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 3d51_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 0.000 176.007 176.000 0.011 0.000 1.003 30 Q CA 0.000 55.807 55.803 0.007 0.000 1.022 30 Q CB 0.000 28.740 28.738 0.004 0.000 1.108 31 c N 3.439 122.042 118.600 0.004 0.000 2.536 31 c HA 0.432 5.001 4.570 -0.001 0.000 0.396 31 c C 0.709 174.810 174.090 0.018 0.000 1.279 31 c CA -0.331 56.002 56.329 0.008 0.000 2.148 31 c CB 0.280 42.781 42.510 -0.016 0.000 2.584 31 c HN 0.319 nan 8.230 nan 0.000 0.579 32 Q N 1.710 121.537 119.800 0.044 0.000 2.330 32 Q HA 0.043 4.382 4.340 -0.001 0.000 0.279 32 Q C -0.017 176.012 176.000 0.048 0.000 1.024 32 Q CA 0.421 56.266 55.803 0.069 0.000 0.900 32 Q CB 0.534 29.351 28.738 0.131 0.000 1.221 32 Q HN 0.637 nan 8.270 nan 0.000 0.396 33 D N 1.932 122.361 120.400 0.048 0.000 2.343 33 D HA 0.042 4.682 4.640 -0.001 0.000 0.255 33 D C 0.469 176.815 176.300 0.076 0.000 1.187 33 D CA -0.123 53.889 54.000 0.020 0.000 0.875 33 D CB 1.209 42.022 40.800 0.021 0.000 1.136 33 D HN 0.383 nan 8.370 nan 0.000 0.469 34 V N 2.107 122.020 119.914 -0.003 0.000 3.542 34 V HA 0.110 4.229 4.120 -0.001 0.000 0.296 34 V C 1.116 177.271 176.094 0.101 0.000 1.364 34 V CA -0.008 62.358 62.300 0.110 0.000 1.118 34 V CB 0.314 32.042 31.823 -0.158 0.000 0.972 34 V HN 0.386 nan 8.190 nan 0.000 0.430 35 V N 0.003 119.889 119.914 -0.046 0.000 2.806 35 V HA 0.101 4.221 4.120 -0.001 0.000 0.239 35 V C 2.290 178.364 176.094 -0.032 0.000 1.113 35 V CA 1.286 63.510 62.300 -0.127 0.000 1.137 35 V CB 0.057 31.758 31.823 -0.203 0.000 0.865 35 V HN 0.479 nan 8.190 nan 0.000 0.482 36 Q N -0.337 119.495 119.800 0.053 0.000 2.384 36 Q HA 0.123 4.462 4.340 -0.001 0.000 0.207 36 Q C -0.495 175.590 176.000 0.142 0.000 0.904 36 Q CA 0.273 56.123 55.803 0.079 0.000 0.933 36 Q CB 0.627 29.384 28.738 0.033 0.000 1.077 36 Q HN 0.507 nan 8.270 nan 0.000 0.522 37 D N 1.098 121.616 120.400 0.197 0.000 2.414 37 D HA 0.181 4.820 4.640 -0.001 0.000 0.232 37 D C -0.719 175.697 176.300 0.194 0.000 1.070 37 D CA -0.276 53.821 54.000 0.162 0.000 0.839 37 D CB 2.244 43.118 40.800 0.122 0.000 1.079 37 D HN -0.179 nan 8.370 nan 0.000 0.521 38 V N 4.605 124.596 119.914 0.128 0.000 2.439 38 V HA 0.151 4.270 4.120 -0.001 0.000 0.271 38 V C -1.914 174.157 176.094 -0.037 0.000 1.040 38 V CA -1.226 61.071 62.300 -0.005 0.000 1.002 38 V CB 0.584 32.412 31.823 0.007 0.000 1.000 38 V HN 0.307 nan 8.190 nan 0.000 0.477 39 P HA 0.079 nan 4.420 nan 0.000 0.268 39 P C -0.459 176.812 177.300 -0.048 0.000 1.205 39 P CA -0.156 62.912 63.100 -0.054 0.000 0.771 39 P CB 0.372 32.022 31.700 -0.083 0.000 0.858 40 N N 2.559 121.247 118.700 -0.021 0.000 2.462 40 N HA 0.326 5.065 4.740 -0.001 0.000 0.242 40 N C -1.000 174.502 175.510 -0.015 0.000 1.010 40 N CA -0.402 52.638 53.050 -0.016 0.000 0.939 40 N CB 0.038 38.524 38.487 -0.001 0.000 1.127 40 N HN 0.118 nan 8.380 nan 0.000 0.509 41 V N 0.416 120.314 119.914 -0.026 0.000 3.046 41 V HA 0.550 4.669 4.120 -0.001 0.000 0.316 41 V C 0.605 176.686 176.094 -0.022 0.000 1.104 41 V CA -0.714 61.575 62.300 -0.020 0.000 1.006 41 V CB 2.017 33.817 31.823 -0.037 0.000 1.058 41 V HN 0.378 nan 8.190 nan 0.000 0.440 42 D N 0.723 121.117 120.400 -0.010 0.000 2.149 42 D HA 0.034 4.674 4.640 -0.001 0.000 0.201 42 D C 0.471 176.742 176.300 -0.049 0.000 0.972 42 D CA 1.590 55.581 54.000 -0.015 0.000 0.835 42 D CB 0.478 41.286 40.800 0.013 0.000 0.966 42 D HN 0.411 nan 8.370 nan 0.000 0.476 43 V N 1.447 121.310 119.914 -0.085 0.000 2.525 43 V HA 0.217 4.336 4.120 -0.001 0.000 0.299 43 V C -0.392 175.607 176.094 -0.158 0.000 1.034 43 V CA -0.759 61.461 62.300 -0.133 0.000 0.863 43 V CB 2.442 34.141 31.823 -0.205 0.000 0.999 43 V HN -0.082 nan 8.190 nan 0.000 0.423 44 Q N 4.541 124.259 119.800 -0.137 0.000 2.341 44 Q HA 0.444 4.783 4.340 -0.001 0.000 0.268 44 Q C 0.376 176.278 176.000 -0.163 0.000 1.013 44 Q CA -0.691 55.022 55.803 -0.149 0.000 0.798 44 Q CB 1.912 30.583 28.738 -0.111 0.000 1.253 44 Q HN 0.678 nan 8.270 nan 0.000 0.457 45 M N 3.105 122.560 119.600 -0.241 0.000 2.213 45 M HA -0.149 4.330 4.480 -0.001 0.000 0.263 45 M C 1.574 177.762 176.300 -0.185 0.000 1.062 45 M CA 0.911 56.053 55.300 -0.264 0.000 1.105 45 M CB -0.749 31.561 32.600 -0.484 0.000 1.385 45 M HN 0.566 nan 8.290 nan 0.000 0.417 46 L N 0.722 121.834 121.223 -0.186 0.000 2.056 46 L HA -0.128 4.211 4.340 -0.001 0.000 0.207 46 L C 2.486 179.343 176.870 -0.022 0.000 1.078 46 L CA 1.836 56.597 54.840 -0.132 0.000 0.749 46 L CB -0.684 41.276 42.059 -0.164 0.000 0.901 46 L HN 0.271 nan 8.230 nan 0.000 0.433 47 E N -0.407 119.768 120.200 -0.042 0.000 2.072 47 E HA -0.235 4.115 4.350 -0.001 0.000 0.191 47 E C 2.204 178.814 176.600 0.018 0.000 0.985 47 E CA 1.461 57.852 56.400 -0.015 0.000 0.801 47 E CB -0.281 29.397 29.700 -0.036 0.000 0.750 47 E HN 0.432 nan 8.360 nan 0.000 0.452 48 L N 0.531 121.765 121.223 0.017 0.000 2.012 48 L HA -0.197 4.142 4.340 -0.001 0.000 0.210 48 L C 2.282 179.224 176.870 0.120 0.000 1.073 48 L CA 1.726 56.587 54.840 0.035 0.000 0.748 48 L CB -1.075 40.993 42.059 0.014 0.000 0.891 48 L HN 0.126 nan 8.230 nan 0.000 0.431 49 Y N 0.045 120.346 120.300 0.002 0.000 2.207 49 Y HA -0.278 4.272 4.550 -0.001 0.000 0.287 49 Y C 2.551 178.536 175.900 0.142 0.000 1.156 49 Y CA 1.871 60.054 58.100 0.139 0.000 1.182 49 Y CB -0.662 37.881 38.460 0.139 0.000 0.979 49 Y HN 0.391 nan 8.280 nan 0.000 0.521 50 D N -0.743 119.768 120.400 0.184 0.000 2.178 50 D HA -0.102 4.537 4.640 -0.001 0.000 0.202 50 D C 2.006 178.344 176.300 0.064 0.000 0.974 50 D CA 1.193 55.255 54.000 0.104 0.000 0.841 50 D CB 0.079 40.914 40.800 0.058 0.000 0.953 50 D HN 0.232 nan 8.370 nan 0.000 0.478 51 R N -1.141 119.379 120.500 0.034 0.000 2.156 51 R HA 0.238 4.577 4.340 -0.001 0.000 0.207 51 R C 0.829 177.100 176.300 -0.047 0.000 1.040 51 R CA -0.070 56.025 56.100 -0.008 0.000 1.013 51 R CB 0.121 30.405 30.300 -0.027 0.000 0.931 51 R HN 0.192 nan 8.270 nan 0.000 0.465 52 M N 0.341 119.878 119.600 -0.105 0.000 2.250 52 M HA -0.085 4.395 4.480 -0.001 0.000 0.325 52 M C 1.592 177.770 176.300 -0.203 0.000 1.084 52 M CA 0.417 55.549 55.300 -0.280 0.000 1.161 52 M CB 1.161 33.354 32.600 -0.678 0.000 1.481 52 M HN 0.050 nan 8.290 nan 0.000 0.449 53 S N 1.674 117.234 115.700 -0.232 0.000 2.439 53 S HA 0.005 4.474 4.470 -0.001 0.000 0.224 53 S C 0.832 175.489 174.600 0.096 0.000 1.029 53 S CA 0.405 58.575 58.200 -0.051 0.000 0.946 53 S CB -0.128 63.037 63.200 -0.058 0.000 0.797 53 S HN 0.750 nan 8.310 nan 0.000 0.504 54 F N 0.226 120.107 119.950 -0.115 0.000 2.973 54 F HA -0.155 4.371 4.527 -0.001 0.000 0.299 54 F C 0.325 176.141 175.800 0.027 0.000 0.737 54 F CA 0.661 58.604 58.000 -0.095 0.000 1.151 54 F CB -1.767 37.155 39.000 -0.131 0.000 1.440 54 F HN 0.133 nan 8.300 nan 0.000 0.367 55 K N 1.359 121.840 120.400 0.136 0.000 2.401 55 K HA 0.136 4.455 4.320 -0.001 0.000 0.278 55 K C 0.209 176.915 176.600 0.177 0.000 1.018 55 K CA -0.040 56.331 56.287 0.139 0.000 0.981 55 K CB 0.516 33.060 32.500 0.074 0.000 0.933 55 K HN 0.048 nan 8.250 nan 0.000 0.477 56 D N 3.423 123.940 120.400 0.195 0.000 2.557 56 D HA 0.170 4.809 4.640 -0.001 0.000 0.236 56 D C -0.292 176.056 176.300 0.079 0.000 1.154 56 D CA -0.505 53.618 54.000 0.205 0.000 0.985 56 D CB -0.596 40.329 40.800 0.208 0.000 1.010 56 D HN 0.448 nan 8.370 nan 0.000 0.516 57 I N -1.265 119.339 120.570 0.056 0.000 2.498 57 I HA 0.487 4.657 4.170 -0.001 0.000 0.301 57 I C 0.110 176.218 176.117 -0.015 0.000 0.984 57 I CA -0.980 60.329 61.300 0.016 0.000 1.204 57 I CB 1.467 39.476 38.000 0.015 0.000 1.362 57 I HN -0.115 nan 8.210 nan 0.000 0.471 58 D N 4.194 124.583 120.400 -0.018 0.000 2.358 58 D HA 0.158 4.797 4.640 -0.001 0.000 0.258 58 D C 0.943 177.229 176.300 -0.023 0.000 1.223 58 D CA 0.155 54.138 54.000 -0.028 0.000 0.886 58 D CB 1.591 42.381 40.800 -0.016 0.000 1.120 58 D HN 0.854 nan 8.370 nan 0.000 0.482 59 G N 2.366 111.137 108.800 -0.049 0.000 3.042 59 G HA2 0.429 4.388 3.960 -0.001 0.000 0.212 59 G HA3 0.429 4.388 3.960 -0.001 0.000 0.212 59 G C 0.886 175.788 174.900 0.003 0.000 1.166 59 G CA 0.416 45.490 45.100 -0.044 0.000 0.767 59 G HN 0.909 nan 8.290 nan 0.000 0.546 60 G N -0.493 108.314 108.800 0.011 0.000 2.475 60 G HA2 -0.155 3.804 3.960 -0.001 0.000 0.223 60 G HA3 -0.155 3.804 3.960 -0.001 0.000 0.223 60 G C 1.245 176.168 174.900 0.038 0.000 1.201 60 G CA 0.777 45.896 45.100 0.031 0.000 0.962 60 G HN 1.117 nan 8.290 nan 0.000 0.586 61 V N -3.531 116.406 119.914 0.038 0.000 2.343 61 V HA 0.080 4.199 4.120 -0.001 0.000 0.247 61 V C 1.514 177.640 176.094 0.052 0.000 1.051 61 V CA 2.434 64.741 62.300 0.011 0.000 1.036 61 V CB -0.595 31.200 31.823 -0.045 0.000 0.654 61 V HN 1.430 nan 8.190 nan 0.000 0.451 62 W N 2.775 123.982 121.300 -0.154 0.000 2.430 62 W HA 0.417 5.076 4.660 -0.002 0.000 0.380 62 W C 1.171 177.649 176.519 -0.068 0.000 1.045 62 W CA -1.695 55.550 57.345 -0.167 0.000 1.547 62 W CB 0.072 29.398 29.460 -0.224 0.000 1.554 62 W HN 0.085 nan 8.180 nan 0.000 0.378 63 K N 2.673 123.165 120.400 0.153 0.000 2.152 63 K HA -0.193 4.127 4.320 -0.001 0.000 0.206 63 K C 0.889 177.408 176.600 -0.134 0.000 1.048 63 K CA 1.526 57.807 56.287 -0.010 0.000 0.933 63 K CB 0.082 32.568 32.500 -0.023 0.000 0.721 63 K HN 0.570 nan 8.250 nan 0.000 0.447 64 Q N -0.643 119.038 119.800 -0.199 0.000 2.188 64 Q HA 0.168 4.507 4.340 -0.001 0.000 0.212 64 Q C 0.813 176.454 176.000 -0.600 0.000 0.846 64 Q CA -0.299 55.366 55.803 -0.230 0.000 0.989 64 Q CB 1.249 29.987 28.738 -0.001 0.000 1.114 64 Q HN 0.235 nan 8.270 nan 0.000 0.488 65 G N 0.606 108.630 108.800 -1.293 0.000 3.392 65 G HA2 0.522 4.482 3.960 -0.001 0.000 0.185 65 G HA3 0.522 4.482 3.960 -0.001 0.000 0.185 65 G C -1.479 173.094 174.900 -0.545 0.000 1.206 65 G CA -0.315 43.723 45.100 -1.769 0.000 0.776 65 G HN 0.354 nan 8.290 nan 0.000 0.697 66 W N -1.303 119.689 121.300 -0.514 0.000 2.988 66 W HA 0.651 5.310 4.660 -0.001 0.000 0.355 66 W C -1.523 175.080 176.519 0.141 0.000 1.233 66 W CA -1.172 56.113 57.345 -0.100 0.000 1.176 66 W CB 0.658 30.076 29.460 -0.072 0.000 1.477 66 W HN 0.188 nan 8.180 nan 0.000 0.582 67 N N 2.108 120.969 118.700 0.268 0.000 2.402 67 N HA 0.234 4.974 4.740 -0.001 0.000 0.259 67 N C -0.336 175.323 175.510 0.249 0.000 1.167 67 N CA -0.014 53.146 53.050 0.183 0.000 0.949 67 N CB 0.328 38.920 38.487 0.175 0.000 1.212 67 N HN 0.407 nan 8.380 nan 0.000 0.493 68 I N 2.127 122.748 120.570 0.085 0.000 2.588 68 I HA 0.027 4.196 4.170 -0.001 0.000 0.283 68 I C 0.694 176.975 176.117 0.273 0.000 1.119 68 I CA 0.165 61.583 61.300 0.197 0.000 1.419 68 I CB 0.522 38.583 38.000 0.101 0.000 1.394 68 I HN 0.119 nan 8.210 nan 0.000 0.562 69 K N 6.462 127.057 120.400 0.326 0.000 2.259 69 K HA 0.557 4.877 4.320 -0.001 0.000 0.252 69 K C -1.281 175.480 176.600 0.267 0.000 0.936 69 K CA -0.660 55.746 56.287 0.198 0.000 0.810 69 K CB 2.055 34.640 32.500 0.142 0.000 1.143 69 K HN 0.467 nan 8.250 nan 0.000 0.427 70 Y N -1.883 118.503 120.300 0.143 0.000 2.576 70 Y HA 0.440 4.989 4.550 -0.001 0.000 0.346 70 Y C -0.928 175.035 175.900 0.106 0.000 1.018 70 Y CA -1.549 56.633 58.100 0.137 0.000 1.050 70 Y CB 1.207 39.766 38.460 0.165 0.000 1.280 70 Y HN 0.386 nan 8.280 nan 0.000 0.474 71 D N 3.937 124.482 120.400 0.242 0.000 2.339 71 D HA 0.249 4.888 4.640 -0.001 0.000 0.241 71 D C -1.616 174.838 176.300 0.256 0.000 1.183 71 D CA -2.570 51.514 54.000 0.140 0.000 0.859 71 D CB 1.534 42.388 40.800 0.089 0.000 1.067 71 D HN 0.446 nan 8.370 nan 0.000 0.484 72 P HA -0.122 nan 4.420 nan 0.000 0.219 72 P C 1.395 178.828 177.300 0.222 0.000 1.146 72 P CA 0.732 64.012 63.100 0.300 0.000 0.808 72 P CB 0.351 32.162 31.700 0.185 0.000 0.779 73 L N -0.620 120.684 121.223 0.136 0.000 2.599 73 L HA 0.072 4.411 4.340 -0.001 0.000 0.230 73 L C 2.633 179.538 176.870 0.058 0.000 1.141 73 L CA 0.422 55.320 54.840 0.096 0.000 0.877 73 L CB -0.671 41.426 42.059 0.062 0.000 1.009 73 L HN -0.014 nan 8.230 nan 0.000 0.447 74 K N 0.459 120.868 120.400 0.016 0.000 2.057 74 K HA -0.135 4.184 4.320 -0.001 0.000 0.207 74 K C -0.085 176.371 176.600 -0.239 0.000 1.049 74 K CA 1.087 57.270 56.287 -0.174 0.000 0.931 74 K CB 0.111 32.425 32.500 -0.311 0.000 0.714 74 K HN 0.057 nan 8.250 nan 0.000 0.440 75 Y N 0.929 121.349 120.300 0.200 0.000 2.342 75 Y HA 0.252 4.801 4.550 -0.001 0.000 0.334 75 Y C -0.003 175.981 175.900 0.140 0.000 1.067 75 Y CA -1.047 57.164 58.100 0.184 0.000 1.128 75 Y CB 1.387 39.908 38.460 0.101 0.000 1.200 75 Y HN 0.297 nan 8.280 nan 0.000 0.464 76 N N -0.588 118.280 118.700 0.280 0.000 3.344 76 N HA 0.549 5.288 4.740 -0.001 0.000 0.296 76 N C 0.142 175.703 175.510 0.085 0.000 1.571 76 N CA -0.419 52.727 53.050 0.160 0.000 0.844 76 N CB 0.333 38.907 38.487 0.146 0.000 1.718 76 N HN 0.435 nan 8.380 nan 0.000 0.589 77 A N -1.190 121.610 122.820 -0.033 0.000 1.978 77 A HA -0.183 4.136 4.320 -0.001 0.000 0.220 77 A C 1.011 178.436 177.584 -0.267 0.000 1.170 77 A CA 1.372 53.285 52.037 -0.207 0.000 0.636 77 A CB -1.079 17.698 19.000 -0.371 0.000 0.810 77 A HN 0.699 nan 8.150 nan 0.000 0.448 78 H N -2.942 116.187 119.070 0.098 0.000 2.551 78 H HA 0.149 4.704 4.556 -0.001 0.000 0.271 78 H C -0.386 175.051 175.328 0.181 0.000 0.984 78 H CA 0.676 56.787 56.048 0.105 0.000 1.164 78 H CB 0.131 29.943 29.762 0.083 0.000 1.437 78 H HN 0.727 nan 8.280 nan 0.000 0.550 79 H N 0.510 119.669 119.070 0.147 0.000 2.895 79 H HA 0.279 4.835 4.556 -0.001 0.000 0.282 79 H C -0.821 174.652 175.328 0.242 0.000 1.338 79 H CA -0.445 55.708 56.048 0.175 0.000 1.595 79 H CB 0.273 30.134 29.762 0.166 0.000 1.771 79 H HN -0.053 nan 8.280 nan 0.000 0.573 80 K N 2.255 122.611 120.400 -0.073 0.000 2.098 80 K HA 0.316 4.635 4.320 -0.001 0.000 0.261 80 K C -0.721 175.657 176.600 -0.371 0.000 0.987 80 K CA -1.287 54.923 56.287 -0.128 0.000 0.916 80 K CB 1.758 34.178 32.500 -0.134 0.000 1.039 80 K HN 0.227 nan 8.250 nan 0.000 0.455 81 L N 2.657 123.516 121.223 -0.606 0.000 2.315 81 L HA 0.141 4.480 4.340 -0.001 0.000 0.283 81 L C -0.790 175.787 176.870 -0.489 0.000 1.089 81 L CA 0.324 54.683 54.840 -0.801 0.000 0.833 81 L CB 0.132 41.550 42.059 -1.067 0.000 1.170 81 L HN 0.380 nan 8.230 nan 0.000 0.442 82 K N 5.016 125.160 120.400 -0.426 0.000 2.234 82 K HA 0.491 4.810 4.320 -0.001 0.000 0.277 82 K C -1.153 175.101 176.600 -0.577 0.000 1.038 82 K CA -0.649 55.351 56.287 -0.479 0.000 0.888 82 K CB 1.615 33.881 32.500 -0.389 0.000 1.091 82 K HN 0.395 nan 8.250 nan 0.000 0.467 83 V N 4.729 124.191 119.914 -0.754 0.000 2.409 83 V HA 0.356 4.475 4.120 -0.001 0.000 0.291 83 V C -0.851 174.704 176.094 -0.898 0.000 1.020 83 V CA -0.820 60.996 62.300 -0.807 0.000 0.848 83 V CB 0.633 31.817 31.823 -1.066 0.000 0.990 83 V HN 0.541 nan 8.190 nan 0.000 0.430 84 F N 3.735 123.432 119.950 -0.421 0.000 2.361 84 F HA 0.501 5.028 4.527 -0.001 0.000 0.364 84 F C 0.190 175.804 175.800 -0.310 0.000 1.117 84 F CA -0.706 57.101 58.000 -0.322 0.000 1.071 84 F CB 1.740 40.620 39.000 -0.200 0.000 1.188 84 F HN 0.186 nan 8.300 nan 0.000 0.464 85 V N 5.086 124.953 119.914 -0.078 0.000 2.385 85 V HA 0.293 4.413 4.120 -0.001 0.000 0.269 85 V C -0.183 176.004 176.094 0.155 0.000 1.043 85 V CA -0.623 61.696 62.300 0.032 0.000 0.906 85 V CB 1.257 33.175 31.823 0.159 0.000 0.995 85 V HN 0.428 nan 8.190 nan 0.000 0.467 86 V N 8.436 128.389 119.914 0.066 0.000 2.293 86 V HA 0.313 4.432 4.120 -0.001 0.000 0.275 86 V C -2.350 173.771 176.094 0.045 0.000 1.021 86 V CA -1.932 60.371 62.300 0.006 0.000 0.815 86 V CB 1.463 33.199 31.823 -0.146 0.000 1.025 86 V HN 0.725 nan 8.190 nan 0.000 0.448 87 P HA 0.312 nan 4.420 nan 0.000 0.271 87 P C -0.856 176.419 177.300 -0.042 0.000 1.216 87 P CA 0.283 63.334 63.100 -0.082 0.000 0.771 87 P CB 0.339 31.785 31.700 -0.424 0.000 0.864 88 H N -1.047 118.013 119.070 -0.017 0.000 2.990 88 H HA 0.788 5.344 4.556 -0.001 0.000 0.336 88 H C -1.496 173.943 175.328 0.186 0.000 1.306 88 H CA -1.114 54.837 56.048 -0.162 0.000 1.118 88 H CB 0.978 30.594 29.762 -0.244 0.000 1.856 88 H HN 0.189 nan 8.280 nan 0.000 0.538 89 S N 0.754 116.476 115.700 0.037 0.000 2.776 89 S HA 0.204 4.673 4.470 -0.001 0.000 0.284 89 S C -1.815 172.715 174.600 -0.117 0.000 1.160 89 S CA -0.663 57.595 58.200 0.096 0.000 1.051 89 S CB 0.119 63.560 63.200 0.402 0.000 1.037 89 S HN 0.837 nan 8.310 nan 0.000 0.485 90 H N 4.449 123.416 119.070 -0.173 0.000 2.864 90 H HA 0.410 4.965 4.556 -0.001 0.000 0.281 90 H C -0.100 174.825 175.328 -0.672 0.000 1.093 90 H CA 0.359 56.211 56.048 -0.326 0.000 1.453 90 H CB 0.209 29.795 29.762 -0.292 0.000 1.462 90 H HN 0.563 nan 8.280 nan 0.000 0.480 91 N N 5.428 123.480 118.700 -1.080 0.000 2.518 91 N HA 0.056 4.796 4.740 -0.001 0.000 0.254 91 N C -1.172 173.892 175.510 -0.744 0.000 0.979 91 N CA -0.653 51.624 53.050 -1.287 0.000 0.930 91 N CB 1.059 39.077 38.487 -0.781 0.000 1.152 91 N HN 0.640 nan 8.380 nan 0.000 0.505 92 D N 2.688 122.711 120.400 -0.628 0.000 2.343 92 D HA 0.107 4.747 4.640 -0.001 0.000 0.255 92 D C -2.029 174.333 176.300 0.102 0.000 1.187 92 D CA -1.042 52.844 54.000 -0.190 0.000 0.875 92 D CB 1.338 42.298 40.800 0.266 0.000 1.136 92 D HN 0.217 nan 8.370 nan 0.000 0.469 93 P HA 0.200 nan 4.420 nan 0.000 0.231 93 P C -0.016 177.493 177.300 0.347 0.000 1.756 93 P CA -0.052 63.060 63.100 0.020 0.000 0.990 93 P CB 0.142 31.719 31.700 -0.205 0.000 1.973 94 G N 0.284 109.464 108.800 0.633 0.000 3.067 94 G HA2 0.014 3.974 3.960 -0.001 0.000 0.686 94 G HA3 0.014 3.974 3.960 -0.001 0.000 0.686 94 G C -1.090 174.346 174.900 0.893 0.000 1.119 94 G CA -0.640 44.854 45.100 0.656 0.000 0.790 94 G HN 0.350 nan 8.290 nan 0.000 0.605 95 W N 2.153 123.792 121.300 0.565 0.000 4.491 95 W HA 0.240 4.900 4.660 -0.001 0.000 0.161 95 W C 1.726 178.426 176.519 0.301 0.000 3.471 95 W CA 1.261 58.907 57.345 0.501 0.000 1.147 95 W CB -0.836 29.005 29.460 0.636 0.000 2.109 95 W HN 0.967 nan 8.180 nan 0.000 0.361 96 I N 0.874 121.420 120.570 -0.039 0.000 3.860 96 I HA 0.333 4.502 4.170 -0.001 0.000 0.319 96 I C 0.191 176.196 176.117 -0.187 0.000 1.279 96 I CA 0.470 61.593 61.300 -0.296 0.000 1.220 96 I CB 0.023 37.709 38.000 -0.523 0.000 1.027 96 I HN -0.017 nan 8.210 nan 0.000 0.428 97 Q N 1.509 121.051 119.800 -0.430 0.000 2.458 97 Q HA 0.399 4.739 4.340 -0.001 0.000 0.282 97 Q C -0.276 175.484 176.000 -0.400 0.000 1.106 97 Q CA -0.819 54.672 55.803 -0.520 0.000 0.814 97 Q CB 2.054 30.217 28.738 -0.958 0.000 1.425 97 Q HN 0.339 nan 8.270 nan 0.000 0.437 98 T N -2.155 112.273 114.554 -0.210 0.000 2.766 98 T HA 0.120 4.470 4.350 -0.001 0.000 0.295 98 T C 0.793 175.575 174.700 0.137 0.000 1.024 98 T CA -0.463 61.586 62.100 -0.085 0.000 1.018 98 T CB 0.310 69.160 68.868 -0.031 0.000 1.002 98 T HN 0.572 nan 8.240 nan 0.000 0.532 99 F N 1.210 121.222 119.950 0.104 0.000 2.063 99 F HA -0.167 4.359 4.527 -0.001 0.000 0.298 99 F C 2.447 178.430 175.800 0.305 0.000 1.109 99 F CA 2.421 60.561 58.000 0.233 0.000 1.212 99 F CB -0.328 38.707 39.000 0.058 0.000 0.973 99 F HN 0.778 nan 8.300 nan 0.000 0.480 100 E N 0.337 120.737 120.200 0.332 0.000 2.107 100 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 100 E C 2.008 178.654 176.600 0.078 0.000 0.982 100 E CA 1.645 58.185 56.400 0.233 0.000 0.809 100 E CB -0.273 29.568 29.700 0.235 0.000 0.756 100 E HN 0.612 nan 8.360 nan 0.000 0.459 101 E N -1.017 119.166 120.200 -0.029 0.000 2.051 101 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 101 E C 1.766 178.156 176.600 -0.350 0.000 0.991 101 E CA 1.144 57.359 56.400 -0.307 0.000 0.799 101 E CB -0.233 29.339 29.700 -0.215 0.000 0.748 101 E HN 0.334 nan 8.360 nan 0.000 0.449 102 Y N -0.619 119.628 120.300 -0.089 0.000 2.224 102 Y HA -0.239 4.310 4.550 -0.001 0.000 0.289 102 Y C 2.155 177.992 175.900 -0.104 0.000 1.146 102 Y CA 1.080 59.118 58.100 -0.102 0.000 1.182 102 Y CB -0.679 37.817 38.460 0.060 0.000 0.983 102 Y HN 0.194 nan 8.280 nan 0.000 0.524 103 Y N 0.823 121.138 120.300 0.024 0.000 2.145 103 Y HA -0.269 4.280 4.550 -0.001 0.000 0.286 103 Y C 2.263 178.135 175.900 -0.048 0.000 1.145 103 Y CA 1.843 59.914 58.100 -0.048 0.000 1.148 103 Y CB -0.315 38.107 38.460 -0.064 0.000 0.981 103 Y HN 0.040 nan 8.280 nan 0.000 0.507 104 Q N -0.673 119.035 119.800 -0.153 0.000 2.123 104 Q HA -0.154 4.185 4.340 -0.001 0.000 0.199 104 Q C 2.078 178.070 176.000 -0.014 0.000 0.966 104 Q CA 2.075 57.772 55.803 -0.177 0.000 0.845 104 Q CB -0.516 28.158 28.738 -0.107 0.000 0.907 104 Q HN 0.775 nan 8.270 nan 0.000 