.000 1.206 715 Y CB 2.051 40.649 38.460 0.229 0.000 1.229 715 Y HN 0.913 nan 8.280 nan 0.000 0.480 716 G N 0.478 109.421 108.800 0.238 0.000 2.938 716 G HA2 0.626 4.585 3.960 -0.001 0.000 0.258 716 G HA3 0.626 4.585 3.960 -0.001 0.000 0.258 716 G C -1.457 173.513 174.900 0.117 0.000 1.356 716 G CA -0.748 44.435 45.100 0.138 0.000 1.052 716 G HN 0.434 nan 8.290 nan 0.000 0.550 717 V N -0.135 119.814 119.914 0.057 0.000 2.769 717 V HA 0.460 4.579 4.120 -0.001 0.000 0.312 717 V C 0.042 176.118 176.094 -0.029 0.000 1.061 717 V CA -0.871 61.441 62.300 0.020 0.000 0.931 717 V CB 1.883 33.722 31.823 0.027 0.000 1.010 717 V HN 0.681 nan 8.190 nan 0.000 0.433 718 R N 1.402 121.860 120.500 -0.069 0.000 2.590 718 R HA 0.156 4.496 4.340 -0.001 0.000 0.274 718 R C 1.307 177.515 176.300 -0.153 0.000 1.061 718 R CA 0.465 56.477 56.100 -0.146 0.000 1.081 718 R CB 0.551 30.748 30.300 -0.172 0.000 0.984 718 R HN 0.933 nan 8.270 nan 0.000 0.448 719 S N 1.370 116.927 115.700 -0.237 0.000 2.470 719 S HA -0.065 4.405 4.470 -0.001 0.000 0.225 719 S C 0.246 174.798 174.600 -0.079 0.000 1.006 719 S CA 0.288 58.408 58.200 -0.134 0.000 0.934 719 S CB -0.337 62.832 63.200 -0.052 0.000 0.778 719 S HN 0.803 nan 8.310 nan 0.000 0.517 720 H N -1.568 117.504 119.070 0.002 0.000 2.821 720 H HA 0.775 5.331 4.556 -0.001 0.000 0.373 720 H C 0.636 175.961 175.328 -0.004 0.000 1.165 720 H CA -0.634 55.414 56.048 -0.001 0.000 1.154 720 H CB 0.872 30.633 29.762 -0.001 0.000 1.765 720 H HN 0.351 nan 8.280 nan 0.000 0.549 721 G N 0.794 109.664 108.800 0.116 0.000 2.593 721 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.237 721 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.237 721 G C -1.041 173.864 174.900 0.009 0.000 1.312 721 G CA -0.193 44.940 45.100 0.056 0.000 0.896 721 G HN 0.852 nan 8.290 nan 0.000 0.574 722 D N 1.311 121.708 120.400 -0.005 0.000 2.424 722 D HA 0.458 5.098 4.640 -0.001 0.000 0.244 722 D C 1.056 177.340 176.300 -0.028 0.000 1.134 722 D CA 0.447 54.437 54.000 -0.017 0.000 0.881 722 D CB 0.602 41.389 40.800 -0.022 0.000 1.191 722 D HN 0.509 nan 8.370 nan 0.000 0.445 723 R N 0.847 121.335 120.500 -0.021 0.000 2.407 723 R HA 0.335 4.675 4.340 -0.001 0.000 0.303 723 R C 0.154 176.448 176.300 -0.009 0.000 0.981 723 R CA -0.597 55.494 56.100 -0.015 0.000 0.905 723 R CB 1.169 31.467 30.300 -0.003 0.000 1.099 723 R HN 0.280 nan 8.270 nan 0.000 0.459 724 S N 0.668 116.370 115.700 0.004 0.000 2.558 724 S HA 0.303 4.773 4.470 -0.001 0.000 0.288 724 S C 0.430 175.049 174.600 0.032 0.000 1.318 724 S CA 0.144 58.363 58.200 0.031 0.000 1.056 724 S CB 1.061 64.309 63.200 0.081 0.000 0.853 724 S HN 0.785 nan 8.310 nan 0.000 0.505 725 G N 0.065 108.885 108.800 0.033 0.000 2.947 725 G HA2 0.598 4.557 3.960 -0.001 0.000 0.293 725 G HA3 0.598 4.557 3.960 -0.001 0.000 0.293 725 G C 0.591 175.502 174.900 0.018 0.000 1.243 725 G CA -0.135 44.987 45.100 0.038 0.000 0.802 725 G HN 0.706 nan 8.290 nan 0.000 0.560 726 A N -1.226 121.580 122.820 -0.023 0.000 1.978 726 A HA 0.068 4.387 4.320 -0.001 0.000 0.220 726 A C 1.950 179.412 177.584 -0.202 0.000 1.170 726 A CA 2.049 54.002 52.037 -0.141 0.000 0.636 726 A CB -0.658 18.173 19.000 -0.281 0.000 0.810 726 A HN 0.591 nan 8.150 nan 0.000 0.448 727 Y N -0.740 119.511 120.300 -0.082 0.000 2.266 727 Y HA 0.334 4.884 4.550 -0.001 0.000 0.294 727 Y C 0.878 176.683 175.900 -0.158 0.000 1.127 727 Y CA 0.040 58.026 58.100 -0.191 0.000 1.140 727 Y CB -0.198 37.805 38.460 -0.763 0.000 1.071 727 Y HN 0.019 nan 8.280 nan 0.000 0.525 728 L N 0.624 121.819 121.223 -0.048 0.000 2.312 728 L HA 0.207 4.546 4.340 -0.001 0.000 0.281 728 L C -1.110 175.811 176.870 0.086 0.000 1.070 728 L CA -0.557 54.254 54.840 -0.048 0.000 0.805 728 L CB 0.883 42.862 42.059 -0.134 0.000 1.174 728 L HN 0.035 nan 8.230 nan 0.000 0.434 729 F N 5.092 124.985 119.950 -0.095 0.000 2.332 729 F HA 0.482 5.009 4.527 -0.001 0.000 0.368 729 F C -0.700 175.020 175.800 -0.134 0.000 1.110 729 F CA -1.161 56.743 58.000 -0.160 0.000 1.087 729 F CB 0.609 39.447 39.000 -0.271 0.000 1.235 729 F HN 0.220 nan 8.300 nan 0.000 0.470 730 L N 9.097 130.205 121.223 -0.192 0.000 2.556 730 L HA 0.338 4.678 4.340 -0.001 0.000 0.243 730 L C -2.341 174.348 176.870 -0.301 0.000 1.331 730 L CA -1.752 52.930 54.840 -0.264 0.000 0.927 730 L CB 0.976 42.971 42.059 -0.106 0.000 1.219 730 L HN 0.388 nan 8.230 nan 0.000 0.490 731 P HA 0.031 nan 4.420 nan 0.000 0.272 731 P C -0.441 176.776 177.300 -0.139 0.000 1.223 731 P CA -0.270 62.645 63.100 -0.310 0.000 0.784 731 P CB 0.554 31.963 31.700 -0.485 0.000 0.923 732 N N 1.210 119.894 118.700 -0.027 0.000 3.259 732 N HA 0.260 5.000 4.740 -0.001 0.000 0.308 732 N C 0.663 176.180 175.510 0.012 0.000 1.334 732 N CA -0.106 52.928 53.050 -0.027 0.000 1.202 732 N CB -0.925 37.546 38.487 -0.027 0.000 1.485 732 N HN 0.740 nan 8.380 nan 0.000 0.549 733 G N 0.758 109.565 108.800 0.011 0.000 2.655 733 G HA2 -0.159 3.800 3.960 -0.001 0.000 0.680 733 G HA3 -0.159 3.800 3.960 -0.001 0.000 0.680 733 G C -3.044 171.928 174.900 0.121 0.000 1.302 733 G CA -1.098 44.026 45.100 0.040 0.000 0.872 733 G HN 0.378 nan 8.290 nan 0.000 0.540 734 P HA 0.450 nan 4.420 nan 0.000 0.268 734 P C 0.551 177.813 177.300 -0.063 0.000 1.208 734 P CA 0.657 63.819 63.100 0.103 0.000 0.777 734 P CB 0.375 32.103 31.700 0.047 0.000 0.875 735 A N 2.166 124.756 122.820 -0.384 0.000 2.466 735 A HA 0.356 4.675 4.320 -0.001 0.000 0.238 735 A C 0.202 177.634 177.584 -0.252 0.000 1.074 735 A CA 0.304 51.959 52.037 -0.638 0.000 0.774 735 A CB -0.302 18.049 19.000 -1.082 0.000 1.015 735 A HN 0.487 nan 8.150 nan 0.000 0.498 736 S N 2.511 118.105 115.700 -0.177 0.000 2.509 736 S HA 0.565 5.034 4.470 -0.001 0.000 0.297 736 S C -2.694 171.871 174.600 -0.058 0.000 1.118 736 S CA -1.064 57.088 58.200 -0.081 0.000 1.074 736 S CB 1.236 64.411 63.200 -0.042 0.000 1.038 736 S HN 0.565 nan 8.310 nan 0.000 0.498 737 P HA 0.059 nan 4.420 nan 0.000 0.265 737 P C -0.636 176.675 177.300 0.018 0.000 1.193 737 P CA -0.218 62.885 63.100 0.005 0.000 0.765 737 P CB 0.257 31.971 31.700 0.023 0.000 0.823 738 V N 4.261 124.199 119.914 0.040 0.000 2.585 738 V HA -0.036 4.083 4.120 -0.001 0.000 0.296 738 V C 1.105 177.219 176.094 0.032 0.000 1.035 738 V CA 0.391 62.713 62.300 0.036 0.000 1.084 738 V CB -0.184 31.667 31.823 0.047 0.000 0.953 738 V HN 0.488 nan 8.190 nan 0.000 0.483 739 E N 4.648 124.860 120.200 0.020 0.000 2.217 739 E HA 0.141 4.491 4.350 -0.001 0.000 0.279 739 E C 0.635 177.246 176.600 0.018 0.000 1.068 739 E CA 0.065 56.478 56.400 0.022 0.000 0.882 739 E CB 1.126 30.837 29.700 0.018 0.000 1.039 739 E HN 0.556 nan 8.360 nan 0.000 0.418 740 L N 2.453 123.692 121.223 0.028 0.000 2.375 740 L HA 0.078 4.418 4.340 -0.001 0.000 0.215 740 L C 1.493 178.380 176.870 0.028 0.000 1.108 740 L CA 0.546 55.400 54.840 0.024 0.000 0.830 740 L CB -0.496 41.589 42.059 0.042 0.000 0.959 740 L HN 0.754 nan 8.230 nan 0.000 0.457 741 G N 0.750 109.570 108.800 0.033 0.000 2.574 741 G HA2 -0.419 3.541 3.960 -0.001 0.000 0.286 741 G HA3 -0.419 3.541 3.960 -0.001 0.000 0.286 741 G C 0.102 175.029 174.900 0.045 0.000 1.212 741 G CA 0.333 45.455 45.100 0.037 0.000 0.979 741 G HN 0.371 nan 8.290 nan 0.000 0.557 742 Q N 1.737 121.567 119.800 0.050 0.000 2.644 742 Q HA 0.486 4.825 4.340 -0.001 0.000 0.245 742 Q C -2.182 173.860 176.000 0.069 0.000 1.064 742 Q CA -1.602 54.235 55.803 0.056 0.000 0.860 742 Q CB 1.136 29.904 28.738 0.050 0.000 1.145 742 Q HN 0.597 nan 8.270 nan 0.000 0.515 743 P HA 0.059 nan 4.420 nan 0.000 0.274 743 P C -0.550 176.822 177.300 0.120 0.000 1.231 743 P CA -0.303 62.850 63.100 0.089 0.000 0.790 743 P CB 1.105 32.839 31.700 0.057 0.000 0.951 744 V N 2.370 122.394 119.914 0.184 0.000 2.555 744 V HA 0.117 4.237 4.120 -0.001 0.000 0.286 744 V C 0.505 176.762 176.094 0.271 0.000 1.044 744 V CA -0.170 62.263 62.300 0.221 0.000 1.026 744 V CB 1.136 33.128 31.823 0.282 0.000 0.981 744 V HN 0.257 nan 8.190 nan 0.000 0.480 745 V N 6.401 126.417 119.914 0.170 0.000 2.448 745 V HA 0.452 4.571 4.120 -0.001 0.000 0.295 745 V C -0.416 175.706 176.094 0.046 0.000 1.025 745 V CA -0.616 61.759 62.300 0.126 0.000 0.859 745 V CB 1.666 33.521 31.823 0.052 0.000 0.988 745 V HN 0.670 nan 8.190 nan 0.000 0.431 746 L N 6.804 128.052 121.223 0.040 0.000 2.305 746 L HA 0.711 5.051 4.340 -0.001 0.000 0.284 746 L C -0.560 176.198 176.870 -0.186 0.000 1.013 746 L CA 0.042 54.778 54.840 -0.174 0.000 0.819 746 L CB 1.688 43.545 42.059 -0.338 0.000 1.227 746 L HN 0.447 nan 8.230 nan 0.000 0.417 747 V N 4.121 123.915 119.914 -0.201 0.000 2.384 747 V HA 0.543 4.663 4.120 -0.001 0.000 0.287 747 V C 0.028 176.046 176.094 -0.127 0.000 1.020 747 V CA -0.409 61.792 62.300 -0.164 0.000 0.850 747 V CB 1.520 33.265 31.823 -0.131 0.000 0.987 747 V HN 0.837 nan 8.190 nan 0.000 0.436 748 T N 5.344 119.851 114.554 -0.079 0.000 2.786 748 T HA 0.441 4.791 4.350 -0.001 0.000 0.283 748 T C -0.403 174.320 174.700 0.038 0.000 0.992 748 T CA -0.573 61.534 62.100 0.013 0.000 0.954 748 T CB 1.144 70.056 68.868 0.073 0.000 0.934 748 T HN 0.663 nan 8.240 nan 0.000 0.440 749 K N 2.394 122.834 120.400 0.067 0.000 2.450 749 K HA 0.683 5.002 4.320 -0.001 0.000 0.257 749 K C -0.372 176.285 176.600 0.096 0.000 0.953 749 K CA -0.574 55.754 56.287 0.070 0.000 0.844 749 K CB 0.988 33.523 32.500 0.057 0.000 1.103 749 K HN 0.789 nan 8.250 nan 0.000 0.429 750 G N 2.233 111.088 108.800 0.091 0.000 2.642 750 G HA2 0.165 4.124 3.960 -0.001 0.000 0.293 750 G HA3 0.165 4.124 3.960 -0.001 0.000 0.293 750 G C -0.222 174.723 174.900 0.076 0.000 1.341 750 G CA -0.661 44.495 45.100 0.093 0.000 0.916 750 G HN 0.660 nan 8.290 nan 0.000 0.474 751 K N -0.255 120.186 120.400 0.068 0.000 2.097 751 K HA 0.110 4.430 4.320 -0.001 0.000 0.205 751 K C 1.624 178.260 176.600 0.060 0.000 1.050 751 K CA 1.207 57.530 56.287 0.060 0.000 0.938 751 K CB -0.159 32.374 32.500 0.054 0.000 0.718 751 K HN 0.425 nan 8.250 nan 0.000 0.442 752 L N -0.787 120.474 121.223 0.062 0.000 2.425 752 L HA 0.237 4.577 4.340 -0.001 0.000 0.215 752 L C 0.576 177.481 176.870 0.058 0.000 1.065 752 L CA 0.012 54.888 54.840 0.060 0.000 0.842 752 L CB 0.359 42.456 42.059 0.064 0.000 1.033 752 L HN 0.170 nan 8.230 nan 0.000 0.474 753 E N -0.185 120.055 120.200 0.065 0.000 2.304 753 E HA 0.419 4.769 4.350 -0.001 0.000 0.277 753 E C -1.487 175.157 176.600 0.073 0.000 0.898 753 E CA -0.204 56.235 56.400 0.065 0.000 0.764 753 E CB 2.260 31.997 29.700 0.062 0.000 1.216 753 E HN -0.118 nan 8.360 nan 0.000 0.419 754 S N 1.153 116.893 115.700 0.068 0.000 2.634 754 S HA 0.769 5.239 4.470 -0.001 0.000 0.296 754 S C -1.313 173.312 174.600 0.041 0.000 1.104 754 S CA -0.705 57.530 58.200 0.059 0.000 0.920 754 S CB 1.800 65.036 63.200 0.061 0.000 1.111 754 S HN 0.612 nan 8.310 nan 0.000 0.493 755 S N -0.152 115.548 115.700 0.001 0.000 2.547 755 S HA 0.728 5.198 4.470 -0.001 0.000 0.270 755 S C -1.693 172.814 174.600 -0.154 0.000 1.150 755 S CA -0.734 57.439 58.200 -0.045 0.000 0.850 755 S CB 1.085 64.280 63.200 -0.008 0.000 1.118 755 S HN 0.449 nan 8.310 nan 0.000 0.461 756 V N 2.026 121.785 119.914 -0.259 0.000 2.444 756 V HA 0.714 4.834 4.120 -0.001 0.000 0.294 756 V C -0.446 175.512 176.094 -0.226 0.000 1.022 756 V CA -0.380 61.698 62.300 -0.371 0.000 0.850 756 V CB 1.487 32.769 31.823 -0.903 0.000 0.992 756 V HN 0.986 nan 8.190 nan 0.000 0.426 757 S N 3.335 118.959 115.700 -0.126 0.000 2.513 757 S HA 0.780 5.250 4.470 -0.001 0.000 0.299 757 S C -0.806 173.730 174.600 -0.106 0.000 1.087 757 S CA -0.619 57.513 