0.439 105 H N -0.749 118.341 119.070 0.035 0.000 2.465 105 H HA 0.053 4.608 4.556 -0.001 0.000 0.289 105 H C 0.929 176.347 175.328 0.150 0.000 1.022 105 H CA 0.653 56.752 56.048 0.084 0.000 1.340 105 H CB 0.681 30.457 29.762 0.024 0.000 1.437 105 H HN 0.202 nan 8.280 nan 0.000 0.539 106 D N -0.995 119.513 120.400 0.179 0.000 3.165 106 D HA 0.012 4.651 4.640 -0.001 0.000 0.264 106 D C 1.719 178.079 176.300 0.100 0.000 1.363 106 D CA 0.519 54.610 54.000 0.153 0.000 1.166 106 D CB -0.020 40.767 40.800 -0.023 0.000 1.291 106 D HN 0.060 nan 8.370 nan 0.000 0.390 107 T N 2.511 117.041 114.554 -0.041 0.000 2.821 107 T HA -0.136 4.213 4.350 -0.001 0.000 0.267 107 T C 1.941 176.480 174.700 -0.268 0.000 1.046 107 T CA 1.391 63.432 62.100 -0.098 0.000 1.139 107 T CB -0.079 68.575 68.868 -0.356 0.000 0.871 107 T HN 0.245 nan 8.240 nan 0.000 0.454 108 K N 0.825 120.869 120.400 -0.593 0.000 2.147 108 K HA -0.154 4.166 4.320 -0.001 0.000 0.205 108 K C 1.920 178.263 176.600 -0.428 0.000 1.049 108 K CA 1.412 57.328 56.287 -0.618 0.000 0.936 108 K CB -0.380 31.533 32.500 -0.977 0.000 0.722 108 K HN 0.405 nan 8.250 nan 0.000 0.446 109 H N 1.033 120.037 119.070 -0.111 0.000 2.363 109 H HA 0.056 4.611 4.556 -0.001 0.000 0.301 109 H C 2.315 177.654 175.328 0.018 0.000 1.074 109 H CA 1.397 57.438 56.048 -0.012 0.000 1.354 109 H CB -0.172 29.608 29.762 0.030 0.000 1.397 109 H HN 0.181 nan 8.280 nan 0.000 0.516 110 I N 0.831 121.487 120.570 0.143 0.000 2.163 110 I HA -0.282 3.887 4.170 -0.001 0.000 0.243 110 I C 2.450 178.580 176.117 0.021 0.000 1.085 110 I CA 1.199 62.626 61.300 0.212 0.000 1.347 110 I CB -0.287 37.907 38.000 0.323 0.000 1.044 110 I HN 0.093 nan 8.210 nan 0.000 0.408 111 L N -0.463 120.554 121.223 -0.344 0.000 2.109 111 L HA -0.170 4.169 4.340 -0.001 0.000 0.207 111 L C 2.720 179.226 176.870 -0.606 0.000 1.086 111 L CA 1.147 55.538 54.840 -0.749 0.000 0.760 111 L CB -0.502 40.544 42.059 -1.689 0.000 0.910 111 L HN 0.244 nan 8.230 nan 0.000 0.437 112 S N 0.222 115.696 115.700 -0.377 0.000 2.368 112 S HA -0.143 4.326 4.470 -0.001 0.000 0.224 112 S C 1.812 176.389 174.600 -0.038 0.000 1.029 112 S CA 1.459 59.675 58.200 0.026 0.000 0.988 112 S CB -0.146 63.143 63.200 0.149 0.000 0.838 112 S HN 0.436 nan 8.310 nan 0.000 0.462 113 N N 1.653 120.329 118.700 -0.040 0.000 2.270 113 N HA 0.119 4.858 4.740 -0.001 0.000 0.181 113 N C 1.812 177.025 175.510 -0.495 0.000 1.016 113 N CA 1.110 54.096 53.050 -0.107 0.000 0.870 113 N CB -0.777 37.748 38.487 0.064 0.000 0.979 113 N HN 0.506 nan 8.380 nan 0.000 0.431 114 A N 1.159 123.723 122.820 -0.427 0.000 1.902 114 A HA -0.086 4.233 4.320 -0.001 0.000 0.217 114 A C 2.183 179.495 177.584 -0.455 0.000 1.181 114 A CA 0.918 52.540 52.037 -0.693 0.000 0.623 114 A CB -0.731 18.133 19.000 -0.227 0.000 0.818 114 A HN 0.221 nan 8.150 nan 0.000 0.443 115 L N 0.287 121.383 121.223 -0.212 0.000 2.012 115 L HA -0.183 4.157 4.340 -0.001 0.000 0.210 115 L C 2.485 179.275 176.870 -0.134 0.000 1.073 115 L CA 2.643 57.429 54.840 -0.090 0.000 0.748 115 L CB -0.673 41.401 42.059 0.025 0.000 0.891 115 L HN 0.530 nan 8.230 nan 0.000 0.431 116 R N -1.744 118.641 120.500 -0.192 0.000 2.066 116 R HA -0.167 4.172 4.340 -0.001 0.000 0.232 116 R C 2.335 178.451 176.300 -0.306 0.000 1.131 116 R CA 1.623 57.594 56.100 -0.215 0.000 0.955 116 R CB -0.586 29.574 30.300 -0.233 0.000 0.851 116 R HN 0.561 nan 8.270 nan 0.000 0.432 117 H N 0.496 119.271 119.070 -0.492 0.000 2.389 117 H HA -0.056 4.499 4.556 -0.001 0.000 0.299 117 H C 2.266 177.375 175.328 -0.365 0.000 1.081 117 H CA 1.615 57.358 56.048 -0.508 0.000 1.345 117 H CB 0.090 29.288 29.762 -0.939 0.000 1.393 117 H HN 0.242 nan 8.280 nan 0.000 0.520 118 L N -0.298 120.751 121.223 -0.291 0.000 2.056 118 L HA -0.176 4.164 4.340 -0.001 0.000 0.207 118 L C 2.664 179.505 176.870 -0.048 0.000 1.078 118 L CA 1.258 56.014 54.840 -0.140 0.000 0.749 118 L CB -0.550 41.441 42.059 -0.113 0.000 0.901 118 L HN 0.275 nan 8.230 nan 0.000 0.433 119 H N 0.362 119.357 119.070 -0.125 0.000 2.352 119 H HA -0.206 4.349 4.556 -0.001 0.000 0.299 119 H C 1.665 176.945 175.328 -0.079 0.000 1.097 119 H CA 2.089 58.088 56.048 -0.081 0.000 1.311 119 H CB 0.057 29.771 29.762 -0.080 0.000 1.377 119 H HN 0.220 nan 8.280 nan 0.000 0.504 120 D N -0.315 120.032 120.400 -0.089 0.000 2.317 120 D HA -0.021 4.618 4.640 -0.001 0.000 0.211 120 D C -0.175 176.068 176.300 -0.095 0.000 0.966 120 D CA 0.608 54.532 54.000 -0.127 0.000 0.876 120 D CB 0.039 40.768 40.800 -0.117 0.000 0.927 120 D HN 0.406 nan 8.370 nan 0.000 0.519 121 N N 0.447 119.107 118.700 -0.065 0.000 2.716 121 N HA 0.141 4.880 4.740 -0.001 0.000 0.253 121 N C -2.217 173.297 175.510 0.006 0.000 1.170 121 N CA -1.018 52.030 53.050 -0.003 0.000 0.807 121 N CB 2.377 40.893 38.487 0.047 0.000 1.183 121 N HN -0.124 nan 8.380 nan 0.000 0.524 122 P HA -0.077 nan 4.420 nan 0.000 0.222 122 P C 0.891 178.220 177.300 0.049 0.000 1.147 122 P CA 1.164 64.265 63.100 0.002 0.000 0.790 122 P CB 0.550 32.245 31.700 -0.009 0.000 0.780 123 E N -1.739 118.520 120.200 0.099 0.000 2.474 123 E HA 0.064 4.413 4.350 -0.001 0.000 0.194 123 E C 0.774 177.512 176.600 0.229 0.000 1.041 123 E CA 0.079 56.580 56.400 0.168 0.000 0.874 123 E CB -0.262 29.567 29.700 0.214 0.000 0.914 123 E HN 0.245 nan 8.360 nan 0.000 0.498 124 M N 1.549 121.219 119.600 0.116 0.000 2.242 124 M HA 0.121 4.600 4.480 -0.001 0.000 0.344 124 M C -0.332 175.948 176.300 -0.034 0.000 1.140 124 M CA 0.099 55.359 55.300 -0.066 0.000 1.160 124 M CB 0.475 33.029 32.600 -0.077 0.000 1.491 124 M HN -0.356 nan 8.290 nan 0.000 0.459 125 K N 2.912 123.248 120.400 -0.106 0.000 2.444 125 K HA 0.643 4.962 4.320 -0.001 0.000 0.252 125 K C -1.768 174.856 176.600 0.040 0.000 0.993 125 K CA -0.476 55.810 56.287 -0.001 0.000 0.847 125 K CB 2.295 34.819 32.500 0.040 0.000 1.340 125 K HN 0.660 nan 8.250 nan 0.000 0.446 126 F N 1.623 121.479 119.950 -0.157 0.000 2.654 126 F HA 0.432 4.958 4.527 -0.001 0.000 0.314 126 F C -1.397 174.288 175.800 -0.192 0.000 1.116 126 F CA -1.254 56.636 58.000 -0.183 0.000 1.017 126 F CB 1.005 39.978 39.000 -0.044 0.000 1.285 126 F HN 0.451 nan 8.300 nan 0.000 0.448 127 I N 1.932 122.155 120.570 -0.577 0.000 2.648 127 I HA 0.612 4.781 4.170 -0.001 0.000 0.304 127 I C -1.703 173.975 176.117 -0.732 0.000 1.009 127 I CA -0.601 60.325 61.300 -0.624 0.000 1.114 127 I CB 2.497 40.076 38.000 -0.701 0.000 1.293 127 I HN 0.698 nan 8.210 nan 0.000 0.449 128 W N 4.548 125.441 121.300 -0.677 0.000 2.957 128 W HA 0.624 5.283 4.660 -0.001 0.000 0.336 128 W C -0.724 175.704 176.519 -0.152 0.000 1.087 128 W CA -0.538 56.538 57.345 -0.448 0.000 1.235 128 W CB 2.676 31.916 29.460 -0.366 0.000 1.399 128 W HN 0.795 nan 8.180 nan 0.000 0.480 129 A N 3.480 125.918 122.820 -0.637 0.000 1.963 129 A HA 0.143 4.462 4.320 -0.001 0.000 0.207 129 A C 0.039 177.569 177.584 -0.090 0.000 1.243 129 A CA 0.566 52.471 52.037 -0.220 0.000 0.728 129 A CB -0.035 18.900 19.000 -0.108 0.000 0.895 129 A HN 0.512 nan 8.150 nan 0.000 0.467 130 E N 1.005 121.040 120.200 -0.274 0.000 2.001 130 E HA 0.301 4.650 4.350 -0.001 0.000 0.279 130 E C 0.425 177.183 176.600 0.264 0.000 1.045 130 E CA -0.267 56.147 56.400 0.023 0.000 0.833 130 E CB 0.741 30.457 29.700 0.026 0.000 1.077 130 E HN 0.280 nan 8.360 nan 0.000 0.397 131 I N 1.547 122.170 120.570 0.088 0.000 2.676 131 I HA -0.192 3.977 4.170 -0.001 0.000 0.259 131 I C 1.962 177.733 176.117 -0.576 0.000 1.194 131 I CA 0.903 62.183 61.300 -0.032 0.000 1.473 131 I CB -1.326 36.698 38.000 0.041 0.000 1.096 131 I HN 0.416 nan 8.210 nan 0.000 0.443 132 S N 1.127 116.199 115.700 -1.047 0.000 2.365 132 S HA -0.264 4.205 4.470 -0.001 0.000 0.225 132 S C 2.133 176.462 174.600 -0.452 0.000 1.039 132 S CA 1.296 58.526 58.200 -1.617 0.000 1.033 132 S CB -1.010 61.302 63.200 -1.479 0.000 0.887 132 S HN 0.361 nan 8.310 nan 0.000 0.447 133 Y N 0.564 120.896 120.300 0.052 0.000 2.263 133 Y HA 0.153 4.702 4.550 -0.001 0.000 0.292 133 Y C 2.178 178.151 175.900 0.121 0.000 1.130 133 Y CA 0.222 58.443 58.100 0.202 0.000 1.179 133 Y CB -0.863 37.822 38.460 0.375 0.000 0.998 133 Y HN 0.339 nan 8.280 nan 0.000 0.532 134 F N -0.027 120.006 119.950 0.138 0.000 2.146 134 F HA -0.151 4.375 4.527 -0.001 0.000 0.298 134 F C 2.353 177.991 175.800 -0.270 0.000 1.096 134 F CA 1.299 59.257 58.000 -0.069 0.000 1.275 134 F CB -0.464 38.485 39.000 -0.085 0.000 1.008 134 F HN -0.027 nan 8.300 nan 0.000 0.480 135 A N 0.138 122.619 122.820 -0.564 0.000 1.933 135 A HA -0.213 4.106 4.320 -0.001 0.000 0.218 135 A C 2.134 179.632 177.584 -0.143 0.000 1.175 135 A CA 1.747 53.318 52.037 -0.778 0.000 0.628 135 A CB -0.731 17.700 19.000 -0.948 0.000 0.814 135 A HN 0.384 nan 8.150 nan 0.000 0.444 136 R N -0.967 119.472 120.500 -0.101 0.000 2.096 136 R HA -0.124 4.215 4.340 -0.001 0.000 0.235 136 R C 1.703 177.931 176.300 -0.121 0.000 1.127 136 R CA 1.983 58.020 56.100 -0.104 0.000 0.968 136 R CB -0.880 29.307 30.300 -0.190 0.000 0.861 136 R HN 0.490 nan 8.270 nan 0.000 0.440 137 F N -0.486 119.366 119.950 -0.163 0.000 2.128 137 F HA -0.086 4.441 4.527 -0.001 0.000 0.295 137 F C 1.889 177.609 175.800 -0.134 0.000 1.100 137 F CA 1.442 59.411 58.000 -0.052 0.000 1.260 137 F CB -0.726 38.183 39.000 -0.152 0.000 1.009 137 F HN 0.114 nan 8.300 nan 0.000 0.476 138 Y N 0.110 120.171 120.300 -0.397 0.000 2.293 138 Y HA -0.208 4.341 4.550 -0.001 0.000 0.291 138 Y C 2.414 178.071 175.900 -0.406 0.000 1.137 138 Y CA 1.974 59.804 58.100 -0.451 0.000 1.202 138 Y CB -0.595 37.733 38.460 -0.220 0.000 0.990 138 Y HN 0.149 nan 8.280 nan 0.000 0.537 139 H N -1.059 117.980 119.070 -0.051 0.000 2.551 139 H HA 0.005 4.560 4.556 -0.001 0.000 0.266 139 H C 0.667 175.897 175.328 -0.164 0.000 0.977 139 H CA 1.018 57.013 56.048 -0.089 0.000 1.163 139 H CB 0.111 29.879 29.762 0.010 0.000 1.381 139 H HN 0.447 nan 8.280 nan 0.000 0.581 140 D N 0.160 120.464 120.400 -0.159 0.000 2.339 140 D HA 0.089 4.728 4.640 -0.001 0.000 0.217 140 D C 0.592 176.710 176.300 -0.302 0.000 1.050 140 D CA 0.083 53.974 54.000 -0.182 0.000 0.856 140 D CB 0.595 41.325 40.800 -0.118 0.000 0.922 140 D HN 0.210 nan 8.370 nan 0.000 0.518 141 L N 0.721 121.671 121.223 -0.454 0.000 2.326 141 L HA 0.380 4.719 4.340 -0.001 0.000 0.278 141 L C 1.312 177.986 176.870 -0.327 0.000 1.092 141 L CA -0.687 53.869 54.840 -0.473 0.000 0.810 141 L CB 1.248 42.919 42.059 -0.647 0.000 1.153 141 L HN -0.038 nan 8.230 nan 0.000 0.439 142 G N 0.912 109.571 108.800 -0.236 0.000 2.606 142 G HA2 0.029 3.988 3.960 -0.001 0.000 0.252 142 G HA3 0.029 3.988 3.960 -0.001 0.000 0.252 142 G C 0.648 175.446 174.900 -0.170 0.000 1.206 142 G CA -0.262 44.739 45.100 -0.165 0.000 0.861 142 G HN 0.770 nan 8.290 nan 0.000 0.561 143 E N 0.386 120.518 120.200 -0.114 0.000 2.118 143 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 143 E C 2.215 178.773 176.600 -0.071 0.000 0.992 143 E CA 1.805 58.153 56.400 -0.087 0.000 0.804 143 E CB -0.275 29.399 29.700 -0.042 0.000 0.741 143 E HN 0.671 nan 8.360 nan 0.000 0.458 144 N N -0.254 118.405 118.700 -0.069 0.000 2.069 144 N HA -0.144 4.595 4.740 -0.001 0.000 0.191 144 N C 1.560 177.027 175.510 -0.072 0.000 1.031 144 N CA 1.400 54.414 53.050 -0.059 0.000 0.852 144 N CB -0.026 38.424 38.487 -0.061 0.000 1.018 144 N HN 0.001 nan 8.380 nan 0.000 0.423 145 K N 1.316 121.654 120.400 -0.103 0.000 2.148 145 K HA -0.042 4.277 4.320 -0.001 0.000 0.204 145 K C 1.697 178.255 176.600 -0.069 0.000 1.050 145 K CA 0.944 57.171 56.287 -0.101 0.000 0.942 145 K CB -0.125 32.294 32.500 -0.134 0.000 0.724 145 K HN 0.293 nan 8.250 nan 0.000 0.446 146 K N 0.856 121.174 120.400 -0.136 0.000 2.057 146 K HA -0.059 4.260 4.320 -0.001 0.000 0.207 146 K C 2.293 178.967 176.600 0.123 0.000 1.049 146 K CA 0.989 57.225 56.287 -0.084 0.000 0.931 146 K CB -0.199 32.143 32.500 -0.264 0.000 0.714 146 K HN 0.041 nan 8.250 nan 0.000 0.440 147 L N 1.128 122.386 121.223 0.059 0.000 2.046 147 L HA -0.248 4.091 4.340 -0.001 0.000 0.208 147 L C 2.617 179.542 176.870 0.092 0.000 1.077 147 L CA 1.403 56.292 54.840 0.081 0.000 0.747 147 L CB -0.435 41.649 42.059 0.042 0.000 0.896 147 L HN 0.292 nan 8.230 nan 0.000 0.432 148 Q N -0.952 118.878 119.800 0.050 0.000 2.096 148 Q HA -0.277 4.062 4.340 -0.001 0.000 0.204 148 Q C 2.199 178.273 176.000 0.124 0.000 0.982 148 Q CA 1.801 57.631 55.803 0.045 0.000 0.850 148 Q CB -0.172 28.515 28.738 -0.085 0.000 0.901 148 Q HN 0.369 nan 8.270 nan 0.000 0.422 149 M N 0.994 120.702 119.600 0.179 0.000 2.132 149 M HA -0.139 4.340 4.480 -0.001 0.000 0.263 149 M C 1.611 178.087 176.300 0.294 0.000 1.065 149 M CA 1.737 57.212 55.300 0.291 0.000 1.122 149 M CB 0.060 32.938 32.600 0.462 0.000 1.365 149 M HN -0.103 nan 8.290 nan 0.000 0.411 150 K N -0.348 120.221 120.400 0.282 0.000 2.097 150 K HA -0.132 4.187 4.320 -0.001 0.000 0.206 150 K C 2.081 178.776 176.600 0.159 0.000 1.049 150 K CA 1.691 58.113 56.287 0.226 0.000 0.933 150 K CB -0.376 32.244 32.500 0.199 0.000 0.717 150 K HN 0.605 nan 8.250 nan 0.000 0.442 151 S N 1.694 117.479 115.700 0.141 0.000 2.368 151 S HA -0.139 4.330 4.470 -0.001 0.000 0.224 151 S C 2.117 176.778 174.600 0.102 0.000 1.029 151 S CA 1.218 59.485 58.200 0.111 0.000 0.988 151 S CB -0.718 62.549 63.200 0.113 0.000 0.838 151 S HN 0.463 nan 8.310 nan 0.000 0.462 152 I N -0.452 120.189 120.570 0.118 0.000 2.761 152 I HA 0.083 4.253 4.170 -0.001 0.000 0.261 152 I C 1.999 178.154 176.117 0.063 0.000 1.198 152 I CA 0.503 61.855 61.300 0.086 0.000 1.482 152 I CB -0.429 37.623 38.000 0.087 0.000 1.100 152 I HN 0.135 nan 8.210 nan 0.000 0.445 153 V N 1.564 121.534 119.914 0.094 0.000 2.346 153 V HA -0.197 3.922 4.120 -0.001 0.000 0.244 153 V C 2.712 178.844 176.094 0.063 0.000 1.037 153 V CA 1.976 64.322 62.300 0.076 0.000 1.029 153 V CB -0.732 31.197 31.823 0.177 0.000 0.663 153 V HN 0.424 nan 8.190 nan 0.000 0.454 154 K N 1.313 121.757 120.400 0.074 0.000 2.097 154 K HA -0.214 4.105 4.320 -0.001 0.000 0.206 154 K C 1.732 178.352 176.600 0.034 0.000 1.049 154 K CA 1.771 58.089 56.287 0.053 0.000 0.933 154 K CB -0.202 32.331 32.500 0.055 0.000 0.717 154 K HN 0.668 nan 8.250 nan 0.000 0.442 155 N N -0.587 118.134 118.700 0.034 0.000 2.461 155 N HA -0.005 4.734 4.740 -0.001 0.000 0.188 155 N C 0.808 176.325 175.510 0.012 0.000 1.134 155 N CA 1.057 54.120 53.050 0.022 0.000 0.878 155 N CB 0.414 38.915 38.487 0.024 0.000 0.972 155 N HN 0.298 nan 8.380 nan 0.000 0.456 156 G N -0.258 108.546 108.800 0.006 0.000 2.159 156 G HA2 -0.343 3.616 3.960 -0.001 0.000 0.256 156 G HA3 -0.343 3.616 3.960 -0.001 0.000 0.256 156 G C 0.785 175.674 174.900 -0.018 0.000 0.977 156 G CA 0.509 45.601 45.100 -0.013 0.000 0.652 156 G HN 0.468 nan 8.290 nan 0.000 0.531 157 Q N -1.317 118.480 119.800 -0.005 0.000 2.096 157 Q HA 0.235 4.574 4.340 -0.001 0.000 0.197 157 Q C 1.182 177.174 176.000 -0.013 0.000 0.964 157 Q CA 0.987 56.790 55.803 0.001 0.000 0.838 157 Q CB 0.218 28.964 28.738 0.013 0.000 0.906 157 Q HN 0.571 nan 8.270 nan 0.000 0.444 158 L N 1.278 122.476 121.223 -0.043 0.000 2.272 158 L HA 0.288 4.628 4.340 -0.001 0.000 0.289 158 L C -0.938 175.761 176.870 -0.285 0.000 1.032 158 L CA -0.060 54.706 54.840 -0.124 0.000 0.810 158 L CB 1.422 43.413 42.059 -0.114 0.000 1.205 158 L HN -0.075 nan 8.230 nan 0.000 0.422 159 E N 4.216 124.208 120.200 -0.346 0.000 2.210 159 E HA 0.368 4.717 4.350 -0.001 0.000 0.266 159 E C -1.472 174.867 176.600 -0.435 0.000 0.883 159 E CA -0.730 55.477 56.400 -0.321 0.000 0.761 159 E CB 0.985 30.569 29.700 -0.194 0.000 1.156 159 E HN 0.496 nan 8.360 nan 0.000 0.412 160 F N 3.160 123.061 119.950 -0.082 0.000 2.412 160 F HA 0.239 4.765 4.527 -0.001 0.000 0.348 160 F C 0.238 176.004 175.800 -0.056 0.000 1.102 160 F CA -0.521 57.441 58.000 -0.062 0.000 1.196 160 F CB 1.280 40.254 39.000 -0.043 0.000 1.144 160 F HN 0.187 nan 8.300 nan 0.000 0.541 161 V N -0.051 119.923 119.914 0.100 0.000 2.495 161 V HA 0.651 4.770 4.120 -0.001 0.000 0.298 161 V C 0.217 176.438 176.094 0.210 0.000 1.031 161 V CA -0.547 61.808 62.300 0.090 0.000 0.871 161 V CB 0.870 32.638 31.823 -0.092 0.000 0.988 161 V HN 0.981 nan 8.190 nan 0.000 0.432 162 T N 3.166 117.922 114.554 0.335 0.000 13.132 162 T HA -0.304 4.046 4.350 -0.001 0.000 0.419 162 T C 1.732 176.666 174.700 0.390 0.000 1.442 162 T CA 2.840 65.187 62.100 0.411 0.000 2.366 162 T CB -1.690 67.319 68.868 0.234 0.000 2.813 162 T HN 2.783 nan 8.240 nan 0.000 0.650 163 G N 1.838 110.801 108.800 0.272 0.000 2.132 163 G HA2 0.132 4.091 3.960 -0.001 0.000 0.234 163 G HA3 0.132 4.091 3.960 -0.001 0.000 0.234 163 G C 0.300 175.342 174.900 0.237 0.000 0.989 163 G CA 0.563 45.800 45.100 0.227 0.000 0.676 163 G HN 1.559 nan 8.290 nan 0.000 0.522 164 G N -1.629 107.310 108.800 0.231 0.000 2.599 164 G HA2 0.375 4.334 3.960 -0.001 0.000 0.264 164 G HA3 0.375 4.334 3.960 -0.001 0.000 0.264 164 G C 0.968 176.049 174.900 0.302 0.000 1.200 164 G CA 0.154 45.402 45.100 0.248 0.000 0.896 164 G HN 0.328 nan 8.290 nan 0.000 0.536 165 W N 0.292 121.639 121.300 0.078 0.000 2.342 165 W HA -0.031 4.628 4.660 -0.001 0.000 0.297 165 W C 0.699 177.251 176.519 0.056 0.000 1.213 165 W CA 1.845 59.223 57.345 0.055 0.000 1.251 165 W CB 0.255 29.729 29.460 0.024 0.000 1.136 165 W HN 0.398 nan 8.180 nan 0.000 0.526 166 V N -2.687 117.358 119.914 0.218 0.000 3.105 166 V HA 0.502 4.622 4.120 -0.001 0.000 0.311 166 V C -0.436 175.748 176.094 0.150 0.000 1.287 166 V CA -1.291 61.080 62.300 0.118 0.000 1.066 166 V CB 1.725 33.636 31.823 0.147 0.000 1.105 166 V HN -0.055 nan 8.190 nan 0.000 0.462 167 M N 3.907 123.624 119.600 0.194 0.000 2.103 167 M HA 0.522 5.002 4.480 -0.001 0.000 0.350 167 M C -2.730 173.727 176.300 0.262 0.000 1.100 167 M CA -1.877 53.551 55.300 0.214 0.000 1.042 167 M CB 1.479 34.229 32.600 0.249 0.000 1.368 167 M HN 0.631 nan 8.290 nan 0.000 0.404 168 P HA 0.137 nan 4.420 nan 0.000 0.277 168 P C -0.954 176.361 177.300 0.025 0.000 1.240 168 P CA -0.190 62.963 63.100 0.089 0.000 0.798 168 P CB 0.599 32.338 31.700 0.065 0.000 0.979 169 D N 0.869 121.246 120.400 -0.039 0.000 2.478 169 D HA -0.100 4.540 4.640 -0.001 0.000 0.234 169 D C 0.727 177.045 176.300 0.030 0.000 1.154 169 D CA 0.784 54.746 54.000 -0.063 0.000 0.874 169 D CB 0.461 41.231 40.800 -0.050 0.000 1.198 169 D HN 0.318 nan 8.370 nan 0.000 0.455 170 E N 1.406 121.669 120.200 0.105 0.000 2.511 170 E HA 0.179 4.528 4.350 -0.001 0.000 0.209 170 E C 0.976 177.759 176.600 0.305 0.000 0.986 170 E CA 0.090 56.618 56.400 0.212 0.000 0.974 170 E CB 0.618 30.456 29.700 0.229 0.000 1.030 170 E HN 0.479 nan 8.360 nan 0.000 0.490 171 A N 1.509 124.464 122.820 0.224 0.000 1.901 171 A HA 0.011 4.330 4.320 -0.001 0.000 0.210 171 A C 1.827 179.307 177.584 -0.174 0.000 1.208 171 A CA 0.660 52.596 52.037 -0.169 0.000 0.644 171 A CB 0.033 18.930 19.000 -0.171 0.000 0.863 171 A HN 0.033 nan 8.150 nan 0.000 0.454 172 N N 0.501 119.192 118.700 -0.015 0.000 2.356 172 N HA 0.019 4.759 4.740 -0.001 0.000 0.178 172 N C 0.397 175.905 175.510 -0.003 0.000 1.075 172 N CA 0.741 53.777 53.050 -0.024 0.000 0.889 172 N CB 0.099 38.617 38.487 0.051 0.000 0.999 172 N HN 0.494 nan 8.380 nan 0.000 0.464 173 S N 0.701 116.409 115.700 0.013 0.000 2.564 173 S HA 0.048 4.517 4.470 -0.001 0.000 0.278 173 S C 0.023 174.645 174.600 0.037 0.000 1.333 173 S CA -0.560 57.657 58.200 0.029 0.000 1.048 173 S CB 1.181 64.400 63.200 0.032 0.000 0.900 173 S HN 0.204 nan 8.310 nan 0.000 0.505 174 H N 3.267 122.317 119.070 -0.034 0.000 2.582 174 H HA 0.044 4.600 4.556 -0.001 0.000 0.345 174 H C 1.241 176.542 175.328 -0.045 0.000 1.104 174 H CA -0.256 55.758 56.048 -0.056 0.000 1.390 174 H CB 0.541 30.218 29.762 -0.141 0.000 1.461 174 H HN 1.031 nan 8.280 nan 0.000 0.551 175 W N 5.690 126.875 121.300 -0.191 0.000 2.350 175 W HA -0.172 4.487 4.660 -0.001 0.000 0.289 175 W C 1.058 177.636 176.519 0.098 0.000 1.215 175 W CA 0.395 57.708 57.345 -0.053 0.000 1.236 175 W CB -0.477 28.887 29.460 -0.160 0.000 1.130 175 W HN 0.535 nan 8.180 nan 0.000 0.541 176 R N 0.724 120.856 120.500 -0.613 0.000 2.120 176 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 176 R C 1.987 178.124 176.300 -0.273 0.000 1.123 176 R CA 1.816 57.456 56.100 -0.766 0.000 0.975 176 R CB -0.353 29.450 30.300 -0.828 0.000 0.866 176 R HN 0.139 nan 8.270 nan 0.000 0.446 177 N N -0.319 118.307 118.700 -0.124 0.000 2.376 177 N HA -0.044 4.695 4.740 -0.001 0.000 0.177 177 N C 1.689 177.200 175.510 0.003 0.000 1.024 177 N CA 0.615 53.631 53.050 -0.057 0.000 0.893 177 N CB 0.081 38.553 38.487 -0.024 0.000 0.980 177 N HN -0.014 nan 8.380 nan 0.000 0.439 178 V N 1.455 121.395 119.914 0.043 0.000 2.295 178 V HA -0.180 3.939 4.120 -0.001 0.000 0.246 178 V C 2.332 178.469 176.094 0.070 0.000 1.049 178 V CA 1.122 63.465 62.300 0.072 0.000 1.024 178 V CB -0.487 31.398 31.823 0.103 0.000 0.648 178 V HN 0.196 nan 8.190 nan 0.000 0.447 179 L N -0.349 120.925 121.223 0.084 0.000 2.093 179 L HA -0.108 4.231 4.340 -0.001 0.000 0.208 179 L C 2.164 179.040 176.870 0.011 0.000 1.085 179 L CA 1.767 56.649 54.840 0.070 0.000 0.755 179 L CB -0.665 41.468 42.059 0.124 0.000 0.904 179 L HN 0.280 nan 8.230 nan 0.000 0.435 180 L N -0.065 121.143 121.223 -0.025 0.000 2.012 180 L HA -0.251 4.088 4.340 -0.001 0.000 0.210 180 L C 2.593 179.449 176.870 -0.023 0.000 1.073 180 L CA 2.356 57.170 54.840 -0.044 0.000 0.748 180 L CB -0.792 41.222 42.059 -0.074 0.000 0.891 180 L HN 0.676 nan 8.230 nan 0.000 0.431 181 Q N -0.973 118.837 119.800 0.015 0.000 2.172 181 Q HA -0.194 4.145 4.340 -0.001 0.000 0.200 181 Q C 2.024 178.104 176.000 0.133 0.000 0.964 181 Q CA 2.056 57.902 55.803 0.072 0.000 0.855 181 Q CB -1.189 27.628 28.738 0.131 0.000 0.918 181 Q HN 0.469 nan 8.270 nan 0.000 0.444 182 L N 0.793 122.080 121.223 0.107 0.000 2.046 182 L HA -0.090 4.249 4.340 -0.001 0.000 0.208 182 L C 1.914 178.862 176.870 0.131 0.000 1.077 182 L CA 2.421 57.339 54.840 0.130 0.000 0.747 182 L CB -0.963 41.150 42.059 0.090 0.000 0.896 182 L HN 0.334 nan 8.230 nan 0.000 0.432 183 T N -1.076 113.520 114.554 0.071 0.000 2.867 183 T HA -0.159 4.191 4.350 -0.001 0.000 0.268 183 T C 1.711 176.460 174.700 0.082 0.000 1.057 183 T CA 1.327 63.461 62.100 0.057 0.000 1.136 183 T CB -0.125 68.741 68.868 -0.003 0.000 0.874 183 T HN 0.317 nan 8.240 nan 0.000 0.466 184 E N 1.094 121.318 120.200 0.041 0.000 2.051 184 E HA -0.028 4.321 4.350 -0.001 0.000 0.192 184 E C 2.345 179.072 176.600 0.211 0.000 0.991 184 E CA 1.500 57.879 56.400 -0.036 0.000 0.799 184 E CB -0.832 28.650 29.700 -0.364 0.000 0.748 184 E HN 0.442 nan 8.360 nan 0.000 0.449 185 G N -0.169 108.857 108.800 0.376 0.000 2.403 185 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.216 185 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.216 185 G C 1.481 176.606 174.900 0.375 0.000 1.154 185 G CA 0.547 45.963 45.100 0.527 0.000 0.784 185 G HN 0.245 nan 8.290 nan 0.000 0.538 186 Q N -0.103 119.851 119.800 0.256 0.000 2.172 186 Q HA -0.057 4.282 4.340 -0.001 0.000 0.200 186 Q C 2.770 178.868 176.000 0.164 0.000 0.964 186 Q CA 1.421 57.334 55.803 0.182 0.000 0.855 186 Q CB -0.185 28.641 28.738 0.147 0.000 0.918 186 Q HN 0.407 nan 8.270 nan 0.000 0.444 187 T N 0.143 114.806 114.554 0.182 0.000 2.777 187 T HA -0.179 4.170 4.350 -0.001 0.000 0.266 187 T C 1.090 175.889 174.700 0.165 0.000 1.040 187 T CA 1.002 63.182 62.100 0.134 0.000 1.141 187 T CB -0.372 68.570 68.868 0.124 0.000 0.868 187 T HN 0.460 nan 8.240 nan 0.000 0.444 188 W N 1.648 123.052 121.300 0.172 0.000 2.335 188 W HA -0.082 4.577 4.660 -0.001 0.000 0.311 188 W C 1.811 178.452 176.519 0.204 0.000 1.213 188 W CA 1.032 58.566 57.345 0.315 0.000 1.274 188 W CB -0.468 29.259 29.460 0.445 0.000 1.148 188 W HN 0.151 nan 8.180 nan 0.000 0.498 189 L N 0.489 121.922 121.223 0.351 0.000 2.046 189 L HA -0.239 4.101 4.340 -0.001 0.000 0.208 189 L C 2.572 179.372 176.870 -0.115 0.000 1.077 189 L CA 1.912 56.781 54.840 0.048 0.000 0.747 189 L CB -0.949 41.075 42.059 -0.058 0.000 0.896 189 L HN -0.017 nan 8.230 nan 0.000 0.432 190 K N 0.031 120.384 120.400 -0.078 0.000 2.057 190 K HA -0.262 4.057 4.320 -0.001 0.000 0.207 190 K C 2.203 178.666 176.600 -0.229 0.000 1.049 190 K CA 1.586 57.803 56.287 -0.117 0.000 0.931 190 K CB -0.042 32.416 32.500 -0.071 0.000 0.714 190 K HN 0.231 nan 8.250 nan 0.000 0.440 191 Q N -0.904 118.682 119.800 -0.356 0.000 2.079 191 Q HA -0.141 4.198 4.340 -0.001 0.000 0.200 191 Q C 1.409 176.914 176.000 -0.825 0.000 0.974 191 Q CA 1.744 57.164 55.803 -0.637 0.000 0.840 191 Q CB 0.054 28.264 28.738 -0.881 0.000 0.898 191 Q HN 0.330 nan 8.270 nan 0.000 0.430 192 F N -1.526 118.071 119.950 -0.588 0.000 2.622 192 F HA 0.120 4.647 4.527 -0.001 0.000 0.288 192 F C 1.602 177.117 175.800 -0.474 0.000 1.120 192 F CA 0.242 57.839 58.000 -0.670 0.000 1.423 192 F CB 0.391 38.564 39.000 -1.378 0.000 1.127 192 F HN 0.099 nan 8.300 nan 0.000 0.588 193 M N -0.992 118.458 119.600 -0.250 0.000 2.308 193 M HA 0.231 4.711 4.480 -0.001 0.000 0.269 193 M C 0.285 176.562 176.300 -0.039 0.000 1.040 193 M CA 0.135 55.385 55.300 -0.083 0.000 1.024 193 M CB -1.167 31.405 32.600 -0.048 0.000 1.465 193 M HN 0.094 nan 8.290 nan 0.000 0.517 194 N N 1.904 120.549 118.700 -0.092 0.000 2.740 194 N HA -0.130 4.609 4.740 -0.001 0.000 0.248 194 N C -0.994 174.498 175.510 -0.031 0.000 1.062 194 N CA 0.717 53.729 53.050 -0.064 0.000 0.704 194 N CB -0.926 37.537 38.487 -0.041 0.000 0.968 194 N HN 0.368 nan 8.380 nan 0.000 0.547 195 V N -3.735 116.160 119.914 -0.032 0.000 3.049 195 V HA 0.866 4.986 4.120 -0.001 0.000 0.309 195 V C 0.059 176.136 176.094 -0.028 0.000 1.148 195 V CA -0.515 61.781 62.300 -0.006 0.000 0.990 195 V CB 2.348 34.212 31.823 0.068 0.000 1.039 195 V HN 0.054 nan 8.190 nan 0.000 0.430 196 T N 3.989 118.519 114.554 -0.041 0.000 2.930 196 T HA 0.567 4.916 4.350 -0.001 0.000 0.313 196 T C -2.716 171.901 174.700 -0.137 0.000 1.019 196 T CA -0.778 61.279 62.100 -0.073 0.000 1.004 196 T CB 1.309 70.126 68.868 -0.086 0.000 0.987 196 T HN 0.761 nan 8.240 nan 0.000 0.456 197 P HA 0.156 nan 4.420 nan 0.000 0.266 197 P C 0.841 177.747 177.300 -0.656 0.000 1.195 197 P CA -0.118 62.858 63.100 -0.206 0.000 0.768 197 P CB 0.529 32.226 31.700 -0.004 0.000 0.838 198 T N -1.736 112.489 114.554 -0.547 0.000 3.043 198 T HA 0.535 4.884 4.350 -0.001 0.000 0.272 198 T C 0.324 174.846 174.700 -0.298 0.000 0.990 198 T CA -0.272 61.396 62.100 -0.720 0.000 0.897 198 T CB 0.136 68.790 68.868 -0.357 0.000 1.111 198 T HN 0.409 nan 8.240 nan 0.000 0.529 199 A N 0.924 123.720 122.820 -0.041 0.000 2.343 199 A HA 0.800 5.119 4.320 -0.001 0.000 0.316 199 A C -0.134 177.708 177.584 0.430 0.000 1.104 199 A CA -0.691 51.471 52.037 0.209 0.000 0.768 199 A CB 1.768 20.909 19.000 0.234 0.000 1.213 199 A HN 0.274 nan 8.150 nan 0.000 0.456 200 S N 2.261 118.208 115.700 0.411 0.000 2.549 200 S HA 0.668 5.137 4.470 -0.001 0.000 0.297 200 S C -1.079 173.710 174.600 0.314 0.000 1.115 200 S CA -0.435 57.952 58.200 0.311 0.000 1.059 200 S CB 0.755 63.965 63.200 0.017 0.000 1.046 200 S HN 0.816 nan 8.310 nan 0.000 0.506 201 W N 4.675 125.990 121.300 0.025 0.000 2.463 201 W HA 0.627 5.287 4.660 -0.001 0.000 0.316 201 W C -1.413 175.056 176.519 -0.084 0.000 1.004 201 W CA -0.844 56.470 57.345 -0.052 0.000 1.309 201 W CB 1.088 30.489 29.460 -0.097 0.000 1.288 201 W HN 0.790 nan 8.180 nan 0.000 0.423 202 A N 7.873 130.548 122.820 -0.241 0.000 2.842 202 A HA 0.284 4.603 4.320 -0.001 0.000 0.339 202 A C 0.381 177.718 177.584 -0.411 0.000 1.177 202 A CA -0.489 51.407 52.037 -0.235 0.000 0.797 202 A CB -0.361 18.626 19.000 -0.022 0.000 1.094 202 A HN 0.702 nan 8.150 nan 0.000 0.474 203 I N -2.641 117.506 120.570 -0.706 0.000 3.603 203 I HA 0.258 4.428 4.170 -0.001 0.000 0.297 203 I C 0.816 176.608 176.117 -0.543 0.000 1.269 203 I CA 0.905 61.750 61.300 -0.758 0.000 1.361 203 I CB 0.372 37.681 38.000 -1.152 0.000 1.063 203 I HN 0.342 nan 8.210 nan 0.000 0.448 204 D N 0.315 120.354 120.400 -0.601 0.000 2.489 204 D HA 0.243 4.882 4.640 -0.001 0.000 0.231 204 D C -2.209 173.652 176.300 -0.733 0.000 1.114 204 D CA -0.696 52.936 54.000 -0.613 0.000 0.842 204 D CB 0.149 40.481 40.800 -0.780 0.000 1.133 204 D HN 0.171 nan 8.370 nan 0.000 0.506 205 P HA 0.052 nan 4.420 nan 0.000 0.267 205 P C -0.534 176.315 177.300 -0.752 0.000 1.200 205 P CA 0.060 62.642 63.100 -0.864 0.000 0.772 205 P CB 0.197 31.556 31.700 -0.568 0.000 0.855 206 F N 2.082 121.806 119.950 -0.377 0.000 2.541 206 F HA 0.542 5.068 4.527 -0.001 0.000 0.351 206 F C 1.408 177.148 175.800 -0.102 0.000 1.209 206 F CA -0.594 57.139 58.000 -0.444 0.000 1.277 206 F CB -1.066 37.825 39.000 -0.183 0.000 1.632 206 F HN 0.499 nan 8.300 nan 0.000 0.619 207 G N 1.225 109.782 108.800 -0.405 0.000 2.629 207 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.686 207 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.686 207 G C -1.492 173.038 174.900 -0.616 0.000 1.232 207 G CA -1.169 43.775 45.100 -0.260 0.000 0.803 207 G HN 0.587 nan 8.290 nan 0.000 0.638 208 H N -0.482 118.292 119.070 -0.493 0.000 2.717 208 H HA 0.759 5.314 4.556 -0.001 0.000 0.366 208 H C -0.354 174.870 175.328 -0.174 0.000 1.132 208 H CA 0.019 55.965 56.048 -0.170 0.000 1.180 208 H CB 2.077 31.899 29.762 0.100 0.000 1.678 208 H HN 0.680 nan 8.280 nan 0.000 0.537 209 S N 2.230 118.074 115.700 0.241 0.000 2.503 209 S HA 0.262 4.732 4.470 -0.001 0.000 0.301 209 S C -1.831 172.792 174.600 0.038 0.000 1.087 209 S CA -1.807 56.542 58.200 0.248 0.000 1.042 209 S CB 1.318 64.703 63.200 0.307 0.000 1.043 209 S HN 0.426 nan 8.310 nan 0.000 0.489 210 P HA 0.016 nan 4.420 nan 0.000 0.234 210 P C 1.074 178.130 177.300 -0.408 0.000 1.167 210 P CA 0.778 63.494 63.100 -0.639 0.000 0.763 210 P CB -0.280 31.196 31.700 -0.374 0.000 0.835 211 T N -0.366 114.077 114.554 -0.184 0.000 2.881 211 T HA -0.077 4.272 4.350 -0.001 0.000 0.270 211 T C 1.790 176.443 174.700 -0.078 0.000 1.068 211 T CA 1.125 63.154 62.100 -0.118 0.000 1.131 211 T CB -0.384 68.450 68.868 -0.057 0.000 0.871 211 T HN -0.006 nan 8.240 nan 0.000 0.479 212 M N 1.015 120.530 119.600 -0.142 0.000 2.059 212 M HA 0.004 4.484 4.480 -0.001 0.000 0.259 212 M C -0.626 175.539 176.300 -0.226 0.000 1.072 212 M CA 1.248 56.462 55.300 -0.144 0.000 1.117 212 M CB -2.514 30.026 32.600 -0.100 0.000 1.320 212 M HN 0.123 nan 8.290 nan 0.000 0.408 213 P HA -0.196 nan 4.420 nan 0.000 0.218 213 P C 1.676 178.851 177.300 -0.208 0.000 1.149 213 P CA 1.395 64.304 63.100 -0.319 0.000 0.817 213 P CB -0.442 30.970 31.700 -0.480 0.000 0.785 214 Y N 1.126 121.241 120.300 -0.308 0.000 2.081 214 Y HA -0.223 4.327 4.550 -0.001 0.000 0.280 214 Y C 2.403 178.219 175.900 -0.140 0.000 1.163 214 Y CA 1.782 59.763 58.100 -0.198 0.000 1.135 214 Y CB -0.953 37.404 38.460 -0.171 0.000 0.970 214 Y HN -0.231 nan 8.280 nan 0.000 0.498 215 I N -0.479 120.116 120.570 0.042 0.000 2.286 215 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 215 I C 2.260 178.311 176.117 -0.110 0.000 1.104 215 I CA 1.091 62.385 61.300 -0.010 0.000 1.397 215 I CB -0.398 37.651 38.000 0.081 0.000 1.072 215 I HN 0.266 nan 8.210 nan 0.000 0.417 216 L N 0.124 121.228 121.223 -0.198 0.000 2.017 216 L HA -0.232 4.108 4.340 -0.001 0.000 0.208 216 L C 2.690 179.543 176.870 -0.028 0.000 1.073 216 L CA 1.270 55.925 54.840 -0.309 0.000 0.745 216 L CB -0.734 40.953 42.059 -0.619 0.000 0.894 216 L HN 0.341 nan 8.230 nan 0.000 0.432 217 Q N 1.092 120.842 119.800 -0.083 0.000 2.224 217 Q HA -0.184 4.155 4.340 -0.001 0.000 0.203 217 Q C 1.698 177.660 176.000 -0.062 0.000 0.970 217 Q CA 1.447 57.224 55.803 -0.044 0.000 0.865 217 Q CB 0.130 28.809 28.738 -0.099 0.000 0.922 217 Q HN 0.468 nan 8.270 nan 0.000 0.445 218 K N -0.440 119.884 120.400 -0.127 0.000 2.444 218 K HA 0.107 4.426 4.320 -0.001 0.000 0.193 218 K C 0.719 177.287 176.600 -0.052 0.000 1.024 218 K CA 0.173 56.381 56.287 -0.132 0.000 1.077 218 K CB 0.504 32.857 32.500 -0.244 0.000 0.833 218 K HN -0.061 nan 8.250 nan 0.000 0.517 219 S N -0.264 115.459 115.700 0.038 0.000 2.664 219 S HA 0.202 4.672 4.470 -0.001 0.000 0.245 219 S C 0.786 175.490 174.600 0.173 0.000 1.019 219 S CA 0.109 58.380 58.200 0.117 0.000 0.996 219 S CB 1.288 64.602 63.200 0.190 0.000 0.878 219 S HN 0.519 nan 8.310 nan 0.000 0.493 220 G N 1.194 110.049 108.800 0.092 0.000 2.175 220 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.244 220 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.244 220 G C -0.026 174.849 174.900 -0.041 0.000 0.982 220 G CA -0.462 44.633 45.100 -0.009 0.000 0.641 220 G HN 0.429 nan 8.290 nan 0.000 0.527 221 F N 0.329 120.238 119.950 -0.067 0.000 2.450 221 F HA 0.594 5.120 4.527 -0.001 0.000 0.339 221 F C 1.570 177.312 175.800 -0.098 0.000 1.146 221 F CA 0.026 57.981 58.000 -0.074 0.000 1.267 221 F CB 0.939 39.899 39.000 -0.067 0.000 1.178 221 F HN -0.193 nan 8.300 nan 0.000 0.585 222 K N 0.663 121.083 120.400 0.032 0.000 2.464 222 K HA 0.254 4.574 4.320 -0.001 0.000 0.206 222 K C -0.443 176.098 176.600 -0.098 0.000 1.186 222 K CA 0.252 56.499 56.287 -0.066 0.000 0.990 222 K CB 0.329 32.742 32.500 -0.145 0.000 1.003 222 K HN 0.529 nan 8.250 nan 0.000 0.562 223 N N 0.736 119.357 118.700 -0.131 0.000 2.484 223 N HA 0.389 5.129 4.740 -0.001 0.000 0.269 223 N C -0.921 174.425 175.510 -0.273 0.000 1.237 223 N CA -0.395 52.409 53.050 -0.410 0.000 0.838 223 N CB 2.515 40.204 38.487 -1.329 0.000 1.593 223 N HN -0.077 nan 8.380 nan 0.000 0.485 224 M N -0.361 119.094 119.600 -0.242 0.000 2.569 224 M HA 0.646 5.125 4.480 -0.001 0.000 0.279 224 M C -1.940 174.417 176.300 0.095 0.000 1.253 224 M CA -0.949 54.337 55.300 -0.023 0.000 0.867 224 M CB 2.927 35.508 32.600 -0.033 0.000 1.727 224 M HN 0.469 nan 8.290 nan 0.000 0.467 225 L N 3.416 124.712 121.223 0.121 0.000 2.408 225 L HA 0.871 5.211 4.340 -0.001 0.000 0.268 225 L C -1.486 175.263 176.870 -0.202 0.000 0.986 225 L CA -0.741 54.128 54.840 0.048 0.000 0.820 225 L CB 2.052 44.179 42.059 0.114 0.000 1.303 225 L HN 0.950 nan 8.230 nan 0.000 0.411 226 I N 0.918 121.283 120.570 -0.341 0.000 3.042 226 I HA 0.621 4.790 4.170 -0.001 0.000 0.310 226 I C -0.729 175.092 176.117 -0.493 0.000 1.117 226 I CA -0.562 60.353 61.300 -0.642 0.000 1.003 226 I CB 2.248 39.571 38.000 -1.127 0.000 1.228 226 I HN 0.737 nan 8.210 nan 0.000 0.443 227 Q N 2.028 121.602 119.800 -0.375 0.000 2.546 227 Q HA 0.334 4.673 4.340 -0.001 0.000 0.226 227 Q C 0.022 175.920 176.000 -0.170 0.000 0.769 227 Q CA 0.429 56.087 55.803 -0.242 0.000 0.954 227 Q CB 0.611 29.198 28.738 -0.252 0.000 1.319 227 Q HN 0.657 nan 8.270 nan 0.000 0.534 228 R N 2.087 122.507 120.500 -0.133 0.000 2.608 228 R HA 0.337 4.676 4.340 -0.001 0.000 0.277 228 R C -0.687 175.369 176.300 -0.408 0.000 1.341 228 R CA 0.558 56.330 56.100 -0.547 0.000 1.199 228 R CB 0.207 29.828 30.300 -1.132 0.000 1.156 228 R HN 0.402 nan 8.270 nan 0.000 0.558 229 T N -2.479 112.060 114.554 -0.024 0.000 2.924 229 T HA 0.141 4.490 4.350 -0.001 0.000 0.291 229 T C 0.031 174.989 174.700 0.430 0.000 1.045 229 T CA -0.883 61.326 62.100 0.182 0.000 1.015 229 T CB 1.794 70.607 68.868 -0.093 0.000 1.103 229 T HN 0.412 nan 8.240 nan 0.000 0.496 230 H N 1.899 121.184 119.070 0.358 0.000 3.115 230 H HA -0.051 4.505 4.556 -0.001 0.000 0.324 230 H C 1.025 176.408 175.328 0.093 0.000 1.007 230 H CA 0.624 56.776 56.048 0.173 0.000 1.385 230 H CB 0.363 30.254 29.762 0.215 0.000 1.351 230 H HN 0.933 nan 8.280 nan 0.000 0.592 231 Y N 2.211 122.599 120.300 0.147 0.000 2.315 231 Y HA -0.150 4.400 4.550 -0.001 0.000 0.288 231 Y C 2.199 178.268 175.900 0.281 0.000 1.154 231 Y CA 0.897 59.121 58.100 0.207 0.000 1.229 231 Y CB -0.591 37.928 38.460 0.098 0.000 0.980 231 Y HN 0.286 nan 8.280 nan 0.000 0.540 232 S N 0.325 116.066 115.700 0.069 0.000 2.406 232 S HA -0.112 4.357 4.470 -0.001 0.000 0.228 232 S C 2.066 176.600 174.600 -0.111 0.000 1.020 232 S CA 1.173 59.314 58.200 -0.098 0.000 0.965 232 S CB -0.522 62.402 63.200 -0.461 0.000 0.798 232 S HN 0.375 nan 8.310 nan 0.000 0.488 233 V N 1.948 121.862 119.914 0.000 0.000 2.358 233 V HA -0.150 3.969 4.120 -0.001 0.000 0.246 233 V C 2.208 178.346 176.094 0.073 0.000 1.047 233 V CA 1.532 63.857 62.300 0.042 0.000 1.035 233 V CB -0.499 31.450 31.823 0.210 0.000 0.658 233 V HN 0.408 nan 8.190 nan 0.000 0.452 234 K N 0.202 120.686 120.400 0.139 0.000 2.063 234 K HA -0.251 4.069 4.320 -0.001 0.000 0.208 234 K C 2.268 179.001 176.600 0.221 0.000 1.048 234 K CA 1.810 58.194 56.287 0.162 0.000 0.928 234 K CB -0.226 32.425 32.500 0.251 0.000 0.713 234 K HN 0.358 nan 8.250 nan 0.000 0.442 235 K N 1.164 121.693 120.400 0.215 0.000 2.057 235 K HA -0.215 4.105 4.320 -0.001 0.000 0.206 235 K C 2.118 178.817 176.600 0.166 0.000 1.050 235 K CA 1.607 58.029 56.287 0.226 0.000 0.935 235 K CB 0.074 32.634 32.500 0.101 0.000 0.715 235 K HN -0.030 nan 8.250 nan 0.000 0.439 236 E N 0.920 121.139 120.200 0.032 0.000 2.051 236 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 236 E C 1.927 178.526 176.600 -0.003 0.000 0.991 236 E CA 1.428 57.805 56.400 -0.039 0.000 0.799 236 E CB -0.180 29.449 29.700 -0.119 0.000 0.748 236 E HN 0.339 nan 8.360 nan 0.000 0.449 237 L N -0.193 121.039 121.223 0.014 0.000 2.093 237 L HA -0.064 4.275 4.340 -0.001 0.000 0.208 237 L C 2.516 179.411 176.870 0.042 0.000 1.085 237 L CA 0.904 55.746 54.840 0.002 0.000 0.755 237 L CB -0.590 41.453 42.059 -0.026 0.000 0.904 237 L HN 0.209 nan 8.230 nan 0.000 0.435 238 A N -0.244 122.653 122.820 0.130 0.000 1.908 238 A HA -0.262 4.058 4.320 -0.001 0.000 0.218 238 A C 2.221 180.000 177.584 0.324 0.000 1.181 238 A CA 1.591 53.764 52.037 0.228 0.000 0.627 238 A CB -0.472 18.812 19.000 0.474 0.000 0.818 238 A HN 0.470 nan 8.150 nan 0.000 0.445 239 Q N -1.048 118.897 119.800 0.242 0.000 2.226 239 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 239 Q C 1.417 177.414 176.000 -0.006 0.000 0.975 239 Q CA 1.225 57.017 55.803 -0.018 0.000 0.866 239 Q CB -0.012 28.572 28.738 -0.257 0.000 0.915 239 Q HN 0.615 nan 8.270 nan 0.000 0.440 240 Q N -0.205 119.603 119.800 0.013 0.000 2.282 240 Q HA 0.133 4.472 4.340 -0.001 0.000 0.206 240 Q C -0.396 175.624 176.000 0.032 0.000 0.878 240 Q CA -0.014 55.791 55.803 0.005 0.000 0.944 240 Q CB 0.689 29.419 28.738 -0.014 0.000 1.100 240 Q HN 0.277 nan 8.270 nan 0.000 0.509 241 R N 0.853 121.379 120.500 0.043 0.000 3.333 241 R HA -0.207 4.132 4.340 -0.001 0.000 0.256 241 R C -0.152 176.184 176.300 0.060 0.000 1.010 241 R CA 0.463 56.579 56.100 0.027 0.000 0.680 241 R CB -1.909 28.431 30.300 0.067 0.000 1.102 241 R HN 0.389 nan 8.270 nan 0.000 0.440 242 Q N 0.083 119.906 119.800 0.039 0.000 2.186 242 Q HA 0.195 4.534 4.340 -0.001 0.000 0.241 242 Q C 1.171 177.252 176.000 0.135 0.000 0.849 242 Q CA -0.226 55.634 55.803 0.094 0.000 1.053 242 Q CB 0.544 29.302 28.738 0.032 0.000 1.146 242 Q HN 0.440 nan 8.270 nan 0.000 0.475 243 L N -0.001 121.241 121.223 0.031 0.000 2.418 243 L HA 0.066 4.406 4.340 -0.001 0.000 0.218 243 L C 0.331 177.198 176.870 -0.005 0.000 1.125 243 L CA 0.892 55.722 54.840 -0.016 0.000 0.835 243 L CB 0.335 42.201 42.059 -0.321 0.000 0.953 243 L HN 0.178 nan 8.230 nan 0.000 0.454 244 E N 0.324 120.560 120.200 0.060 0.000 2.158 244 E HA 0.516 4.866 4.350 -0.001 0.000 0.271 244 E C -1.230 175.283 176.600 -0.146 0.000 0.911 244 E CA -0.532 55.701 56.400 -0.278 0.000 0.767 244 E CB 1.496 31.155 29.700 -0.069 0.000 1.120 244 E HN 0.001 nan 8.360 nan 0.000 0.405 245 F N -0.209 119.478 119.950 -0.440 0.000 2.668 245 F HA 0.481 5.007 4.527 -0.001 0.000 0.309 245 F C -1.494 174.194 175.800 -0.186 0.000 1.117 245 F CA -1.404 56.486 58.000 -0.183 0.000 0.951 245 F CB 0.789 39.717 39.000 -0.120 0.000 1.323 245 F HN 0.155 nan 8.300 nan 0.000 0.451 246 L N 2.680 124.058 121.223 0.258 0.000 2.268 246 L HA 0.188 4.527 4.340 -0.001 0.000 0.289 246 L C -1.093 176.005 176.870 0.381 0.000 1.064 246 L CA -0.245 54.743 54.840 0.247 0.000 0.824 246 L CB 0.547 42.755 42.059 0.250 0.000 1.202 246 L HN 0.596 nan 8.230 nan 0.000 0.433 247 W N 6.803 128.207 121.300 0.174 0.000 2.342 247 W HA 0.354 5.013 4.660 -0.001 0.000 0.310 247 W C 0.177 176.722 176.519 0.044 0.000 1.128 247 W CA -1.289 56.179 57.345 0.204 0.000 1.322 247 W CB 0.519 30.137 29.460 0.264 0.000 1.251 247 W HN 0.513 nan 8.180 nan 0.000 0.439 248 R N 3.757 124.434 120.500 0.295 0.000 2.828 248 R HA 0.540 4.879 4.340 -0.001 0.000 0.264 248 R C -0.077 176.129 176.300 -0.158 0.000 1.022 248 R CA -0.917 55.181 56.100 -0.003 0.000 1.021 248 R CB 1.093 31.373 30.300 -0.034 0.000 1.163 248 R HN 0.241 nan 8.270 nan 0.000 0.494 249 Q N 1.353 120.907 119.800 -0.411 0.000 2.421 249 Q HA 0.047 4.386 4.340 -0.001 0.000 0.255 249 Q C 1.475 177.058 176.000 -0.694 0.000 1.013 249 Q CA 0.138 55.486 55.803 -0.758 0.000 0.895 249 Q CB 0.747 28.601 28.738 -1.475 0.000 1.271 249 Q HN 0.844 nan 8.270 nan 0.000 0.460 250 I N -2.085 118.175 120.570 -0.517 0.000 2.454 250 I HA -0.155 4.014 4.170 -0.001 0.000 0.254 250 I C 1.316 177.361 176.117 -0.120 0.000 1.156 250 I CA 1.292 62.468 