58.200 -0.112 0.000 1.012 757 S CB 2.147 65.379 63.200 0.055 0.000 1.044 757 S HN 0.639 nan 8.310 nan 0.000 0.485 758 V N 2.149 121.872 119.914 -0.320 0.000 2.686 758 V HA 0.797 4.917 4.120 -0.001 0.000 0.306 758 V C -0.027 175.701 176.094 -0.610 0.000 1.065 758 V CA -0.429 61.699 62.300 -0.288 0.000 0.894 758 V CB 1.745 33.537 31.823 -0.052 0.000 1.004 758 V HN 0.992 nan 8.190 nan 0.000 0.424 759 G N 7.130 115.600 108.800 -0.550 0.000 2.530 759 G HA2 0.527 4.486 3.960 -0.001 0.000 0.313 759 G HA3 0.527 4.486 3.960 -0.001 0.000 0.313 759 G C -0.526 174.270 174.900 -0.174 0.000 0.971 759 G CA -0.327 44.520 45.100 -0.423 0.000 1.237 759 G HN 0.705 nan 8.290 nan 0.000 0.446 760 L N 2.761 123.834 121.223 -0.250 0.000 2.387 760 L HA 0.401 4.741 4.340 -0.001 0.000 0.266 760 L C -2.023 174.731 176.870 -0.193 0.000 1.059 760 L CA -2.378 52.337 54.840 -0.208 0.000 0.801 760 L CB 1.740 43.603 42.059 -0.327 0.000 1.223 760 L HN 0.201 nan 8.230 nan 0.000 0.456 761 P HA 0.064 nan 4.420 nan 0.000 0.266 761 P C 0.070 177.271 177.300 -0.166 0.000 1.215 761 P CA 0.427 63.448 63.100 -0.131 0.000 0.763 761 P CB 0.895 32.544 31.700 -0.087 0.000 0.806 762 S N -0.127 115.480 115.700 -0.155 0.000 2.929 762 S HA -0.114 4.355 4.470 -0.001 0.000 0.271 762 S C 0.215 174.703 174.600 -0.187 0.000 1.295 762 S CA 1.250 59.365 58.200 -0.142 0.000 1.277 762 S CB -1.562 61.579 63.200 -0.098 0.000 1.557 762 S HN 0.405 nan 8.310 nan 0.000 0.666 763 V N 1.313 121.060 119.914 -0.278 0.000 2.655 763 V HA 0.439 4.558 4.120 -0.001 0.000 0.301 763 V C -0.234 175.630 176.094 -0.382 0.000 1.082 763 V CA -0.812 61.278 62.300 -0.349 0.000 0.899 763 V CB 2.083 33.540 31.823 -0.609 0.000 1.014 763 V HN 0.111 nan 8.190 nan 0.000 0.429 764 V N 4.094 123.793 119.914 -0.358 0.000 2.368 764 V HA 0.322 4.441 4.120 -0.001 0.000 0.266 764 V C -0.132 175.744 176.094 -0.363 0.000 1.045 764 V CA -0.318 61.670 62.300 -0.520 0.000 0.899 764 V CB 0.705 32.098 31.823 -0.716 0.000 1.006 764 V HN 0.932 nan 8.190 nan 0.000 0.470 765 H N 4.483 123.291 119.070 -0.438 0.000 2.488 765 H HA 0.601 5.156 4.556 -0.001 0.000 0.322 765 H C -0.411 174.792 175.328 -0.208 0.000 1.078 765 H CA -0.203 55.690 56.048 -0.258 0.000 1.260 765 H CB 1.204 30.846 29.762 -0.201 0.000 1.425 765 H HN 0.695 nan 8.280 nan 0.000 0.471 766 Q N 3.896 123.373 119.800 -0.538 0.000 2.323 766 Q HA 0.393 4.733 4.340 -0.001 0.000 0.271 766 Q C -1.385 174.403 176.000 -0.354 0.000 1.048 766 Q CA -0.903 54.680 55.803 -0.367 0.000 0.792 766 Q CB 1.690 30.319 28.738 -0.182 0.000 1.280 766 Q HN 0.747 nan 8.270 nan 0.000 0.441 767 T N 4.880 119.315 114.554 -0.198 0.000 2.791 767 T HA 0.526 4.875 4.350 -0.001 0.000 0.288 767 T C -0.380 174.345 174.700 0.041 0.000 0.999 767 T CA -0.330 61.771 62.100 0.002 0.000 0.952 767 T CB 0.263 69.304 68.868 0.288 0.000 0.938 767 T HN 0.458 nan 8.240 nan 0.000 0.444 768 I N 3.817 124.423 120.570 0.060 0.000 2.404 768 I HA 0.501 4.671 4.170 -0.001 0.000 0.293 768 I C -0.127 176.042 176.117 0.087 0.000 0.992 768 I CA -0.791 60.545 61.300 0.060 0.000 1.149 768 I CB 1.623 39.648 38.000 0.042 0.000 1.315 768 I HN 0.384 nan 8.210 nan 0.000 0.446 769 M N 6.019 125.671 119.600 0.087 0.000 2.190 769 M HA 0.492 4.971 4.480 -0.001 0.000 0.312 769 M C 0.077 176.419 176.300 0.070 0.000 0.990 769 M CA -0.405 54.950 55.300 0.092 0.000 0.927 769 M CB 2.232 34.902 32.600 0.118 0.000 1.571 769 M HN 0.507 nan 8.290 nan 0.000 0.427 770 R N 1.054 121.589 120.500 0.059 0.000 2.572 770 R HA 0.355 4.694 4.340 -0.001 0.000 0.370 770 R C 0.816 177.143 176.300 0.045 0.000 1.005 770 R CA 0.225 56.354 56.100 0.047 0.000 1.146 770 R CB 1.106 31.427 30.300 0.034 0.000 1.390 770 R HN 1.156 nan 8.270 nan 0.000 0.553 771 G N -0.246 108.583 108.800 0.049 0.000 2.184 771 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.206 771 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.206 771 G C 0.257 175.178 174.900 0.035 0.000 0.995 771 G CA -0.371 44.755 45.100 0.043 0.000 0.651 771 G HN 0.528 nan 8.290 nan 0.000 0.511 772 G N -0.228 108.594 108.800 0.036 0.000 3.252 772 G HA2 0.810 4.769 3.960 -0.001 0.000 0.181 772 G HA3 0.810 4.769 3.960 -0.001 0.000 0.181 772 G C 0.458 175.378 174.900 0.034 0.000 1.187 772 G CA 0.393 45.510 45.100 0.028 0.000 0.886 772 G HN 1.551 nan 8.290 nan 0.000 0.615 773 A N 1.449 124.286 122.820 0.029 0.000 2.540 773 A HA 0.502 4.821 4.320 -0.001 0.000 0.239 773 A C -1.701 175.920 177.584 0.061 0.000 1.061 773 A CA -0.426 51.634 52.037 0.038 0.000 0.758 773 A CB -0.485 18.534 19.000 0.032 0.000 0.991 773 A HN 0.397 nan 8.150 nan 0.000 0.502 774 P HA 0.099 nan 4.420 nan 0.000 0.270 774 P C -0.433 176.937 177.300 0.115 0.000 1.223 774 P CA -0.130 63.035 63.100 0.108 0.000 0.785 774 P CB 0.631 32.419 31.700 0.146 0.000 0.923 775 E N 1.507 121.771 120.200 0.106 0.000 2.191 775 E HA 0.363 4.713 4.350 -0.001 0.000 0.278 775 E C -0.749 175.921 176.600 0.117 0.000 0.972 775 E CA -0.732 55.734 56.400 0.110 0.000 0.804 775 E CB 0.580 30.322 29.700 0.070 0.000 1.110 775 E HN 0.212 nan 8.360 nan 0.000 0.394 776 I N 4.146 124.818 120.570 0.169 0.000 2.377 776 I HA 0.409 4.578 4.170 -0.001 0.000 0.293 776 I C 0.031 176.258 176.117 0.184 0.000 0.987 776 I CA -0.599 60.780 61.300 0.130 0.000 1.185 776 I CB 1.204 39.287 38.000 0.138 0.000 1.341 776 I HN 0.558 nan 8.210 nan 0.000 0.455 777 R N 4.623 125.157 120.500 0.058 0.000 2.561 777 R HA 0.495 4.835 4.340 -0.001 0.000 0.297 777 R C -0.961 175.378 176.300 0.064 0.000 0.969 777 R CA -0.858 55.291 56.100 0.083 0.000 0.879 777 R CB 2.045 32.354 30.300 0.016 0.000 1.178 777 R HN 0.462 nan 8.270 nan 0.000 0.445 778 N N 2.574 121.374 118.700 0.166 0.000 2.407 778 N HA 0.190 4.930 4.740 -0.001 0.000 0.277 778 N C -1.229 174.286 175.510 0.008 0.000 0.995 778 N CA -0.709 52.414 53.050 0.121 0.000 0.903 778 N CB 1.835 40.498 38.487 0.293 0.000 1.218 778 N HN 0.325 nan 8.380 nan 0.000 0.487 779 L N 3.776 124.946 121.223 -0.087 0.000 2.312 779 L HA 0.345 4.684 4.340 -0.001 0.000 0.287 779 L C -0.981 175.814 176.870 -0.126 0.000 1.091 779 L CA -0.433 54.337 54.840 -0.117 0.000 0.846 779 L CB 0.310 42.288 42.059 -0.135 0.000 1.219 779 L HN 0.218 nan 8.230 nan 0.000 0.439 780 V N 4.526 124.370 119.914 -0.118 0.000 2.350 780 V HA 0.365 4.485 4.120 -0.001 0.000 0.276 780 V C -0.384 175.665 176.094 -0.075 0.000 1.028 780 V CA -0.500 61.747 62.300 -0.088 0.000 0.860 780 V CB 1.222 33.021 31.823 -0.039 0.000 0.990 780 V HN 0.664 nan 8.190 nan 0.000 0.453 781 D N 4.020 124.377 120.400 -0.072 0.000 2.375 781 D HA 0.270 4.910 4.640 -0.001 0.000 0.259 781 D C 0.558 176.831 176.300 -0.044 0.000 1.235 781 D CA -0.406 53.562 54.000 -0.053 0.000 0.924 781 D CB 1.358 42.122 40.800 -0.060 0.000 1.143 781 D HN 0.466 nan 8.370 nan 0.000 0.529 782 I N 2.319 122.879 120.570 -0.017 0.000 2.916 782 I HA 0.049 4.218 4.170 -0.001 0.000 0.267 782 I C 1.389 177.499 176.117 -0.010 0.000 1.263 782 I CA 1.132 62.429 61.300 -0.005 0.000 1.471 782 I CB -0.203 37.813 38.000 0.027 0.000 1.089 782 I HN 0.614 nan 8.210 nan 0.000 0.468 783 G N 0.828 109.619 108.800 -0.015 0.000 2.611 783 G HA2 -0.438 3.521 3.960 -0.001 0.000 0.301 783 G HA3 -0.438 3.521 3.960 -0.001 0.000 0.301 783 G C 0.579 175.478 174.900 -0.002 0.000 1.233 783 G CA 0.497 45.588 45.100 -0.015 0.000 0.993 783 G HN 0.703 nan 8.290 nan 0.000 0.553 784 S N -0.081 115.618 115.700 -0.003 0.000 2.573 784 S HA 0.534 5.004 4.470 -0.001 0.000 0.244 784 S C 0.835 175.440 174.600 0.009 0.000 0.984 784 S CA 0.093 58.297 58.200 0.007 0.000 1.001 784 S CB 0.023 63.228 63.200 0.008 0.000 0.788 784 S HN 0.689 nan 8.310 nan 0.000 0.456 785 L N 2.938 124.166 121.223 0.009 0.000 2.382 785 L HA 0.266 4.606 4.340 -0.001 0.000 0.259 785 L C -0.385 176.501 176.870 0.026 0.000 1.291 785 L CA -0.392 54.457 54.840 0.015 0.000 1.176 785 L CB -0.761 41.305 42.059 0.012 0.000 1.373 785 L HN 0.152 nan 8.230 nan 0.000 0.426 786 D N 2.553 122.969 120.400 0.026 0.000 2.449 786 D HA -0.033 4.606 4.640 -0.001 0.000 0.236 786 D C 0.720 177.042 176.300 0.038 0.000 1.149 786 D CA 0.446 54.465 54.000 0.031 0.000 0.878 786 D CB 0.285 41.101 40.800 0.026 0.000 1.198 786 D HN 0.312 nan 8.370 nan 0.000 0.446 787 N N 0.489 119.215 118.700 0.044 0.000 2.738 787 N HA -0.171 4.568 4.740 -0.001 0.000 0.249 787 N C -0.953 174.598 175.510 0.069 0.000 1.047 787 N CA 0.842 53.923 53.050 0.053 0.000 0.707 787 N CB -1.303 37.208 38.487 0.041 0.000 0.937 787 N HN 0.302 nan 8.380 nan 0.000 0.545 788 T N 0.473 115.072 114.554 0.075 0.000 2.886 788 T HA 0.412 4.761 4.350 -0.001 0.000 0.292 788 T C -0.265 174.500 174.700 0.108 0.000 1.012 788 T CA -0.715 61.440 62.100 0.092 0.000 0.982 788 T CB 2.297 71.204 68.868 0.066 0.000 1.018 788 T HN 0.027 nan 8.240 nan 0.000 0.451 789 E N 2.601 122.894 120.200 0.155 0.000 2.191 789 E HA 0.439 4.788 4.350 -0.001 0.000 0.263 789 E C -0.722 175.994 176.600 0.194 0.000 0.881 789 E CA -0.630 55.861 56.400 0.152 0.000 0.757 789 E CB 2.205 31.973 29.700 0.114 0.000 1.147 789 E HN 0.498 nan 8.360 nan 0.000 0.414 790 I N 2.865 123.532 120.570 0.161 0.000 2.342 790 I HA 0.218 4.388 4.170 -0.001 0.000 0.291 790 I C -0.220 176.029 176.117 0.221 0.000 1.010 790 I CA -0.757 60.650 61.300 0.179 0.000 1.308 790 I CB 1.336 39.429 38.000 0.155 0.000 1.400 790 I HN 0.204 nan 8.210 nan 0.000 0.488 791 V N 8.100 128.144 119.914 0.218 0.000 2.628 791 V HA 0.495 4.614 4.120 -0.001 0.000 0.306 791 V C -0.443 175.684 176.094 0.055 0.000 1.045 791 V CA -0.729 61.684 62.300 0.189 0.000 0.905 791 V CB 2.016 34.006 31.823 0.278 0.000 0.997 791 V HN 0.751 nan 8.190 nan 0.000 0.436 792 M N 7.178 126.734 119.600 -0.074 0.000 2.129 792 M HA 0.565 5.044 4.480 -0.001 0.000 0.348 792 M C -0.529 175.621 176.300 -0.250 0.000 1.116 792 M CA -0.401 54.624 55.300 -0.458 0.000 1.022 792 M CB 0.619 32.909 32.600 -0.516 0.000 1.599 792 M HN 0.751 nan 8.290 nan 0.000 0.449 793 R N 4.497 124.835 120.500 -0.269 0.000 2.711 793 R HA 0.714 5.054 4.340 -0.001 0.000 0.284 793 R C -1.947 174.250 176.300 -0.172 0.000 0.968 793 R CA -0.640 55.368 56.100 -0.154 0.000 0.924 793 R CB 1.522 31.754 30.300 -0.113 0.000 1.162 793 R HN 0.798 nan 8.270 nan 0.000 0.465 794 L N 3.064 124.169 121.223 -0.197 0.000 2.313 794 L HA 0.426 4.765 4.340 -0.001 0.000 0.283 794 L C -0.549 176.207 176.870 -0.190 0.000 1.013 794 L CA -0.401 54.252 54.840 -0.312 0.000 0.816 794 L CB 1.970 43.795 42.059 -0.388 0.000 1.236 794 L HN 0.597 nan 8.230 nan 0.000 0.419 795 E N 2.165 122.270 120.200 -0.158 0.000 2.145 795 E HA 0.507 4.857 4.350 -0.001 0.000 0.270 795 E C -0.605 175.925 176.600 -0.117 0.000 0.906 795 E CA -0.467 55.892 56.400 -0.069 0.000 0.761 795 E CB 2.123 31.838 29.700 0.025 0.000 1.116 795 E HN 0.616 nan 8.360 nan 0.000 0.408 796 T N -0.763 113.732 114.554 -0.098 0.000 2.804 796 T HA 0.333 4.683 4.350 -0.001 0.000 0.290 796 T C -0.136 174.542 174.700 -0.036 0.000 1.099 796 T CA -0.844 61.154 62.100 -0.170 0.000 1.011 796 T CB 1.175 69.977 68.868 -0.110 0.000 1.291 796 T HN 0.421 nan 8.240 nan 0.000 0.523 797 H N 0.336 119.395 119.070 -0.018 0.000 2.490 797 H HA 0.463 5.019 4.556 -0.001 0.000 0.285 797 H C -0.094 175.232 175.328 -0.002 0.000 1.127 797 H CA -0.914 55.129 56.048 -0.008 0.000 0.993 797 H CB -0.760 28.997 29.762 -0.007 0.000 1.653 797 H HN 0.468 nan 8.280 nan 0.000 0.557 798 I N 1.259 121.881 120.570 0.088 0.000 2.471 798 I HA -0.077 4.092 4.170 -0.001 0.000 0.286 798 I C 0.749 176.909 176.117 0.072 0.000 1.079 798 I CA 0.025 61.364 61.300 0.065 0.000 1.398 798 I CB 0.680 38.708 38.000 0.047 0.000 1.403 