61.300 -0.205 0.000 1.433 250 I CB -0.381 37.606 38.000 -0.021 0.000 1.082 250 I HN 0.674 nan 8.210 nan 0.000 0.432 251 W N 1.358 122.718 121.300 0.100 0.000 3.278 251 W HA 0.356 5.016 4.660 -0.001 0.000 0.308 251 W C 0.264 176.860 176.519 0.129 0.000 1.253 251 W CA -0.642 56.824 57.345 0.201 0.000 1.759 251 W CB -0.691 28.979 29.460 0.351 0.000 1.093 251 W HN -0.063 nan 8.180 nan 0.000 0.648 252 D N 1.751 121.905 120.400 -0.411 0.000 2.393 252 D HA -0.007 4.632 4.640 -0.001 0.000 0.232 252 D C 0.972 177.247 176.300 -0.042 0.000 1.192 252 D CA 0.222 54.102 54.000 -0.200 0.000 0.882 252 D CB 0.182 40.766 40.800 -0.360 0.000 1.038 252 D HN 0.029 nan 8.370 nan 0.000 0.499 253 N N 3.348 122.086 118.700 0.063 0.000 2.250 253 N HA -0.109 4.630 4.740 -0.001 0.000 0.181 253 N C 1.331 176.861 175.510 0.033 0.000 1.017 253 N CA 0.573 53.651 53.050 0.047 0.000 0.866 253 N CB 0.274 38.808 38.487 0.079 0.000 0.985 253 N HN 0.422 nan 8.380 nan 0.000 0.429 254 K N -0.266 120.159 120.400 0.041 0.000 2.076 254 K HA -0.028 4.292 4.320 -0.001 0.000 0.204 254 K C 0.800 177.414 176.600 0.023 0.000 1.051 254 K CA 1.205 57.513 56.287 0.035 0.000 0.949 254 K CB 0.108 32.633 32.500 0.042 0.000 0.726 254 K HN 0.223 nan 8.250 nan 0.000 0.443 255 G N 0.806 109.612 108.800 0.010 0.000 2.148 255 G HA2 -0.161 3.798 3.960 -0.001 0.000 0.203 255 G HA3 -0.161 3.798 3.960 -0.001 0.000 0.203 255 G C 0.130 175.033 174.900 0.004 0.000 0.993 255 G CA 0.329 45.431 45.100 0.005 0.000 0.661 255 G HN 0.351 nan 8.290 nan 0.000 0.518 256 D N 0.621 121.024 120.400 0.005 0.000 2.312 256 D HA -0.008 4.631 4.640 -0.001 0.000 0.211 256 D C 2.593 178.880 176.300 -0.021 0.000 0.964 256 D CA 1.695 55.696 54.000 0.001 0.000 0.877 256 D CB -0.166 40.642 40.800 0.012 0.000 0.924 256 D HN 0.656 nan 8.370 nan 0.000 0.515 257 T N -2.060 112.471 114.554 -0.039 0.000 3.113 257 T HA 0.291 4.640 4.350 -0.001 0.000 0.256 257 T C 0.991 175.650 174.700 -0.068 0.000 1.131 257 T CA -0.057 61.997 62.100 -0.076 0.000 1.074 257 T CB 0.016 68.818 68.868 -0.110 0.000 0.944 257 T HN 0.052 nan 8.240 nan 0.000 0.516 258 A N 1.353 124.159 122.820 -0.022 0.000 2.498 258 A HA 0.567 4.886 4.320 -0.001 0.000 0.239 258 A C -0.289 177.314 177.584 0.032 0.000 1.068 258 A CA -0.371 51.682 52.037 0.028 0.000 0.766 258 A CB -0.061 18.984 19.000 0.075 0.000 1.003 258 A HN 0.544 nan 8.150 nan 0.000 0.497 259 L N 2.391 123.653 121.223 0.066 0.000 2.409 259 L HA 0.567 4.906 4.340 -0.001 0.000 0.272 259 L C -0.667 176.262 176.870 0.099 0.000 0.980 259 L CA -0.551 54.323 54.840 0.058 0.000 0.826 259 L CB 1.476 43.533 42.059 -0.004 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.759 123.671 119.950 -0.065 0.000 2.578 260 F HA 0.383 4.909 4.527 -0.001 0.000 0.381 260 F C 0.039 175.720 175.800 -0.197 0.000 1.069 260 F CA 0.819 58.747 58.000 -0.120 0.000 1.231 260 F CB 0.427 39.377 39.000 -0.084 0.000 1.086 260 F HN 0.561 nan 8.300 nan 0.000 0.564 261 T N 5.340 119.306 114.554 -0.980 0.000 2.886 261 T HA 0.204 4.554 4.350 -0.001 0.000 0.292 261 T C -1.621 172.463 174.700 -1.027 0.000 1.012 261 T CA -0.494 61.126 62.100 -0.800 0.000 0.982 261 T CB 0.929 69.320 68.868 -0.795 0.000 1.018 261 T HN 0.615 nan 8.240 nan 0.000 0.451 262 H N 2.786 121.553 119.070 -0.505 0.000 2.511 262 H HA 0.629 5.184 4.556 -0.001 0.000 0.328 262 H C -0.391 174.747 175.328 -0.316 0.000 1.044 262 H CA -0.768 55.089 56.048 -0.319 0.000 1.212 262 H CB 0.780 30.570 29.762 0.046 0.000 1.428 262 H HN 0.483 nan 8.280 nan 0.000 0.483 263 M N 6.950 126.239 119.600 -0.519 0.000 2.113 263 M HA 0.291 4.770 4.480 -0.001 0.000 0.352 263 M C -0.924 175.135 176.300 -0.402 0.000 1.170 263 M CA -0.587 54.476 55.300 -0.395 0.000 1.053 263 M CB 0.659 33.081 32.600 -0.297 0.000 1.601 263 M HN 0.672 nan 8.290 nan 0.000 0.459 264 M N 6.902 126.357 119.600 -0.241 0.000 2.243 264 M HA 0.196 4.675 4.480 -0.001 0.000 0.341 264 M C -1.632 174.529 176.300 -0.232 0.000 1.130 264 M CA -1.239 53.960 55.300 -0.167 0.000 1.162 264 M CB 0.350 32.873 32.600 -0.130 0.000 1.497 264 M HN 0.470 nan 8.290 nan 0.000 0.456 265 P HA 0.133 nan 4.420 nan 0.000 0.252 265 P C -0.431 176.658 177.300 -0.351 0.000 1.218 265 P CA 0.806 63.592 63.100 -0.523 0.000 0.807 265 P CB 0.340 31.415 31.700 -1.042 0.000 1.072 266 F N -1.937 118.015 119.950 0.003 0.000 2.671 266 F HA 0.309 4.835 4.527 -0.001 0.000 0.373 266 F C 1.936 177.816 175.800 0.133 0.000 1.122 266 F CA -1.454 56.581 58.000 0.057 0.000 1.082 266 F CB -0.792 38.178 39.000 -0.049 0.000 1.399 266 F HN -0.329 nan 8.300 nan 0.000 0.509 267 Y N 0.012 120.451 120.300 0.232 0.000 2.373 267 Y HA 0.139 4.688 4.550 -0.001 0.000 0.293 267 Y C 0.910 176.720 175.900 -0.150 0.000 1.129 267 Y CA 1.349 59.441 58.100 -0.014 0.000 1.226 267 Y CB 0.106 38.455 38.460 -0.184 0.000 1.000 267 Y HN 0.365 nan 8.280 nan 0.000 0.549 268 S N -1.806 113.751 115.700 -0.237 0.000 2.651 268 S HA 0.251 4.720 4.470 -0.001 0.000 0.279 268 S C -0.380 174.139 174.600 -0.135 0.000 1.148 268 S CA -0.376 57.585 58.200 -0.397 0.000 0.837 268 S CB 0.308 63.223 63.200 -0.476 0.000 1.138 268 S HN 0.286 nan 8.310 nan 0.000 0.478 269 Y N 0.746 121.007 120.300 -0.065 0.000 2.466 269 Y HA 0.325 4.874 4.550 -0.001 0.000 0.272 269 Y C 0.385 176.374 175.900 0.147 0.000 1.169 269 Y CA -0.617 57.474 58.100 -0.015 0.000 1.285 269 Y CB -0.997 37.367 38.460 -0.161 0.000 1.078 269 Y HN 0.525 nan 8.280 nan 0.000 0.523 270 D N 0.532 120.943 120.400 0.018 0.000 2.377 270 D HA 0.008 4.647 4.640 -0.001 0.000 0.245 270 D C 1.200 177.629 176.300 0.214 0.000 1.196 270 D CA -0.475 53.627 54.000 0.171 0.000 0.962 270 D CB 0.845 41.705 40.800 0.100 0.000 1.127 270 D HN 0.238 nan 8.370 nan 0.000 0.471 271 I N -0.268 120.405 120.570 0.171 0.000 2.226 271 I HA -0.142 4.028 4.170 -0.001 0.000 0.245 271 I C -0.772 175.376 176.117 0.052 0.000 1.100 271 I CA 0.810 62.194 61.300 0.140 0.000 1.374 271 I CB -1.130 36.942 38.000 0.120 0.000 1.057 271 I HN 0.342 nan 8.210 nan 0.000 0.413 272 P HA -0.158 nan 4.420 nan 0.000 0.221 272 P C 0.584 177.558 177.300 -0.543 0.000 1.145 272 P CA 1.615 64.512 63.100 -0.338 0.000 0.795 272 P CB -0.105 31.367 31.700 -0.380 0.000 0.775 273 H N -3.148 115.914 119.070 -0.014 0.000 2.528 273 H HA 0.212 4.767 4.556 -0.001 0.000 0.282 273 H C 0.976 176.404 175.328 0.166 0.000 1.097 273 H CA 0.593 56.649 56.048 0.014 0.000 1.121 273 H CB -0.123 29.714 29.762 0.126 0.000 1.590 273 H HN 0.105 nan 8.280 nan 0.000 0.553 274 T N -4.165 110.505 114.554 0.194 0.000 2.986 274 T HA -0.032 4.317 4.350 -0.001 0.000 0.264 274 T C 1.836 176.660 174.700 0.207 0.000 0.964 274 T CA 0.373 62.615 62.100 0.237 0.000 0.895 274 T CB -0.675 68.323 68.868 0.216 0.000 1.163 274 T HN 0.497 nan 8.240 nan 0.000 0.517 275 c N 1.720 120.413 118.600 0.155 0.000 2.495 275 c HA 0.691 5.260 4.570 -0.001 0.000 0.275 275 c C 1.346 175.557 174.090 0.201 0.000 1.392 275 c CA 0.406 56.866 56.329 0.218 0.000 1.766 275 c CB -1.241 41.363 42.510 0.157 0.000 1.933 275 c HN 0.898 nan 8.230 nan 0.000 0.519 276 G N -0.426 108.410 108.800 0.061 0.000 2.324 276 G HA2 0.368 4.327 3.960 -0.001 0.000 0.293 276 G HA3 0.368 4.327 3.960 -0.001 0.000 0.293 276 G C -2.749 171.742 174.900 -0.681 0.000 1.297 276 G CA 0.220 45.281 45.100 -0.066 0.000 0.853 276 G HN -0.099 nan 8.290 nan 0.000 0.535 277 P HA 0.108 nan 4.420 nan 0.000 0.231 277 P C -0.125 176.757 177.300 -0.697 0.000 1.168 277 P CA 0.957 63.345 63.100 -1.186 0.000 0.779 277 P CB 0.392 31.732 31.700 -0.600 0.000 0.844 278 D N 1.031 121.141 120.400 -0.484 0.000 2.454 278 D HA 0.143 4.782 4.640 -0.001 0.000 0.225 278 D C -1.513 174.452 176.300 -0.557 0.000 1.081 278 D CA -2.584 51.174 54.000 -0.404 0.000 0.864 278 D CB 1.320 41.967 40.800 -0.254 0.000 1.040 278 D HN -0.003 nan 8.370 nan 0.000 0.517 279 P HA -0.119 nan 4.420 nan 0.000 0.223 279 P C 1.239 177.734 177.300 -1.342 0.000 1.151 279 P CA 0.610 62.969 63.100 -1.236 0.000 0.787 279 P CB 0.474 31.131 31.700 -1.737 0.000 0.788 280 K N 0.390 120.140 120.400 -1.084 0.000 2.147 280 K HA -0.079 4.241 4.320 -0.001 0.000 0.205 280 K C 1.743 178.169 176.600 -0.290 0.000 1.049 280 K CA 1.174 57.140 56.287 -0.535 0.000 0.936 280 K CB -0.242 32.134 32.500 -0.207 0.000 0.722 280 K HN -0.063 nan 8.250 nan 0.000 0.446 281 V N 0.265 120.013 119.914 -0.277 0.000 2.379 281 V HA -0.226 3.893 4.120 -0.001 0.000 0.243 281 V C 2.395 178.459 176.094 -0.051 0.000 1.035 281 V CA 1.342 63.570 62.300 -0.119 0.000 1.035 281 V CB -0.295 31.475 31.823 -0.088 0.000 0.673 281 V HN 0.471 nan 8.190 nan 0.000 0.457 282 c N -0.763 117.728 118.600 -0.183 0.000 2.422 282 c HA -0.182 4.387 4.570 -0.001 0.000 0.279 282 c C 2.979 177.030 174.090 -0.066 0.000 1.305 282 c CA 0.768 57.050 56.329 -0.078 0.000 1.757 282 c CB -1.428 40.955 42.510 -0.212 0.000 1.962 282 c HN 0.751 nan 8.230 nan 0.000 0.499 283 c N 0.809 119.278 118.600 -0.219 0.000 2.410 283 c HA -0.144 4.425 4.570 -0.001 0.000 0.281 283 c C 2.576 176.553 174.090 -0.188 0.000 1.318 283 c CA 1.210 57.461 56.329 -0.129 0.000 1.776 283 c CB -1.484 41.023 42.510 -0.006 0.000 1.942 283 c HN 0.635 nan 8.230 nan 0.000 0.508 284 Q N -1.410 118.224 119.800 -0.277 0.000 2.515 284 Q HA -0.003 4.336 4.340 -0.001 0.000 0.212 284 Q C 0.591 175.914 176.000 -1.128 0.000 0.970 284 Q CA 0.939 56.387 55.803 -0.591 0.000 0.941 284 Q CB 0.010 28.382 28.738 -0.611 0.000 0.998 284 Q HN 0.748 nan 8.270 nan 0.000 0.518 285 F N -0.462 119.195 119.950 -0.488 0.000 2.698 285 F HA 0.172 4.698 4.527 -0.001 0.000 0.304 285 F C 0.199 175.722 175.800 -0.462 0.000 1.108 285 F CA -0.617 56.995 58.000 -0.646 0.000 1.263 285 F CB 0.801 39.670 39.000 -0.217 0.000 1.013 285 F HN -0.150 nan 8.300 nan 0.000 0.532 286 D N 0.167 120.350 120.400 -0.361 0.000 2.485 286 D HA 0.139 4.778 4.640 -0.001 0.000 0.221 286 D C 0.509 176.632 176.300 -0.295 0.000 1.112 286 D CA -0.333 53.563 54.000 -0.174 0.000 0.911 286 D CB 0.109 40.864 40.800 -0.075 0.000 1.019 286 D HN 0.087 nan 8.370 nan 0.000 0.516 287 F N 1.752 121.714 119.950 0.020 0.000 2.771 287 F HA 0.089 4.615 4.527 -0.001 0.000 0.299 287 F C 2.324 178.088 175.800 -0.062 0.000 1.177 287 F CA 0.300 58.288 58.000 -0.021 0.000 1.450 287 F CB 0.047 39.054 39.000 0.011 0.000 1.114 287 F HN 0.261 nan 8.300 nan 0.000 0.587 288 K N 0.691 121.043 120.400 -0.079 0.000 2.525 288 K HA 0.038 4.357 4.320 -0.001 0.000 0.192 288 K C 1.127 177.712 176.600 -0.024 0.000 1.029 288 K CA 0.319 56.439 56.287 -0.278 0.000 1.029 288 K CB 0.105 32.286 32.500 -0.532 0.000 0.814 288 K HN 0.197 nan 8.250 nan 0.000 0.503 289 R N -0.074 120.428 120.500 0.004 0.000 2.586 289 R HA 0.202 4.541 4.340 -0.001 0.000 0.306 289 R C 0.848 177.180 176.300 0.053 0.000 1.079 289 R CA -0.153 55.967 56.100 0.033 0.000 1.083 289 R CB 0.257 30.553 30.300 -0.007 0.000 1.306 289 R HN 0.172 nan 8.270 nan 0.000 0.567 290 M N -1.060 118.606 119.600 0.111 0.000 2.495 290 M HA 0.183 4.662 4.480 -0.001 0.000 0.237 290 M C 1.106 177.447 176.300 0.067 0.000 1.131 290 M CA 0.627 55.974 55.300 0.078 0.000 1.032 290 M CB 1.048 33.705 32.600 0.094 0.000 1.513 290 M HN 0.481 nan 8.290 nan 0.000 0.488 291 G N -0.197 108.658 108.800 0.092 0.000 3.465 291 G HA2 -0.233 3.727 3.960 -0.001 0.000 0.196 291 G HA3 -0.233 3.727 3.960 -0.001 0.000 0.196 291 G C 0.976 175.880 174.900 0.006 0.000 1.170 291 G CA 0.229 45.354 45.100 0.041 0.000 0.887 291 G HN 0.403 nan 8.290 nan 0.000 0.444 292 S N 0.227 115.886 115.700 -0.069 0.000 2.474 292 S HA 0.223 4.692 4.470 -0.001 0.000 0.235 292 S C 1.637 176.027 174.600 -0.348 0.000 0.997 292 S CA 1.428 59.480 58.200 -0.246 0.000 0.949 292 S CB -0.406 62.560 63.200 -0.390 0.000 0.766 292 S HN 0.343 nan 8.310 nan 0.000 0.517 293 F N 1.814 121.761 119.950 -0.005 0.000 2.693 293 F HA 0.448 4.974 4.527 -0.001 0.000 0.303 293 F C 1.795 177.593 175.800 -0.003 0.000 1.097 293 F CA -0.256 57.740 58.000 -0.007 0.000 1.330 293 F CB -0.169 38.824 39.000 -0.012 0.000 1.067 293 F HN 0.329 nan 8.300 nan 0.000 0.565 294 G N 1.414 110.288 108.800 0.123 0.000 2.221 294 G HA2 -0.292 3.668 3.960 -0.001 0.000 0.265 294 G HA3 -0.292 3.668 3.960 -0.001 0.000 0.265 294 G C -0.186 174.768 174.900 0.090 0.000 1.041 294 G CA 0.157 45.305 45.100 0.079 0.000 0.807 294 G HN 0.337 nan 8.290 nan 0.000 0.502 295 L N -0.183 121.106 121.223 0.111 0.000 2.354 295 L HA 0.863 5.202 4.340 -0.001 0.000 0.264 295 L C 0.471 177.378 176.870 0.062 0.000 1.008 295 L CA -0.418 54.471 54.840 0.080 0.000 0.819 295 L CB 2.393 44.498 42.059 0.076 0.000 1.339 295 L HN 0.429 nan 8.230 nan 0.000 0.420 296 S N -0.717 115.006 115.700 0.040 0.000 2.705 296 S HA 0.566 5.036 4.470 -0.001 0.000 0.280 296 S C -1.236 173.382 174.600 0.030 0.000 1.174 296 S CA -0.796 57.419 58.200 0.026 0.000 0.823 296 S CB 1.686 64.890 63.200 0.007 0.000 1.162 296 S HN 0.526 nan 8.310 nan 0.000 0.487 297 c N 2.914 121.535 118.600 0.035 0.000 2.255 297 c HA 0.574 5.143 4.570 -0.001 0.000 0.326 297 c C -1.169 172.920 174.090 -0.001 0.000 1.258 297 c CA -1.178 55.210 56.329 0.098 0.000 1.676 297 c CB 0.899 43.501 42.510 0.153 0.000 2.314 297 c HN 0.764 nan 8.230 nan 0.000 0.509 298 P HA -0.063 nan 4.420 nan 0.000 0.230 298 P C 1.105 178.134 177.300 -0.452 0.000 1.158 298 P CA 1.138 63.987 63.100 -0.419 0.000 0.769 298 P CB 0.085 31.366 31.700 -0.699 0.000 0.807 299 W N 0.688 121.964 121.300 -0.040 0.000 3.180 299 W HA 0.165 4.825 4.660 -0.001 0.000 0.254 299 W C 0.734 177.224 176.519 -0.048 0.000 1.318 299 W CA 0.160 57.476 57.345 -0.048 0.000 1.608 299 W CB -0.414 29.008 29.460 -0.063 0.000 1.124 299 W HN 0.144 nan 8.180 nan 0.000 0.694 300 K N -1.420 119.036 120.400 0.093 0.000 3.548 300 K HA -0.172 4.147 4.320 -0.001 0.000 0.296 300 K C -0.276 176.345 176.600 0.035 0.000 1.324 300 K CA 0.589 56.897 56.287 0.035 0.000 0.976 300 K CB -1.941 30.567 32.500 0.013 0.000 1.294 300 K HN -0.119 nan 8.250 nan 0.000 0.464 301 V N 2.478 122.425 119.914 0.055 0.000 2.334 301 V HA 0.299 4.419 4.120 -0.001 0.000 0.281 301 V C -1.785 174.292 176.094 -0.027 0.000 1.016 301 V CA -1.539 60.762 62.300 0.002 0.000 0.832 301 V CB 1.165 32.980 31.823 -0.014 0.000 0.999 301 V HN -0.032 nan 8.190 nan 0.000 0.439 302 P HA 0.389 nan 4.420 nan 0.000 0.276 302 P C -2.807 174.403 177.300 -0.149 0.000 1.244 302 P CA -2.024 61.034 63.100 -0.070 0.000 0.801 302 P CB 0.268 31.942 31.700 -0.043 0.000 1.006 303 P HA 0.243 nan 4.420 nan 0.000 0.270 303 P C -0.325 176.878 177.300 -0.160 0.000 1.223 303 P CA 0.150 63.051 63.100 -0.331 0.000 0.785 303 P CB 0.543 31.985 31.700 -0.430 0.000 0.923 304 R N 0.306 120.719 120.500 -0.144 0.000 2.621 304 R HA 0.398 4.737 4.340 -0.001 0.000 0.292 304 R C -0.369 175.990 176.300 0.098 0.000 0.969 304 R CA -0.673 55.413 56.100 -0.024 0.000 0.887 304 R CB 1.256 31.519 30.300 -0.062 0.000 1.180 304 R HN 0.354 nan 8.270 nan 0.000 0.450 305 T N 4.029 118.636 114.554 0.088 0.000 2.905 305 T HA 0.005 4.355 4.350 -0.001 0.000 0.299 305 T C 0.809 175.499 174.700 -0.017 0.000 1.024 305 T CA 0.180 62.303 62.100 0.037 0.000 1.151 305 T CB 0.100 68.971 68.868 0.004 0.000 0.987 305 T HN 0.205 nan 8.240 nan 0.000 0.535 306 I N 4.058 124.570 120.570 -0.097 0.000 2.496 306 I HA 0.235 4.404 4.170 -0.001 0.000 0.285 306 I C 1.011 177.078 176.117 -0.083 0.000 1.080 306 I CA 0.095 61.338 61.300 -0.096 0.000 1.404 306 I CB 0.082 37.984 38.000 -0.162 0.000 1.403 306 I HN 0.781 nan 8.210 nan 0.000 0.539 307 S N 3.718 119.381 115.700 -0.062 0.000 2.697 307 S HA 0.434 4.904 4.470 -0.001 0.000 0.289 307 S C 0.392 174.959 174.600 -0.054 0.000 1.149 307 S CA -0.770 57.400 58.200 -0.050 0.000 0.850 307 S CB 2.128 65.306 63.200 -0.036 0.000 1.151 307 S HN 0.495 nan 8.310 nan 0.000 0.491 308 D N 0.880 121.257 120.400 -0.039 0.000 2.158 308 D HA -0.117 4.522 4.640 -0.001 0.000 0.197 308 D C 1.744 178.015 176.300 -0.048 0.000 0.995 308 D CA 1.650 55.627 54.000 -0.038 0.000 0.846 308 D CB -0.267 40.525 40.800 -0.014 0.000 0.941 308 D HN 0.672 nan 8.370 nan 0.000 0.456 309 Q N -0.270 119.508 119.800 -0.037 0.000 2.369 309 Q HA -0.080 4.259 4.340 -0.001 0.000 0.206 309 Q C 1.046 177.021 176.000 -0.042 0.000 0.963 309 Q CA 1.022 56.805 55.803 -0.033 0.000 0.894 309 Q CB 0.054 28.778 28.738 -0.023 0.000 0.965 309 Q HN 0.353 nan 8.270 nan 0.000 0.475 310 N N -1.810 116.857 118.700 -0.055 0.000 2.166 310 N HA -0.044 4.695 4.740 -0.001 0.000 0.213 310 N C 1.122 176.586 175.510 -0.077 0.000 1.222 310 N CA 0.010 53.029 53.050 -0.052 0.000 0.900 310 N CB -0.201 38.263 38.487 -0.039 0.000 1.055 310 N HN -0.019 nan 8.380 nan 0.000 0.515 311 V N 0.532 120.366 119.914 -0.133 0.000 2.490 311 V HA -0.032 4.088 4.120 -0.001 0.000 0.250 311 V C 2.211 178.115 176.094 -0.315 0.000 1.061 311 V CA 2.069 64.246 62.300 -0.206 0.000 1.064 311 V CB -0.820 30.856 31.823 -0.245 0.000 0.670 311 V HN 0.444 nan 8.190 nan 0.000 0.461 312 A N -0.274 122.333 122.820 -0.355 0.000 1.898 312 A HA 0.022 4.341 4.320 -0.001 0.000 0.216 312 A C 2.415 180.043 177.584 0.073 0.000 1.181 312 A CA 1.928 53.872 52.037 -0.156 0.000 0.620 312 A CB -0.925 18.069 19.000 -0.009 0.000 0.819 312 A HN 0.773 nan 8.150 nan 0.000 0.442 313 A N -0.357 122.477 122.820 0.024 0.000 1.898 313 A HA -0.126 4.193 4.320 -0.001 0.000 0.216 313 A C 2.249 179.874 177.584 0.068 0.000 1.181 313 A CA 1.350 53.419 52.037 0.053 0.000 0.620 313 A CB -0.421 18.592 19.000 0.022 0.000 0.819 313 A HN 0.410 nan 8.150 nan 0.000 0.442 314 R N 0.028 120.561 120.500 0.055 0.000 2.075 314 R HA -0.038 4.301 4.340 -0.001 0.000 0.232 314 R C 2.425 178.769 176.300 0.074 0.000 1.126 314 R CA 1.478 57.664 56.100 0.144 0.000 0.963 314 R CB -0.937 29.452 30.300 0.149 0.000 0.858 314 R HN 0.530 nan 8.270 nan 0.000 0.435 315 S N 1.331 117.028 115.700 -0.004 0.000 2.368 315 S HA -0.167 4.303 4.470 -0.001 0.000 0.225 315 S C 1.507 175.984 174.600 -0.205 0.000 1.030 315 S CA 1.579 59.683 58.200 -0.160 0.000 0.999 315 S CB -0.322 62.911 63.200 0.055 0.000 0.844 315 S HN 0.302 nan 8.310 nan 0.000 0.459 316 D N 1.196 121.666 120.400 0.117 0.000 2.104 316 D HA -0.077 4.562 4.640 -0.001 0.000 0.194 316 D C 1.835 178.141 176.300 0.010 0.000 0.994 316 D CA 0.968 55.086 54.000 0.198 0.000 0.830 316 D CB -0.229 40.720 40.800 0.248 0.000 0.959 316 D HN 0.256 nan 8.370 nan 0.000 0.452 317 L N -0.380 120.827 121.223 -0.026 0.000 2.017 317 L HA -0.147 4.193 4.340 -0.001 0.000 0.208 317 L C 2.325 179.024 176.870 -0.286 0.000 1.073 317 L CA 0.568 55.373 54.840 -0.058 0.000 0.745 317 L CB -0.324 41.781 42.059 0.076 0.000 0.894 317 L HN 0.185 nan 8.230 nan 0.000 0.432 318 L N -0.916 119.952 121.223 -0.593 0.000 2.027 318 L HA -0.126 4.214 4.340 -0.001 0.000 0.206 318 L C 2.329 178.511 176.870 -1.146 0.000 1.074 318 L CA 1.556 55.705 54.840 -1.153 0.000 0.745 318 L CB -0.335 40.725 42.059 -1.665 0.000 0.898 318 L HN -0.077 nan 8.230 nan 0.000 0.433 319 V N -0.048 119.330 119.914 -0.895 0.000 2.407 319 V HA -0.304 3.815 4.120 -0.001 0.000 0.248 319 V C 2.297 178.237 176.094 -0.258 0.000 1.055 319 V CA 1.896 63.834 62.300 -0.603 0.000 1.049 319 V CB -0.795 30.690 31.823 -0.564 0.000 0.662 319 V HN 0.583 nan 8.190 nan 0.000 0.455 320 D N -0.750 119.554 120.400 -0.159 0.000 2.123 320 D HA -0.206 4.433 4.640 -0.001 0.000 0.196 320 D C 2.238 178.520 176.300 -0.029 0.000 0.992 320 D CA 1.179 55.192 54.000 0.021 0.000 0.833 320 D CB 0.007 40.875 40.800 0.114 0.000 0.954 320 D HN 0.301 nan 8.370 nan 0.000 0.455 321 Q N -0.536 119.176 119.800 -0.147 0.000 2.050 321 Q HA -0.131 4.209 4.340 -0.001 0.000 0.202 321 Q C 2.145 178.171 176.000 0.043 0.000 0.980 321 Q CA 0.963 56.707 55.803 -0.098 0.000 0.840 321 Q CB -0.599 28.019 28.738 -0.200 0.000 0.898 321 Q HN 0.549 nan 8.270 nan 0.000 0.424 322 W N 1.496 122.700 121.300 -0.160 0.000 2.338 322 W HA -0.106 4.553 4.660 -0.001 0.000 0.304 322 W C 2.072 178.490 176.519 -0.169 0.000 1.212 322 W CA 0.773 58.026 57.345 -0.155 0.000 1.264 322 W CB -0.644 28.697 29.460 -0.197 0.000 1.142 322 W HN 0.212 nan 8.180 nan 0.000 0.512 323 K N 0.087 120.459 120.400 -0.047 0.000 2.155 323 K HA -0.111 4.208 4.320 -0.001 0.000 0.203 323 K C 1.943 178.393 176.600 -0.249 0.000 1.052 323 K CA 1.054 57.166 56.287 -0.292 0.000 0.948 323 K CB -0.162 31.861 32.500 -0.796 0.000 0.728 323 K HN 0.072 nan 8.250 nan 0.000 0.448 324 K N 1.034 121.374 120.400 -0.100 0.000 2.025 324 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 324 K C 2.096 178.772 176.600 0.126 0.000 1.049 324 K CA 1.214 57.573 56.287 0.119 0.000 0.933 324 K CB -0.022 32.564 32.500 0.143 0.000 0.714 324 K HN 0.005 nan 