798 I HN 0.023 nan 8.210 nan 0.000 0.530 799 D N 4.385 124.824 120.400 0.065 0.000 2.713 799 D HA 0.029 4.668 4.640 -0.001 0.000 0.229 799 D C 1.270 177.611 176.300 0.068 0.000 1.136 799 D CA -0.027 54.008 54.000 0.058 0.000 1.010 799 D CB 0.358 41.185 40.800 0.045 0.000 1.084 799 D HN 0.543 nan 8.370 nan 0.000 0.495 800 S N 0.239 115.986 115.700 0.078 0.000 2.470 800 S HA 0.220 4.690 4.470 -0.001 0.000 0.225 800 S C 1.662 176.316 174.600 0.089 0.000 1.006 800 S CA 0.323 58.583 58.200 0.100 0.000 0.934 800 S CB -0.233 63.038 63.200 0.119 0.000 0.778 800 S HN 0.528 nan 8.310 nan 0.000 0.517 801 G N 3.204 112.046 108.800 0.069 0.000 2.574 801 G HA2 -0.401 3.559 3.960 -0.001 0.000 0.301 801 G HA3 -0.401 3.559 3.960 -0.001 0.000 0.301 801 G C 0.208 175.151 174.900 0.072 0.000 1.166 801 G CA 0.634 45.770 45.100 0.060 0.000 0.971 801 G HN 0.783 nan 8.290 nan 0.000 0.542 802 D N 0.225 120.671 120.400 0.077 0.000 2.440 802 D HA 0.337 4.976 4.640 -0.001 0.000 0.216 802 D C 0.665 177.046 176.300 0.135 0.000 1.150 802 D CA -0.214 53.849 54.000 0.104 0.000 0.832 802 D CB 0.232 41.079 40.800 0.078 0.000 0.992 802 D HN 0.446 nan 8.370 nan 0.000 0.502 803 I N 1.593 122.229 120.570 0.109 0.000 2.392 803 I HA 0.475 4.644 4.170 -0.001 0.000 0.295 803 I C -0.234 175.970 176.117 0.146 0.000 0.985 803 I CA -1.004 60.304 61.300 0.014 0.000 1.221 803 I CB 0.585 38.562 38.000 -0.038 0.000 1.366 803 I HN -0.046 nan 8.210 nan 0.000 0.467 804 F N 4.663 124.438 119.950 -0.290 0.000 2.745 804 F HA 0.704 5.231 4.527 -0.001 0.000 0.316 804 F C -1.976 173.473 175.800 -0.584 0.000 1.155 804 F CA -1.487 56.363 58.000 -0.249 0.000 0.937 804 F CB 1.147 40.071 39.000 -0.127 0.000 1.361 804 F HN 0.172 nan 8.300 nan 0.000 0.472 805 Y N -0.030 120.048 120.300 -0.370 0.000 2.425 805 Y HA 0.673 5.222 4.550 -0.001 0.000 0.344 805 Y C 0.054 175.778 175.900 -0.293 0.000 0.969 805 Y CA -0.732 57.007 58.100 -0.601 0.000 1.052 805 Y CB 2.364 40.057 38.460 -1.278 0.000 1.215 805 Y HN 0.896 nan 8.280 nan 0.000 0.451 806 T N -1.472 113.001 114.554 -0.135 0.000 2.901 806 T HA 0.506 4.855 4.350 -0.001 0.000 0.293 806 T C -1.052 173.465 174.700 -0.304 0.000 1.084 806 T CA -1.065 60.979 62.100 -0.094 0.000 1.008 806 T CB 2.065 70.857 68.868 -0.126 0.000 1.170 806 T HN 0.575 nan 8.240 nan 0.000 0.509 807 D N 0.859 120.931 120.400 -0.546 0.000 2.332 807 D HA 0.381 5.020 4.640 -0.001 0.000 0.252 807 D C -0.634 175.405 176.300 -0.435 0.000 1.050 807 D CA -0.826 52.674 54.000 -0.834 0.000 0.970 807 D CB 1.286 41.340 40.800 -1.244 0.000 1.141 807 D HN 0.552 nan 8.370 nan 0.000 0.485 808 L N 0.941 121.953 121.223 -0.351 0.000 2.316 808 L HA 0.219 4.559 4.340 -0.001 0.000 0.280 808 L C -0.159 176.596 176.870 -0.190 0.000 1.006 808 L CA -0.789 53.934 54.840 -0.195 0.000 0.836 808 L CB 0.453 42.460 42.059 -0.087 0.000 1.221 808 L HN 0.445 nan 8.230 nan 0.000 0.418 809 N N 2.035 120.627 118.700 -0.180 0.000 2.714 809 N HA -0.228 4.511 4.740 -0.001 0.000 0.250 809 N C 0.972 176.275 175.510 -0.345 0.000 1.117 809 N CA 0.913 53.855 53.050 -0.180 0.000 0.719 809 N CB -1.172 37.289 38.487 -0.043 0.000 1.081 809 N HN 1.072 nan 8.380 nan 0.000 0.557 810 G N -1.659 106.941 108.800 -0.333 0.000 2.166 810 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.260 810 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.260 810 G C 0.637 175.531 174.900 -0.010 0.000 0.986 810 G CA 0.691 45.622 45.100 -0.281 0.000 0.683 810 G HN 0.484 nan 8.290 nan 0.000 0.527 811 L N -0.329 120.834 121.223 -0.101 0.000 2.362 811 L HA 0.493 4.832 4.340 -0.001 0.000 0.204 811 L C 1.058 177.833 176.870 -0.160 0.000 1.060 811 L CA 2.032 56.732 54.840 -0.233 0.000 0.827 811 L CB 0.125 41.900 42.059 -0.473 0.000 1.027 811 L HN 0.699 nan 8.230 nan 0.000 0.474 812 Q N -1.774 117.932 119.800 -0.158 0.000 2.435 812 Q HA 0.350 4.690 4.340 -0.001 0.000 0.282 812 Q C -1.691 174.210 176.000 -0.166 0.000 1.020 812 Q CA -0.736 55.035 55.803 -0.054 0.000 0.820 812 Q CB 1.156 29.917 28.738 0.040 0.000 1.436 812 Q HN -0.041 nan 8.270 nan 0.000 0.395 813 F N 1.410 121.327 119.950 -0.055 0.000 2.436 813 F HA 0.588 5.114 4.527 -0.001 0.000 0.340 813 F C -0.145 175.623 175.800 -0.052 0.000 1.113 813 F CA -0.841 57.136 58.000 -0.038 0.000 1.022 813 F CB 1.604 40.632 39.000 0.047 0.000 1.128 813 F HN 0.530 nan 8.300 nan 0.000 0.466 814 I N 3.797 124.371 120.570 0.008 0.000 2.474 814 I HA 0.321 4.490 4.170 -0.001 0.000 0.294 814 I C -0.444 175.527 176.117 -0.244 0.000 1.005 814 I CA -0.893 60.358 61.300 -0.082 0.000 1.113 814 I CB 1.231 39.135 38.000 -0.159 0.000 1.289 814 I HN 0.492 nan 8.210 nan 0.000 0.436 815 K N 6.715 126.929 120.400 -0.310 0.000 2.416 815 K HA 0.215 4.535 4.320 -0.001 0.000 0.283 815 K C -0.786 175.364 176.600 -0.751 0.000 1.037 815 K CA -0.326 55.506 56.287 -0.759 0.000 0.995 815 K CB 0.462 32.662 32.500 -0.500 0.000 0.938 815 K HN 0.483 nan 8.250 nan 0.000 0.475 816 R N 3.254 123.123 120.500 -1.051 0.000 2.604 816 R HA 0.340 4.679 4.340 -0.001 0.000 0.287 816 R C -0.410 175.399 176.300 -0.819 0.000 0.970 816 R CA -0.741 54.676 56.100 -1.137 0.000 0.946 816 R CB 1.472 30.553 30.300 -2.032 0.000 1.127 816 R HN 0.651 nan 8.270 nan 0.000 0.473 817 R N 1.638 121.874 120.500 -0.440 0.000 2.476 817 R HA 0.282 4.622 4.340 -0.001 0.000 0.305 817 R C -0.487 175.852 176.300 0.064 0.000 0.965 817 R CA -0.689 55.323 56.100 -0.146 0.000 0.867 817 R CB 1.428 31.681 30.300 -0.077 0.000 1.176 817 R HN 0.572 nan 8.270 nan 0.000 0.447 818 R N 4.996 125.637 120.500 0.236 0.000 2.484 818 R HA 0.081 4.421 4.340 -0.001 0.000 0.293 818 R C -0.959 175.426 176.300 0.142 0.000 1.023 818 R CA 0.250 56.520 56.100 0.283 0.000 1.037 818 R CB 0.365 30.822 30.300 0.261 0.000 0.951 818 R HN 0.541 nan 8.270 nan 0.000 0.418 819 L N 5.260 126.548 121.223 0.108 0.000 2.316 819 L HA 0.222 4.562 4.340 -0.001 0.000 0.280 819 L C 0.186 177.053 176.870 -0.005 0.000 1.006 819 L CA -0.711 54.149 54.840 0.034 0.000 0.836 819 L CB 1.896 43.946 42.059 -0.014 0.000 1.221 819 L HN 0.693 nan 8.230 nan 0.000 0.418 820 D N 1.728 122.131 120.400 0.006 0.000 2.348 820 D HA -0.122 4.517 4.640 -0.001 0.000 0.216 820 D C 1.738 178.023 176.300 -0.025 0.000 0.970 820 D CA 0.793 54.790 54.000 -0.005 0.000 0.889 820 D CB 0.338 41.144 40.800 0.010 0.000 0.912 820 D HN 0.565 nan 8.370 nan 0.000 0.524 821 K N 0.293 120.672 120.400 -0.035 0.000 2.439 821 K HA -0.008 4.312 4.320 -0.001 0.000 0.197 821 K C 0.720 177.261 176.600 -0.098 0.000 1.041 821 K CA 0.401 56.663 56.287 -0.041 0.000 0.970 821 K CB 0.290 32.781 32.500 -0.015 0.000 0.773 821 K HN 0.111 nan 8.250 nan 0.000 0.479 822 L N 2.406 123.531 121.223 -0.162 0.000 2.334 822 L HA 0.444 4.784 4.340 -0.001 0.000 0.272 822 L C -2.231 174.528 176.870 -0.185 0.000 1.020 822 L CA -2.917 51.779 54.840 -0.240 0.000 0.812 822 L CB 1.379 43.197 42.059 -0.402 0.000 1.264 822 L HN -0.039 nan 8.230 nan 0.000 0.439 823 P HA 0.018 nan 4.420 nan 0.000 0.272 823 P C 0.864 178.033 177.300 -0.218 0.000 1.240 823 P CA -0.341 62.656 63.100 -0.171 0.000 0.791 823 P CB 1.160 32.781 31.700 -0.132 0.000 0.978 824 L N 0.965 122.089 121.223 -0.164 0.000 2.021 824 L HA -0.293 4.047 4.340 -0.001 0.000 0.215 824 L C 2.503 179.277 176.870 -0.159 0.000 1.074 824 L CA 1.965 56.731 54.840 -0.124 0.000 0.760 824 L CB -0.628 41.352 42.059 -0.132 0.000 0.889 824 L HN 0.436 nan 8.230 nan 0.000 0.433 825 Q N -0.321 119.276 119.800 -0.339 0.000 2.291 825 Q HA -0.174 4.166 4.340 -0.001 0.000 0.206 825 Q C 1.925 177.831 176.000 -0.155 0.000 0.976 825 Q CA 1.524 57.159 55.803 -0.280 0.000 0.875 825 Q CB -0.572 27.925 28.738 -0.401 0.000 0.927 825 Q HN 0.610 nan 8.270 nan 0.000 0.450 826 A N 1.741 124.259 122.820 -0.503 0.000 2.014 826 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 826 A C 1.702 179.113 177.584 -0.290 0.000 1.163 826 A CA 0.989 52.595 52.037 -0.719 0.000 0.652 826 A CB -0.272 17.958 19.000 -1.282 0.000 0.808 826 A HN 0.384 nan 8.150 nan 0.000 0.449 827 N N -1.186 117.453 118.700 -0.102 0.000 2.398 827 N HA 0.035 4.775 4.740 -0.001 0.000 0.188 827 N C -0.784 174.835 175.510 0.183 0.000 1.122 827 N CA 0.208 53.317 53.050 0.099 0.000 0.866 827 N CB 0.023 38.617 38.487 0.179 0.000 0.970 827 N HN 0.458 nan 8.380 nan 0.000 0.462 828 Y N 0.346 120.613 120.300 -0.055 0.000 2.319 828 Y HA 0.177 4.726 4.550 -0.001 0.000 0.328 828 Y C -0.112 175.736 175.900 -0.087 0.000 1.133 828 Y CA -0.097 58.048 58.100 0.075 0.000 1.265 828 Y CB 0.341 38.918 38.460 0.195 0.000 1.218 828 Y HN -0.065 nan 8.280 nan 0.000 0.508 829 Y N 3.118 123.557 120.300 0.231 0.000 2.605 829 Y HA 0.450 4.999 4.550 -0.001 0.000 0.343 829 Y C -2.292 173.304 175.900 -0.506 0.000 1.036 829 Y CA -2.970 55.115 58.100 -0.025 0.000 1.065 829 Y CB 1.431 39.875 38.460 -0.027 0.000 1.288 829 Y HN 0.443 nan 8.280 nan 0.000 0.481 830 P HA 0.108 nan 4.420 nan 0.000 0.268 830 P C -0.616 176.443 177.300 -0.402 0.000 1.204 830 P CA 0.275 62.796 63.100 -0.966 0.000 0.768 830 P CB 0.479 31.525 31.700 -1.091 0.000 0.842 831 I N 5.160 125.575 120.570 -0.259 0.000 2.692 831 I HA 0.169 4.338 4.170 -0.001 0.000 0.285 831 I C -1.680 174.366 176.117 -0.119 0.000 1.191 831 I CA -2.430 58.791 61.300 -0.133 0.000 1.128 831 I CB 0.611 38.589 38.000 -0.036 0.000 1.585 831 I HN 0.205 nan 8.210 nan 0.000 0.558 832 P HA -0.072 nan 4.420 nan 0.000 0.221 832 P C 1.091 178.361 177.300 -0.049 0.000 1.150 832 P CA 1.250 64.278 63.100 -0.120 0.000 0.800 832 P CB 0.550 32.151 31.700 -0.164 0.000 0.787 833 S N -3.600 112.075 115.700 -0.042 0.000 2.483 833 S HA 0.451 4.920 4.470 -0.001 0.000 0.280 833 S C 0.554 175.241 174.600 0.145 0.000 1.059 833 S CA 0.322 58.554 58.200 0.054 0.000 1.359 833 S CB 0.269 63.526 63.200 0.096 0.000 1.171 833 S HN 0.320 nan 8.310 nan 0.000 0.625 834 G N 1.574 110.461 108.800 0.145 0.000 2.489 834 G HA2 0.574 4.534 3.960 -0.001 0.000 0.291 834 G HA3 0.574 4.534 3.960 -0.001 0.000 0.291 834 G C -1.480 173.662 174.900 0.403 0.000 1.487 834 G CA -0.451 44.862 45.100 0.356 0.000 0.795 834 G HN 0.904 nan 8.290 nan 0.000 0.513 835 M N -0.507 119.360 119.600 0.445 0.000 2.534 835 M HA 0.866 5.345 4.480 -0.001 0.000 0.280 835 M C -1.812 174.728 176.300 0.400 0.000 1.217 835 M CA -1.009 54.509 55.300 0.363 0.000 0.893 835 M CB 2.462 35.183 32.600 0.201 0.000 1.730 835 M HN 1.121 nan 8.290 nan 0.000 0.483 836 F N 1.143 121.244 119.950 0.252 0.000 2.645 836 F HA 0.917 5.444 4.527 -0.001 0.000 0.310 836 F C -1.714 174.227 175.800 0.234 0.000 1.102 836 F CA -1.178 56.910 58.000 0.146 0.000 0.952 836 F CB 1.203 40.199 39.000 -0.006 0.000 1.326 836 F HN 0.768 nan 8.300 nan 0.000 0.456 837 I N -0.120 120.683 120.570 0.388 0.000 2.785 837 I HA 0.867 5.037 4.170 -0.001 0.000 0.302 837 I C -1.370 174.930 176.117 0.305 0.000 1.069 837 I CA -0.880 60.614 61.300 0.323 0.000 1.045 837 I CB 2.371 40.479 38.000 0.179 0.000 1.236 837 I HN 0.943 nan 8.210 nan 0.000 0.429 838 E N 2.181 122.548 120.200 0.277 0.000 2.412 838 E HA 0.548 4.898 4.350 -0.001 0.000 0.279 838 E C -2.006 174.678 176.600 0.141 0.000 0.984 838 E CA -0.826 55.681 56.400 0.178 0.000 0.788 838 E CB 2.304 32.100 29.700 0.160 0.000 1.277 838 E HN 0.740 nan 8.360 nan 0.000 0.455 839 D N 0.824 121.276 120.400 0.087 0.000 2.726 839 D HA 0.444 5.083 4.640 -0.001 0.000 0.241 839 D C 0.912 177.242 176.300 0.051 0.000 1.150 839 D CA -0.142 53.901 54.000 0.073 0.000 1.089 839 D CB -0.096 40.739 40.800 0.059 0.000 1.260 839 D HN 0.440 nan 8.370 nan 0.000 0.637 840 A N -0.817 122.025 122.820 0.038 0.000 2.019 840 A HA -0.128 4.191 4.320 -0.001 0.000 0.219 840 A C 1.503 179.093 177.584 0.009 0.000 1.164 840 A CA 1.458 53.510 52.037 0.025 0.000 0.644 840 A CB -0.689 18.324 19.000 0.022 0.000 0.805 840 A HN 0.506 nan 8.150 nan 0.000 0.449 841 N N -1.780 116.925 118.700 0.008 0.000 2.382 841 N HA 0.075 4.814 4.740 -0.001 0.000 0.200 841 N C -0.478 175.022 175.510 -0.016 0.000 1.122 841 N CA 0.717 53.763 53.050 -0.006 0.000 0.870 841 N CB 0.713 39.199 38.487 -0.003 0.000 1.176 841 N HN 0.289 nan 8.380 nan 0.000 0.474 842 T N 0.626 115.175 114.554 -0.008 0.000 2.893 842 T HA 0.445 4.795 4.350 -0.001 0.000 0.293 842 T C -0.611 174.082 174.700 -0.012 0.000 1.027 842 T CA -0.647 61.443 62.100 -0.018 0.000 0.988 842 T CB 2.846 71.707 68.868 -0.011 0.000 1.043 842 T HN -0.045 nan 8.240 nan 0.000 0.461 843 R N 1.999 122.475 120.500 -0.039 0.000 2.686 843 R HA 0.730 5.069 4.340 -0.001 0.000 0.286 843 R C -1.942 174.335 176.300 -0.037 0.000 0.969 843 R CA -0.914 55.166 56.100 -0.035 0.000 0.898 843 R CB 1.321 31.540 30.300 -0.135 0.000 1.183 843 R HN 0.444 nan 8.270 nan 0.000 0.456 844 L N 2.585 123.816 121.223 0.012 0.000 2.349 844 L HA 0.495 4.834 4.340 -0.001 0.000 0.278 844 L C -1.281 175.628 176.870 0.066 0.000 0.996 844 L CA 0.062 54.902 54.840 0.000 0.000 0.825 844 L CB 2.236 44.282 42.059 -0.023 0.000 1.243 844 L HN 0.640 nan 8.230 nan 0.000 0.412 845 T N 5.658 120.231 114.554 0.031 0.000 2.792 845 T HA 0.547 4.896 4.350 -0.001 0.000 0.280 845 T C -1.008 173.753 174.700 0.102 0.000 0.990 845 T CA -0.291 61.867 62.100 0.096 0.000 0.960 845 T CB 1.373 70.222 68.868 -0.032 0.000 0.939 845 T HN 0.415 nan 8.240 nan 0.000 0.439 846 L N 5.184 126.503 121.223 0.160 0.000 2.298 846 L HA 0.522 4.861 4.340 -0.001 0.000 0.284 846 L C -1.243 175.770 176.870 0.239 0.000 1.013 846 L CA -0.735 54.209 54.840 0.173 0.000 0.824 846 L CB 0.528 42.668 42.059 0.134 0.000 1.221 846 L HN 0.422 nan 8.230 nan 0.000 0.418 847 L N 3.868 125.235 121.223 0.240 0.000 2.325 847 L HA 0.626 4.966 4.340 -0.001 0.000 0.279 847 L C 0.560 177.582 176.870 0.253 0.000 1.054 847 L CA -0.260 54.721 54.840 0.235 0.000 0.804 847 L CB 1.397 43.561 42.059 0.175 0.000 1.200 847 L HN 0.749 nan 8.230 nan 0.000 0.436 848 T N -2.232 112.424 114.554 0.170 0.000 2.912 848 T HA 0.614 4.964 4.350 -0.001 0.000 0.288 848 T C 0.705 175.370 174.700 -0.057 0.000 1.030 848 T CA -0.307 61.807 62.100 0.025 0.000 1.020 848 T CB 1.931 70.816 68.868 0.027 0.000 1.056 848 T HN 0.678 nan 8.240 nan 0.000 0.480 849 G N 1.227 109.918 108.800 -0.181 0.000 3.284 849 G HA2 0.414 4.374 3.960 -0.001 0.000 0.236 849 G HA3 0.414 4.374 3.960 -0.001 0.000 0.236 849 G C 0.156 174.992 174.900 -0.107 0.000 1.158 849 G CA -0.328 44.700 45.100 -0.121 0.000 0.774 849 G HN 0.963 nan 8.290 nan 0.000 0.545 850 Q N -0.176 119.554 119.800 -0.115 0.000 2.479 850 Q HA 0.280 4.619 4.340 -0.001 0.000 0.276 850 Q C -3.548 172.410 176.000 -0.070 0.000 0.989 850 Q CA -2.207 53.548 55.803 -0.079 0.000 0.864 850 Q CB 1.849 30.548 28.738 -0.064 0.000 1.444 850 Q HN 0.006 nan 8.270 nan 0.000 0.388 851 P HA 0.434 nan 4.420 nan 0.000 0.281 851 P C -0.708 176.575 177.300 -0.028 0.000 1.252 851 P CA -0.126 62.954 63.100 -0.033 0.000 0.778 851 P CB 0.971 32.660 31.700 -0.018 0.000 0.895 852 L N 1.828 123.030 121.223 -0.035 0.000 2.403 852 L HA 0.694 5.033 4.340 -0.001 0.000 0.253 852 L C 0.785 177.670 176.870 0.025 0.000 1.045 852 L CA -1.155 53.687 54.840 0.004 0.000 0.845 852 L CB 2.059 44.104 42.059 -0.023 0.000 1.447 852 L HN 0.334 nan 8.230 nan 0.000 0.411 853 G N -1.001 107.870 108.800 0.119 0.000 2.400 853 G HA2 0.676 4.636 3.960 -0.001 0.000 0.301 853 G HA3 0.676 4.636 3.960 -0.001 0.000 0.301 853 G C -0.534 174.382 174.900 0.027 0.000 1.154 853 G CA 0.052 45.276 45.100 0.206 0.000 0.852 853 G HN 0.861 nan 8.290 nan 0.000 0.511 854 G N -1.374 107.252 108.800 -0.289 0.000 2.600 854 G HA2 0.689 4.648 3.960 -0.001 0.000 0.293 854 G HA3 0.689 4.648 3.960 -0.001 0.000 0.293 854 G C -1.203 173.231 174.900 -0.778 0.000 1.408 854 G CA 0.383 45.112 45.100 -0.619 0.000 0.782 854 G HN 1.275 nan 8.290 nan 0.000 0.482 855 S N -1.903 113.413 115.700 -0.640 0.000 2.655 855 S HA 0.711 5.180 4.470 -0.001 0.000 0.266 855 S C -1.565 172.579 174.600 -0.761 0.000 1.149 855 S CA 0.304 58.135 58.200 -0.614 0.000 0.818 855 S CB 1.320 64.244 63.200 -0.459 0.000 1.130 855 S HN 1.534 nan 8.310 nan 0.000 0.476 856 S N 1.671 116.634 115.700 -1.229 0.000 2.718 856 S HA 0.494 4.963 4.470 -0.001 0.000 0.294 856 S C 0.137 174.491 174.600 -0.409 0.000 1.157 856 S CA -0.638 57.109 58.200 -0.755 0.000 1.121 856 S CB 0.000 62.699 63.200 -0.836 0.000 1.015 856 S HN 0.577 nan 8.310 nan 0.000 0.479 857 L N 3.259 124.382 121.223 -0.168 0.000 2.591 857 L HA 0.503 4.843 4.340 -0.001 0.000 0.228 857 L C 0.836 177.701 176.870 -0.007 0.000 1.133 857 L CA 0.229 55.050 54.840 -0.032 0.000 0.880 857 L CB 0.024 42.122 42.059 0.066 0.000 1.033 857 L HN 0.700 nan 8.230 nan 0.000 0.450 858 A N -1.236 121.567 122.820 -0.028 0.000 2.604 858 A HA 0.457 4.777 4.320 -0.001 0.000 0.295 858 A C -0.453 177.131 177.584 0.000 0.000 1.067 858 A CA -0.450 51.588 52.037 0.001 0.000 0.683 858 A CB 1.195 20.202 19.000 0.011 0.000 1.281 858 A HN -0.144 nan 8.150 nan 0.000 0.407 859 S N -0.059 115.655 115.700 0.022 0.000 2.558 859 S HA 0.395 4.864 4.470 -0.001 0.000 0.293 859 S C 1.537 176.159 174.600 0.036 0.000 1.292 859 S CA 1.928 60.149 58.200 0.035 0.000 1.063 859 S CB -0.061 63.163 63.200 0.039 0.000 0.831 859 S HN 2.660 nan 8.310 nan 0.000 0.499 860 G N 3.413 112.237 108.800 0.040 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 -0.175 174.724 174.900 -0.001 0.000 0.977 860 G CA 0.478 45.602 45.100 0.039 0.000 0.641 860 G HN 0.723 nan 8.290 nan 0.000 0.533 861 E N -0.390 119.794 120.200 -0.027 0.000 2.214 861 E HA 0.746 5.095 4.350 -0.001 0.000 0.274 861 E C -0.138 176.396 176.600 -0.110 0.000 0.977 861 E CA -0.687 55.672 56.400 -0.067 0.000 0.827 861 E CB 1.748 31.410 29.700 -0.063 0.000 1.130 861 E HN 0.265 nan 8.360 nan 0.000 0.394 862 L N 1.793 122.945 121.223 -0.119 0.000 2.370 862 L HA 0.490 4.829 4.340 -0.001 0.000 0.266 862 L C -0.488 176.305 176.870 -0.128 0.000 1.002 862 L CA -0.648 54.109 54.840 -0.138 0.000 0.818 862 L CB 1.954 43.962 42.059 -0.086 0.000 1.325 862 L HN 0.660 nan 8.230 nan 0.000 0.418 863 E N 2.712 122.829 120.200 -0.140 0.000 2.390 863 E HA 0.707 5.056 4.350 -0.001 0.000 0.277 863 E C -1.554 174.993 176.600 -0.089 0.000 0.939 863 E CA -0.844 55.506 56.400 -0.083 0.000 0.769 863 E CB 3.313 33.012 29.700 -0.002 0.000 1.251 863 E HN 0.539 nan 8.360 nan 0.000 0.450 864 I N 2.179 122.737 120.570 -0.021 0.000 2.610 864 I HA 0.319 4.489 4.170 -0.001 0.000 0.289 864 I C -1.473 174.705 176.117 0.100 0.000 1.163 864 I CA -1.103 60.205 61.300 0.014 0.000 1.044 864 I CB 1.953 39.965 38.000 0.020 0.000 1.251 864 I HN 0.787 nan 8.210 nan 0.000 0.424 865 M N 6.326 126.022 119.600 0.159 0.000 2.217 865 M HA 0.236 4.715 4.480 -0.001 0.000 0.354 865 M C 0.550 176.947 176.300 0.161 0.000 1.225 865 M CA 0.596 56.000 55.300 0.173 0.000 1.137 865 M CB 0.961 33.637 32.600 0.126 0.000 1.576 865 M HN 0.577 nan 8.290 nan 0.000 0.461 866 Q N 1.424 121.352 119.800 0.214 0.000 2.287 866 Q HA 0.258 4.597 4.340 -0.001 0.000 0.201 866 Q C -0.253 175.948 176.000 0.335 0.000 0.946 866 Q CA 0.836 56.832 55.803 0.322 0.000 0.868 866 Q CB 0.376 29.331 28.738 0.362 0.000 0.967 866 Q HN 0.763 nan 8.270 nan 0.000 0.516 867 D N -0.908 119.622 120.400 0.216 0.000 2.671 867 D HA 0.303 4.942 4.640 -0.001 0.000 0.273 867 D C -1.424 174.944 176.300 0.113 0.000 1.264 867 D CA -0.491 53.613 54.000 0.173 0.000 0.788 867 D CB 1.485 42.376 40.800 0.152 0.000 1.324 867 D HN 0.043 nan 8.370 nan 0.000 0.424 868 R N 0.739 121.294 120.500 0.092 0.000 2.548 868 R HA 0.663 5.002 4.340 -0.001 0.000 0.280 868 R C -1.104 175.237 176.300 0.068 0.000 1.061 868 R CA -1.042 55.096 56.100 0.065 0.000 0.915 868 R CB 2.049 32.360 30.300 0.018 0.000 1.210 868 R HN 0.308 nan 8.270 nan 0.000 0.442 869 R N 3.795 124.334 120.500 0.064 0.000 2.476 869 R HA 0.488 4.827 4.340 -0.001 0.000 0.305 869 R C -1.483 174.849 176.300 0.053 0.000 0.965 869 R CA -0.602 55.532 56.100 0.057 0.000 0.867 869 R CB 1.304 31.634 30.300 0.050 0.000 1.176 869 R HN 0.711 nan 8.270 nan 0.000 0.447 870 L N 3.989 125.242 121.223 0.050 0.000 2.406 870 L HA 0.520 4.859 4.340 -0.001 0.000 0.272 870 L C 0.682 177.576 176.870 0.040 0.000 0.980 870 L CA -0.505 54.363 54.840 0.046 0.000 0.831 870 L CB 2.175 44.262 42.059 0.046 0.000 1.253 870 L HN 0.814 nan 8.230 nan 0.000 0.406 871 A N 1.540 124.380 122.820 0.035 0.000 2.067 871 A HA 0.172 4.491 4.320 -0.001 0.000 0.217 871 A C 0.951 178.552 177.584 0.028 0.000 1.156 871 A CA 0.683 52.737 52.037 0.030 0.000 0.683 871 A CB 0.033 19.049 19.000 0.026 0.000 0.808 871 A HN 0.605 nan 8.150 nan 0.000 0.455 872 S N -0.285 115.432 115.700 0.028 0.000 2.638 872 S HA 0.423 4.892 4.470 -0.001 0.000 0.298 872 S C -0.721 173.899 174.600 0.032 0.000 1.111 872 S CA -0.658 57.557 58.200 0.025 0.000 1.027 872 S CB 1.490 64.701 63.200 0.019 0.000 1.064 872 S HN 0.469 nan 8.310 nan 0.000 0.525 873 D N 0.469 120.889 120.400 0.033 0.000 2.341 873 D HA 0.215 4.855 4.640 -0.001 0.000 0.245 873 D C -0.121 176.201 176.300 0.037 0.000 1.106 873 D CA -0.340 53.688 54.000 0.047 0.000 0.905 873 D CB 0.672 41.499 40.800 0.045 0.000 1.202 873 D HN 0.497 nan 8.370 nan 0.000 0.426 874 D N 2.140 122.570 120.400 0.051 0.000 2.525 874 D HA 0.067 4.707 4.640 -0.001 0.000 0.229 874 D C -0.322 175.954 176.300 -0.040 0.000 1.202 874 D CA -0.288 53.714 54.000 0.002 0.000 0.828 874 D CB -0.410 40.385 40.800 -0.009 0.000 1.008 874 D HN 0.672 nan 8.370 nan 0.000 0.493 875 E N -0.175 120.023 120.200 -0.003 0.000 2.637 875 E HA -0.201 4.149 4.350 -0.001 0.000 0.265 875 E C 0.004 176.577 176.600 -0.045 0.000 1.073 875 E CA 0.197 56.590 56.400 -0.012 0.000 0.778 875 E CB -0.603 29.085 29.700 -0.020 0.000 1.362 875 E HN 0.214 nan 8.360 nan 0.000 0.413 876 R N -0.527 119.921 120.500 -0.087 0.000 2.652 876 R HA 0.230 4.570 4.340 -0.001 0.000 0.372 876 R C 1.228 177.605 176.300 0.129 0.000 1.104 876 R CA 0.541 56.522 56.100 -0.199 0.000 1.072 876 R CB 0.750 30.487 30.300 -0.938 0.000 1.367 876 R HN 0.390 nan 8.270 nan 0.000 0.577 877 G N 0.846 109.788 108.800 0.237 0.000 2.195 877 G HA2 -0.315 3.644 3.960 -0.001 0.000 0.246 877 G HA3 -0.315 3.644 3.960 -0.001 0.000 0.246 877 G C 0.771 175.765 174.900 0.157 0.000 0.984 877 G CA 0.341 45.644 45.100 0.338 0.000 0.633 877 G HN 0.345 nan 8.290 nan 0.000 0.525 878 L N 1.278 122.691 121.223 0.317 0.000 2.093 878 L HA 0.449 4.789 4.340 -0.001 0.000 0.208 878 L C 2.199 179.057 176.870 -0.020 0.000 1.085 878 L CA 2.655 57.576 54.840 0.136 0.000 0.755 878 L CB -0.653 41.647 42.059 0.402 0.000 0.904 878 L HN 1.707 nan 8.230 nan 0.000 0.435 879 G N -0.159 108.665 108.800 0.041 0.000 2.221 879 G HA2 -0.295 3.665 3.960 -0.001 0.000 0.265 879 G HA3 -0.295 3.665 3.960 -0.001 0.000 0.265 879 G C 0.024 174.932 174.900 0.014 0.000 1.041 879 G CA 0.659 45.765 45.100 0.010 0.000 0.807 879 G HN 0.810 nan 8.290 nan 0.000 0.502 880 Q N -2.095 117.729 119.800 0.039 0.000 2.578 880 Q HA 0.669 5.009 4.340 -0.001 0.000 0.284 880 Q C 0.413 176.443 176.000 0.050 0.000 0.960 880 Q CA -0.627 55.198 55.803 0.037 0.000 0.809 880 Q CB 0.418 29.175 28.738 0.031 0.000 1.462 880 Q HN 0.958 nan 8.270 nan 0.000 0.392 881 G N 0.131 108.956 108.800 0.042 0.000 2.504 881 G HA2 0.495 4.455 3.960 -0.001 0.000 0.257 881 G HA3 0.495 4.455 3.960 -0.001 0.000 0.257 881 G C -0.898 174.029 