8.250 nan 0.000 0.438 325 K N 0.860 121.340 120.400 0.133 0.000 2.063 325 K HA -0.160 4.159 4.320 -0.001 0.000 0.208 325 K C 2.047 178.776 176.600 0.215 0.000 1.048 325 K CA 1.390 57.786 56.287 0.181 0.000 0.928 325 K CB -0.126 32.498 32.500 0.206 0.000 0.713 325 K HN 0.156 nan 8.250 nan 0.000 0.442 326 A N 1.171 124.099 122.820 0.180 0.000 2.070 326 A HA -0.138 4.181 4.320 -0.001 0.000 0.220 326 A C 1.685 179.442 177.584 0.289 0.000 1.159 326 A CA 1.318 53.498 52.037 0.239 0.000 0.656 326 A CB -0.322 18.779 19.000 0.169 0.000 0.800 326 A HN 0.320 nan 8.150 nan 0.000 0.453 327 E N 0.001 120.345 120.200 0.240 0.000 2.333 327 E HA -0.102 4.247 4.350 -0.001 0.000 0.198 327 E C 1.547 178.275 176.600 0.213 0.000 1.007 327 E CA 0.683 57.233 56.400 0.249 0.000 0.845 327 E CB -0.229 29.644 29.700 0.288 0.000 0.766 327 E HN 0.724 nan 8.360 nan 0.000 0.507 328 L N -0.645 120.659 121.223 0.135 0.000 2.591 328 L HA 0.060 4.399 4.340 -0.001 0.000 0.228 328 L C 0.170 176.831 176.870 -0.347 0.000 1.133 328 L CA 0.200 54.986 54.840 -0.089 0.000 0.880 328 L CB -0.023 41.855 42.059 -0.302 0.000 1.033 328 L HN -0.010 nan 8.230 nan 0.000 0.450 329 Y N -1.606 118.781 120.300 0.145 0.000 2.602 329 Y HA 0.377 4.926 4.550 -0.001 0.000 0.342 329 Y C 1.109 177.128 175.900 0.199 0.000 1.029 329 Y CA -0.986 57.220 58.100 0.177 0.000 1.080 329 Y CB 1.245 39.819 38.460 0.189 0.000 1.284 329 Y HN -0.272 nan 8.280 nan 0.000 0.485 330 R N -0.496 120.244 120.500 0.400 0.000 2.254 330 R HA 0.077 4.416 4.340 -0.001 0.000 0.195 330 R C 0.363 176.794 176.300 0.218 0.000 0.957 330 R CA 0.805 57.049 56.100 0.239 0.000 1.024 330 R CB 0.203 30.573 30.300 0.118 0.000 0.952 330 R HN 0.754 nan 8.270 nan 0.000 0.484 331 T N -0.815 113.912 114.554 0.290 0.000 2.922 331 T HA 0.104 4.453 4.350 -0.001 0.000 0.281 331 T C 0.636 175.484 174.700 0.246 0.000 1.005 331 T CA -0.960 61.278 62.100 0.230 0.000 0.982 331 T CB 1.227 70.209 68.868 0.190 0.000 1.158 331 T HN 0.079 nan 8.240 nan 0.000 0.566 332 N N 0.114 118.930 118.700 0.193 0.000 2.346 332 N HA 0.131 4.870 4.740 -0.001 0.000 0.225 332 N C -0.657 174.824 175.510 -0.048 0.000 1.144 332 N CA -0.351 52.763 53.050 0.107 0.000 0.837 332 N CB -0.195 38.262 38.487 -0.049 0.000 1.069 332 N HN 0.383 nan 8.380 nan 0.000 0.487 333 V N 1.175 121.102 119.914 0.022 0.000 2.448 333 V HA 0.430 4.550 4.120 -0.001 0.000 0.295 333 V C -0.637 175.535 176.094 0.129 0.000 1.025 333 V CA -0.992 61.321 62.300 0.022 0.000 0.859 333 V CB 1.609 33.427 31.823 -0.008 0.000 0.988 333 V HN 0.169 nan 8.190 nan 0.000 0.431 334 L N 5.637 126.882 121.223 0.036 0.000 2.362 334 L HA 0.699 5.038 4.340 -0.001 0.000 0.275 334 L C -0.898 175.845 176.870 -0.213 0.000 0.998 334 L CA -0.494 54.289 54.840 -0.095 0.000 0.820 334 L CB 1.684 43.589 42.059 -0.258 0.000 1.270 334 L HN 0.641 nan 8.230 nan 0.000 0.415 335 L N 6.335 127.224 121.223 -0.556 0.000 2.264 335 L HA 0.560 4.899 4.340 -0.001 0.000 0.289 335 L C -1.031 175.552 176.870 -0.478 0.000 1.044 335 L CA 0.139 54.490 54.840 -0.814 0.000 0.807 335 L CB 0.774 41.869 42.059 -1.606 0.000 1.192 335 L HN 0.445 nan 8.230 nan 0.000 0.425 336 I N 7.469 127.836 120.570 -0.338 0.000 2.502 336 I HA 0.337 4.506 4.170 -0.001 0.000 0.276 336 I C -2.265 173.826 176.117 -0.043 0.000 1.057 336 I CA -2.060 59.131 61.300 -0.180 0.000 1.163 336 I CB 0.978 38.838 38.000 -0.235 0.000 1.288 336 I HN 0.426 nan 8.210 nan 0.000 0.479 337 P HA 0.123 nan 4.420 nan 0.000 0.267 337 P C -0.415 177.061 177.300 0.294 0.000 1.200 337 P CA -0.211 63.022 63.100 0.221 0.000 0.772 337 P CB 0.831 32.704 31.700 0.287 0.000 0.855 338 L N 2.929 124.364 121.223 0.354 0.000 2.454 338 L HA 0.752 5.092 4.340 -0.001 0.000 0.258 338 L C -0.049 176.896 176.870 0.125 0.000 1.025 338 L CA 0.396 55.369 54.840 0.221 0.000 0.901 338 L CB 0.450 42.572 42.059 0.104 0.000 1.210 338 L HN 0.622 nan 8.230 nan 0.000 0.457 339 G N 1.680 110.443 108.800 -0.062 0.000 2.342 339 G HA2 0.475 4.434 3.960 -0.001 0.000 0.297 339 G HA3 0.475 4.434 3.960 -0.001 0.000 0.297 339 G C -2.190 172.604 174.900 -0.177 0.000 1.313 339 G CA -0.265 44.553 45.100 -0.471 0.000 0.830 339 G HN 0.372 nan 8.290 nan 0.000 0.506 340 D N -1.734 118.621 120.400 -0.076 0.000 2.879 340 D HA 0.316 4.955 4.640 -0.001 0.000 0.346 340 D C -1.493 174.942 176.300 0.226 0.000 1.390 340 D CA -0.442 53.698 54.000 0.233 0.000 0.838 340 D CB 1.410 42.297 40.800 0.145 0.000 1.416 340 D HN 0.226 nan 8.370 nan 0.000 0.493 341 D N 0.325 120.922 120.400 0.329 0.000 2.425 341 D HA 0.214 4.853 4.640 -0.001 0.000 0.247 341 D C 0.196 176.643 176.300 0.245 0.000 1.147 341 D CA 0.498 54.669 54.000 0.284 0.000 0.879 341 D CB -0.250 40.827 40.800 0.462 0.000 1.179 341 D HN 0.334 nan 8.370 nan 0.000 0.456 342 F N 0.202 120.210 119.950 0.098 0.000 3.079 342 F HA -0.309 4.218 4.527 -0.001 0.000 0.274 342 F C 1.108 176.944 175.800 0.060 0.000 0.940 342 F CA 0.613 58.649 58.000 0.061 0.000 0.932 342 F CB -0.956 38.068 39.000 0.039 0.000 0.891 342 F HN 0.222 nan 8.300 nan 0.000 0.722 343 R N -0.515 120.065 120.500 0.133 0.000 2.580 343 R HA 0.490 4.829 4.340 -0.001 0.000 0.267 343 R C 0.730 177.048 176.300 0.029 0.000 1.125 343 R CA -0.748 55.317 56.100 -0.058 0.000 1.188 343 R CB -0.079 30.073 30.300 -0.247 0.000 1.155 343 R HN 0.190 nan 8.270 nan 0.000 0.586 344 F N -0.794 118.978 119.950 -0.297 0.000 3.071 344 F HA -0.280 4.246 4.527 -0.001 0.000 0.295 344 F C 1.339 177.084 175.800 -0.092 0.000 0.919 344 F CA 1.011 58.631 58.000 -0.634 0.000 1.050 344 F CB -1.138 37.186 39.000 -1.128 0.000 1.040 344 F HN 0.598 nan 8.300 nan 0.000 0.692 345 K N -0.053 120.390 120.400 0.072 0.000 2.054 345 K HA 0.042 4.361 4.320 -0.001 0.000 0.207 345 K C 0.702 177.449 176.600 0.244 0.000 1.031 345 K CA 0.705 57.116 56.287 0.206 0.000 0.952 345 K CB 0.156 32.748 32.500 0.153 0.000 0.775 345 K HN 0.254 nan 8.250 nan 0.000 0.447 346 Q N 1.104 121.007 119.800 0.171 0.000 2.327 346 Q HA 0.090 4.429 4.340 -0.001 0.000 0.254 346 Q C 0.358 176.533 176.000 0.290 0.000 0.952 346 Q CA 0.224 56.160 55.803 0.222 0.000 0.884 346 Q CB 1.065 29.982 28.738 0.300 0.000 1.224 346 Q HN 0.295 nan 8.270 nan 0.000 0.422 347 N N 0.040 118.905 118.700 0.275 0.000 2.094 347 N HA -0.233 4.506 4.740 -0.001 0.000 0.191 347 N C 1.301 176.969 175.510 0.262 0.000 1.023 347 N CA 1.731 54.962 53.050 0.301 0.000 0.857 347 N CB -0.031 38.645 38.487 0.315 0.000 1.013 347 N HN 0.750 nan 8.380 nan 0.000 0.426 348 T N -1.351 113.362 114.554 0.264 0.000 2.881 348 T HA -0.154 4.195 4.350 -0.001 0.000 0.270 348 T C 1.627 176.518 174.700 0.319 0.000 1.068 348 T CA 1.052 63.326 62.100 0.289 0.000 1.131 348 T CB -0.168 68.863 68.868 0.271 0.000 0.871 348 T HN 0.319 nan 8.240 nan 0.000 0.479 349 E N -0.188 120.138 120.200 0.209 0.000 2.072 349 E HA -0.097 4.252 4.350 -0.001 0.000 0.190 349 E C 1.818 178.325 176.600 -0.155 0.000 0.982 349 E CA 0.690 56.983 56.400 -0.180 0.000 0.803 349 E CB -0.262 29.145 29.700 -0.489 0.000 0.755 349 E HN 0.697 nan 8.360 nan 0.000 0.453 350 W N 1.788 122.988 121.300 -0.167 0.000 2.318 350 W HA -0.205 4.454 4.660 -0.001 0.000 0.313 350 W C 2.118 178.593 176.519 -0.072 0.000 1.221 350 W CA 1.372 58.605 57.345 -0.188 0.000 1.266 350 W CB -0.263 28.706 29.460 -0.818 0.000 1.150 350 W HN 0.200 nan 8.180 nan 0.000 0.496 351 D N -0.684 119.839 120.400 0.206 0.000 2.097 351 D HA -0.164 4.476 4.640 -0.001 0.000 0.197 351 D C 2.289 178.673 176.300 0.140 0.000 0.984 351 D CA 1.399 55.523 54.000 0.206 0.000 0.826 351 D CB -0.953 39.971 40.800 0.207 0.000 0.973 351 D HN 0.026 nan 8.370 nan 0.000 0.460 352 V N 0.840 120.826 119.914 0.121 0.000 2.427 352 V HA -0.192 3.927 4.120 -0.001 0.000 0.248 352 V C 2.130 178.257 176.094 0.054 0.000 1.051 352 V CA 1.531 63.882 62.300 0.085 0.000 1.048 352 V CB -0.053 31.872 31.823 0.170 0.000 0.666 352 V HN 0.145 nan 8.190 nan 0.000 0.456 353 Q N -0.303 119.565 119.800 0.114 0.000 2.049 353 Q HA -0.164 4.175 4.340 -0.001 0.000 0.198 353 Q C 2.343 178.535 176.000 0.321 0.000 0.971 353 Q CA 1.763 57.727 55.803 0.268 0.000 0.833 353 Q CB -0.418 28.447 28.738 0.212 0.000 0.896 353 Q HN 0.618 nan 8.270 nan 0.000 0.434 354 R N 0.528 121.180 120.500 0.253 0.000 2.066 354 R HA -0.085 4.255 4.340 -0.001 0.000 0.232 354 R C 2.215 178.672 176.300 0.261 0.000 1.131 354 R CA 1.196 57.488 56.100 0.319 0.000 0.955 354 R CB -0.009 30.436 30.300 0.241 0.000 0.851 354 R HN 0.047 nan 8.270 nan 0.000 0.432 355 V N 2.008 121.994 119.914 0.120 0.000 2.358 355 V HA -0.226 3.893 4.120 -0.001 0.000 0.246 355 V C 1.988 178.019 176.094 -0.105 0.000 1.047 355 V CA 1.816 64.137 62.300 0.035 0.000 1.035 355 V CB -0.611 31.223 31.823 0.018 0.000 0.658 355 V HN 0.429 nan 8.190 nan 0.000 0.452 356 N N -0.620 117.905 118.700 -0.291 0.000 2.142 356 N HA -0.163 4.577 4.740 -0.001 0.000 0.186 356 N C 1.864 177.060 175.510 -0.523 0.000 1.023 356 N CA 1.632 54.302 53.050 -0.633 0.000 0.852 356 N CB -0.334 37.181 38.487 -1.620 0.000 0.998 356 N HN 0.521 nan 8.380 nan 0.000 0.424 357 Y N 1.986 122.093 120.300 -0.321 0.000 2.242 357 Y HA -0.088 4.461 4.550 -0.001 0.000 0.291 357 Y C 2.363 177.746 175.900 -0.861 0.000 1.137 357 Y CA 1.063 58.851 58.100 -0.519 0.000 1.181 357 Y CB -0.116 38.126 38.460 -0.364 0.000 0.989 357 Y HN 0.141 nan 8.280 nan 0.000 0.527 358 E N -0.231 119.824 120.200 -0.242 0.000 2.118 358 E HA -0.237 4.112 4.350 -0.001 0.000 0.195 358 E C 2.211 178.758 176.600 -0.088 0.000 0.992 358 E CA 1.130 57.473 56.400 -0.095 0.000 0.804 358 E CB -0.151 29.619 29.700 0.117 0.000 0.741 358 E HN 0.474 nan 8.360 nan 0.000 0.458 359 R N 0.328 120.753 120.500 -0.125 0.000 2.075 359 R HA -0.090 4.249 4.340 -0.001 0.000 0.232 359 R C 2.466 178.730 176.300 -0.060 0.000 1.126 359 R CA 0.884 56.940 56.100 -0.073 0.000 0.963 359 R CB -0.268 29.970 30.300 -0.103 0.000 0.858 359 R HN 0.152 nan 8.270 nan 0.000 0.435 360 L N -0.363 120.754 121.223 -0.177 0.000 2.017 360 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 360 L C 2.138 179.037 176.870 0.048 0.000 1.073 360 L CA 1.176 55.946 54.840 -0.117 0.000 0.745 360 L CB -0.424 41.475 42.059 -0.267 0.000 0.894 360 L HN 0.075 nan 8.230 nan 0.000 0.432 361 F N 0.265 120.222 119.950 0.011 0.000 2.134 361 F HA -0.226 4.300 4.527 -0.001 0.000 0.299 361 F C 2.643 178.441 175.800 -0.003 0.000 1.097 361 F CA 1.395 59.387 58.000 -0.013 0.000 1.264 361 F CB -0.994 37.958 39.000 -0.080 0.000 1.001 361 F HN 0.221 nan 8.300 nan 0.000 0.479 362 E N -0.691 119.631 120.200 0.203 0.000 2.077 362 E HA -0.288 4.061 4.350 -0.001 0.000 0.193 362 E C 2.222 178.902 176.600 0.133 0.000 0.989 362 E CA 1.489 57.972 56.400 0.138 0.000 0.800 362 E CB -0.265 29.502 29.700 0.111 0.000 0.746 362 E HN 0.500 nan 8.360 nan 0.000 0.452 363 H N 0.368 119.481 119.070 0.073 0.000 2.293 363 H HA -0.066 4.489 4.556 -0.001 0.000 0.300 363 H C 2.069 177.481 175.328 0.140 0.000 1.082 363 H CA 2.268 58.374 56.048 0.096 0.000 1.308 363 H CB -0.241 29.573 29.762 0.087 0.000 1.375 363 H HN 0.159 nan 8.280 nan 0.000 0.495 364 I N 0.444 121.052 120.570 0.064 0.000 2.163 364 I HA -0.306 3.863 4.170 -0.001 0.000 0.243 364 I C 1.678 177.806 176.117 0.019 0.000 1.085 364 I CA 1.460 62.739 61.300 -0.035 0.000 1.347 364 I CB -0.308 37.604 38.000 -0.147 0.000 1.044 364 I HN 0.373 nan 8.210 nan 0.000 0.408 365 N N 0.263 118.970 118.700 0.012 0.000 2.396 365 N HA -0.105 4.635 4.740 -0.001 0.000 0.180 365 N C 1.868 177.360 175.510 -0.030 0.000 1.028 365 N CA 1.460 54.498 53.050 -0.021 0.000 0.893 365 N CB -0.260 38.206 38.487 -0.035 0.000 0.967 365 N HN 0.411 nan 8.380 nan 0.000 0.440 366 S N -0.853 114.824 115.700 -0.038 0.000 2.524 366 S HA 0.123 4.592 4.470 -0.001 0.000 0.216 366 S C 0.557 175.109 174.600 -0.081 0.000 0.987 366 S CA -0.049 58.122 58.200 -0.048 0.000 0.909 366 S CB 0.245 63.429 63.200 -0.027 0.000 0.781 366 S HN -0.029 nan 8.310 nan 0.000 0.521 367 Q N 1.227 120.951 119.800 -0.126 0.000 2.430 367 Q HA 0.582 4.921 4.340 -0.001 0.000 0.245 367 Q C 0.851 176.706 176.000 -0.242 0.000 1.021 367 Q CA 0.097 55.777 55.803 -0.204 0.000 0.867 367 Q CB 1.170 29.673 28.738 -0.393 0.000 1.210 367 Q HN 0.404 nan 8.270 nan 0.000 0.487 368 A N 2.760 125.505 122.820 -0.124 0.000 1.978 368 A HA -0.260 4.059 4.320 -0.001 0.000 0.220 368 A C 1.596 179.118 177.584 -0.104 0.000 1.170 368 A CA 2.105 54.091 52.037 -0.084 0.000 0.636 368 A CB -0.717 18.263 19.000 -0.034 0.000 0.810 368 A HN 0.893 nan 8.150 nan 0.000 0.448 369 H N -3.334 115.647 119.070 -0.148 0.000 2.489 369 H HA -0.050 4.505 4.556 -0.001 0.000 0.295 369 H C 1.372 176.634 175.328 -0.110 0.000 1.082 369 H CA 1.533 57.483 56.048 -0.164 0.000 1.295 369 H CB -0.579 29.031 29.762 -0.254 0.000 1.380 369 H HN 0.420 nan 8.280 nan 0.000 0.548 370 F N 0.877 120.562 119.950 -0.441 0.000 2.293 370 F HA 0.015 4.541 4.527 -0.001 0.000 0.297 370 F C 0.787 176.541 175.800 -0.078 0.000 1.089 370 F CA 0.667 58.538 58.000 -0.216 0.000 1.377 370 F CB -0.327 38.507 39.000 -0.276 0.000 1.051 370 F HN 0.170 nan 8.300 nan 0.000 0.511 371 N N 0.482 119.236 118.700 0.091 0.000 2.727 371 N HA -0.167 4.572 4.740 -0.001 0.000 0.249 371 N C -0.976 174.524 175.510 -0.017 0.000 1.048 371 N CA 0.458 53.540 53.050 0.053 0.000 0.714 371 N CB -1.543 37.020 38.487 0.126 0.000 0.959 371 N HN 0.043 nan 8.380 nan 0.000 0.544 372 V N 0.571 120.469 119.914 -0.027 0.000 2.735 372 V HA 0.420 4.539 4.120 -0.001 0.000 0.310 372 V C 0.142 176.151 176.094 -0.142 0.000 1.061 372 V CA -0.658 61.571 62.300 -0.119 0.000 0.913 372 V CB 2.465 34.249 31.823 -0.065 0.000 1.005 372 V HN 0.187 nan 8.190 nan 0.000 0.428 373 Q N 3.090 122.748 119.800 -0.236 0.000 2.339 373 Q HA 0.752 5.091 4.340 -0.001 0.000 0.268 373 Q C -0.842 174.902 176.000 -0.427 0.000 1.027 373 Q CA -0.144 55.496 55.803 -0.273 0.000 0.759 373 Q CB 1.649 30.229 28.738 -0.263 0.000 1.244 373 Q HN 0.992 nan 8.270 nan 0.000 0.464 374 A N 4.392 126.949 122.820 -0.439 0.000 2.350 374 A HA 0.898 5.217 4.320 -0.001 0.000 0.324 374 A C -1.210 175.689 177.584 -1.141 0.000 1.118 374 A CA -0.524 51.086 52.037 -0.711 0.000 0.783 374 A CB 1.180 19.956 19.000 -0.374 0.000 1.236 374 A HN 0.756 nan 8.150 nan 0.000 0.457 375 Q N 1.305 120.341 119.800 -1.274 0.000 2.522 375 Q HA 0.443 4.782 4.340 -0.001 0.000 0.285 375 Q C -1.626 173.932 176.000 -0.737 0.000 0.982 375 Q CA -0.708 54.393 55.803 -1.169 0.000 0.805 375 Q CB 0.550 28.965 28.738 -0.538 0.000 1.457 375 Q HN 0.383 nan 8.270 nan 0.000 0.394 376 F N 0.713 120.545 119.950 -0.196 0.000 2.572 376 F HA 0.562 5.088 4.527 -0.001 0.000 0.370 376 F C 1.271 177.103 175.800 0.053 0.000 1.103 376 F CA 1.482 59.506 58.000 0.040 0.000 1.286 376 F CB 0.670 39.755 39.000 0.140 0.000 1.105 376 F HN 0.743 nan 8.300 nan 0.000 0.583 377 G N 0.501 109.473 108.800 0.286 0.000 2.766 377 G HA2 0.638 4.597 3.960 -0.001 0.000 0.288 377 G HA3 0.638 4.597 3.960 -0.001 0.000 0.288 377 G C -1.070 173.831 174.900 0.001 0.000 1.408 377 G CA -0.632 44.580 45.100 0.187 0.000 0.852 377 G HN 0.704 nan 8.290 nan 0.000 0.487 378 T N -1.926 112.553 114.554 -0.125 0.000 2.949 378 T HA 0.465 4.814 4.350 -0.001 0.000 0.287 378 T C 1.253 175.799 174.700 -0.256 0.000 1.034 378 T CA -0.513 61.474 62.100 -0.188 0.000 1.018 378 T CB 1.588 70.359 68.868 -0.161 0.000 1.135 378 T HN 0.500 nan 8.240 nan 0.000 0.532 379 L N 0.639 121.709 121.223 -0.255 0.000 2.046 379 L HA -0.006 4.333 4.340 -0.001 0.000 0.208 379 L C 2.773 179.602 176.870 -0.069 0.000 1.077 379 L CA 2.036 56.756 54.840 -0.201 0.000 0.747 379 L CB -1.123 40.858 42.059 -0.130 0.000 0.896 379 L HN 0.905 nan 8.230 nan 0.000 0.432 380 Q N -0.093 119.692 119.800 -0.025 0.000 2.124 380 Q HA -0.227 4.113 4.340 -0.001 0.000 0.202 380 Q C 2.101 178.035 176.000 -0.110 0.000 0.977 380 Q CA 2.008 57.828 55.803 0.029 0.000 0.850 380 Q CB -0.190 28.539 28.738 -0.015 0.000 0.901 380 Q HN 0.631 nan 8.270 nan 0.000 0.429 381 E N -1.232 118.813 120.200 -0.259 0.000 2.077 381 E HA -0.221 4.129 4.350 -0.001 0.000 0.193 381 E C 1.710 177.859 176.600 -0.752 0.000 0.989 381 E CA 1.163 57.287 56.400 -0.460 0.000 0.800 381 E CB -0.298 29.070 29.700 -0.554 0.000 0.746 381 E HN 0.485 nan 8.360 nan 0.000 0.452 382 Y N 0.517 120.273 120.300 -0.907 0.000 2.097 382 Y HA -0.267 4.282 4.550 -0.001 0.000 0.282 382 Y C 1.866 177.452 175.900 -0.524 0.000 1.152 382 Y CA 1.616 59.200 58.100 -0.859 0.000 1.136 382 Y CB -0.452 37.544 38.460 -0.773 0.000 0.975 382 Y HN -0.061 nan 8.280 nan 0.000 0.498 383 F N 0.845 120.540 119.950 -0.425 0.000 2.186 383 F HA -0.161 4.365 4.527 -0.001 0.000 0.299 383 F C 2.218 177.784 175.800 -0.390 0.000 1.090 383 F CA 1.690 59.416 58.000 -0.456 0.000 1.307 383 F CB -0.765 38.161 39.000 -0.123 0.000 1.019 383 F HN 0.093 nan 8.300 nan 0.000 0.489 384 D N 0.045 120.389 120.400 -0.094 0.000 2.123 384 D HA -0.158 4.481 4.640 -0.001 0.000 0.196 384 D C 2.356 178.575 176.300 -0.134 0.000 0.992 384 D CA 1.501 55.457 54.000 -0.073 0.000 0.833 384 D CB -0.568 40.178 40.800 -0.090 0.000 0.954 384 D HN 0.240 nan 8.370 nan 0.000 0.455 385 A N 0.446 123.124 122.820 -0.237 0.000 1.930 385 A HA -0.091 4.228 4.320 -0.001 0.000 0.217 385 A C 2.522 179.980 177.584 -0.211 0.000 1.175 385 A CA 0.919 52.863 52.037 -0.155 0.000 0.627 385 A CB -0.647 18.332 19.000 -0.034 0.000 0.815 385 A HN 0.131 nan 8.150 nan 0.000 0.443 386 V N -0.014 119.636 119.914 -0.440 0.000 2.287 386 V HA -0.266 3.853 4.120 -0.001 0.000 0.248 386 V C 2.431 178.337 176.094 -0.314 0.000 1.053 386 V CA 2.154 64.195 62.300 -0.432 0.000 1.027 386 V CB -1.029 30.351 31.823 -0.740 0.000 0.646 386 V HN 0.651 nan 8.190 nan 0.000 0.447 387 H N -0.245 118.708 119.070 -0.195 0.000 2.428 387 H HA -0.081 4.475 4.556 -0.001 0.000 0.296 387 H C 2.417 177.708 175.328 -0.061 0.000 1.062 387 H CA 1.381 57.344 56.048 -0.141 0.000 1.350 387 H CB -0.108 29.534 29.762 -0.201 0.000 1.403 387 H HN 0.557 nan 8.280 nan 0.000 0.533 388 Q N 0.353 120.171 119.800 0.029 0.000 2.084 388 Q HA -0.087 4.252 4.340 -0.001 0.000 0.202 388 Q C 2.578 178.596 176.000 0.029 0.000 0.978 388 Q CA 1.405 57.221 55.803 0.022 0.000 0.844 388 Q CB -0.049 28.691 28.738 0.002 0.000 0.898 388 Q HN 0.409 nan 8.270 nan 0.000 0.426 389 A N 1.062 123.894 122.820 0.021 0.000 1.902 389 A HA -0.271 4.048 4.320 -0.001 0.000 0.217 389 A C 1.946 179.562 177.584 0.053 0.000 1.181 389 A CA 1.658 53.722 52.037 0.044 0.000 0.623 389 A CB -0.577 18.453 19.000 0.051 0.000 0.818 389 A HN 0.449 nan 8.150 nan 0.000 0.443 390 E N -0.271 119.978 120.200 0.082 0.000 2.058 390 E HA -0.224 4.125 4.350 -0.001 0.000 0.194 390 E C 2.251 178.892 176.600 0.068 0.000 0.997 390 E CA 1.164 57.622 56.400 0.097 0.000 0.801 390 E CB -0.136 29.730 29.700 0.277 0.000 0.746 390 E HN 0.574 nan 8.360 nan 0.000 0.450 391 R N -0.293 120.249 120.500 0.071 0.000 2.152 391 R HA -0.066 4.273 4.340 -0.001 0.000 0.232 391 R C 2.094 178.413 176.300 0.031 0.000 1.117 391 R CA 0.895 57.023 56.100 0.046 0.000 0.981 391 R CB -0.156 30.166 30.300 0.036 0.000 0.870 391 R HN 0.130 nan 8.270 nan 0.000 0.451 392 A N 0.131 122.971 122.820 0.033 0.000 2.235 392 A HA 0.176 4.495 4.320 -0.001 0.000 0.208 392 A C 1.349 178.946 177.584 0.022 0.000 1.172 392 A CA 0.788 52.842 52.037 0.029 0.000 0.786 392 A CB -0.154 18.869 19.000 0.039 0.000 0.804 392 A HN 0.453 nan 8.150 nan 0.000 0.479 393 G N -1.018 107.792 108.800 0.015 0.000 2.136 393 G HA2 -0.332 3.627 3.960 -0.001 0.000 0.242 393 G HA3 -0.332 3.627 3.960 -0.001 0.000 0.242 393 G C 0.783 175.677 174.900 -0.010 0.000 0.989 393 G CA 0.639 45.739 45.100 -0.000 0.000 0.682 393 G HN 0.580 nan 8.290 nan 0.000 0.522 394 Q N -0.466 119.334 119.800 0.000 0.000 2.311 394 Q HA 0.502 4.841 4.340 -0.001 0.000 0.203 394 Q C 1.079 177.056 176.000 -0.038 0.000 0.954 394 Q CA 1.447 57.256 55.803 0.010 0.000 0.885 394 Q CB 0.035 28.816 28.738 0.071 0.000 0.963 394 Q HN 1.331 nan 8.270 nan 0.000 0.471 395 A N 0.798 123.549 122.820 -0.115 0.000 2.594 395 A HA 0.482 4.801 4.320 -0.001 0.000 0.295 395 A C -1.605 175.757 177.584 -0.369 0.000 1.071 395 A CA -0.897 50.975 52.037 -0.275 0.000 0.685 395 A CB 1.284 20.028 19.000 -0.426 0.000 1.285 395 A HN 0.299 nan 8.150 nan 0.000 0.405 396 E N 0.646 120.622 120.200 -0.374 0.000 2.256 396 E HA 0.757 5.106 4.350 -0.001 0.000 0.267 396 E C -1.612 174.781 176.600 -0.344 0.000 0.892 396 E CA -0.599 55.636 56.400 -0.276 0.000 0.775 396 E CB 1.804 31.459 29.700 -0.075 0.000 1.207 396 E HN 0.338 nan 8.360 nan 0.000 0.420 397 F N 1.568 121.624 119.950 0.177 0.000 2.458 397 F HA 0.413 4.940 4.527 -0.001 0.000 0.330 397 F C -1.887 174.016 175.800 0.171 0.000 1.082 397 F CA -2.384 55.744 58.000 0.213 0.000 0.995 397 F CB 1.152 40.357 39.000 0.343 0.000 1.170 397 F HN 0.354 nan 8.300 nan 0.000 0.478 398 P HA 0.182 nan 4.420 nan 0.000 0.274 398 P C -0.668 176.775 177.300 0.239 0.000 1.237 398 P CA -0.373 62.862 63.100 0.225 0.000 0.793 398 P CB 0.926 32.725 31.700 0.165 0.000 0.977 399 T N -0.388 114.258 114.554 0.154 0.000 2.907 399 T HA 0.676 5.026 4.350 -0.001 0.000 0.284 399 T C -0.294 174.438 174.700 0.055 0.000 1.004 399 T CA -0.794 61.388 62.100 0.137 0.000 1.063 399 T CB 1.029 69.956 68.868 0.098 0.000 0.992 399 T HN 0.451 nan 8.240 nan 0.000 0.483 400 L N 1.882 123.138 121.223 0.055 0.000 2.445 400 L HA 0.718 5.058 4.340 -0.001 0.000 0.262 400 L C -0.680 176.182 176.870 -0.013 0.000 0.974 400 L CA -0.393 54.370 54.840 -0.129 0.000 0.822 400 L CB 2.187 43.927 42.059 -0.531 0.000 1.339 400 L HN 1.113 nan 8.230 nan 0.000 0.409 401 S N 2.496 118.143 115.700 -0.090 0.000 2.627 401 S HA 1.062 5.531 4.470 -0.001 0.000 0.283 401 S C -0.329 174.198 174.600 -0.122 0.000 1.127 401 S CA -0.034 58.172 58.200 0.011 0.000 0.863 401 S CB 2.064 65.236 63.200 -0.046 0.000 1.121 401 S HN 1.682 nan 8.310 nan 0.000 0.479 402 G N 0.962 109.750 108.800 -0.020 0.000 2.331 402 G HA2 0.325 4.284 3.960 -0.001 0.000 0.479 402 G HA3 0.325 4.284 3.960 -0.001 0.000 0.479 402 G C -1.812 172.998 174.900 -0.150 0.000 1.262 402 G CA -0.006 44.985 45.100 -0.182 0.000 1.029 402 G HN 1.296 nan 8.290 nan 0.000 0.487 403 D N -1.723 118.458 120.400 -0.365 0.000 2.585 403 D HA 0.750 5.389 4.640 -0.001 0.000 0.254 403 D C -0.672 175.154 176.300 -0.789 0.000 1.067 403 D CA -1.053 52.753 54.000 -0.324 0.000 1.090 403 D CB 1.110 41.905 40.800 -0.009 0.000 1.408 403 D HN 0.386 nan 8.370 nan 0.000 0.554 404 F N -0.401 119.430 119.950 -0.197 0.000 2.679 404 F HA 0.396 4.922 4.527 -0.001 0.000 0.354 404 F C -0.949 174.689 175.800 -0.271 0.000 1.423 404 F CA -0.648 57.237 58.000 -0.191 0.000 1.141 404 F CB 0.170 39.088 39.000 -0.138 0.000 1.168 404 F HN -0.000 nan 8.300 nan 0.000 0.530 405 F N -0.663 119.475 119.950 0.314 0.000 2.522 405 F HA 0.573 5.099 4.527 -0.001 0.000 0.324 405 F C 0.580 176.641 175.800 0.435 0.000 1.077 405 F CA -1.367 56.882 58.000 0.416 0.000 0.944 405 F CB 1.653 40.890 39.000 0.396 0.000 1.175 405 F HN -0.266 nan 8.300 nan 0.000 0.468 406 T N 1.900 116.831 114.554 0.629 0.000 2.837 406 T HA 0.178 4.527 4.350 -0.001 0.000 0.285 406 T C -0.994 174.174 174.700 0.781 0.000 0.984 406 T CA -0.237 62.304 62.100 0.734 0.000 1.049 406 T CB 0.260 69.418 68.868 0.484 0.000 0.947 406 T HN 0.375 nan 8.240 nan 0.000 0.472 407 Y N 2.930 123.561 120.300 0.552 0.000 2.511 407 Y HA 0.428 4.977 4.550 -0.001 0.000 0.332 407 Y C -0.130 175.831 175.900 0.102 0.000 1.177 407 Y CA -1.093 57.162 58.100 0.258 0.000 1.422 407 Y CB 0.104 38.594 38.460 0.050 0.000 1.271 407 Y HN 0.680 nan 8.280 nan 0.000 0.550 408 A N 5.130 127.521 122.820 -0.715 0.000 2.356 408 A HA 0.371 4.690 4.320 -0.001 0.000 0.310 408 A C 0.007 176.955 177.584 -1.059 0.000 1.075 408 A CA -0.263 51.190 52.037 -0.975 0.000 0.746 408 A CB 0.718 18.906 19.000 -1.353 0.000 1.221 408 A HN 0.807 nan 8.150 nan 0.000 0.443 409 D N 1.440 121.372 120.400 -0.780 0.000 2.305 409 D HA 0.042 4.682 4.640 -0.001 0.000 0.206 409 D C 0.534 176.844 176.300 0.017 0.000 0.974 409 D CA 0.600 54.396 54.000 -0.341 0.000 0.871 409 D CB 0.150 40.869 40.800 -0.136 0.000 0.947 409 D HN 0.719 nan 8.370 nan 0.000 0.516 410 R N -1.132 119.325 120.500 -0.072 0.000 2.664 410 R HA 0.375 4.715 4.340 -0.001 0.000 0.266 410 R C 0.096 176.300 176.300 -0.160 0.000 1.046 410 R CA -0.109 55.807 56.100 -0.306 0.000 0.885 410 R CB 0.817 31.001 30.300 -0.193 0.000 1.254 410 R HN 0.021 nan 8.270 nan 0.000 0.465 411 S N 0.981 116.540 115.700 -0.235 0.000 4.050 411 S HA -0.355 4.114 4.470 -0.001 0.000 0.602 411 S C 0.560 175.246 174.600 0.143 0.000 2.030 411 S CA 1.563 59.767 58.200 0.006 0.000 4.208 411 S CB -1.629 61.558 63.200 -0.021 0.000 0.290 411 S HN 1.064 nan 8.310 nan 0.000 0.615 412 D N 1.578 122.049 120.400 0.118 0.000 2.427 412 D HA 0.196 4.835 4.640 -0.001 0.000 0.224 412 D C -0.161 176.247 176.300 0.181 0.000 1.157 412 D CA -0.299 53.837 54.000 0.227 0.000 0.828 412 D CB -1.561 39.359 40.800 0.200 0.000 0.974 412 D HN 0.634 nan 8.370 nan 0.000 0.498 413 N N 0.973 119.681 118.700 0.014 0.000 2.807 413 N HA 0.055 4.794 4.740 -0.001 0.000 0.259 413 N C -0.905 174.625 175.510 0.034 0.000 1.149 413 N CA -0.332 52.734 53.050 0.025 0.000 1.042 413 N CB 0.158 38.647 38.487 0.003 0.000 1.367 413 N HN 0.134 nan 8.380 nan 0.000 0.516 414 Y N 0.207 120.596 120.300 0.149 0.000 2.316 414 Y HA 0.105 4.654 4.550 -0.001 0.000 0.331 414 Y C 0.144 176.243 175.900 0.332 0.000 1.083 414 Y CA -0.643 57.608 58.100 0.252 0.000 1.206 414 Y CB 0.551 39.106 38.460 0.158 0.000 1.195 414 Y HN 0.402 nan 8.280 nan 0.000 0.497 415 W N 2.375 123.811 121.300 0.226 0.000 1.809 415 W HA 0.230 4.889 4.660 -0.001 0.000 0.399 415 W C 0.848 177.406 176.519 0.065 0.000 0.636 415 W CA -0.580 56.929 57.345 0.273 0.000 2.178 415 W CB -0.461 29.277 29.460 0.464 0.000 1.632 415 W HN 0.557 nan 8.180 nan 0.000 0.470 416 S N -2.111 113.617 115.700 0.048 0.000 2.535 416 S HA 0.127 4.596 4.470 -0.001 0.000 0.214 416 S C 1.955 176.281 174.600 -0.457 0.000 0.980 416 S CA 0.343 58.205 58.200 -0.563 0.000 0.907 416 S CB 0.153 63.349 63.200 -0.008 0.000 0.790 416 S HN 0.334 nan 8.310 nan 0.000 0.510 417 G N 2.049 110.785 108.800 -0.106 0.000 2.418 417 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.217 417 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.217 417 G C 1.261 176.139 174.900 -0.038 0.000 1.158 417 G CA 0.919 45.975 45.100 -0.073 0.000 0.771 417 G HN 0.800 nan 8.290 nan 0.000 0.545 418 Y N -0.510 119.760 120.300 -0.051 0.000 2.632 418 Y HA 0.166 4.715 4.550 -0.001 0.000 0.301 418 Y C 1.848 177.874 175.900 0.210 0.000 1.172 418 Y CA -0.376 57.774 58.100 0.083 0.000 1.328 418 Y CB -0.369 38.215 38.460 0.207 0.000 1.016 418 Y HN 0.177 nan 8.280 nan 0.000 0.529 419 Y N 0.647 120.738 120.300 -0.349 0.000 2.497 419 Y HA -0.046 4.503 4.550 -0.001 0.000 0.292 419 Y C 1.780 177.641 175.900 -0.065 0.000 1.137 419 Y CA 0.733 58.667 58.100 -0.276 0.000 1.285 419 Y CB -0.770 37.566 38.460 -0.207 0.000 0.991 419 Y HN 0.296 nan 8.280 nan 0.000 0.556 420 T N -2.593 112.037 114.554 0.127 0.000 2.954 420 T HA 0.085 4.434 4.350 -0.001 0.000 0.252 420 T C 0.720 175.514 174.700 0.157 0.000 0.983 420 T CA -0.067 62.109 62.100 0.128 0.000 0.941 420 T CB 0.029 68.944 68.868 0.079 0.000 1.141 420 T HN -0.059 nan 8.240 nan 0.000 0.500 421 S N 2.485 118.275 115.700 0.150 0.000 2.573 421 S HA 0.176 4.645 4.470 -0.001 0.000 0.297 421 S C 0.430 175.169 174.600 0.231 0.000 1.280 421 S CA -0.013 58.286 58.200 0.164 0.000 1.061 421 S CB 0.085 63.366 63.200 0.136 0.000 0.812 421 S HN 0.398 nan 8.310 nan 0.000 0.500 422 R N 1.035 121.688 120.500 0.256 0.000 3.205 422 R HA -0.123 4.216 4.340 -0.001 0.000 0.249 422 R C -2.021 174.533 176.300 0.423 0.000 0.937 422 R CA 0.669 56.995 56.100 0.378 0.000 0.641 422 R CB -1.803 28.750 30.300 0.422 0.000 1.114 422 R HN 0.504 nan 8.270 nan 0.000 0.451 423 P HA -0.208 nan 4.420 nan 0.000 0.223 423 P C 1.097 178.616 177.300 0.365 0.000 1.151 423 P CA 0.931 64.254 63.100 0.372 0.000 0.787 423 P CB -0.019 31.945 31.700 0.440 0.000 0.788 424 Y N 1.341 121.738 120.300 0.161 0.000 2.165 424 Y HA -0.243 4.306 4.550 -0.001 0.000 0.286 424 Y C 2.244 178.134 175.900 -0.017 0.000 1.155 424 Y CA 2.003 60.118 58.100 0.026 0.000 1.164 424 Y CB -0.862 37.483 38.460 -0.193 0.000 0.978 424 Y HN 0.063 nan 8.280 nan 0.000 0.513 425 H N -0.923 118.416 119.070 0.448 0.000 2.470 425 H HA 0.025 4.580 4.556 -0.001 0.000 0.289 425 H C 2.043 177.541 175.328 0.283 0.000 1.033 425 H CA 1.212 57.448 56.048 0.314 0.000 1.331 425 H CB -0.031 29.982 29.762 0.418 0.000 1.414 425 H HN 0.229 nan 8.280 nan 0.000 0.545 426 K N 0.371 121.004 120.400 0.389 0.000 2.057 426 K HA -0.156 4.163 4.320 -0.001 0.000 0.207 426 K C 2.240 178.906 176.600 0.110 0.000 1.049 426 K CA 1.201 57.651 56.287 0.272 0.000 0.931 426 K CB 0.072 32.709 32.500 0.228 0.000 0.714 426 K HN 0.024 nan 8.250 nan 0.000 0.440 427 R N 1.354 121.890 120.500 0.061 0.000 2.092 427 R HA -0.012 4.328 4.340 -0.001 0.000 0.231 427 R C 2.049 178.114 176.300 -0.391 0.000 1.119 427 R CA 1.416 57.477 56.100 -0.066 0.000 0.970 427 R CB -0.379 29.974 30.300 0.087 0.000 0.864 427 R HN 0.167 nan 8.270 nan 0.000 0.440 428 M N 0.196 119.450 119.600 -0.577 0.000 2.159 428 M HA -0.188 4.291 4.480 -0.001 0.000 0.263 428 M C 1.426 177.420 176.300 -0.511 0.000 1.063 428 M CA 2.389 57.102 55.300 -0.978 0.000 1.110 428 M CB -0.304 31.908 32.600 -0.647 0.000 1.374 428 M HN 0.268 nan 8.290 nan 0.000 0.411 429 D N -0.187 120.097 120.400 -0.193 0.000 2.133 429 D HA -0.221 4.419 4.640 -0.001 0.000 0.195 429 D C 1.895 178.122 176.300 -0.120 0.000 0.997 429 D CA 1.459 55.441 54.000 -0.030 0.000 0.840 429 D CB 0.117 41.045 40.800 0.214 0.000 0.947 429 D HN 0.220 nan 8.370 nan 0.000 0.452 430 R N -0.002 120.403 120.500 -0.159 0.000 2.115 430 R HA 0.001 4.340 4.340 -0.001 0.000 0.226 430 R C 2.411 178.569 176.300 -0.236 0.000 1.100 430 R CA 0.397 56.392 56.100 -0.175 0.000 0.980 430 R CB -0.879 29.334 30.300 -0.146 0.000 0.875 430 R HN 0.261 nan 8.270 nan 0.000 0.445 431 V N 1.490 121.194 119.914 -0.350 0.000 2.295 431 V HA -0.213 3.907 4.120 -0.001 0.000 0.246 431 V C 2.350 178.332 176.094 -0.186 0.000 1.049 431 V CA 1.484 63.574 62.300 -0.350 0.000 1.024 431 V CB -0.565 30.846 31.823 -0.687 0.000 0.648 431 V HN 0.140 nan 8.190 nan 0.000 0.447 432 L N -0.379 120.718 121.223 -0.211 0.000 2.141 432 L HA -0.140 4.199 4.340 -0.001 0.000 0.209 432 L C 2.286 179.106 176.870 -0.083 0.000 1.094 432 L CA 1.973 56.762 54.840 -0.085 0.000 0.763 432 L CB -0.688 41.297 42.059 -0.124 0.000 0.908 432 L HN 0.328 nan 8.230 nan 0.000 0.437 433 M N -1.294 118.228 119.600 -0.130 0.000 2.082 433 M HA -0.322 4.157 4.480 -0.001 0.000 0.258 433 M C 2.378 178.576 176.300 -0.170 0.000 1.069 433 M CA 2.392 57.599 55.300 -0.156 0.000 1.102 433 M CB -0.399 32.075 32.600 -0.210 0.000 1.336 433 M HN 0.563 nan 8.290 nan 0.000 0.404 434 H N -0.688 118.218 119.070 -0.273 0.000 2.357 434 H HA -0.155 4.400 4.556 -0.001 0.000 0.301 434 H C 1.424 176.595 175.328 -0.262 0.000 1.082 434 H CA 2.332 58.190 56.048 -0.317 0.000 1.342 434 H CB -0.352 29.138 29.762 -0.453 0.000 1.389 434 H HN 0.474 nan 8.280 nan 0.000 0.511 435 Y N -0.504 119.663 120.300 -0.222 0.000 2.293 435 Y HA -0.123 4.427 4.550 -0.001 0.000 0.291 435 Y C 2.713 178.497 175.900 -0.195 0.000 1.137 435 Y CA 1.067 59.036 58.100 -0.219 0.000 1.202 435 Y CB -0.520 37.879 38.460 -0.102 0.000 0.990 435 Y HN 0.117 nan 8.280 nan 0.000 0.537 436 V N 0.182 120.071 119.914 -0.043 0.000 2.295 436 V HA -0.304 3.815 4.120 -0.001 0.000 0.246 436 V C 2.538 178.571 176.094 -0.102 0.000 1.049 436 V CA 2.171 64.429 62.300 -0.070 0.000 1.024 436 V CB -0.566 31.207 31.823 -0.084 0.000 0.648 436 V HN 0.312 nan 8.190 nan 0.000 0.447 437 R N 0.394 120.800 120.500 -0.156 0.000 2.091 437 R HA -0.171 4.168 4.340 -0.001 0.000 0.238 437 R C 2.217 178.458 176.300 -0.100 0.000 1.136 437 R CA 1.860 57.878 56.100 -0.137 0.000 0.959 437 R CB -0.445 29.757 30.300 -0.163 0.000 0.856 437 R HN 0.467 nan 8.270 nan 0.000 0.437 438 A N 0.548 123.264 122.820 -0.173 0.000 1.929 438 A HA 0.012 4.332 4.320 -0.001 0.000 0.216 438 A C 2.334 179.926 177.584 0.014 0.000 1.176 438 A CA 1.371 53.400 52.037 -0.013 0.000 0.628 438 A CB -0.612 18.352 19.000 -0.060 0.000 0.816 438 A HN 0.551 nan 8.150 nan 0.000 0.444 439 A N -0.080 122.738 122.820 -0.004 0.000 1.898 439 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 439 A C 1.934 179.490 177.584 -0.047 0.000 1.181 439 A CA 1.527 53.554 52.037 -0.016 0.000 0.620 439 A CB -0.475 18.511 19.000 -0.024 0.000 0.819 439 A HN 0.603 nan 8.150 nan 0.000 0.442 440 E N -0.984 119.180 120.200 -0.059 0.000 2.106 440 E HA -0.189 4.160 4.350 -0.001 0.000 0.192 440 E C 2.055 178.602 176.600 -0.089 0.000 0.984 440 E CA 1.313 57.665 56.400 -0.080 0.000 0.806 440 E CB -0.243 29.409 29.700 -0.082 0.000 0.750 440 E HN 0.751 nan 8.360 nan 0.000 0.458 441 M N 0.721 120.293 119.600 -0.047 0.000 2.077 441 M HA -0.147 4.333 4.480 -0.001 0.000 0.261 441 M C 2.181 178.486 176.300 0.008 0.000 1.070 441 M CA 1.339 56.612 55.300 -0.045 0.000 1.125 441 M CB 0.021 32.690 32.600 0.115 0.000 1.339 441 M HN 0.071 nan 8.290 nan 0.000 0.409 442 L N 0.146 121.433 121.223 0.107 0.000 2.079 442 L HA -0.207 4.132 4.340 -0.001 0.000 0.210 442 L C 2.609 179.652 176.870 0.288 0.000 1.081 442 L CA 1.766 56.732 54.840 0.210 0.000 0.752 442 L CB -0.560 41.478 42.059 -0.035 0.000 0.896 442 L HN 0.517 nan 8.230 nan 0.000 0.433 443 S N -1.026 114.755 115.700 0.134 0.000 2.527 443 S HA 0.066 4.535 4.470 -0.001 0.000 0.222 443 S C 1.968 176.743 174.600 0.290 0.000 0.985 443 S CA 0.394 58.740 58.200 0.242 0.000 0.921 443 S CB -0.021 63.121 63.200 -0.095 0.000 0.772 443 S HN 0.307 nan 8.310 nan 0.000 0.529 444 A N 0.876 123.691 122.820 -0.009 0.000 2.067 444 A HA 0.099 4.418 4.320 -0.001 0.000 0.219 444 A C 1.678 179.148 177.584 -0.189 0.000 1.158 444 A CA 0.702 52.631 52.037 -0.180 0.000 0.661 444 A CB -1.125 17.616 19.000 -0.432 0.000 0.801 444 A HN 0.751 nan 8.150 nan 0.000 0.452 445 W N -0.617 120.697 121.300 0.024 0.000 2.465 445 W HA 0.011 4.670 4.660 -0.001 0.000 0.268 445 W C 0.839 177.141 176.519 -0.362 0.000 1.242 445 W CA 0.939 58.197 57.345 -0.145 0.000 1.248 445 W CB -0.145 29.191 29.460 -0.208 0.000 1.118 445 W HN 0.391 nan 8.180 nan 0.000 0.587 446 H N -2.356 116.776 119.070 0.104 0.000 2.771 446 H HA 0.373 4.929 4.556 -0.001 0.000 0.367 446 H C -0.407 174.819 175.328 -0.171 0.000 1.172 446 H CA -0.947 54.999 56.048 -0.169 0.000 1.186 446 H CB 1.686 31.104 29.762 -0.574 0.000 1.790 446 H HN -0.442 nan 8.280 nan 0.000 0.556 447 S N 0.808 116.467 115.700 -0.070 0.000 2.537 447 S HA 0.238 4.708 4.470 -0.001 0.000 0.275 447 S C -1.259 173.228 174.600 -0.189 0.000 1.272 447 S CA -0.624 57.553 58.200 -0.038 0.000 1.050 447 S CB 0.183 63.369 63.200 -0.025 0.000 0.961 447 S HN 0.365 nan 8.310 nan 0.000 0.496 448 W N 2.231 123.522 121.300 -0.014 0.000 2.632 448 W HA 0.339 4.998 4.660 -0.001 0.000 0.328 448 W C 0.008 176.468 176.519 -0.099 0.000 1.044 448 W CA -0.857 56.445 57.345 -0.072 0.000 1.225 448 W CB 0.575 29.955 29.460 -0.133 0.000 1.396 448 W HN 0.614 nan 8.180 nan 0.000 0.499 449 D N 0.979 121.435 120.400 0.094 0.000 2.506 449 D HA 0.099 4.738 4.640 -0.001 0.000 0.234 449 D C 1.678 177.966 176.300 -0.019 0.000 1.143 449 D CA 1.319 55.344 54.000 0.043 0.000 0.871 449 D CB 1.180 42.038 40.800 0.096 0.000 1.190 449 D HN 0.569 nan 8.370 nan 0.000 0.459 450 G N 3.089 111.891 108.800 0.005 0.000 2.485 450 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.221 450 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.221 450 G C 1.311 176.185 174.900 -0.044 0.000 1.115 450 G CA 0.454 45.546 45.100 -0.014 0.000 0.751 450 G HN 0.485 nan 8.290 nan 0.000 0.567 451 M N 0.981 120.567 119.600 -0.024 0.000 2.460 451 M HA 0.102 4.581 4.480 -0.001 0.000 0.263 451 M C 2.776 179.008 176.300 -0.113 0.000 1.071 451 M CA 0.784 56.095 55.300 0.019 0.000 1.096 451 M CB -0.836 31.873 32.600 0.183 0.000 1.408 451 M HN 0.320 nan 8.290 nan 0.000 0.463 452 A N -0.107 122.417 122.820 -0.493 0.000 2.119 452 A HA -0.044 4.276 4.320 -0.001 0.000 0.217 452 A C 1.275 178.671 177.584 -0.314 0.000 1.153 452 A CA 0.450 52.023 52.037 -0.773 0.000 0.692 452 A CB -0.342 18.017 19.000 -1.068 0.000 0.799 452 A HN 0.585 nan 8.150 nan 0.000 0.458 453 R N -1.739 118.642 120.500 -0.200 0.000 3.758 453 R HA -0.181 4.159 4.340 -0.001 0.000 0.299 453 R C 0.723 176.920 176.300 -0.172 0.000 1.182 453 R CA 0.747 56.769 56.100 -0.129 0.000 0.809 453 R CB -2.141 28.115 30.300 -0.073 0.000 1.249 453 R HN 0.494 nan 8.270 nan 0.000 0.497 454 I N 0.510 120.927 120.570 -0.253 0.000 2.163 454 I HA -0.206 3.964 4.170 -0.001 0.000 0.240 454 I C 2.114 178.113 176.117 -0.196 0.000 1.081 454 I CA 1.727 62.832 61.300 -0.324 0.000 1.353 454 I CB -0.653 37.016 38.000 -0.553 0.000 1.054 454 I HN 0.219 nan 8.210 nan 0.000 0.407 455 E N 0.765 120.886 120.200 -0.131 0.000 2.085 455 E HA -0.246 4.103 4.350 -0.001 0.000 0.194 455 E C 2.100 178.657 176.600 -0.072 0.000 0.994 455 E CA 1.319 57.669 56.400 -0.083 0.000 0.801 455 E CB -0.251 29.422 29.700 -0.044 0.000 0.743 455 E HN 0.484 nan 8.360 nan 0.000 0.453 456 E N 0.397 120.557 120.200 -0.068 0.000 2.051 456 E HA -0.243 4.106 4.350 -0.001 0.000 0.192 456 E C 1.931 178.494 176.600 -0.062 0.000 0.991 456 E CA 1.045 57.414 56.400 -0.051 0.000 0.799 456 E CB 0.102 29.776 29.700 -0.043 0.000 0.748 456 E HN -0.021 nan 8.360 nan 0.000 0.449 457 R N 0.255 120.706 120.500 -0.082 0.000 2.090 457 R HA 0.031 4.370 4.340 -0.001 0.000 0.228 457 R C 2.383 178.633 176.300 -0.085 0.000 1.110 457 R CA 0.794 56.846 56.100 -0.079 0.000 0.973 457 R CB -0.410 29.834 30.300 -0.093 0.000 0.869 457 R HN 0.267 nan 8.270 nan 0.000 0.440 458 L N -0.064 121.099 121.223 -0.100 0.000 2.093 458 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 458 L C 2.348 179.162 176.870 -0.093 0.000 1.085 458 L CA 1.443 56.225 54.840 -0.097 0.000 0.755 458 L CB -0.401 41.595 42.059 -0.105 0.000 0.904 458 L HN 0.297 nan 8.230 nan 0.000 0.435 459 E N 0.170 120.319 120.200 -0.084 0.000 2.077 459 E HA -0.300 4.050 4.350 -0.001 0.000 0.193 459 E C 2.218 178.754 176.600 -0.107 0.000 0.989 459 E CA 1.270 57.614 56.400 -0.093 0.000 0.800 459 E CB -0.001 29.665 29.700 -0.056 0.000 0.746 459 E HN 0.426 nan 8.360 nan 0.000 0.452 460 Q N -0.020 119.735 119.800 -0.075 0.000 2.050 460 Q HA -0.201 4.138 4.340 -0.001 0.000 0.202 460 Q C 2.077 178.033 176.000 -0.073 0.000 0.980 460 Q CA 1.590 57.356 55.803 -0.062 0.000 0.840 460 Q CB -0.213 28.502 28.738 -0.039 0.000 0.898 460 Q HN 0.353 nan 8.270 nan 0.000 0.424 461 A N 1.066 123.842 122.820 -0.075 0.000 1.902 461 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 461 A C 2.089 179.617 177.584 -0.094 0.000 1.181 461 A CA 1.361 53.356 52.037 -0.071 0.000 0.623 461 A CB -0.468 18.493 19.000 -0.065 0.000 0.818 461 A HN 0.362 nan 8.150 nan 0.000 0.443 462 R N -0.739 119.686 120.500 -0.126 0.000 2.096 462 R HA -0.082 4.258 4.340 -0.001 0.000 0.235 462 R C 2.431 178.587 176.300 -0.240 0.000 1.127 462 R CA 1.527 57.528 56.100 -0.166 0.000 0.968 462 R CB -0.271 29.917 30.300 -0.187 0.000 0.861 462 R HN 0.493 nan 8.270 nan 0.000 0.440 463 R N 0.327 120.656 120.500 -0.286 0.000 2.090 463 R HA -0.069 4.270 4.340 -0.001 0.000 0.228 463 R C 2.069 178.304 176.300 -0.108 0.000 1.110 463 R CA 0.938 56.804 56.100 -0.390 0.000 0.973 463 R CB -0.000 30.095 30.300 -0.340 0.000 0.869 463 R HN 0.200 nan 8.270 nan 0.000 0.440 464 E N 0.810 120.983 120.200 -0.045 0.000 2.107 464 E HA -0.164 4.185 4.350 -0.001 0.000 0.191 464 E C 1.980 178.612 176.600 0.054 0.000 0.982 464 E CA 0.734 57.152 56.400 0.030 0.000 0.809 464 E CB -0.193 29.517 29.700 0.017 0.000 0.756 464 E HN 0.152 nan 8.360 nan 0.000 0.459 465 L N 1.238 122.464 121.223 0.004 0.000 2.093 465 L HA -0.069 4.270 4.340 -0.001 0.000 0.208 465 L C 2.154 179.069 176.870 0.075 0.000 1.085 465 L CA 1.552 56.414 54.840 0.037 0.000 0.755 465 L CB -0.558 41.488 42.059 -0.021 0.000 0.904 465 L HN -0.103 nan 8.230 nan 0.000 0.435 466 S N -0.396 115.309 115.700 0.009 0.000 2.368 466 S HA -0.173 4.296 4.470 -0.001 0.000 0.225 466 S C 1.833 176.565 174.600 0.220 0.000 1.030 466 S CA 1.525 59.759 58.200 0.056 0.000 0.999 466 S CB -0.575 62.547 63.200 -0.129 0.000 0.844 466 S HN 0.471 nan 8.310 nan 0.000 0.459 467 L N 0.718 122.111 121.223 0.283 0.000 2.079 467 L HA 0.002 4.342 4.340 -0.001 0.000 0.210 467 L C 1.832 178.805 176.870 0.172 0.000 1.081 467 L CA 1.620 56.629 54.840 0.281 0.000 0.752 467 L CB -0.647 41.546 42.059 0.223 0.000 0.896 467 L HN 0.275 nan 8.230 nan 0.000 0.433 468 F N -0.226 119.693 119.950 -0.051 0.000 2.451 468 F HA -0.117 4.410 4.527 -0.001 0.000 0.299 468 F C 2.140 177.860 175.800 -0.133 0.000 1.101 468 F CA 0.872 58.734 58.000 -0.230 0.000 1.436 468 F CB -0.212 38.690 39.000 -0.163 0.000 1.074 468 F HN 0.260 nan 8.300 nan 0.000 0.553 469 Q N -0.481 119.288 119.800 -0.052 0.000 2.472 469 Q HA -0.115 4.224 4.340 -0.001 0.000 0.208 469 Q C 0.468 176.411 176.000 -0.096 0.000 0.958 469 Q CA 0.332 56.078 55.803 -0.095 0.000 0.932 469 Q CB -1.252 27.500 28.738 0.023 0.000 1.007 469 Q HN 0.486 nan 8.270 nan 0.000 0.508 470 H N 2.006 120.964 119.070 -0.188 0.000 3.073 470 H HA -0.115 4.441 4.556 -0.001 0.000 0.340 470 H C 1.329 176.497 175.328 -0.267 0.000 1.054 470 H CA 0.730 56.660 56.048 -0.197 0.000 1.372 470 H CB 0.578 30.242 29.762 -0.165 0.000 1.314 470 H HN 0.235 nan 8.280 nan 0.000 0.603 471 H N 1.989 120.638 119.070 -0.703 0.000 2.563 471 H HA -0.012 4.544 4.556 -0.001 0.000 0.272 471 H C -0.326 174.556 175.328 -0.743 0.000 1.005 471 H CA 0.727 56.323 56.048 -0.754 0.000 1.171 471 H CB 0.277 29.581 29.762 -0.764 0.000 1.351 471 H HN 0.601 nan 8.280 nan 0.000 0.602 472 D N 0.411 120.076 120.400 -1.225 0.000 2.479 472 D HA 0.131 4.770 4.640 -0.001 0.000 0.218 472 D C 1.597 177.863 176.300 -0.058 0.000 1.177 472 D CA 0.289 54.129 54.000 -0.266 0.000 0.830 472 D CB 0.825 41.720 40.800 0.159 0.000 1.014 472 D HN 0.525 nan 8.370 nan 0.000 0.503 473 G N 1.257 109.804 108.800 -0.421 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 1.348 175.630 174.900 -1.030 0.000 1.520 473 G CA -0.219 44.378 45.100 -0.837 0.000 0.930 473 G HN 0.203 nan 8.290 nan 0.000 0.547 474 I N 1.975 121.656 120.570 -1.481 0.000 2.423 474 I HA -0.193 3.976 4.170 -0.001 0.000 0.254 474 I C 2.874 178.886 176.117 -0.175 0.000 1.151 474 I CA 2.089 62.843 61.300 -0.910 0.000 1.421 474 I CB -0.042 37.618 38.000 -0.566 0.000 1.079 474 I HN 0.382 nan 8.210 nan 0.000 0.431 475 T N -1.684 112.817 114.554 -0.089 0.000 3.007 475 T HA 0.028 4.377 4.350 -0.001 0.000 0.270 475 T C 1.554 176.396 174.700 0.237 0.000 1.107 475 T CA 0.619 62.858 62.100 0.233 0.000 1.118 475 T CB -0.532 68.470 68.868 0.223 0.000 0.889 475 T HN 0.641 nan 8.240 nan 0.000 0.506 476 G N 1.511 110.405 108.800 0.157 0.000 2.176 476 G HA2 -0.273 3.686 3.960 -0.001 0.000 0.252 476 G HA3 -0.273 3.686 3.960 -0.001 0.000 0.252 476 G C 0.567 175.539 174.900 0.119 0.000 1.024 476 G CA 0.661 45.877 45.100 0.194 0.000 0.755 476 G HN 1.137 nan 8.290 nan 0.000 0.507 477 T N -3.326 111.285 114.554 0.095 0.000 3.214 477 T HA 0.738 5.087 4.350 -0.001 0.000 0.264 477 T C 0.873 175.759 174.700 0.310 0.000 1.012 477 T CA 1.019 63.103 62.100 -0.026 0.000 0.901 477 T CB 0.951 69.613 68.868 -0.343 0.000 1.070 477 T HN 1.551 nan 8.240 nan 0.000 0.561 478 A N 1.242 124.264 122.820 0.337 0.000 2.269 478 A HA 0.690 5.010 4.320 -0.001 0.000 0.327 478 A C 0.184 177.871 177.584 0.172 0.000 1.112 478 A CA -0.962 51.312 52.037 0.395 0.000 0.865 478 A CB 0.868 20.131 19.000 0.439 0.000 1.227 478 A HN 0.401 nan 8.150 nan 0.000 0.498 479 K N -0.203 120.228 120.400 0.052 0.000 2.276 479 K HA 0.142 4.461 4.320 -0.001 0.000 0.259 479 K C 1.059 177.670 176.600 0.019 0.000 1.001 479 K CA 0.356 56.652 56.287 0.016 0.000 0.927 479 K CB 0.375 32.874 32.500 -0.000 0.000 0.969 479 K HN 0.732 nan 8.250 nan 0.000 0.490 480 T N 1.385 115.982 114.554 0.072 0.000 2.699 480 T HA -0.204 4.146 4.350 -0.001 0.000 0.268 480 T C 1.656 176.394 174.700 0.063 0.000 1.036 480 T CA 1.823 63.968 62.100 0.076 0.000 1.147 480 T CB -0.404 68.519 68.868 0.090 0.000 0.862 480 T HN 0.683 nan 8.240 nan 0.000 0.446 481 H N 0.424 119.494 119.070 -0.001 0.000 2.495 481 H HA 0.105 4.660 4.556 -0.001 0.000 0.287 481 H C 2.014 177.319 175.328 -0.038 0.000 1.033 481 H CA 0.858 56.897 56.048 -0.015 0.000 1.307 481 H CB -0.738 29.011 29.762 -0.022 0.000 1.401 481 H HN 0.280 nan 8.280 nan 0.000 0.555 482 V N 1.159 120.727 119.914 -0.577 0.000 2.488 482 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 482 V C 3.020 178.936 176.094 -0.298 0.000 1.046 482 V CA 1.030 63.022 62.300 -0.514 0.000 1.053 482 V CB -0.388 31.176 31.823 -0.432 0.000 0.679 482 V HN 0.225 nan 8.190 nan 0.000 0.458 483 V N 0.090 119.963 119.914 -0.068 0.000 2.332 483 V HA -0.250 3.869 4.120 -0.001 0.000 0.248 483 V C 2.474 178.554 176.094 -0.023 0.000 1.055 483 V CA 2.022 64.340 62.300 0.029 0.000 1.038 483 V CB -0.574 31.227 31.823 -0.037 0.000 0.651 483 V HN 0.416 nan 8.190 nan 0.000 0.450 484 V N 0.450 120.356 119.914 -0.013 0.000 2.332 484 V HA -0.325 3.794 4.120 -0.001 0.000 0.248 484 V C 2.320 178.435 176.094 0.035 0.000 1.055 484 V CA 2.512 64.836 62.300 0.040 0.000 1.038 484 V CB -0.728 31.128 31.823 0.056 0.000 0.651 484 V HN 0.656 nan 8.190 nan 0.000 0.450 485 D N -1.137 119.238 120.400 -0.041 0.000 2.117 485 D HA -0.208 4.432 4.640 -0.001 0.000 0.197 485 D C 1.995 178.313 176.300 0.030 0.000 0.987 485 D CA 1.493 55.467 54.000 -0.044 0.000 0.829 485 D CB -0.165 40.549 40.800 -0.144 0.000 0.961 485 D HN 0.498 nan 8.370 nan 0.000 0.460 486 Y N 0.916 121.259 120.300 0.072 0.000 2.224 486 Y HA -0.046 4.503 4.550 -0.001 0.000 0.289 486 Y C 2.413 178.293 175.900 -0.033 0.000 1.146 486 Y CA 1.248 59.387 58.100 0.065 0.000 1.182 486 Y CB -0.724 37.846 38.460 0.183 0.000 0.983 486 Y HN 0.153 nan 8.280 nan 0.000 0.524 487 E N 0.083 120.391 120.200 0.180 0.000 2.072 487 E HA -0.245 4.105 4.350 -0.001 0.000 0.191 487 E C 1.956 178.646 176.600 0.150 0.000 0.985 487 E CA 1.324 57.848 56.400 0.206 0.000 0.801 487 E CB -0.030 29.879 29.700 0.348 0.000 0.750 487 E HN 0.572 nan 8.360 nan 0.000 0.452 488 Q N -0.059 119.814 119.800 0.123 0.000 2.084 488 Q HA -0.146 4.194 4.340 -0.001 0.000 0.202 488 Q C 2.326 178.373 176.000 0.078 0.000 0.978 488 Q CA 1.302 57.161 55.803 0.094 0.000 0.844 488 Q CB -0.061 28.721 28.738 0.074 0.000 0.898 488 Q HN 0.193 nan 8.270 nan 0.000 0.426 489 R N 0.105 120.656 120.500 0.084 0.000 2.081 489 R HA -0.067 4.272 4.340 -0.001 0.000 0.235 489 R C 2.266 178.590 176.300 0.041 0.000 1.131 489 R CA 1.437 57.579 56.100 0.069 0.000 0.960 489 R CB -0.163 30.201 30.300 0.107 0.000 0.856 489 R HN 0.290 nan 8.270 nan 0.000 0.436 490 M N -0.005 119.608 119.600 0.022 0.000 2.229 490 M HA -0.173 4.306 4.480 -0.001 0.000 0.264 490 M C 2.308 178.614 176.300 0.011 0.000 1.063 490 M CA 1.356 56.641 55.300 -0.027 0.000 1.114 490 M CB -0.115 32.409 32.600 -0.126 0.000 1.387 490 M HN 0.048 nan 8.290 nan 0.000 0.420 491 Q N 0.949 120.785 119.800 0.060 0.000 2.084 491 Q HA -0.172 4.167 4.340 -0.001 0.000 0.202 491 Q C 1.722 177.746 176.000 0.040 0.000 0.978 491 Q CA 1.635 57.486 55.803 0.080 0.000 0.844 491 Q CB -0.073 28.730 28.738 0.107 0.000 0.898 491 Q HN 0.336 nan 8.270 nan 0.000 0.426 492 E N -0.186 120.032 120.200 0.031 0.000 2.106 492 E HA -0.112 4.238 4.350 -0.001 0.000 0.192 492 E C 1.823 178.421 176.600 -0.004 0.000 0.984 492 E CA 1.089 57.497 56.400 0.014 0.000 0.806 492 E CB -0.418 29.292 29.700 0.018 0.000 0.750 492 E HN 0.472 nan 8.360 nan 0.000 0.458 493 A N 1.189 124.004 122.820 -0.008 0.000 1.902 493 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 493 A C 2.385 179.946 177.584 -0.037 0.000 1.181 493 A CA 1.002 53.024 52.037 -0.026 0.000 0.623 493 A CB -0.690 18.292 19.000 -0.030 0.000 0.818 493 A HN 0.180 nan 8.150 nan 0.000 0.443 494 L N -0.642 120.559 121.223 -0.036 0.000 2.046 494 L HA -0.220 4.120 4.340 -0.001 0.000 0.208 494 L C 2.585 179.400 176.870 -0.092 0.000 1.077 494 L CA 1.715 56.511 54.840 -0.072 0.000 0.747 494 L CB -0.427 41.601 42.059 -0.051 0.000 0.896 494 L HN 0.365 nan 8.230 nan 0.000 0.432 495 K N -0.034 120.337 120.400 -0.048 0.000 2.057 495 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 495 K C 2.240 178.814 176.600 -0.043 0.000 1.049 495 K CA 1.360 57.621 56.287 -0.043 0.000 0.931 495 K CB -0.265 32.224 32.500 -0.018 0.000 0.714 495 K HN 0.293 nan 8.250 nan 0.000 0.440 496 A N 1.136 123.931 122.820 -0.041 0.000 1.902 496 A HA -0.181 4.138 4.320 -0.001 0.000 0.217 496 A C 2.445 179.997 177.584 -0.054 0.000 1.181 496 A CA 1.455 53.465 52.037 -0.045 0.000 0.623 496 A CB -0.965 18.008 19.000 -0.046 0.000 0.818 496 A HN 0.400 nan 8.150 nan 0.000 0.443 497 C N -1.012 118.253 119.300 -0.058 0.000 2.432 497 C HA -0.129 4.330 4.460 -0.001 0.000 0.277 497 C C 2.876 177.840 174.990 -0.043 0.000 1.249 497 C CA 1.298 60.286 59.018 -0.049 0.000 1.725 497 C CB -1.270 26.451 27.740 -0.032 0.000 2.028 497 C HN 0.796 nan 8.230 nan 0.000 0.477 498 Q N 0.254 120.002 119.800 -0.085 0.000 2.096 498 Q HA -0.284 4.055 4.340 -0.001 0.000 0.204 498 Q C 2.154 178.182 176.000 0.047 0.000 0.982 498 Q CA 2.099 57.877 55.803 -0.041 0.000 0.850 498 Q CB -0.280 28.406 28.738 -0.086 0.000 0.901 498 Q HN 0.594 nan 8.270 nan 0.000 0.422 499 M N -0.107 119.502 119.600 0.014 0.000 2.080 499 M HA -0.141 4.338 4.480 -0.001 0.000 0.260 499 M C 1.847 178.154 176.300 0.012 0.000 1.068 499 M CA 1.616 56.933 55.300 0.030 0.000 1.109 499 M CB -0.520 32.081 32.600 0.001 0.000 1.342 499 M HN 0.136 nan 8.290 nan 0.000 0.405 500 V N 0.312 120.195 119.914 -0.052 0.000 2.295 500 V HA -0.308 3.811 4.120 -0.001 0.000 0.246 500 V C 2.450 178.501 176.094 -0.071 0.000 1.049 500 V CA 2.241 64.457 62.300 -0.139 0.000 1.024 500 V CB -0.739 30.981 31.823 -0.172 0.000 0.648 500 V HN 0.568 nan 8.190 nan 0.000 0.447 501 M N 0.286 119.906 119.600 0.033 0.000 2.080 501 M HA -0.283 4.196 4.480 -0.001 0.000 0.260 501 M C 2.398 178.746 176.300 0.080 0.000 1.068 501 M CA 2.521 57.889 55.300 0.112 0.000 1.109 501 M CB -0.520 32.278 32.600 0.329 0.000 1.342 501 M HN 0.556 nan 8.290 nan 0.000 0.405 502 Q N -0.192 119.735 119.800 0.211 0.000 2.123 502 Q HA -0.127 4.212 4.340 -0.001 0.000 0.199 502 Q C 1.821 178.002 176.000 0.302 0.000 0.966 502 Q CA 1.150 57.104 55.803 0.251 0.000 0.845 502 Q CB -0.627 28.369 28.738 0.430 0.000 0.907 502 Q HN 0.427 nan 8.270 nan 0.000 0.439 503 Q N 0.612 120.577 119.800 0.276 0.000 2.124 503 Q HA -0.074 4.265 4.340 -0.001 0.000 0.202 503 Q C 2.281 178.519 176.000 0.398 0.000 0.977 503 Q CA 1.710 57.748 55.803 0.391 0.000 0.850 503 Q CB -0.197 28.684 28.738 0.237 0.000 0.901 503 Q HN 0.515 nan 8.270 nan 0.000 0.429 504 S N 0.432 116.249 115.700 0.194 0.000 2.368 504 S HA -0.093 4.376 4.470 -0.001 0.000 0.225 504 S C 2.229 176.868 174.600 0.066 0.000 1.030 504 S CA 1.094 59.460 58.200 0.276 0.000 0.999 504 S CB -0.251 63.046 63.200 0.162 0.000 0.844 504 S HN 0.133 nan 8.310 nan 0.000 0.459 505 V N 0.899 120.720 119.914 -0.154 0.000 2.343 505 V HA -0.199 3.920 4.120 -0.001 0.000 0.247 505 V C 2.027 178.075 176.094 -0.077 0.000 1.051 505 V CA 1.900 63.980 62.300 -0.365 0.000 1.036 505 V CB -0.805 30.391 31.823 -1.046 0.000 0.654 505 V HN 0.557 nan 8.190 nan 0.000 0.451 506 Y N 1.328 121.662 120.300 0.057 0.000 2.165 506 Y HA -0.256 4.293 4.550 -0.001 0.000 0.286 506 Y C 2.722 178.687 175.900 0.109 0.000 1.155 506 Y CA 2.223 60.443 58.100 0.199 0.000 1.164 506 Y CB -0.348 38.144 38.460 0.052 0.000 0.978 506 Y HN 0.109 nan 8.280 nan 0.000 0.513 507 R N -0.183 120.191 120.500 -0.209 0.000 2.090 507 R HA -0.074 4.265 4.340 -0.001 0.000 0.228 507 R C 2.134 178.097 176.300 -0.561 0.000 1.110 507 R CA 1.463 57.096 56.100 -0.779 0.000 0.973 507 R CB -0.342 29.509 30.300 -0.748 0.000 0.869 507 R HN 0.452 nan 8.270 nan 0.000 0.440 508 L N 0.305 121.347 121.223 -0.303 0.000 2.291 508 L HA -0.052 4.287 4.340 -0.001 0.000 0.214 508 L C 1.342 178.081 176.870 -0.219 0.000 1.120 508 L CA 0.769 55.394 54.840 -0.358 0.000 0.799 508 L CB 0.138 41.825 42.059 -0.621 0.000 0.925 508 L HN 0.233 nan 8.230 nan 0.000 0.446 509 L N -1.186 120.009 121.223 -0.046 0.000 3.066 509 L HA 0.224 4.563 4.340 -0.001 0.000 0.265 509 L C -0.240 176.721 176.870 0.152 0.000 1.232 509 L CA -0.110 54.807 54.840 0.129 0.000 1.031 509 L CB 0.506 42.803 42.059 0.396 0.000 1.379 509 L HN -0.014 nan 8.230 nan 0.000 0.563 510 T N 0.060 114.608 114.554 -0.010 0.000 2.807 510 T HA 0.188 4.537 4.350 -0.001 0.000 0.279 510 T C -0.147 174.494 174.700 -0.099 0.000 0.993 510 T CA -0.575 61.514 62.100 -0.017 0.000 0.970 510 T CB 2.341 71.171 68.868 -0.064 0.000 0.950 510 T HN 0.032 nan 8.240 nan 0.000 0.441 511 K N 3.987 124.342 120.400 -0.076 0.000 2.504 511 K HA -0.022 4.297 4.320 -0.001 0.000 0.278 511 K C -1.708 174.871 176.600 -0.036 0.000 1.025 511 K CA -0.928 55.322 56.287 -0.061 0.000 1.093 511 K CB 0.428 32.897 32.500 -0.052 0.000 0.873 511 K HN 0.166 nan 8.250 nan 0.000 0.483 512 P HA -0.177 nan 4.420 nan 0.000 0.218 512 P C 0.635 177.954 177.300 0.031 0.000 1.148 512 P CA 1.338 64.422 63.100 -0.027 0.000 0.822 512 P CB 0.155 31.830 31.700 -0.041 0.000 0.784 513 S N -2.192 113.517 115.700 0.015 0.000 2.603 513 S HA 0.089 4.559 4.470 -0.001 0.000 0.220 513 S C 1.563 176.181 174.600 0.029 0.000 0.967 513 S CA 0.382 58.594 58.200 0.020 0.000 0.920 513 S CB -1.085 62.119 63.200 0.006 0.000 0.773 513 S HN 0.113 nan 8.310 nan 0.000 0.529 514 I N -0.906 119.692 120.570 0.047 0.000 4.032 514 I HA 0.227 4.396 4.170 -0.001 0.000 0.313 514 I C 0.449 176.627 176.117 0.101 0.000 1.272 514 I CA -0.462 60.875 61.300 0.062 0.000 1.307 514 I CB -0.007 38.027 38.000 0.056 0.000 1.155 514 I HN 0.246 nan 8.210 nan 0.000 0.431 515 Y N 3.001 123.267 120.300 -0.057 0.000 2.804 515 Y HA -0.031 4.518 4.550 -0.001 0.000 0.338 515 Y C 0.497 176.384 175.900 -0.022 0.000 1.252 515 Y CA 0.003 58.033 58.100 -0.117 0.000 1.576 515 Y CB 0.387 38.701 38.460 -0.243 0.000 1.223 515 Y HN -0.102 nan 8.280 nan 0.000 0.536 516 S N 8.869 124.379 115.700 -0.318 0.000 2.204 516 S HA 0.366 4.835 4.470 -0.001 0.000 0.147 516 S C -2.845 171.559 174.600 -0.326 0.000 1.711 516 S CA -1.206 56.808 58.200 -0.310 0.000 1.274 516 S CB -0.122 63.030 63.200 -0.080 0.000 1.257 516 S HN 0.648 nan 8.310 nan 0.000 0.404 517 P HA 0.324 nan 4.420 nan 0.000 0.279 517 P C -1.141 175.805 177.300 -0.589 0.000 1.239 517 P CA -0.197 62.636 63.100 -0.445 0.000 0.789 517 P CB 0.793 32.146 31.700 -0.578 0.000 0.933 518 D N 2.108 122.216 120.400 -0.486 0.000 2.344 518 D HA 0.154 4.793 4.640 -0.001 0.000 0.239 518 D C 0.212 176.289 176.300 -0.370 0.000 1.064 518 D CA -0.569 52.961 54.000 -0.783 0.000 0.829 518 D CB 0.639 40.386 40.800 -1.755 0.000 1.129 518 D HN 0.058 nan 8.370 nan 0.000 0.506 519 F N 1.592 121.504 119.950 -0.064 0.000 2.771 519 F HA -0.062 4.464 4.527 -0.001 0.000 0.299 519 F C 2.463 178.290 175.800 0.046 0.000 1.177 519 F CA 0.320 58.357 58.000 0.062 0.000 1.450 519 F CB -0.306 38.736 39.000 0.071 0.000 1.114 519 F HN 0.321 nan 8.300 nan 0.000 0.587 520 S N -1.655 114.131 115.700 0.144 0.000 2.517 520 S HA 0.120 4.589 4.470 -0.001 0.000 0.214 520 S C 0.541 175.277 174.600 0.227 0.000 0.991 520 S CA -0.226 58.070 58.200 0.159 0.000 0.906 520 S CB -0.458 62.825 63.200 0.138 0.000 0.789 520 S HN -0.070 nan 8.310 nan 0.000 0.513 521 F N 2.956 122.827 119.950 -0.132 0.000 2.410 521 F HA 0.545 5.071 4.527 -0.001 0.000 0.334 521 F C 0.987 176.530 175.800 -0.429 0.000 1.134 521 F CA -1.756 56.008 58.000 -0.394 0.000 1.227 521 F CB 1.187 39.735 39.000 -0.754 0.000 1.194 521 F HN 0.093 nan 8.300 nan 0.000 0.571 522 S N 2.960 118.457 115.700 -0.337 0.000 2.466 522 S HA 0.262 4.731 4.470 -0.001 0.000 0.313 522 S C 0.482 174.783 174.600 -0.497 0.000 1.078 522 S CA -0.401 57.634 58.200 -0.276 0.000 1.115 522 S CB -0.349 62.738 63.200 -0.188 0.000 1.006 522 S HN 0.432 nan 8.310 nan 0.000 0.487 523 Y N 3.917 124.096 120.300 -0.202 0.000 2.365 523 Y HA 0.322 4.872 4.550 -0.001 0.000 0.293 523 Y C 0.245 175.636 175.900 -0.849 0.000 1.119 523 Y CA 0.410 58.171 58.100 -0.565 0.000 1.203 523 Y CB 0.213 38.402 38.460 -0.452 0.000 1.026 523 Y HN 0.580 nan 8.280 nan 0.000 0.549 524 F N -1.302 118.652 119.950 0.006 0.000 2.613 524 F HA 0.496 5.023 4.527 -0.001 0.000 0.314 524 F C -0.067 175.802 175.800 0.114 0.000 1.075 524 F CA -1.516 56.537 58.000 0.088 0.000 0.945 524 F CB 1.620 40.797 39.000 0.294 0.000 1.310 524 F HN -0.392 nan 8.300 nan 0.000 0.467 525 T N -0.176 114.569 114.554 0.317 0.000 2.885 525 T HA 0.719 5.068 4.350 -0.001 0.000 0.285 525 T C -0.679 174.135 174.700 0.189 0.000 1.019 525 T CA -0.847 61.370 62.100 0.194 0.000 1.010 525 T CB 1.293 70.211 68.868 0.083 0.000 1.022 525 T HN 0.516 nan 8.240 nan 0.000 0.466 526 L N 1.915 123.155 121.223 0.029 0.000 2.397 526 L HA 0.433 4.772 4.340 -0.001 0.000 0.271 526 L C 0.069 176.907 176.870 -0.054 0.000 1.148 526 L CA -0.306 54.446 54.840 -0.148 0.000 0.825 526 L CB 0.674 42.566 42.059 -0.278 0.000 1.117 526 L HN 0.805 nan 8.230 nan 0.000 0.456 527 D N 1.551 121.921 120.400 -0.050 0.000 2.408 527 D HA 0.220 4.859 4.640 -0.001 0.000 0.243 527 D C -1.267 174.975 176.300 -0.097 0.000 1.075 527 D CA -0.384 53.589 54.000 -0.045 0.000 0.832 527 D CB 1.206 42.020 40.800 0.024 0.000 1.162 527 D HN 0.283 nan 8.370 nan 0.000 0.515 528 D N 2.384 122.738 120.400 -0.077 0.000 2.481 528 D HA 0.196 4.835 4.640 -0.001 0.000 0.246 528 D C 0.126 176.376 176.300 -0.084 0.000 1.109 528 D CA -0.453 53.531 54.000 -0.025 0.000 0.845 528 D CB 1.888 42.764 40.800 0.127 0.000 1.160 528 D HN 0.252 nan 8.370 nan 0.000 0.534 529 S N 2.655 118.279 115.700 -0.127 0.000 2.481 529 S HA 0.007 4.477 4.470 -0.001 0.000 0.231 529 S C 1.372 175.932 174.600 -0.067 0.000 0.996 529 S CA 0.632 58.746 58.200 -0.143 0.000 0.942 529 S CB 0.360 63.465 63.200 -0.159 0.000 0.768 529 S HN 0.495 nan 8.310 nan 0.000 0.520 530 R N -0.740 119.754 120.500 -0.009 0.000 2.535 530 R HA 0.221 4.561 4.340 -0.001 0.000 0.323 530 R C -0.657 175.728 176.300 0.141 0.000 0.979 530 R CA -0.111 56.008 56.100 0.032 0.000 1.120 530 R CB 0.798 31.106 30.300 0.014 0.000 1.306 530 R HN 0.343 nan 8.270 nan 0.000 0.540 531 W N 1.306 122.568 121.300 -0.063 0.000 3.259 531 W HA 0.293 4.952 4.660 -0.001 0.000 0.331 531 W C -2.880 173.613 176.519 -0.043 0.000 1.144 531 W CA -1.977 55.332 57.345 -0.061 0.000 1.227 531 W CB 1.800 31.236 29.460 -0.041 0.000 1.371 531 W HN -0.195 nan 8.180 nan 0.000 0.491 532 P HA 0.097 nan 4.420 nan 0.000 0.226 532 P C 0.346 177.302 177.300 -0.573 0.000 1.153 532 P CA 1.702 63.953 63.100 -1.415 0.000 0.777 532 P CB 0.259 31.330 31.700 -1.049 0.000 0.794 533 G N -1.022 107.603 108.800 -0.292 0.000 2.650 533 G HA2 -0.083 3.876 3.960 -0.001 0.000 0.686 533 G HA3 -0.083 3.876 3.960 -0.001 0.000 0.686 533 G C -0.415 174.427 174.900 -0.097 0.000 1.205 533 G CA -0.530 44.487 45.100 -0.138 0.000 0.781 533 G HN 0.089 nan 8.290 nan 0.000 0.648 534 S N 0.171 115.854 115.700 -0.028 0.000 2.546 534 S HA 0.505 4.974 4.470 -0.001 0.000 0.290 534 S C 1.865 176.466 174.600 0.002 0.000 1.290 534 S CA 2.053 60.268 58.200 0.025 0.000 1.069 534 S CB 0.194 63.451 63.200 0.095 0.000 0.846 534 S HN 2.686 nan 8.310 nan 0.000 0.495 535 G N 2.737 111.537 108.800 0.001 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 0.567 175.443 174.900 -0.040 0.000 0.977 535 G CA 0.398 45.488 45.100 -0.017 0.000 0.641 535 G HN 0.874 nan 8.290 nan 0.000 0.533 536 V N -0.723 119.152 119.914 -0.066 0.000 2.806 536 V HA 0.473 4.593 4.120 -0.001 0.000 0.239 536 V C 0.738 176.772 176.094 -0.100 0.000 1.113 536 V CA 1.676 63.921 62.300 -0.092 0.000 1.137 536 V CB 1.031 32.765 31.823 -0.147 0.000 0.865 536 V HN 0.459 nan 8.190 nan 0.000 0.482 537 E N 0.262 120.396 120.200 -0.109 0.000 2.343 537 E HA 0.157 4.506 4.350 -0.001 0.000 0.286 537 E C -1.675 174.891 176.600 -0.057 0.000 0.915 537 E CA -0.433 55.912 56.400 -0.091 0.000 0.784 537 E CB 1.562 31.177 29.700 -0.142 0.000 1.251 537 E HN 0.189 nan 8.360 nan 0.000 0.407 538 D N 3.172 123.562 120.400 -0.017 0.000 2.508 538 D HA 0.042 4.682 4.640 -0.001 0.000 0.224 538 D C 0.369 176.670 176.300 0.001 0.000 1.171 538 D CA 0.271 54.281 54.000 0.016 0.000 1.006 538 D CB 0.355 41.179 40.800 0.040 0.000 1.073 538 D HN 0.396 nan 8.370 nan 0.000 0.513 539 S N 2.508 118.193 115.700 -0.025 0.000 2.505 539 S HA 0.159 4.629 4.470 -0.001 0.000 0.216 539 S C 0.942 175.526 174.600 -0.026 0.000 1.018 539 S CA -0.434 57.747 58.200 -0.032 0.000 0.911 539 S CB 0.418 63.582 63.200 -0.060 0.000 0.818 539 S HN 0.239 nan 8.310 nan 0.000 0.497 540 R N 3.119 123.595 120.500 -0.040 0.000 2.442 540 R HA 0.270 4.609 4.340 -0.001 0.000 0.291 540 R C 0.255 176.563 176.300 0.014 0.000 1.069 540 R CA 0.356 56.407 56.100 -0.082 0.000 1.022 540 R CB 0.569 30.688 30.300 -0.303 0.000 0.976 540 R HN 0.504 nan 8.270 nan 0.000 0.443 541 T N 0.009 114.580 114.554 0.028 0.000 2.907 541 T HA 0.123 4.472 4.350 -0.001 0.000 0.298 541 T C 0.288 175.079 174.700 0.151 0.000 1.017 541 T CA -0.572 61.577 62.100 0.082 0.000 1.118 541 T CB 1.212 70.123 68.868 0.072 0.000 0.948 541 T HN 0.364 nan 8.240 nan 0.000 0.531 542 T N 4.350 119.006 114.554 0.169 0.000 2.806 542 T HA 0.403 4.752 4.350 -0.001 0.000 0.290 542 T C 0.457 175.259 174.700 0.171 0.000 0.966 542 T CA -0.515 61.712 62.100 0.212 0.000 1.060 542 T CB 0.261 69.224 68.868 0.159 0.000 0.927 542 T HN 0.596 nan 8.240 nan 0.000 0.485 