174.900 0.046 0.000 1.451 881 G CA -0.574 44.552 45.100 0.043 0.000 1.059 881 G HN 0.415 nan 8.290 nan 0.000 0.550 882 V N 0.779 120.721 119.914 0.047 0.000 2.305 882 V HA 0.353 4.472 4.120 -0.001 0.000 0.275 882 V C -0.014 176.114 176.094 0.056 0.000 1.020 882 V CA -0.153 62.181 62.300 0.057 0.000 0.811 882 V CB 0.922 32.781 31.823 0.061 0.000 1.031 882 V HN 0.530 nan 8.190 nan 0.000 0.439 883 L N 3.575 124.831 121.223 0.054 0.000 3.358 883 L HA 0.344 4.684 4.340 -0.001 0.000 0.301 883 L C 0.498 177.396 176.870 0.046 0.000 1.276 883 L CA 0.008 54.876 54.840 0.045 0.000 1.028 883 L CB 0.729 42.810 42.059 0.036 0.000 1.421 883 L HN 0.667 nan 8.230 nan 0.000 0.604 884 D N -2.342 118.094 120.400 0.060 0.000 2.501 884 D HA 0.062 4.701 4.640 -0.001 0.000 0.226 884 D C 0.138 176.478 176.300 0.067 0.000 1.198 884 D CA -0.469 53.567 54.000 0.060 0.000 0.830 884 D CB -0.330 40.514 40.800 0.074 0.000 1.014 884 D HN 0.073 nan 8.370 nan 0.000 0.496 885 N N 1.731 120.468 118.700 0.062 0.000 2.345 885 N HA 0.094 4.833 4.740 -0.001 0.000 0.243 885 N C 0.188 175.705 175.510 0.012 0.000 1.246 885 N CA 0.420 53.505 53.050 0.059 0.000 0.863 885 N CB 0.633 39.152 38.487 0.053 0.000 1.096 885 N HN 0.327 nan 8.380 nan 0.000 0.446 886 K N -0.374 120.018 120.400 -0.014 0.000 2.512 886 K HA 0.563 4.883 4.320 -0.001 0.000 0.263 886 K C -3.236 173.329 176.600 -0.059 0.000 0.966 886 K CA -2.037 54.199 56.287 -0.085 0.000 0.851 886 K CB 1.176 33.543 32.500 -0.222 0.000 1.395 886 K HN 0.120 nan 8.250 nan 0.000 0.440 887 P HA -0.026 nan 4.420 nan 0.000 0.264 887 P C -1.048 176.262 177.300 0.016 0.000 1.183 887 P CA -0.399 62.673 63.100 -0.047 0.000 0.763 887 P CB 0.699 32.361 31.700 -0.064 0.000 0.807 888 V N 5.086 124.979 119.914 -0.034 0.000 2.760 888 V HA 0.443 4.563 4.120 -0.001 0.000 0.309 888 V C -1.318 174.644 176.094 -0.219 0.000 1.077 888 V CA -1.092 61.167 62.300 -0.069 0.000 0.910 888 V CB 2.137 33.900 31.823 -0.100 0.000 1.008 888 V HN 0.276 nan 8.190 nan 0.000 0.424 889 L N 7.101 128.222 121.223 -0.170 0.000 2.270 889 L HA 0.582 4.922 4.340 -0.001 0.000 0.286 889 L C -0.308 176.528 176.870 -0.057 0.000 1.059 889 L CA 0.179 54.949 54.840 -0.116 0.000 0.839 889 L CB 0.231 42.245 42.059 -0.075 0.000 1.221 889 L HN 0.691 nan 8.230 nan 0.000 0.431 890 H N 5.635 124.712 119.070 0.011 0.000 2.525 890 H HA 0.483 5.039 4.556 -0.001 0.000 0.339 890 H C -0.076 175.143 175.328 -0.181 0.000 1.109 890 H CA -0.231 55.766 56.048 -0.084 0.000 1.352 890 H CB 1.263 31.036 29.762 0.019 0.000 1.461 890 H HN 0.685 nan 8.280 nan 0.000 0.533 891 I N 0.157 120.555 120.570 -0.286 0.000 2.689 891 I HA 0.612 4.781 4.170 -0.001 0.000 0.299 891 I C -1.447 174.326 176.117 -0.573 0.000 1.059 891 I CA -0.942 60.202 61.300 -0.261 0.000 1.055 891 I CB 2.134 40.080 38.000 -0.090 0.000 1.243 891 I HN 0.248 nan 8.210 nan 0.000 0.425 892 Y N 2.515 122.858 120.300 0.072 0.000 2.638 892 Y HA 0.677 5.226 4.550 -0.001 0.000 0.335 892 Y C -0.669 175.279 175.900 0.080 0.000 1.155 892 Y CA -1.098 57.051 58.100 0.083 0.000 1.046 892 Y CB 1.543 40.071 38.460 0.113 0.000 1.303 892 Y HN 0.418 nan 8.280 nan 0.000 0.460 893 R N 1.438 122.095 120.500 0.262 0.000 2.670 893 R HA 0.606 4.946 4.340 -0.001 0.000 0.289 893 R C -1.878 174.531 176.300 0.182 0.000 0.965 893 R CA -1.125 55.084 56.100 0.181 0.000 0.899 893 R CB 2.622 32.989 30.300 0.112 0.000 1.173 893 R HN 0.644 nan 8.270 nan 0.000 0.456 894 L N 2.645 123.957 121.223 0.148 0.000 2.316 894 L HA 0.414 4.754 4.340 -0.001 0.000 0.280 894 L C -1.191 175.708 176.870 0.048 0.000 1.006 894 L CA -0.564 54.341 54.840 0.108 0.000 0.836 894 L CB 1.792 43.930 42.059 0.132 0.000 1.221 894 L HN 0.314 nan 8.230 nan 0.000 0.418 895 V N 6.270 126.196 119.914 0.020 0.000 2.326 895 V HA 0.399 4.519 4.120 -0.001 0.000 0.281 895 V C -0.337 175.732 176.094 -0.042 0.000 1.015 895 V CA -0.574 61.718 62.300 -0.012 0.000 0.823 895 V CB 1.377 33.186 31.823 -0.024 0.000 1.009 895 V HN 0.634 nan 8.190 nan 0.000 0.436 896 L N 5.343 126.537 121.223 -0.048 0.000 2.289 896 L HA 0.692 5.032 4.340 -0.001 0.000 0.285 896 L C -0.143 176.688 176.870 -0.065 0.000 1.049 896 L CA 0.649 55.452 54.840 -0.062 0.000 0.804 896 L CB 1.118 43.137 42.059 -0.067 0.000 1.195 896 L HN 0.730 nan 8.230 nan 0.000 0.428 897 E N 3.693 123.848 120.200 -0.075 0.000 2.356 897 E HA 0.420 4.769 4.350 -0.001 0.000 0.275 897 E C -1.282 175.273 176.600 -0.074 0.000 0.904 897 E CA -1.201 55.151 56.400 -0.080 0.000 0.757 897 E CB 1.526 31.162 29.700 -0.106 0.000 1.232 897 E HN 0.258 nan 8.360 nan 0.000 0.442 898 K N 1.366 121.726 120.400 -0.066 0.000 2.276 898 K HA 0.184 4.503 4.320 -0.001 0.000 0.283 898 K C 0.458 177.017 176.600 -0.069 0.000 1.044 898 K CA -0.180 56.073 56.287 -0.058 0.000 0.944 898 K CB 1.196 33.667 32.500 -0.048 0.000 1.012 898 K HN 0.494 nan 8.250 nan 0.000 0.472 899 V N -0.497 119.378 119.914 -0.065 0.000 3.252 899 V HA 0.026 4.145 4.120 -0.001 0.000 0.320 899 V C 1.145 177.207 176.094 -0.054 0.000 1.459 899 V CA -0.261 61.994 62.300 -0.076 0.000 1.095 899 V CB -0.244 31.517 31.823 -0.104 0.000 0.997 899 V HN 0.637 nan 8.190 nan 0.000 0.469 900 N N 1.412 120.089 118.700 -0.039 0.000 2.289 900 N HA -0.189 4.550 4.740 -0.001 0.000 0.184 900 N C 1.053 176.545 175.510 -0.030 0.000 1.016 900 N CA 1.746 54.779 53.050 -0.027 0.000 0.872 900 N CB -0.526 37.949 38.487 -0.020 0.000 0.973 900 N HN 0.545 nan 8.380 nan 0.000 0.433 901 N N 0.048 118.726 118.700 -0.038 0.000 2.353 901 N HA 0.068 4.808 4.740 -0.001 0.000 0.185 901 N C -0.257 175.225 175.510 -0.047 0.000 1.098 901 N CA -0.082 52.946 53.050 -0.038 0.000 0.872 901 N CB 0.069 38.533 38.487 -0.038 0.000 0.970 901 N HN 0.223 nan 8.380 nan 0.000 0.467 902 c N 1.333 119.899 118.600 -0.057 0.000 2.601 902 c HA 0.249 4.818 4.570 -0.001 0.000 0.409 902 c C 1.052 175.107 174.090 -0.058 0.000 1.293 902 c CA -0.969 55.318 56.329 -0.069 0.000 2.101 902 c CB 0.687 43.142 42.510 -0.092 0.000 2.639 902 c HN 0.005 nan 8.230 nan 0.000 0.592 903 V N 5.690 125.566 119.914 -0.064 0.000 2.370 903 V HA 0.188 4.307 4.120 -0.001 0.000 0.257 903 V C 0.663 176.722 176.094 -0.059 0.000 1.064 903 V CA 0.435 62.702 62.300 -0.056 0.000 0.975 903 V CB -0.694 31.092 31.823 -0.062 0.000 1.067 903 V HN 0.792 nan 8.190 nan 0.000 0.485 904 R N 4.700 125.178 120.500 -0.037 0.000 2.720 904 R HA 0.541 4.881 4.340 -0.001 0.000 0.272 904 R C -2.439 173.857 176.300 -0.006 0.000 0.991 904 R CA -1.848 54.239 56.100 -0.021 0.000 1.010 904 R CB 1.081 31.372 30.300 -0.014 0.000 1.141 904 R HN 0.399 nan 8.270 nan 0.000 0.494 905 P HA -0.033 nan 4.420 nan 0.000 0.270 905 P C -0.357 176.985 177.300 0.070 0.000 1.223 905 P CA -0.218 62.871 63.100 -0.019 0.000 0.785 905 P CB 0.589 32.200 31.700 -0.149 0.000 0.923 906 S N 1.090 116.858 115.700 0.113 0.000 2.598 906 S HA 0.058 4.528 4.470 -0.001 0.000 0.256 906 S C 1.062 175.744 174.600 0.136 0.000 1.350 906 S CA -0.089 58.179 58.200 0.115 0.000 0.984 906 S CB 0.264 63.533 63.200 0.114 0.000 0.930 906 S HN 0.321 nan 8.310 nan 0.000 0.577 907 K N 0.152 120.614 120.400 0.103 0.000 2.280 907 K HA 0.067 4.387 4.320 -0.001 0.000 0.202 907 K C 1.486 178.142 176.600 0.093 0.000 1.047 907 K CA 1.118 57.462 56.287 0.096 0.000 0.942 907 K CB -0.528 32.012 32.500 0.067 0.000 0.739 907 K HN 0.539 nan 8.250 nan 0.000 0.457 908 L N -0.091 121.189 121.223 0.096 0.000 2.567 908 L HA 0.043 4.382 4.340 -0.001 0.000 0.225 908 L C 1.008 177.929 176.870 0.085 0.000 1.119 908 L CA -0.205 54.676 54.840 0.068 0.000 0.871 908 L CB -0.213 41.872 42.059 0.044 0.000 1.036 908 L HN 0.240 nan 8.230 nan 0.000 0.459 909 H N 2.569 121.678 119.070 0.064 0.000 2.803 909 H HA 0.085 4.641 4.556 -0.001 0.000 0.330 909 H C -1.718 173.651 175.328 0.069 0.000 1.057 909 H CA -1.372 54.727 56.048 0.084 0.000 1.458 909 H CB 1.774 31.613 29.762 0.129 0.000 1.470 909 H HN -0.083 nan 8.280 nan 0.000 0.560 910 P HA 0.118 nan 4.420 nan 0.000 0.241 910 P C -0.381 177.022 177.300 0.171 0.000 1.191 910 P CA 0.235 63.367 63.100 0.053 0.000 0.771 910 P CB 0.477 32.138 31.700 -0.066 0.000 0.929 911 A N -0.327 122.767 122.820 0.455 0.000 2.299 911 A HA 0.748 5.067 4.320 -0.001 0.000 0.332 911 A C 0.321 177.967 177.584 0.102 0.000 1.131 911 A CA -0.281 51.895 52.037 0.232 0.000 0.844 911 A CB 0.995 20.122 19.000 0.213 0.000 1.251 911 A HN 0.166 nan 8.150 nan 0.000 0.486 912 G N -1.380 107.349 108.800 -0.117 0.000 2.658 912 G HA2 0.633 4.593 3.960 -0.001 0.000 0.292 912 G HA3 0.633 4.593 3.960 -0.001 0.000 0.292 912 G C -1.866 172.640 174.900 -0.658 0.000 1.320 912 G CA -0.417 44.516 45.100 -0.280 0.000 0.933 912 G HN 0.530 nan 8.290 nan 0.000 0.476 913 Y N -0.749 119.516 120.300 -0.058 0.000 2.492 913 Y HA 0.476 5.026 4.550 -0.001 0.000 0.346 913 Y C 0.398 176.050 175.900 -0.413 0.000 0.997 913 Y CA -0.855 57.139 58.100 -0.178 0.000 1.025 913 Y CB 1.979 40.328 38.460 -0.185 0.000 1.263 913 Y HN 0.350 nan 8.280 nan 0.000 0.454 914 L N 2.290 123.336 121.223 -0.295 0.000 2.464 914 L HA 0.318 4.657 4.340 -0.001 0.000 0.264 914 L C 0.803 177.515 176.870 -0.263 0.000 1.199 914 L CA -0.427 54.161 54.840 -0.419 0.000 0.818 914 L CB 0.650 42.542 42.059 -0.279 0.000 1.102 914 L HN 0.794 nan 8.230 nan 0.000 0.473 915 T N -2.180 112.211 114.554 -0.271 0.000 2.816 915 T HA 0.140 4.489 4.350 -0.001 0.000 0.282 915 T C 1.170 175.818 174.700 -0.087 0.000 0.993 915 T CA -0.584 61.411 62.100 -0.174 0.000 0.994 915 T CB 1.331 70.092 68.868 -0.178 0.000 1.025 915 T HN 0.560 nan 8.240 nan 0.000 0.529 916 S N 0.989 116.651 115.700 -0.063 0.000 2.365 916 S HA -0.158 4.312 4.470 -0.001 0.000 0.225 916 S C 2.505 177.116 174.600 0.018 0.000 1.039 916 S CA 1.375 59.571 58.200 -0.006 0.000 1.033 916 S CB -1.125 62.057 63.200 -0.030 0.000 0.887 916 S HN 0.912 nan 8.310 nan 0.000 0.447 917 A N 1.416 124.223 122.820 -0.022 0.000 1.908 917 A HA 0.071 4.390 4.320 -0.001 0.000 0.218 917 A C 2.354 179.932 177.584 -0.010 0.000 1.181 917 A CA 1.835 53.862 52.037 -0.017 0.000 0.627 917 A CB -1.058 17.922 19.000 -0.034 0.000 0.818 917 A HN 0.543 nan 8.150 nan 0.000 0.445 918 A N -1.136 121.665 122.820 -0.031 0.000 1.897 918 A HA -0.088 4.232 4.320 -0.001 0.000 0.215 918 A C 2.011 179.619 177.584 0.041 0.000 1.181 918 A CA 1.954 53.974 52.037 -0.027 0.000 0.620 918 A CB -0.834 18.092 19.000 -0.123 0.000 0.821 918 A HN 0.755 nan 8.150 nan 0.000 0.443 919 H N 0.206 119.259 119.070 -0.027 0.000 2.293 919 H HA -0.068 4.488 4.556 -0.001 0.000 0.300 919 H C 1.939 177.303 175.328 0.060 0.000 1.082 919 H CA 2.281 58.349 56.048 0.035 0.000 1.308 919 H CB -0.124 29.651 29.762 0.023 0.000 1.375 919 H HN 0.412 nan 8.280 nan 0.000 0.495 920 K N -0.213 120.153 120.400 -0.057 0.000 2.103 920 K HA -0.115 4.205 4.320 -0.001 0.000 0.207 920 K C 2.395 178.963 176.600 -0.054 0.000 1.048 920 K CA 0.966 57.204 56.287 -0.081 0.000 0.930 920 K CB -0.184 32.314 32.500 -0.004 0.000 0.716 920 K HN 0.393 nan 8.250 nan 0.000 0.444 921 A N 0.893 123.702 122.820 -0.017 0.000 1.902 921 A HA -0.203 4.117 4.320 -0.001 0.000 0.217 921 A C 2.225 179.815 177.584 0.009 0.000 1.181 921 A CA 2.080 54.121 52.037 0.008 0.000 0.623 921 A CB -0.720 18.298 19.000 0.029 0.000 0.818 921 A HN 0.287 nan 8.150 nan 0.000 0.443 922 S N -0.670 115.037 115.700 0.012 0.000 2.368 922 S HA -0.247 4.222 4.470 -0.001 0.000 0.225 922 S C 2.146 176.737 174.600 -0.016 0.000 1.030 922 S CA 1.775 59.997 58.200 0.037 0.000 0.999 922 S CB -0.418 62.847 63.200 0.109 0.000 0.844 922 S HN 0.679 nan 8.310 nan 0.000 0.459 923 Q N 0.569 120.313 119.800 -0.093 0.000 2.170 923 Q HA -0.096 4.243 4.340 -0.001 0.000 0.203 923 Q C 2.489 178.452 176.000 -0.062 0.000 0.976 923 Q CA 1.675 57.429 55.803 -0.082 0.000 0.858 923 Q CB -0.318 28.353 28.738 -0.112 0.000 0.907 923 Q HN 0.814 nan 8.270 nan 0.000 0.433 924 S N 0.204 115.875 115.700 -0.047 0.000 2.423 924 S HA -0.078 4.392 4.470 -0.001 0.000 0.231 924 S C 1.847 176.406 174.600 -0.068 0.000 1.014 924 S CA 0.675 58.846 58.200 -0.048 0.000 0.965 924 S CB -0.218 62.969 63.200 -0.022 0.000 0.785 924 S HN 0.283 nan 8.310 nan 0.000 0.495 925 L N 0.035 121.226 121.223 -0.053 0.000 2.168 925 L HA 0.223 4.562 4.340 -0.001 0.000 0.203 925 L C 2.526 179.337 176.870 -0.098 0.000 1.078 925 L CA 0.723 55.526 54.840 -0.061 0.000 0.780 925 L CB -0.386 41.655 42.059 -0.029 0.000 0.939 925 L HN 0.277 nan 8.230 nan 0.000 0.451 926 L N -1.124 120.046 121.223 -0.089 0.000 2.202 926 L HA 0.026 4.365 4.340 -0.001 0.000 0.205 926 L C 0.188 176.944 176.870 -0.190 0.000 1.083 926 L CA 0.814 55.587 54.840 -0.111 0.000 0.790 926 L CB 0.075 42.095 42.059 -0.066 0.000 0.942 926 L HN 0.215 nan 8.230 nan 0.000 0.452 927 D N 0.430 120.708 120.400 -0.204 0.000 2.613 927 D HA 0.235 4.874 4.640 -0.001 0.000 0.312 927 D C -2.347 173.761 176.300 -0.320 0.000 1.202 927 D CA -0.988 52.825 54.000 -0.311 0.000 0.825 927 D CB 1.308 42.115 40.800 0.012 0.000 1.113 927 D HN 0.064 nan 8.370 nan 0.000 0.502 928 P HA 0.122 nan 4.420 nan 0.000 0.275 928 P C 0.599 177.794 177.300 -0.176 0.000 1.266 928 P CA -0.509 62.448 63.100 -0.238 0.000 0.793 928 P CB 1.489 33.057 31.700 -0.221 0.000 1.074 929 L N 0.747 121.914 121.223 -0.094 0.000 2.485 929 L HA 0.070 4.409 4.340 -0.001 0.000 0.275 929 L C 0.889 177.751 176.870 -0.014 0.000 1.207 929 L CA 0.439 55.262 54.840 -0.028 0.000 0.855 929 L CB -0.344 41.707 42.059 -0.014 0.000 1.114 929 L HN 0.278 nan 8.230 nan 0.000 0.485 930 D N 3.336 123.791 120.400 0.091 0.000 2.255 930 D HA 0.308 4.948 4.640 -0.001 0.000 0.249 930 D C -0.308 175.974 176.300 -0.031 0.000 1.078 930 D CA -0.260 53.731 54.000 -0.015 0.000 0.896 930 D CB 1.618 42.450 40.800 0.053 0.000 1.194 930 D HN 0.373 nan 8.370 nan 0.000 0.429 931 K N 1.390 121.644 120.400 -0.242 0.000 2.292 931 K HA 0.478 4.797 4.320 -0.001 0.000 0.257 931 K C -1.000 175.478 176.600 -0.203 0.000 0.940 931 K CA -0.654 55.614 56.287 -0.031 0.000 0.811 931 K CB 1.566 34.021 32.500 -0.075 0.000 1.120 931 K HN 0.233 nan 8.250 nan 0.000 0.428 932 F N 2.699 122.827 119.950 0.296 0.000 2.529 932 F HA 0.479 5.005 4.527 -0.001 0.000 0.320 932 F C -0.039 176.043 175.800 0.470 0.000 1.118 932 F CA -0.878 57.291 58.000 0.282 0.000 0.915 932 F CB 1.251 40.238 39.000 -0.020 0.000 1.161 932 F HN 0.198 nan 8.300 nan 0.000 0.445 933 I N 3.560 124.500 120.570 0.616 0.000 2.354 933 I HA 0.226 4.395 4.170 -0.001 0.000 0.292 933 I C -0.476 175.927 176.117 0.478 0.000 0.989 933 I CA -0.844 60.749 61.300 0.490 0.000 1.188 933 I CB 1.179 39.367 38.000 0.313 0.000 1.342 933 I HN 0.438 nan 8.210 nan 0.000 0.457 934 F N 5.650 125.760 119.950 0.267 0.000 2.578 934 F HA 0.187 4.714 4.527 -0.001 0.000 0.376 934 F C 1.210 176.931 175.800 -0.131 0.000 1.085 934 F CA 0.112 57.972 58.000 -0.233 0.000 1.260 934 F CB 1.148 40.033 39.000 -0.191 0.000 1.095 934 F HN 0.612 nan 8.300 nan 0.000 0.573 935 A N 4.477 126.710 122.820 -0.978 0.000 1.935 935 A HA 0.048 4.368 4.320 -0.001 0.000 0.214 935 A C 0.921 178.219 177.584 -0.476 0.000 1.178 935 A CA 0.602 52.291 52.037 -0.580 0.000 0.640 935 A CB -0.449 18.220 19.000 -0.553 0.000 0.825 935 A HN 0.799 nan 8.150 nan 0.000 0.447 936 E N -0.677 119.072 120.200 -0.752 0.000 2.561 936 E HA 0.201 4.550 4.350 -0.001 0.000 0.254 936 E C 0.220 176.929 176.600 0.182 0.000 1.213 936 E CA -0.684 55.613 56.400 -0.172 0.000 0.995 936 E CB 0.254 29.920 29.700 -0.055 0.000 1.233 936 E HN 0.174 nan 8.360 nan 0.000 0.556 937 N N 0.382 119.208 118.700 0.211 0.000 2.250 937 N HA -0.070 4.669 4.740 -0.001 0.000 0.181 937 N C -0.332 175.338 175.510 0.266 0.000 1.017 937 N CA 0.900 54.080 53.050 0.216 0.000 0.866 937 N CB 0.231 38.797 38.487 0.132 0.000 0.985 937 N HN 0.432 nan 8.380 nan 0.000 0.429 938 E N -0.681 119.695 120.200 0.293 0.000 2.256 938 E HA 0.120 4.469 4.350 -0.001 0.000 0.268 938 E C -1.536 175.139 176.600 0.126 0.000 0.877 938 E CA -0.721 55.770 56.400 0.151 0.000 0.757 938 E CB 1.140 30.893 29.700 0.087 0.000 1.183 938 E HN 0.012 nan 8.360 nan 0.000 0.418 939 W N 7.898 128.864 121.300 -0.556 0.000 2.295 939 W HA 0.407 5.067 4.660 -0.001 0.000 0.333 939 W C -1.374 174.934 176.519 -0.352 0.000 0.990 939 W CA -1.452 55.407 57.345 -0.809 0.000 1.453 939 W CB -0.153 28.310 29.460 -1.663 0.000 1.263 939 W HN 0.455 nan 8.180 nan 0.000 0.380 940 I N 6.163 126.818 120.570 0.142 0.000 2.533 940 I HA 0.269 4.439 4.170 -0.001 0.000 0.284 940 I C 1.510 177.625 176.117 -0.004 0.000 1.109 940 I CA 1.190 62.510 61.300 0.032 0.000 1.412 940 I CB 0.526 38.574 38.000 0.079 0.000 1.396 940 I HN 0.796 nan 8.210 nan 0.000 0.543 941 G N 4.265 112.973 108.800 -0.153 0.000 2.143 941 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.249 941 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.249 941 G C 0.386 175.054 174.900 -0.386 0.000 0.981 941 G CA -0.124 44.870 45.100 -0.177 0.000 0.665 941 G HN 1.014 nan 8.290 nan 0.000 0.528 942 A N -0.359 121.969 122.820 -0.820 0.000 2.498 942 A HA 0.572 4.891 4.320 -0.001 0.000 0.239 942 A C 0.596 177.771 177.584 -0.682 0.000 1.068 942 A CA 0.742 51.948 52.037 -1.384 0.000 0.766 942 A CB 0.261 18.058 19.000 -2.004 0.000 1.003 942 A HN 0.636 nan 8.150 nan 0.000 0.497 943 Q N 0.848 120.332 119.800 -0.525 0.000 2.351 943 Q HA 0.525 4.864 4.340 -0.001 0.000 0.273 943 Q C 1.092 176.988 176.000 -0.173 0.000 1.077 943 Q CA -0.272 55.381 55.803 -0.250 0.000 0.843 943 Q CB 1.835 30.494 28.738 -0.132 0.000 1.367 943 Q HN 0.782 nan 8.270 nan 0.000 0.449 944 G N 0.052 108.784 108.800 -0.112 0.000 2.539 944 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.215 944 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.215 944 G C 0.210 175.086 174.900 -0.039 0.000 1.141 944 G CA 0.568 45.614 45.100 -0.090 0.000 0.806 944 G HN 0.440 nan 8.290 nan 0.000 0.533 945 Q N -1.381 118.413 119.800 -0.011 0.000 2.426 945 Q HA 0.512 4.851 4.340 -0.001 0.000 0.278 945 Q C -2.364 173.660 176.000 0.041 0.000 1.007 945 Q CA -0.909 54.900 55.803 0.010 0.000 0.850 945 Q CB 2.240 30.969 28.738 -0.015 0.000 1.427 945 Q HN 0.059 nan 8.270 nan 0.000 0.391 946 F N 1.495 121.352 119.950 -0.154 0.000 2.556 946 F HA 0.654 5.181 4.527 -0.001 0.000 0.314 946 F C 0.556 176.104 175.800 -0.419 0.000 1.106 946 F CA 0.436 58.277 58.000 -0.265 0.000 0.911 946 F CB 2.030 40.882 39.000 -0.247 0.000 1.190 946 F HN 0.676 nan 8.300 nan 0.000 0.448 947 G N 3.121 110.951 108.800 -1.617 0.000 2.141 947 G HA2 -0.238 3.722 3.960 -0.001 0.000 0.231 947 G HA3 -0.238 3.722 3.960 -0.001 0.000 0.231 947 G C 1.059 175.284 174.900 -1.125 0.000 0.984 947 G CA 0.261 44.123 45.100 -2.065 0.000 0.660 947 G HN 1.551 nan 8.290 nan 0.000 0.525 948 G N 1.307 109.740 108.800 -0.612 0.000 2.485 948 G HA2 -0.074 3.886 3.960 -0.001 0.000 0.221 948 G HA3 -0.074 3.886 3.960 -0.001 0.000 0.221 948 G C 1.284 176.117 174.900 -0.111 0.000 1.115 948 G CA 1.864 46.841 45.100 -0.205 0.000 0.751 948 G HN 0.869 nan 8.290 nan 0.000 0.567 949 D N -0.690 119.561 120.400 -0.247 0.000 2.339 949 D HA 0.009 4.649 4.640 -0.001 0.000 0.217 949 D C 0.402 176.690 176.300 -0.021 0.000 1.050 949 D CA -0.417 53.528 54.000 -0.093 0.000 0.856 949 D CB -0.891 39.862 40.800 -0.077 0.000 0.922 949 D HN 0.480 nan 8.370 nan 0.000 0.518 950 H N 1.169 120.123 119.070 -0.194 0.000 2.848 950 H HA 0.213 4.768 4.556 -0.001 0.000 0.341 950 H C -1.974 173.310 175.328 -0.072 0.000 1.060 950 H CA -1.694 54.262 56.048 -0.154 0.000 1.444 950 H CB 0.531 30.150 29.762 -0.240 0.000 1.446 950 H HN 0.014 nan 8.280 nan 0.000 0.583 951 P HA -0.053 nan 4.420 nan 0.000 0.268 951 P C -0.594 176.753 177.300 0.078 0.000 1.205 951 P CA 0.058 63.202 63.100 0.073 0.000 0.771 951 P CB 0.748 32.468 31.700 0.032 0.000 0.858 952 S N 2.246 118.022 115.700 0.127 0.000 2.466 952 S HA 0.579 5.048 4.470 -0.001 0.000 0.313 952 S C -0.001 174.678 174.600 0.132 0.000 1.078 952 S CA -0.583 57.723 58.200 0.177 0.000 1.115 952 S CB -0.721 62.702 63.200 0.370 0.000 1.006 952 S HN 0.492 nan 8.310 nan 0.000 0.487 953 A N 4.332 127.227 122.820 0.125 0.000 2.332 953 A HA 0.533 4.853 4.320 -0.001 0.000 0.258 953 A C 0.529 178.158 177.584 0.074 0.000 1.087 953 A CA -0.581 51.505 52.037 0.081 0.000 0.802 953 A CB 0.208 19.258 19.000 0.084 0.000 1.042 953 A HN 0.912 nan 8.150 nan 0.000 0.489 954 R N 0.060 120.571 120.500 0.018 0.000 2.697 954 R HA -0.047 4.293 4.340 -0.001 0.000 0.265 954 R C 1.444 177.742 176.300 -0.004 0.000 1.009 954 R CA 1.037 57.129 56.100 -0.013 0.000 1.099 954 R CB 0.320 30.599 30.300 -0.036 0.000 0.965 954 R HN 0.909 nan 8.270 nan 0.000 0.428 955 E N 1.794 121.959 120.200 -0.059 0.000 2.265 955 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 955 E C 0.280 176.893 176.600 0.022 0.000 0.996 955 E CA 1.523 57.866 56.400 -0.095 0.000 0.832 955 E CB -0.059 29.570 29.700 -0.119 0.000 0.756 955 E HN 0.774 nan 8.360 nan 0.000 0.491 956 D N 0.620 120.999 120.400 -0.035 0.000 2.340 956 D HA -0.000 4.639 4.640 -0.001 0.000 0.220 956 D C 0.350 176.631 176.300 -0.031 0.000 1.039 956 D CA -0.151 53.783 54.000 -0.110 0.000 0.866 956 D CB -0.015 40.670 40.800 -0.191 0.000 0.913 956 D HN 0.174 nan 8.370 nan 0.000 0.523 957 L N 0.864 122.119 121.223 0.054 0.000 2.309 957 L HA 0.522 4.861 4.340 -0.001 0.000 0.282 957 L C -1.130 175.861 176.870 0.202 0.000 1.036 957 L CA -0.440 54.454 54.840 0.091 0.000 0.806 957 L CB 1.636 43.734 42.059 0.066 0.000 1.220 957 L HN -0.217 nan 8.230 nan 0.000 0.429 958 D N 2.431 122.974 120.400 0.238 0.000 2.671 958 D HA 0.373 5.012 4.640 -0.001 0.000 0.232 958 D C -1.306 175.155 176.300 0.267 0.000 1.114 958 D CA -0.267 53.900 54.000 0.278 0.000 0.858 958 D CB 2.424 43.439 40.800 0.358 0.000 1.544 958 D HN 0.236 nan 8.370 nan 0.000 0.471 959 V N 3.437 123.487 119.914 0.227 0.000 2.258 959 V HA 0.126 4.246 4.120 -0.001 0.000 0.258 959 V C 1.287 177.519 176.094 0.230 0.000 1.121 959 V CA -0.033 62.412 62.300 0.241 0.000 0.942 959 V CB 0.423 32.374 31.823 0.213 0.000 1.170 959 V HN 0.582 nan 8.190 nan 0.000 0.487 960 S N 3.009 118.876 115.700 0.277 0.000 2.382 960 S HA -0.010 4.460 4.470 -0.001 0.000 0.228 960 S C 0.665 175.328 174.600 0.104 0.000 1.027 960 S CA 0.836 59.156 58.200 0.199 0.000 0.991 960 S CB 0.167 63.544 63.200 0.294 0.000 0.823 960 S HN 0.500 nan 8.310 nan 0.000 0.469 961 V N 1.518 121.531 119.914 0.164 0.000 2.686 961 V HA 0.519 4.638 4.120 -0.001 0.000 0.306 961 V C -0.763 175.404 176.094 0.122 0.000 1.065 961 V CA -0.565 61.807 62.300 0.119 0.000 0.894 961 V CB 1.901 33.820 31.823 0.160 0.000 1.004 961 V HN 0.360 nan 8.190 nan 0.000 0.424 962 M N 5.518 125.112 119.600 -0.011 0.000 2.197 962 M HA 0.692 5.171 4.480 -0.001 0.000 0.301 962 M C -1.023 175.111 176.300 -0.277 0.000 0.987 962 M CA -0.521 54.642 55.300 -0.229 0.000 0.921 962 M CB 1.524 33.993 32.600 -0.219 0.000 1.569 962 M HN 0.756 nan 8.290 nan 0.000 0.431 963 R N 4.187 124.451 120.500 -0.394 0.000 2.510 963 R HA 0.421 4.760 4.340 -0.001 0.000 0.294 963 R C -1.380 174.688 176.300 -0.387 0.000 1.056 963 R CA -0.685 55.235 56.100 -0.301 0.000 0.918 963 R CB 1.743 31.947 30.300 -0.160 0.000 1.187 963 R HN 0.902 nan 8.270 nan 0.000 0.437 964 R N 4.470 124.798 120.500 -0.287 0.000 2.442 964 R HA 0.114 4.453 4.340 -0.001 0.000 0.291 964 R C 0.207 176.393 176.300 -0.190 0.000 1.069 964 R CA 0.122 56.081 56.100 -0.234 0.000 1.022 964 R CB 0.598 30.817 30.300 -0.135 0.000 0.976 964 R HN 0.717 nan 8.270 nan 0.000 0.443 965 L N 3.011 124.115 121.223 -0.198 0.000 2.616 965 L HA 0.138 4.477 4.340 -0.001 0.000 0.229 965 L C 0.347 177.164 176.870 -0.089 0.000 1.110 965 L CA 0.068 54.813 54.840 -0.159 0.000 0.884 965 L CB 0.408 42.339 42.059 -0.213 0.000 1.115 965 L HN 0.711 nan 8.230 nan 0.000 0.481 966 T N -2.670 111.843 114.554 -0.069 0.000 2.887 966 T HA 0.449 4.799 4.350 -0.001 0.000 0.288 966 T C -0.242 174.448 174.700 -0.016 0.000 1.021 966 T CA -0.915 61.163 62.100 -0.037 0.000 1.000 966 T CB 2.424 71.276 68.868 -0.027 0.000 1.034 966 T HN -0.087 nan 8.240 nan 0.000 0.467 967 K N 0.901 121.298 120.400 -0.005 0.000 2.117 967 K HA 0.328 4.647 4.320 -0.001 0.000 0.240 967 K C 1.644 178.256 176.600 0.021 0.000 1.031 967 K CA -0.254 56.041 56.287 0.013 0.000 0.909 967 K CB 0.524 33.030 32.500 0.011 0.000 1.097 967 K HN 0.800 nan 8.250 nan 0.000 0.492 968 S N -0.654 115.067 115.700 0.035 0.000 2.447 968 S HA -0.146 4.324 4.470 -0.001 0.000 0.233 968 S C 1.769 176.382 174.600 0.023 0.000 1.006 968 S CA 1.414 59.634 58.200 0.033 0.000 0.957 968 S CB -0.336 62.891 63.200 0.045 0.000 0.773 968 S HN 0.631 nan 8.310 nan 0.000 0.507 969 S N 1.414 117.125 115.700 0.020 0.000 2.562 969 S HA 0.450 4.920 4.470 -0.001 0.000 0.221 969 S C 0.785 175.390 174.600 0.010 0.000 0.975 969 S CA 0.007 58.217 58.200 0.015 0.000 0.918 969 S CB -0.573 62.636 63.200 0.015 0.000 0.772 969 S HN 0.749 nan 8.310 nan 0.000 0.531 970 A N 2.042 124.866 122.820 0.007 0.000 2.444 970 A HA 0.341 4.660 4.320 -0.001 0.000 0.273 970 A C 1.283 178.871 177.584 0.007 0.000 1.136 970 A CA -0.334 51.704 52.037 0.003 0.000 0.799 970 A CB 0.110 19.108 19.000 -0.003 0.000 1.081 970 A HN 0.502 nan 8.150 nan 0.000 0.509 971 K N 1.966 122.369 120.400 0.006 0.000 2.044 971 K HA -0.123 4.197 4.320 -0.001 0.000 0.210 971 K C 0.141 176.749 176.600 0.013 0.000 1.049 971 K CA 1.838 58.130 56.287 0.009 0.000 0.927 971 K CB -0.095 32.408 32.500 0.005 0.000 0.713 971 K HN 0.655 nan 8.250 nan 0.000 0.443 972 T N 2.541 117.100 114.554 0.009 0.000 2.753 972 T HA 0.172 4.522 4.350 -0.001 0.000 0.297 972 T C -0.776 173.937 174.700 0.021 0.000 0.981 972 T CA -0.663 61.445 62.100 0.014 0.000 0.956 972 T CB 1.431 70.298 68.868 -0.002 0.000 0.936 972 T HN 0.098 nan 8.240 nan 0.000 0.463 973 Q N 2.834 122.664 119.800 0.050 0.000 2.327 973 Q HA 0.356 4.695 4.340 -0.001 0.000 0.254 973 Q C 0.110 176.160 176.000 0.084 0.000 0.952 973 Q CA 0.134 55.970 55.803 0.055 0.000 0.884 973 Q CB 1.218 29.989 28.738 0.056 0.000 1.224 973 Q HN 0.554 nan 8.270 nan 0.000 0.422 974 R N 0.499 121.014 120.500 0.026 0.000 2.561 974 R HA 0.645 4.984 4.340 -0.001 0.000 0.297 974 R C -1.015 175.236 176.300 -0.081 0.000 0.969 974 R CA -0.683 55.416 56.100 -0.002 0.000 0.879 974 R CB 1.758 32.024 30.300 -0.056 0.000 1.178 974 R HN 0.246 nan 8.270 nan 0.000 0.445 975 V N 1.523 121.384 119.914 -0.087 0.000 2.531 975 V HA 0.592 4.712 4.120 -0.001 0.000 0.301 975 V C 0.252 176.064 176.094 -0.469 0.000 1.034 975 V CA -0.854 61.263 62.300 -0.305 0.000 0.865 975 V CB 2.008 33.660 31.823 -0.285 0.000 0.995 975 V HN 0.949 nan 8.190 nan 0.000 0.424 976 G N 2.952 111.275 108.800 -0.796 0.000 2.371 976 G HA2 0.657 4.616 3.960 -0.001 0.000 0.326 976 G HA3 0.657 4.616 3.960 -0.001 0.000 0.326 976 G C -1.623 172.840 174.900 -0.728 0.000 1.127 976 G CA -0.295 44.183 45.100 -1.037 0.000 0.885 976 G HN 0.509 nan 8.290 nan 0.000 0.477 977 Y N 0.456 120.838 120.300 0.137 0.000 2.425 977 Y HA 0.461 5.011 4.550 -0.001 0.000 0.344 977 Y C -0.101 176.067 175.900 0.448 0.000 0.969 977 Y CA -0.898 57.370 58.100 0.280 0.000 1.052 977 Y CB 2.763 41.353 38.460 0.217 0.000 1.215 977 Y HN 0.333 nan 8.280 nan 0.000 0.451 978 V N 5.003 125.211 119.914 0.490 0.000 2.347 978 V HA 0.342 4.461 4.120 -0.001 0.000 0.280 978 V C -0.768 175.551 176.094 0.376 0.000 1.021 978 V CA -0.620 61.893 62.300 0.356 0.000 0.847 978 V CB 1.351 33.338 31.823 0.272 0.000 0.990 978 V HN 0.512 nan 8.190 nan 0.000 0.444 979 L N 5.018 126.448 121.223 0.345 0.000 2.296 979 L HA 0.598 4.937 4.340 -0.001 0.000 0.286 979 L C -0.597 176.466 176.870 0.323 0.000 1.023 979 L CA -0.159 54.877 54.840 0.327 0.000 0.812 979 L CB 1.292 43.543 42.059 0.320 0.000 1.223 979 L HN 0.764 nan 8.230 nan 0.000 0.421 980 H N 3.860 123.077 119.070 0.245 0.000 2.547 980 H HA 0.549 5.104 4.556 -0.001 0.000 0.342 980 H C -1.023 174.389 175.328 0.140 0.000 1.048 980 H CA -0.655 55.509 56.048 0.193 0.000 1.204 980 H CB 1.040 30.988 29.762 0.309 0.000 1.493 980 H HN 0.586 nan 8.280 nan 0.000 0.511 981 R N 4.314 124.481 120.500 -0.555 0.000 2.295 981 R HA 0.316 4.656 4.340 -0.001 0.000 0.324 981 R C -0.296 175.574 176.300 -0.716 0.000 0.968 981 R CA -0.448 55.381 56.100 -0.452 0.000 0.837 981 R CB 1.091 31.252 30.300 -0.233 0.000 1.133 981 R HN 0.738 nan 8.270 nan 0.000 0.450 982 T N 1.734 116.010 114.554 -0.463 0.000 2.771 982 T HA 0.156 4.505 4.350 -0.001 0.000 0.290 982 T C -0.484 174.034 174.700 -0.304 0.000 1.005 982 T CA -0.407 61.513 62.100 -0.300 0.000 0.944 982 T CB 0.521 69.289 68.868 -0.167 0.000 1.147 982 T HN 0.691 nan 8.240 nan 0.000 0.534 983 N N 0.705 119.250 118.700 -0.258 0.000 2.399 983 N HA 0.463 5.203 4.740 -0.001 0.000 0.284 983 N C -1.414 173.935 175.510 -0.268 0.000 1.025 983 N CA -0.479 52.367 53.050 -0.340 0.000 0.885 983 N CB 0.613 38.752 38.487 -0.580 0.000 1.339 983 N HN 0.454 nan 8.380 nan 0.000 0.487 984 L N 2.677 123.739 121.223 -0.268 0.000 2.331 984 L HA 0.532 4.872 4.340 -0.001 0.000 0.275 984 L C 0.523 177.270 176.870 -0.206 0.000 1.022 984 L CA -0.950 53.767 54.840 -0.206 0.000 0.812 984 L CB 1.567 43.515 42.059 -0.186 0.000 1.257 984 L HN 0.387 nan 8.230 nan 0.000 0.435 985 M N 1.999 121.499 119.600 -0.167 0.000 2.245 985 M HA 0.087 4.566 4.480 -0.001 0.000 0.344 985 M C -0.166 176.051 176.300 -0.139 0.000 1.170 985 M CA 0.259 55.464 55.300 -0.158 0.000 1.135 985 M CB 0.393 32.907 32.600 -0.145 0.000 1.574 985 M HN 0.531 nan 8.290 nan 0.000 0.452 986 Q N 1.873 121.595 119.800 -0.129 0.000 2.307 986 Q HA 0.176 4.516 4.340 -0.001 0.000 0.259 986 Q C -0.293 175.654 176.000 -0.088 0.000 0.998 986 Q CA -0.257 55.484 55.803 -0.103 0.000 0.923 986 Q CB 0.721 29.402 28.738 -0.095 0.000 1.196 986 Q HN 0.773 nan 8.270 nan 0.000 0.416 987 c N 1.438 119.990 118.600 -0.080 0.000 3.240 987 c HA 0.395 4.964 4.570 -0.001 0.000 0.271 987 c C 1.262 175.318 174.090 -0.057 0.000 1.534 987 c CA -0.081 56.205 56.329 -0.071 0.000 1.796 987 c CB -0.467 41.994 42.510 -0.081 0.000 2.892 987 c HN 1.139 nan 8.230 nan 0.000 0.566 988 G N 1.332 110.101 108.800 -0.053 0.000 2.157 988 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.239 988 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.239 988 G C 0.001 174.877 174.900 -0.039 0.000 0.982 988 G CA 0.329 45.403 45.100 -0.043 0.000 0.650 988 G HN 0.447 nan 8.290 nan 0.000 0.527 989 T N 2.986 117.514 114.554 -0.043 0.000 2.729 989 T HA 0.501 4.850 4.350 -0.001 0.000 0.296 989 T C -1.797 172.883 174.700 -0.034 0.000 0.928 989 T CA -0.573 61.505 62.100 -0.037 0.000 1.045 989 T CB 1.527 70.371 68.868 -0.040 0.000 0.902 989 T HN 0.184 nan 8.240 nan 0.000 0.500 990 P HA 0.098 nan 4.420 nan 0.000 0.264 990 P C 0.069 177.357 177.300 -0.020 0.000 1.193 990 P CA -0.322 62.764 63.100 -0.022 0.000 0.763 990 P CB 0.471 32.161 31.700 -0.017 0.000 0.810 991 E N 3.353 123.542 120.200 -0.018 0.000 2.344 991 E HA 0.022 4.372 4.350 -0.001 0.000 0.270 991 E C 0.070 176.673 176.600 0.005 0.000 1.021 991 E CA -0.611 55.781 56.400 -0.015 0.000 0.887 991 E CB 0.660 30.349 29.700 -0.019 0.000 0.997 991 E HN 0.427 nan 8.360 nan 0.000 0.429 992 E N 4.616 124.821 120.200 0.007 0.000 2.343 992 E HA -0.005 4.345 4.350 -0.001 0.000 0.269 992 E C -0.702 175.933 176.600 0.059 0.000 1.047 992 E CA -0.542 55.878 56.400 0.033 0.000 0.874 992 E CB 0.630 30.343 29.700 0.022 0.000 1.033 992 E HN 0.577 nan 8.360 nan 0.000 0.409 993 H N 1.982 121.045 119.070 -0.011 0.000 3.107 993 H HA 0.055 4.611 4.556 -0.001 0.000 0.301 993 H C -0.269 175.062 175.328 0.005 0.000 0.981 993 H CA 1.109 57.153 56.048 -0.006 0.000 1.443 993 H CB 0.211 29.968 29.762 -0.008 0.000 1.479 993 H HN 0.626 nan 8.280 nan 0.000 0.564 994 T N 1.635 115.986 114.554 -0.339 0.000 2.905 994 T HA 0.461 4.811 4.350 -0.001 0.000 0.283 994 T C -0.282 174.199 174.700 -0.364 0.000 1.031 994 T CA -1.239 60.722 62.100 -0.232 0.000 1.002 994 T CB 1.378 70.188 68.868 -0.097 0.000 1.200 994 T HN 0.637 nan 8.240 nan 0.000 0.560 995 Q N 0.445 120.151 119.800 -0.156 0.000 2.230 995 Q HA 0.394 4.733 4.340 -0.001 0.000 0.253 995 Q C -0.442 175.509 176.000 -0.083 0.000 0.919 995 Q CA -0.882 54.850 55.803 -0.119 0.000 0.908 995 Q CB 1.627 30.351 28.738 -0.024 0.000 1.245 995 Q HN 0.591 nan 8.270 nan 0.000 0.437 996 K N 1.996 122.349 120.400 -0.079 0.000 2.484 996 K HA 0.020 4.340 4.320 -0.001 0.000 0.280 996 K C -0.927 175.647 176.600 -0.043 0.000 1.013 996 K CA -0.205 56.048 56.287 -0.056 0.000 1.029 996 K CB 0.313 32.782 32.500 -0.051 0.000 0.902 996 K HN 0.420 nan 8.250 nan 0.000 0.481 997 L N 4.870 126.068 121.223 -0.041 0.000 2.257 997 L HA 0.279 4.618 4.340 -0.001 0.000 0.290 997 L C -1.141 175.678 176.870 -0.086 0.000 1.044 997 L CA -0.026 54.786 54.840 -0.047 0.000 0.810 997 L CB 1.187 43.231 42.059 -0.025 0.000 1.193 997 L HN 0.640 nan 8.230 nan 0.000 0.425 998 D N 3.510 123.853 120.400 -0.095 0.000 2.460 998 D HA 0.169 4.809 4.640 -0.001 0.000 0.232 998 D C 1.055 177.250 176.300 -0.176 0.000 1.079 998 D CA -0.284 53.639 54.000 -0.128 0.000 0.864 998 D CB 1.218 41.982 40.800 -0.060 0.000 1.048 998 D HN 0.375 nan 8.370 nan 0.000 0.523 999 V N 1.452 121.166 119.914 -0.333 0.000 2.594 999 V HA -0.185 3.935 4.120 -0.001 0.000 0.253 999 V C 2.125 177.918 176.094 -0.502 0.000 1.069 999 V CA 1.115 63.043 62.300 -0.619 0.000 1.082 999 V CB -1.085 30.104 31.823 -1.057 0.000 0.680 999 V HN 0.625 nan 8.190 nan 0.000 0.469 1000 c N 0.556 118.991 118.600 -0.274 0.000 2.437 1000 c HA -0.003 4.566 4.570 -0.001 0.000 0.283 1000 c C 2.105 176.094 174.090 -0.170 0.000 1.424 1000 c CA 1.333 57.569 56.329 -0.157 0.000 1.782 1000 c CB -1.826 40.580 42.510 -0.174 0.000 1.833 1000 c HN 0.774 nan 8.230 nan 0.000 0.532 1001 H N -1.133 117.911 119.070 -0.043 0.000 2.542 1001 H HA 0.267 4.822 4.556 -0.001 0.000 0.283 1001 H C 1.697 177.053 175.328 0.046 0.000 1.059 1001 H CA -0.053 56.010 56.048 0.024 0.000 1.162 1001 H CB 0.079 29.836 29.762 -0.008 0.000 1.539 1001 H HN 0.334 nan 8.280 nan 0.000 0.543 1002 L N -0.127 121.151 121.223 0.092 0.000 2.141 1002 L HA -0.011 4.329 4.340 -0.001 0.000 0.209 1002 L C 0.115 177.125 176.870 0.233 0.000 1.094 1002 L CA 0.889 55.806 54.840 0.130 0.000 0.763 1002 L CB 0.145 42.236 42.059 0.053 0.000 0.908 1002 L HN 0.206 nan 8.230 nan 0.000 0.437 1003 L N 0.002 121.321 121.223 0.161 0.000 2.325 1003 L HA 0.382 4.721 4.340 -0.001 0.000 0.278 1003 L C -2.070 174.843 176.870 0.073 0.000 1.023 1003 L CA -1.946 52.916 54.840 0.036 0.000 0.811 1003 L CB 1.522 43.379 42.059 -0.337 0.000 1.249 1003 L HN -0.200 nan 8.230 nan 0.000 0.431 1004 P HA 0.139 nan 4.420 nan 0.000 0.274 1004 P C -0.857 176.549 177.300 0.177 0.000 1.256 1004 P CA -0.288 62.881 63.100 0.114 0.000 0.795 1004 P CB 0.374 32.119 31.700 0.074 0.000 1.038 1005 N N -3.337 115.452 118.700 0.148 0.000 2.754 1005 N HA -0.152 4.587 4.740 -0.001 0.000 0.248 1005 N C 0.019 175.612 175.510 0.139 0.000 1.093 1005 N CA 0.062 53.190 53.050 0.130 0.000 0.699 1005 N CB -1.994 36.559 38.487 0.110 0.000 1.016 1005 N HN 0.253 nan 8.380 nan 0.000 0.552 1006 V N -0.006 119.947 119.914 0.065 0.000 2.585 1006 V HA 0.352 4.471 4.120 -0.001 0.000 0.296 1006 V C 1.207 177.202 176.094 -0.166 0.000 1.035 1006 V CA 1.184 63.350 62.300 -0.224 0.000 1.084 1006 V CB 1.161 32.738 31.823 -0.409 0.000 0.953 1006 V HN 0.430 nan 8.190 nan 0.000 0.483 1007 A N 6.999 129.700 122.820 -0.199 0.000 2.192 1007 A HA 0.476 4.795 4.320 -0.001 0.000 0.208 1007 A C 0.999 178.543 177.584 -0.068 0.000 1.220 1007 A CA 0.049 52.030 52.037 -0.093 0.000 0.900 1007 A CB 0.261 19.223 19.000 -0.064 0.000 0.937 1007 A HN 0.767 nan 8.150 nan 0.000 0.487 1008 R N -1.660 118.770 120.500 -0.117 0.000 2.629 1008 R HA 0.495 4.835 4.340 -0.001 0.000 0.266 1008 R C -2.301 173.953 176.300 -0.077 0.000 1.051 1008 R CA -0.334 55.752 56.100 -0.023 0.000 0.895 1008 R CB 1.633 31.954 30.300 0.036 0.000 1.246 1008 R HN 0.298 nan 8.270 nan 0.000 0.459 1009 c N 2.776 121.362 118.600 -0.023 0.000 2.481 1009 c HA 0.600 5.169 4.570 -0.001 0.000 0.324 1009 c C -1.189 172.949 174.090 0.080 0.000 1.170 1009 c CA -0.229 56.095 56.329 -0.008 0.000 1.361 1009 c CB 1.206 43.673 42.510 -0.072 0.000 1.977 1009 c HN 0.928 nan 8.230 nan 0.000 0.459 1010 E N 2.930 123.221 120.200 0.153 0.000 2.266 1010 E HA 0.442 4.791 4.350 -0.001 0.000 0.268 1010 E C -0.868 175.894 176.600 0.269 0.000 0.879 1010 E CA -0.571 55.943 56.400 0.190 0.000 0.762 1010 E CB 1.781 31.574 29.700 0.155 0.000 1.199 1010 E HN 0.639 nan 8.360 nan 0.000 0.422 1011 R N 1.634 122.276 120.500 0.236 0.000 2.340 1011 R HA 0.287 4.626 4.340 -0.001 0.000 0.300 1011 R C -0.447 175.879 176.300 0.042 0.000 1.069 1011 R CA 0.115 56.278 56.100 0.104 0.000 0.984 1011 R CB 0.578 30.912 30.300 0.057 0.000 1.003 1011 R HN 0.682 nan 8.270 nan 0.000 0.459 1012 T N -0.166 114.387 114.554 -0.001 0.000 2.907 1012 T HA 0.348 4.698 4.350 -0.001 0.000 0.290 1012 T C 0.138 174.816 174.700 -0.036 0.000 1.066 1012 T CA -0.774 61.347 62.100 0.034 0.000 1.012 1012 T CB 1.410 70.370 68.868 0.153 0.000 1.184 1012 T HN 0.614 nan 8.240 nan 0.000 0.522 1013 T N 0.251 114.787 114.554 -0.030 0.000 2.791 1013 T HA 0.180 4.529 4.350 -0.001 0.000 0.323 1013 T C 1.598 176.211 174.700 -0.145 0.000 1.082 1013 T CA -0.658 61.401 62.100 -0.068 0.000 1.084 1013 T CB -0.074 68.772 68.868 -0.038 0.000 0.992 1013 T HN 0.567 nan 8.240 nan 0.000 0.547 1014 L N 1.227 122.349 121.223 -0.168 0.000 2.362 1014 L HA -0.038 4.301 4.340 -0.001 0.000 0.219 1014 L C 2.855 179.426 176.870 -0.499 0.000 1.134 1014 L CA 1.413 56.086 54.840 -0.277 0.000 0.807 1014 L CB -1.039 40.939 42.059 -0.135 0.000 0.927 1014 L HN 0.991 nan 8.230 nan 0.000 0.447 1015 T N -4.992 109.371 114.554 -0.317 0.000 3.100 1015 T HA 0.000 4.350 4.350 -0.001 0.000 0.253 1015 T C 0.762 175.338 174.700 -0.206 0.000 1.118 1015 T CA -0.179 61.766 62.100 -0.257 0.000 1.058 1015 T CB -0.110 68.734 68.868 -0.040 0.000 0.953 1015 T HN 0.208 nan 8.240 nan 0.000 0.515 1016 F N -0.866 119.094 119.950 0.016 0.000 2.794 1016 F HA -0.183 4.343 4.527 -0.001 0.000 0.335 1016 F C 0.999 176.798 175.800 -0.002 0.000 0.653 1016 F CA -0.084 57.918 58.000 0.004 0.000 1.266 1016 F CB -2.335 36.663 39.000 -0.003 0.000 1.666 1016 F HN 0.235 nan 8.300 nan 0.000 0.314 1017 L N -0.836 120.454 121.223 0.112 0.000 2.509 1017 L HA 0.104 4.443 4.340 -0.001 0.000 0.222 1017 L C 1.058 177.948 176.870 0.034 0.000 1.123 1017 L CA 0.905 55.785 54.840 0.065 0.000 0.856 1017 L CB 0.163 42.244 42.059 0.036 0.000 0.985 1017 L HN 0.361 nan 8.230 nan 0.000 0.456 1018 Q N 0.352 120.172 119.800 0.033 0.000 2.331 1018 Q HA 0.277 4.616 4.340 -0.001 0.000 0.272 1018 Q C -1.242 174.776 176.000 0.030 0.000 1.062 1018 Q CA -0.726 55.086 55.803 0.015 0.000 0.806 1018 Q CB 1.952 30.684 28.738 -0.010 0.000 1.312 1018 Q HN 0.069 nan 8.270 nan 0.000 0.431 1019 N N 4.363 123.081 118.700 0.029 0.000 2.458 1019 N HA 0.206 4.945 4.740 -0.001 0.000 0.270 1019 N C 0.275 175.804 175.510 0.031 0.000 1.102 1019 N CA 0.170 53.246 53.050 0.043 0.000 0.967 1019 N CB 1.138 39.651 38.487 0.044 0.000 1.078 1019 N HN 0.640 nan 8.380 nan 0.000 0.471 1020 L N 0.488 121.732 121.223 0.036 0.000 2.537 1020 L HA 0.298 4.638 4.340 -0.001 0.000 0.224 1020 L C 0.602 177.498 176.870 0.044 0.000 1.065 1020 L CA 0.435 55.289 54.840 0.024 0.000 0.860 1020 L CB 0.334 42.395 42.059 0.002 0.000 1.086 1020 L HN 0.514 nan 8.230 nan 0.000 0.482 1021 E N -0.406 119.839 120.200 0.075 0.000 2.347 1021 E HA 0.125 4.474 4.350 -0.001 0.000 0.285 1021 E C -1.324 175.364 176.600 0.148 0.000 0.925 1021 E CA -0.540 55.919 56.400 0.097 0.000 0.779 1021 E CB 1.523 31.273 29.700 0.084 0.000 1.233 1021 E HN 0.072 nan 8.360 nan 0.000 0.414 1022 H N 6.195 125.289 119.070 0.041 0.000 2.604 1022 H HA 0.314 4.870 4.556 -0.001 0.000 0.306 1022 H C -0.888 174.463 175.328 0.040 0.000 1.075 1022 H CA -0.436 55.634 56.048 0.036 0.000 1.357 1022 H CB 0.667 30.441 29.762 0.019 0.000 1.426 1022 H HN 0.408 nan 8.280 nan 0.000 0.470 1023 L N 5.210 126.265 121.223 -0.281 0.000 2.276 1023 L HA 0.101 4.440 4.340 -0.001 0.000 0.286 1023 L C 0.139 176.840 176.870 -0.282 0.000 1.061 1023 L CA -0.875 53.851 54.840 -0.189 0.000 0.807 1023 L CB 1.085 43.106 42.059 -0.063 0.000 1.177 1023 L HN 0.645 nan 8.230 nan 0.000 0.429 1024 D N 2.846 123.144 120.400 -0.170 0.000 2.487 1024 D HA 0.135 4.774 4.640 -0.001 0.000 0.243 1024 D C 1.181 177.430 176.300 -0.085 0.000 1.154 1024 D CA 1.264 55.190 54.000 -0.124 0.000 0.876 1024 D CB 1.054 41.816 40.800 -0.063 0.000 1.161 1024 D HN 0.828 nan 8.370 nan 0.000 0.478 1025 G N 3.246 112.006 108.800 -0.066 0.000 2.187 1025 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.261 1025 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.261 1025 G C 0.761 175.680 174.900 0.032 0.000 1.000 1025 G CA 0.469 45.561 45.100 -0.013 0.000 0.718 1025 G HN 0.664 nan 8.290 nan 0.000 0.519 1026 M N -2.831 116.747 119.600 -0.036 0.000 2.461 1026 M HA -0.188 4.291 4.480 -0.001 0.000 0.203 1026 M C 0.102 176.420 176.300 0.030 0.000 0.428 1026 M CA 0.870 56.144 55.300 -0.043 0.000 0.509 1026 M CB -1.764 30.787 32.600 -0.083 0.000 1.851 1026 M HN 0.212 nan 8.290 nan 0.000 0.834 1027 V N 0.799 120.714 119.914 0.001 0.000 2.370 1027 V HA 0.723 4.843 4.120 -0.001 0.000 0.283 1027 V C 0.610 176.614 176.094 -0.150 0.000 1.023 1027 V CA -0.348 61.940 62.300 -0.020 0.000 0.857 1027 V CB 1.774 33.579 31.823 -0.029 0.000 0.985 1027 V HN 0.388 nan 8.190 nan 0.000 0.443 1028 A N 8.056 130.703 122.820 -0.287 0.000 2.310 1028 A HA 0.726 5.045 4.320 -0.001 0.000 0.300 1028 A C -2.411 174.881 177.584 -0.486 0.000 1.269 1028 A CA -1.400 50.228 52.037 -0.681 0.000 0.909 1028 A CB 0.007 18.323 19.000 -1.142 0.000 1.144 1028 A HN 0.626 nan 8.150 nan 0.000 0.540 1029 P HA 0.174 nan 4.420 nan 0.000 0.271 1029 P C -0.115 177.168 177.300 -0.029 0.000 1.218 1029 P CA -0.115 62.931 63.100 -0.091 0.000 0.780 1029 P CB 0.555 32.265 31.700 0.016 0.000 0.901 1030 E N 0.043 120.238 120.200 -0.008 0.000 2.392 1030 E HA 0.233 4.582 4.350 -0.001 0.000 0.259 1030 E C 0.164 176.809 176.600 0.075 0.000 1.108 1030 E CA -0.750 55.673 56.400 0.038 0.000 0.916 1030 E CB 0.435 30.137 29.700 0.004 0.000 0.989 1030 E HN 0.293 nan 8.360 nan 0.000 0.432 1031 V N -1.310 118.651 119.914 0.079 0.000 3.109 1031 V HA 0.358 4.477 4.120 -0.001 0.000 0.317 1031 V C 0.143 176.239 176.094 0.002 0.000 1.074 1031 V CA -1.102 61.235 62.300 0.061 0.000 1.033 1031 V CB 1.266 33.131 31.823 0.070 0.000 1.111 1031 V HN 0.741 nan 8.190 nan 0.000 0.458 1032 c N 2.308 120.906 118.600 -0.004 0.000 2.595 1032 c HA 0.457 5.027 4.570 -0.001 0.000 0.384 1032 c C -2.124 171.912 174.090 -0.089 0.000 1.289 1032 c CA -0.381 55.929 56.329 -0.032 0.000 2.372 1032 c CB 0.088 42.597 42.510 -0.001 0.000 2.593 1032 c HN 0.817 nan 8.230 nan 0.000 0.639 1033 P HA 0.045 nan 4.420 nan 0.000 0.262 1033 P C 0.277 177.423 177.300 -0.257 0.000 1.182 1033 P CA 0.964 63.930 63.100 -0.223 0.000 0.761 1033 P CB 0.179 31.728 31.700 -0.252 0.000 0.795 1034 M N -1.150 118.247 119.600 -0.340 0.000 2.961 1034 M HA -0.171 4.309 4.480 -0.001 0.000 0.198 1034 M C -0.095 176.203 176.300 -0.004 0.000 0.610 1034 M CA 1.349 56.428 55.300 -0.368 0.000 0.755 1034 M CB -1.992 30.042 32.600 -0.943 0.000 2.707 1034 M HN 0.403 nan 8.290 nan 0.000 0.299 1035 E N 0.614 120.812 120.200 -0.004 0.000 2.250 1035 E HA 0.705 5.055 4.350 -0.001 0.000 0.269 1035 E C 0.042 176.711 176.600 0.115 0.000 1.018 1035 E CA -0.029 56.446 56.400 0.126 0.000 0.873 1035 E CB 1.378 31.118 29.700 0.067 0.000 1.134 1035 E HN 0.158 nan 8.360 nan 0.000 0.403 1036 T N 0.569 115.209 114.554 0.144 0.000 2.879 1036 T HA 0.673 5.023 4.350 -0.001 0.000 0.290 1036 T C -0.835 173.874 174.700 0.015 0.000 0.993 1036 T CA -0.667 61.521 62.100 0.147 0.000 0.975 1036 T CB 1.568 70.528 68.868 0.153 0.000 0.981 1036 T HN 0.499 nan 8.240 nan 0.000 0.439 1037 A N 2.008 124.839 122.820 0.018 0.000 2.469 1037 A HA 1.004 5.323 4.320 -0.001 0.000 0.299 1037 A C -0.902 176.580 177.584 -0.171 0.000 1.098 1037 A CA -0.952 50.998 52.037 -0.144 0.000 0.737 1037 A CB 1.513 20.382 19.000 -0.218 0.000 1.312 1037 A HN 1.112 nan 8.150 nan 0.000 0.414 1038 A N 0.325 122.953 122.820 -0.321 0.000 2.365 1038 A HA 0.813 5.133 4.320 -0.001 0.000 0.318 1038 A C -1.580 175.816 177.584 -0.313 0.000 1.091 1038 A CA -0.349 51.612 52.037 -0.127 0.000 0.763 1038 A CB 0.734 19.684 19.000 -0.083 0.000 1.248 1038 A HN 0.822 nan 8.150 nan 0.000 0.442 1039 Y N 0.120 120.627 120.300 0.346 0.000 2.512 1039 Y HA 0.586 5.135 4.550 -0.001 0.000 0.348 1039 Y C -0.241 175.827 175.900 0.280 0.000 0.990 1039 Y CA -0.929 57.331 58.100 0.267 0.000 1.033 1039 Y CB 2.493 41.068 38.460 0.193 0.000 1.259 1039 Y HN 0.406 nan 8.280 nan 0.000 0.461 1040 V N 2.331 122.440 119.914 0.325 0.000 2.483 1040 V HA 0.473 4.592 4.120 -0.001 0.000 0.297 1040 V C -0.662 175.509 176.094 0.129 0.000 1.027 1040 V CA -0.961 61.426 62.300 0.145 0.000 0.855 1040 V CB 1.710 33.557 31.823 0.041 0.000 0.995 1040 V HN 0.831 nan 8.190 nan 0.000 0.424 1041 S N 3.417 119.196 115.700 0.132 0.000 2.508 1041 S HA 0.720 5.189 4.470 -0.001 0.000 0.284 1041 S C -0.208 174.306 174.600 -0.142 0.000 1.192 1041 S CA -0.579 57.618 58.200 -0.005 0.000 1.070 1041 S CB 1.582 64.850 63.200 0.114 0.000 1.004 1041 S HN 0.559 nan 8.310 nan 0.000 0.493 1042 S N 2.401 117.896 115.700 -0.342 0.000 2.472 1042 S HA 0.521 4.990 4.470 -0.001 0.000 0.303 1042 S C -0.934 173.340 174.600 -0.543 0.000 1.099 1042 S CA -0.764 57.273 58.200 -0.270 0.000 1.077 1042 S CB 0.524 63.651 63.200 -0.121 0.000 1.031 1042 S HN 0.783 nan 8.310 nan 0.000 0.487 1043 H N 1.010 120.067 119.070 -0.021 0.000 2.667 1043 H HA 0.267 4.823 4.556 -0.001 0.000 0.353 1043 H C 0.294 175.615 175.328 -0.011 0.000 1.072 1043 H CA -0.529 55.508 56.048 -0.017 0.000 1.214 1043 H CB 1.811 31.563 29.762 -0.015 0.000 1.600 1043 H HN 0.665 nan 8.280 nan 0.000 0.527 1044 S N 1.147 116.894 115.700 0.078 0.000 2.528 1044 S HA 0.102 4.572 4.470 -0.001 0.000 0.219 1044 S C 0.888 175.520 174.600 0.053 0.000 0.985 1044 S CA -0.006 58.222 58.200 0.046 0.000 0.914 1044 S CB 0.563 63.777 63.200 0.023 0.000 0.776 1044 S HN 0.443 nan 8.310 nan 0.000 0.526 1045 S N 0.000 115.745 115.700 0.075 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.231 58.200 0.052 0.000 1.107 1045 S CB 0.000 63.224 63.200 0.040 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517