543 I N 4.031 124.723 120.570 0.204 0.000 2.436 543 I HA 0.213 4.382 4.170 -0.001 0.000 0.289 543 I C 0.117 176.319 176.117 0.142 0.000 1.083 543 I CA -0.023 61.374 61.300 0.163 0.000 1.372 543 I CB 0.285 38.385 38.000 0.167 0.000 1.408 543 I HN 0.443 nan 8.210 nan 0.000 0.516 544 I N 8.036 128.674 120.570 0.112 0.000 2.312 544 I HA 0.371 4.540 4.170 -0.001 0.000 0.290 544 I C -0.273 175.903 176.117 0.097 0.000 1.008 544 I CA -0.254 61.106 61.300 0.099 0.000 1.226 544 I CB 0.668 38.712 38.000 0.074 0.000 1.371 544 I HN 0.382 nan 8.210 nan 0.000 0.468 545 L N 5.635 126.921 121.223 0.105 0.000 2.354 545 L HA 0.954 5.293 4.340 -0.001 0.000 0.264 545 L C 0.034 176.961 176.870 0.095 0.000 1.008 545 L CA -0.693 54.208 54.840 0.101 0.000 0.819 545 L CB 2.323 44.448 42.059 0.111 0.000 1.339 545 L HN 0.696 nan 8.230 nan 0.000 0.420 546 G N -0.125 108.726 108.800 0.085 0.000 2.556 546 G HA2 0.147 4.106 3.960 -0.001 0.000 0.294 546 G HA3 0.147 4.106 3.960 -0.001 0.000 0.294 546 G C -0.185 174.754 174.900 0.065 0.000 1.516 546 G CA -0.408 44.739 45.100 0.078 0.000 0.824 546 G HN 0.704 nan 8.290 nan 0.000 0.535 547 E N -0.131 120.105 120.200 0.060 0.000 2.160 547 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 547 E C 0.656 177.280 176.600 0.040 0.000 0.991 547 E CA 1.420 57.848 56.400 0.047 0.000 0.810 547 E CB 0.140 29.863 29.700 0.038 0.000 0.742 547 E HN 0.438 nan 8.360 nan 0.000 0.466 548 D N -0.229 120.194 120.400 0.040 0.000 2.342 548 D HA 0.111 4.751 4.640 -0.001 0.000 0.221 548 D C 1.200 177.521 176.300 0.035 0.000 1.101 548 D CA 0.138 54.158 54.000 0.033 0.000 0.837 548 D CB 0.835 41.652 40.800 0.029 0.000 0.938 548 D HN 0.338 nan 8.370 nan 0.000 0.508 549 I N -0.794 119.801 120.570 0.042 0.000 4.317 549 I HA 0.110 4.279 4.170 -0.001 0.000 0.289 549 I C -1.343 174.804 176.117 0.049 0.000 1.164 549 I CA 0.084 61.409 61.300 0.042 0.000 1.312 549 I CB 1.289 39.314 38.000 0.042 0.000 1.569 549 I HN -0.178 nan 8.210 nan 0.000 0.450 550 L N 1.984 123.243 121.223 0.060 0.000 2.830 550 L HA 0.461 4.800 4.340 -0.001 0.000 0.259 550 L C -2.586 174.331 176.870 0.079 0.000 0.943 550 L CA -0.836 54.047 54.840 0.072 0.000 0.997 550 L CB 1.506 43.612 42.059 0.078 0.000 1.427 550 L HN -0.179 nan 8.230 nan 0.000 0.456 551 P HA 0.107 nan 4.420 nan 0.000 0.227 551 P C -0.249 177.104 177.300 0.089 0.000 1.161 551 P CA 0.843 63.989 63.100 0.077 0.000 0.788 551 P CB 0.344 32.083 31.700 0.066 0.000 0.822 552 S N -2.305 113.460 115.700 0.107 0.000 2.625 552 S HA 0.746 5.215 4.470 -0.001 0.000 0.271 552 S C -1.278 173.425 174.600 0.172 0.000 1.161 552 S CA -0.728 57.545 58.200 0.122 0.000 0.820 552 S CB 2.421 65.688 63.200 0.111 0.000 1.137 552 S HN -0.131 nan 8.310 nan 0.000 0.470 553 K N 0.474 120.986 120.400 0.186 0.000 2.535 553 K HA 0.563 4.882 4.320 -0.001 0.000 0.251 553 K C -2.045 174.737 176.600 0.302 0.000 0.942 553 K CA -0.237 56.206 56.287 0.261 0.000 0.798 553 K CB 0.958 33.567 32.500 0.182 0.000 1.267 553 K HN 0.832 nan 8.250 nan 0.000 0.434 554 H N 0.947 120.166 119.070 0.248 0.000 2.610 554 H HA 0.448 5.004 4.556 -0.001 0.000 0.336 554 H C -0.227 175.328 175.328 0.379 0.000 1.087 554 H CA -0.095 56.148 56.048 0.323 0.000 1.405 554 H CB 1.022 31.068 29.762 0.473 0.000 1.460 554 H HN 0.412 nan 8.280 nan 0.000 0.538 555 V N 1.054 121.214 119.914 0.410 0.000 2.914 555 V HA 0.791 4.910 4.120 -0.001 0.000 0.314 555 V C -0.711 175.717 176.094 0.557 0.000 1.084 555 V CA -0.866 61.683 62.300 0.414 0.000 0.963 555 V CB 2.132 33.949 31.823 -0.010 0.000 1.025 555 V HN 0.456 nan 8.190 nan 0.000 0.432 556 V N 3.766 124.040 119.914 0.600 0.000 2.686 556 V HA 0.631 4.750 4.120 -0.001 0.000 0.306 556 V C -0.530 175.927 176.094 0.605 0.000 1.065 556 V CA -0.351 62.268 62.300 0.533 0.000 0.894 556 V CB 1.897 33.894 31.823 0.289 0.000 1.004 556 V HN 0.947 nan 8.190 nan 0.000 0.424 557 M N 4.043 123.968 119.600 0.541 0.000 2.404 557 M HA 0.504 4.984 4.480 -0.001 0.000 0.338 557 M C -0.505 176.076 176.300 0.468 0.000 1.150 557 M CA -0.275 55.318 55.300 0.489 0.000 1.016 557 M CB 1.245 34.074 32.600 0.381 0.000 1.672 557 M HN 0.756 nan 8.290 nan 0.000 0.448 558 H N 1.805 121.105 119.070 0.383 0.000 2.492 558 H HA 0.502 5.057 4.556 -0.001 0.000 0.345 558 H C -1.344 174.120 175.328 0.227 0.000 1.136 558 H CA -0.601 55.636 56.048 0.316 0.000 1.202 558 H CB 1.229 31.250 29.762 0.431 0.000 1.524 558 H HN 0.654 nan 8.280 nan 0.000 0.506 559 N N 2.925 121.396 118.700 -0.381 0.000 2.569 559 N HA 0.039 4.779 4.740 -0.001 0.000 0.254 559 N C 0.231 175.417 175.510 -0.540 0.000 1.004 559 N CA -0.321 52.517 53.050 -0.353 0.000 0.904 559 N CB 1.625 40.007 38.487 -0.176 0.000 1.165 559 N HN 0.626 nan 8.380 nan 0.000 0.513 560 T N 2.841 117.131 114.554 -0.440 0.000 3.085 560 T HA 0.181 4.530 4.350 -0.001 0.000 0.263 560 T C 0.649 175.308 174.700 -0.069 0.000 1.127 560 T CA 0.472 62.464 62.100 -0.182 0.000 1.103 560 T CB -0.237 68.661 68.868 0.050 0.000 0.921 560 T HN 0.420 nan 8.240 nan 0.000 0.510 561 L N 2.699 123.828 121.223 -0.157 0.000 2.395 561 L HA 0.332 4.671 4.340 -0.001 0.000 0.269 561 L C -1.635 175.089 176.870 -0.243 0.000 1.133 561 L CA -2.021 52.692 54.840 -0.212 0.000 0.812 561 L CB 0.728 42.532 42.059 -0.425 0.000 1.125 561 L HN -0.063 nan 8.230 nan 0.000 0.452 562 P HA 0.057 nan 4.420 nan 0.000 0.243 562 P C -0.965 176.359 177.300 0.040 0.000 1.668 562 P CA 0.323 63.417 63.100 -0.010 0.000 0.898 562 P CB -0.345 31.406 31.700 0.085 0.000 1.637 563 H N -3.250 115.834 119.070 0.023 0.000 3.016 563 H HA 0.250 4.805 4.556 -0.001 0.000 0.362 563 H C -0.994 174.353 175.328 0.031 0.000 1.233 563 H CA -1.071 55.010 56.048 0.055 0.000 1.124 563 H CB 0.015 29.838 29.762 0.102 0.000 1.850 563 H HN -0.133 nan 8.280 nan 0.000 0.549 564 W N 1.604 123.020 121.300 0.192 0.000 2.257 564 W HA 0.236 4.895 4.660 -0.001 0.000 0.337 564 W C 0.890 177.516 176.519 0.178 0.000 1.321 564 W CA 0.449 57.871 57.345 0.129 0.000 1.267 564 W CB 0.451 29.977 29.460 0.109 0.000 1.187 564 W HN 0.496 nan 8.180 nan 0.000 0.565 565 R N 2.295 122.998 120.500 0.339 0.000 2.604 565 R HA 0.291 4.630 4.340 -0.001 0.000 0.281 565 R C -1.065 175.371 176.300 0.225 0.000 1.020 565 R CA -0.666 55.586 56.100 0.254 0.000 0.899 565 R CB 1.381 31.752 30.300 0.118 0.000 1.205 565 R HN 0.496 nan 8.270 nan 0.000 0.450 566 E N 2.474 122.784 120.200 0.183 0.000 2.191 566 E HA 0.251 4.600 4.350 -0.001 0.000 0.274 566 E C -1.192 175.454 176.600 0.077 0.000 0.948 566 E CA -0.763 55.720 56.400 0.137 0.000 0.802 566 E CB 2.362 32.136 29.700 0.125 0.000 1.137 566 E HN 0.389 nan 8.360 nan 0.000 0.397 567 Q N 2.935 122.756 119.800 0.036 0.000 2.353 567 Q HA 0.263 4.602 4.340 -0.001 0.000 0.275 567 Q C -1.466 174.488 176.000 -0.075 0.000 1.029 567 Q CA -0.628 55.166 55.803 -0.016 0.000 0.848 567 Q CB 1.487 30.206 28.738 -0.031 0.000 1.390 567 Q HN 0.551 nan 8.270 nan 0.000 0.401 568 L N 3.189 124.362 121.223 -0.083 0.000 2.453 568 L HA 0.325 4.664 4.340 -0.001 0.000 0.272 568 L C 0.209 176.941 176.870 -0.229 0.000 1.182 568 L CA -0.291 54.461 54.840 -0.146 0.000 0.858 568 L CB 0.541 42.551 42.059 -0.081 0.000 1.120 568 L HN 0.470 nan 8.230 nan 0.000 0.474 569 V N -0.566 119.105 119.914 -0.404 0.000 2.914 569 V HA 0.704 4.823 4.120 -0.001 0.000 0.314 569 V C -0.931 174.892 176.094 -0.452 0.000 1.084 569 V CA -0.877 61.147 62.300 -0.461 0.000 0.963 569 V CB 2.186 33.689 31.823 -0.534 0.000 1.025 569 V HN 0.795 nan 8.190 nan 0.000 0.432 570 D N 1.355 121.486 120.400 -0.450 0.000 2.671 570 D HA 0.629 5.269 4.640 -0.001 0.000 0.232 570 D C -1.398 174.604 176.300 -0.496 0.000 1.114 570 D CA -0.375 53.475 54.000 -0.249 0.000 0.858 570 D CB 2.411 43.162 40.800 -0.083 0.000 1.544 570 D HN 0.441 nan 8.370 nan 0.000 0.471 571 F N -0.011 120.014 119.950 0.124 0.000 2.588 571 F HA 0.349 4.876 4.527 -0.001 0.000 0.314 571 F C -0.533 175.449 175.800 0.303 0.000 1.069 571 F CA -1.043 57.047 58.000 0.149 0.000 0.931 571 F CB 1.586 40.710 39.000 0.206 0.000 1.260 571 F HN 0.161 nan 8.300 nan 0.000 0.465 572 Y N 2.094 122.554 120.300 0.266 0.000 2.304 572 Y HA 0.586 5.135 4.550 -0.001 0.000 0.328 572 Y C 0.170 176.192 175.900 0.203 0.000 1.123 572 Y CA -1.489 56.716 58.100 0.175 0.000 1.218 572 Y CB 1.076 39.591 38.460 0.093 0.000 1.207 572 Y HN 0.355 nan 8.280 nan 0.000 0.495 573 V N -0.457 119.653 119.914 0.327 0.000 3.078 573 V HA 0.546 4.665 4.120 -0.001 0.000 0.311 573 V C 0.343 176.581 176.094 0.241 0.000 1.138 573 V CA -0.716 61.742 62.300 0.264 0.000 1.007 573 V CB 1.655 33.633 31.823 0.258 0.000 1.045 573 V HN 0.654 nan 8.190 nan 0.000 0.432 574 S N 0.187 116.011 115.700 0.208 0.000 2.603 574 S HA 0.222 4.691 4.470 -0.001 0.000 0.220 574 S C 0.733 175.511 174.600 0.297 0.000 0.967 574 S CA 0.563 58.883 58.200 0.199 0.000 0.920 574 S CB -0.156 63.124 63.200 0.135 0.000 0.773 574 S HN 1.450 nan 8.310 nan 0.000 0.529 575 S N 1.239 117.097 115.700 0.263 0.000 2.546 575 S HA 0.575 5.045 4.470 -0.001 0.000 0.274 575 S C -2.558 171.936 174.600 -0.177 0.000 1.121 575 S CA -1.490 56.740 58.200 0.050 0.000 0.887 575 S CB 1.941 65.191 63.200 0.082 0.000 1.094 575 S HN 0.007 nan 8.310 nan 0.000 0.474 576 P HA 0.148 nan 4.420 nan 0.000 0.233 576 P C -0.200 176.877 177.300 -0.373 0.000 1.167 576 P CA 0.453 63.138 63.100 -0.691 0.000 0.770 576 P CB -0.189 30.800 31.700 -1.186 0.000 0.837 577 F N 0.670 120.634 119.950 0.022 0.000 2.509 577 F HA 0.271 4.797 4.527 -0.001 0.000 0.344 577 F C 0.445 176.291 175.800 0.076 0.000 1.197 577 F CA -0.968 57.075 58.000 0.072 0.000 1.294 577 F CB 0.066 39.071 39.000 0.008 0.000 1.643 577 F HN -0.338 nan 8.300 nan 0.000 0.596 578 V N 1.032 121.069 119.914 0.206 0.000 2.656 578 V HA 0.642 4.761 4.120 -0.001 0.000 0.307 578 V C -0.310 175.848 176.094 0.107 0.000 1.051 578 V CA -0.862 61.523 62.300 0.141 0.000 0.893 578 V CB 2.331 34.230 31.823 0.126 0.000 0.999 578 V HN 0.509 nan 8.190 nan 0.000 0.426 579 S N 3.096 118.842 115.700 0.077 0.000 2.566 579 S HA 0.890 5.359 4.470 -0.001 0.000 0.298 579 S C -0.942 173.643 174.600 -0.025 0.000 1.083 579 S CA -0.802 57.425 58.200 0.045 0.000 0.978 579 S CB 2.075 65.317 63.200 0.071 0.000 1.073 579 S HN 0.441 nan 8.310 nan 0.000 0.491 580 V N 2.005 121.868 119.914 -0.085 0.000 2.555 580 V HA 0.787 4.906 4.120 -0.001 0.000 0.302 580 V C 0.066 176.072 176.094 -0.146 0.000 1.038 580 V CA -0.475 61.693 62.300 -0.220 0.000 0.887 580 V CB 1.579 33.083 31.823 -0.532 0.000 0.991 580 V HN 1.198 nan 8.190 nan 0.000 0.434 581 T N -0.314 114.172 114.554 -0.113 0.000 2.906 581 T HA 0.671 5.021 4.350 -0.001 0.000 0.295 581 T C -0.796 173.887 174.700 -0.028 0.000 1.075 581 T CA -0.911 61.148 62.100 -0.068 0.000 1.005 581 T CB 2.092 70.913 68.868 -0.079 0.000 1.136 581 T HN 0.708 nan 8.240 nan 0.000 0.498 582 D N 0.569 120.927 120.400 -0.071 0.000 2.478 582 D HA 0.244 4.883 4.640 -0.001 0.000 0.269 582 D C 0.632 176.791 176.300 -0.236 0.000 1.232 582 D CA -1.177 52.658 54.000 -0.276 0.000 1.059 582 D CB 0.308 40.942 40.800 -0.277 0.000 1.104 582 D HN 0.343 nan 8.370 nan 0.000 0.566 583 L N -0.694 120.370 121.223 -0.264 0.000 2.645 583 L HA 0.349 4.688 4.340 -0.001 0.000 0.234 583 L C 1.379 178.171 176.870 -0.130 0.000 1.165 583 L CA 0.362 55.091 54.840 -0.186 0.000 0.944 583 L CB -0.736 41.218 42.059 -0.175 0.000 1.149 583 L HN 0.630 nan 8.230 nan 0.000 0.446 584 A N -1.017 121.732 122.820 -0.117 0.000 2.430 584 A HA 0.199 4.518 4.320 -0.001 0.000 0.243 584 A C 1.158 178.698 177.584 -0.074 0.000 1.254 584 A CA 0.284 52.271 52.037 -0.083 0.000 0.914 584 A CB -0.371 18.587 19.000 -0.070 0.000 0.998 584 A HN 0.450 nan 8.150 nan 0.000 0.515 585 N N 0.043 118.691 118.700 -0.086 0.000 2.782 585 N HA -0.139 4.600 4.740 -0.001 0.000 0.251 585 N C -1.066 174.404 175.510 -0.067 0.000 1.101 585 N CA 0.830 53.837 53.050 -0.071 0.000 0.764 585 N CB -1.875 36.581 38.487 -0.052 0.000 1.122 585 N HN 0.526 nan 8.380 nan 0.000 0.561 586 N N 1.089 119.745 118.700 -0.074 0.000 2.497 586 N HA 0.250 4.989 4.740 -0.001 0.000 0.271 586 N C -2.488 172.961 175.510 -0.103 0.000 1.142 586 N CA -0.823 52.179 53.050 -0.078 0.000 0.965 586 N CB 0.615 39.066 38.487 -0.061 0.000 1.077 586 N HN 0.243 nan 8.380 nan 0.000 0.462 587 P HA 0.036 nan 4.420 nan 0.000 0.267 587 P C -0.500 176.674 177.300 -0.210 0.000 1.200 587 P CA 0.009 62.944 63.100 -0.275 0.000 0.772 587 P CB 0.701 31.979 31.700 -0.704 0.000 0.855 588 V N 2.575 122.410 119.914 -0.132 0.000 2.487 588 V HA 0.208 4.327 4.120 -0.001 0.000 0.298 588 V C 0.306 176.398 176.094 -0.002 0.000 1.028 588 V CA -0.796 61.483 62.300 -0.034 0.000 0.860 588 V CB 1.458 33.282 31.823 0.001 0.000 0.991 588 V HN 0.535 nan 8.190 nan 0.000 0.427 589 E N 3.195 123.430 120.200 0.058 0.000 2.415 589 E HA 0.450 4.799 4.350 -0.001 0.000 0.263 589 E C -0.213 176.460 176.600 0.122 0.000 0.995 589 E CA 0.091 56.556 56.400 0.107 0.000 0.915 589 E CB 0.845 30.611 29.700 0.111 0.000 0.951 589 E HN 0.878 nan 8.360 nan 0.000 0.449 590 A N 4.361 127.242 122.820 0.101 0.000 2.479 590 A HA 0.433 4.752 4.320 -0.001 0.000 0.296 590 A C -1.263 176.343 177.584 0.037 0.000 1.121 590 A CA -0.720 51.387 52.037 0.116 0.000 0.743 590 A CB 1.941 21.001 19.000 0.099 0.000 1.323 590 A HN 0.679 nan 8.150 nan 0.000 0.415 591 Q N 0.876 120.704 119.800 0.046 0.000 2.323 591 Q HA 0.638 4.977 4.340 -0.001 0.000 0.271 591 Q C -2.016 173.975 176.000 -0.015 0.000 1.048 591 Q CA -0.533 55.252 55.803 -0.029 0.000 0.792 591 Q CB 2.138 30.895 28.738 0.032 0.000 1.280 591 Q HN 0.570 nan 8.270 nan 0.000 0.441 592 V N 2.618 122.446 119.914 -0.143 0.000 2.483 592 V HA 0.591 4.710 4.120 -0.001 0.000 0.295 592 V C -0.478 175.772 176.094 0.261 0.000 1.035 592 V CA -0.311 62.011 62.300 0.036 0.000 0.896 592 V CB 1.835 33.634 31.823 -0.040 0.000 0.986 592 V HN 0.847 nan 8.190 nan 0.000 0.447 593 S N 4.836 120.721 115.700 0.308 0.000 2.599 593 S HA 0.679 5.148 4.470 -0.001 0.000 0.287 593 S C -2.772 171.861 174.600 0.055 0.000 1.105 593 S CA -1.137 57.219 58.200 0.260 0.000 0.899 593 S CB 2.445 65.756 63.200 0.185 0.000 1.100 593 S HN 0.536 nan 8.310 nan 0.000 0.482 594 P HA 0.222 nan 4.420 nan 0.000 0.273 594 P C -1.140 175.819 177.300 -0.567 0.000 1.250 594 P CA -0.484 62.203 63.100 -0.688 0.000 0.793 594 P CB 0.361 31.244 31.700 -1.361 0.000 1.011 595 V N 1.736 121.256 119.914 -0.655 0.000 2.334 595 V HA 0.178 4.297 4.120 -0.001 0.000 0.267 595 V C -0.495 175.304 176.094 -0.492 0.000 1.040 595 V CA -0.193 61.798 62.300 -0.515 0.000 0.866 595 V CB -0.573 30.843 31.823 -0.678 0.000 1.019 595 V HN 0.514 nan 8.190 nan 0.000 0.468 596 W N 3.498 124.719 121.300 -0.131 0.000 2.433 596 W HA 0.629 5.289 4.660 -0.001 0.000 0.315 596 W C 0.466 176.933 176.519 -0.086 0.000 1.087 596 W CA -0.378 56.884 57.345 -0.138 0.000 1.205 596 W CB 1.777 31.160 29.460 -0.127 0.000 1.288 596 W HN 0.577 nan 8.180 nan 0.000 0.504 597 S N 1.376 117.145 115.700 0.115 0.000 2.542 597 S HA 0.625 5.095 4.470 -0.001 0.000 0.293 597 S C -1.465 172.976 174.600 -0.264 0.000 1.089 597 S CA -0.986 57.214 58.200 -0.000 0.000 0.961 597 S CB 1.281 64.472 63.200 -0.015 0.000 1.062 597 S HN 0.427 nan 8.310 nan 0.000 0.483 598 W N 1.466 122.542 121.300 -0.374 0.000 2.551 598 W HA 0.595 5.254 4.660 -0.001 0.000 0.330 598 W C 0.293 176.420 176.519 -0.655 0.000 1.063 598 W CA -0.135 57.005 57.345 -0.342 0.000 1.222 598 W CB 1.114 30.472 29.460 -0.170 0.000 1.349 598 W HN 0.645 nan 8.180 nan 0.000 0.536 599 H N 1.130 120.270 119.070 0.116 0.000 2.894 599 H HA 0.102 4.658 4.556 -0.001 0.000 0.367 599 H C -1.152 174.178 175.328 0.002 0.000 1.144 599 H CA -0.950 55.109 56.048 0.019 0.000 1.180 599 H CB 1.856 31.574 29.762 -0.074 0.000 1.758 599 H HN 0.329 nan 8.280 nan 0.000 0.541 600 H N 2.086 121.189 119.070 0.054 0.000 2.934 600 H HA 0.038 4.593 4.556 -0.001 0.000 0.273 600 H C -0.527 174.790 175.328 -0.018 0.000 1.121 600 H CA -0.323 55.729 56.048 0.006 0.000 1.451 600 H CB 0.047 29.820 29.762 0.018 0.000 1.469 600 H HN 0.448 nan 8.280 nan 0.000 0.476 601 D N 3.826 124.199 120.400 -0.045 0.000 2.402 601 D HA -0.027 4.613 4.640 -0.001 0.000 0.235 601 D C 0.984 177.162 176.300 -0.203 0.000 1.226 601 D CA 0.127 54.058 54.000 -0.115 0.000 0.918 601 D CB 0.530 41.332 40.800 0.004 0.000 1.043 601 D HN 0.758 nan 8.370 nan 0.000 0.506 602 T N 1.311 115.664 114.554 -0.335 0.000 3.007 602 T HA -0.119 4.230 4.350 -0.001 0.000 0.270 602 T C 1.938 176.573 174.700 -0.108 0.000 1.107 602 T CA 0.104 62.023 62.100 -0.302 0.000 1.118 602 T CB 0.146 68.855 68.868 -0.264 0.000 0.889 602 T HN 0.239 nan 8.240 nan 0.000 0.506 603 L N 2.482 123.669 121.223 -0.060 0.000 2.005 603 L HA 0.019 4.358 4.340 -0.001 0.000 0.207 603 L C 2.979 179.858 176.870 0.015 0.000 1.072 603 L CA 2.375 57.206 54.840 -0.015 0.000 0.744 603 L CB -1.849 40.209 42.059 -0.002 0.000 0.895 603 L HN 0.595 nan 8.230 nan 0.000 0.433 604 T N -4.397 110.186 114.554 0.047 0.000 3.081 604 T HA 0.020 4.369 4.350 -0.001 0.000 0.250 604 T C 0.796 175.553 174.700 0.095 0.000 1.100 604 T CA -0.286 61.860 62.100 0.077 0.000 1.038 604 T CB 0.121 69.061 68.868 0.121 0.000 0.962 604 T HN 0.103 nan 8.240 nan 0.000 0.516 605 K N 2.256 122.712 120.400 0.094 0.000 3.077 605 K HA -0.133 4.187 4.320 -0.001 0.000 0.264 605 K C 0.111 176.836 176.600 0.209 0.000 1.008 605 K CA 1.264 57.653 56.287 0.169 0.000 0.740 605 K CB -2.797 29.779 32.500 0.127 0.000 1.273 605 K HN 0.871 nan 8.250 nan 0.000 0.477 606 T N -2.828 111.869 114.554 0.238 0.000 2.916 606 T HA 0.784 5.133 4.350 -0.001 0.000 0.292 606 T C 0.291 175.146 174.700 0.258 0.000 1.055 606 T CA -1.062 61.181 62.100 0.239 0.000 1.009 606 T CB 2.155 71.181 68.868 0.264 0.000 1.118 606 T HN 0.147 nan 8.240 nan 0.000 0.497 607 I N 3.489 124.187 120.570 0.215 0.000 2.307 607 I HA 0.479 4.649 4.170 -0.001 0.000 0.289 607 I C -0.268 176.080 176.117 0.385 0.000 1.021 607 I CA -0.575 60.859 61.300 0.223 0.000 1.224 607 I CB 0.364 38.445 38.000 0.135 0.000 1.376 607 I HN 0.885 nan 8.210 nan 0.000 0.470 608 H N 6.236 125.488 119.070 0.303 0.000 2.980 608 H HA 0.685 5.240 4.556 -0.001 0.000 0.367 608 H C -3.184 171.939 175.328 -0.341 0.000 1.206 608 H CA -2.800 53.260 56.048 0.021 0.000 1.126 608 H CB 1.606 31.374 29.762 0.011 0.000 1.838 608 H HN 0.124 nan 8.280 nan 0.000 0.552 609 P HA 0.213 nan 4.420 nan 0.000 0.288 609 P C -0.913 176.404 177.300 0.030 0.000 1.267 609 P CA -0.610 62.028 63.100 -0.770 0.000 0.815 609 P CB 1.634 32.521 31.700 -1.356 0.000 0.989 610 Q N 0.952 120.866 119.800 0.190 0.000 2.312 610 Q HA 0.544 4.884 4.340 -0.001 0.000 0.263 610 Q C 0.228 176.340 176.000 0.185 0.000 0.995 610 Q CA -0.481 55.475 55.803 0.256 0.000 0.853 610 Q CB 2.547 31.429 28.738 0.239 0.000 1.300 610 Q HN 0.584 nan 8.270 nan 0.000 0.448 611 G N 0.889 109.662 108.800 -0.044 0.000 2.332 611 G HA2 0.289 4.248 3.960 -0.001 0.000 0.310 611 G HA3 0.289 4.248 3.960 -0.001 0.000 0.310 611 G C -0.123 174.543 174.900 -0.389 0.000 1.123 611 G CA -0.284 44.458 45.100 -0.597 0.000 0.873 611 G HN 0.452 nan 8.290 nan 0.000 0.460 612 S N 0.142 115.566 115.700 -0.460 0.000 2.568 612 S HA 0.258 4.728 4.470 -0.001 0.000 0.282 612 S C 1.600 175.969 174.600 -0.386 0.000 1.338 612 S CA 0.423 58.389 58.200 -0.389 0.000 1.045 612 S CB 0.628 63.529 63.200 -0.497 0.000 0.873 612 S HN 0.928 nan 8.310 nan 0.000 0.516 613 T N -0.379 114.016 114.554 -0.266 0.000 3.085 613 T HA 0.179 4.528 4.350 -0.001 0.000 0.264 613 T C 0.995 175.600 174.700 -0.159 0.000 1.019 613 T CA 0.380 62.384 62.100 -0.160 0.000 0.910 613 T CB -0.130 68.695 68.868 -0.072 0.000 1.059 613 T HN 0.681 nan 8.240 nan 0.000 0.542 614 T N -1.133 113.243 114.554 -0.297 0.000 3.016 614 T HA 0.357 4.706 4.350 -0.001 0.000 0.271 614 T C 0.155 174.646 174.700 -0.348 0.000 0.968 614 T CA -0.517 61.456 62.100 -0.212 0.000 0.891 614 T CB 0.115 68.906 68.868 -0.128 0.000 1.149 614 T HN 0.669 nan 8.240 nan 0.000 0.524 615 K N -0.158 119.787 120.400 -0.760 0.000 2.555 615 K HA 0.659 4.978 4.320 -0.001 0.000 0.279 615 K C -2.119 173.698 176.600 -1.305 0.000 0.986 615 K CA -1.080 54.744 56.287 -0.772 0.000 0.880 615 K CB 1.461 33.728 32.500 -0.388 0.000 1.474 615 K HN 0.103 nan 8.250 nan 0.000 0.433 616 Y N -0.510 119.699 120.300 -0.152 0.000 2.615 616 Y HA 0.487 5.036 4.550 -0.001 0.000 0.341 616 Y C -0.488 175.391 175.900 -0.035 0.000 1.089 616 Y CA -1.175 56.855 58.100 -0.118 0.000 1.049 616 Y CB 2.229 40.693 38.460 0.007 0.000 1.296 616 Y HN 0.335 nan 8.280 nan 0.000 0.470 617 R N 1.578 122.177 120.500 0.165 0.000 2.346 617 R HA 0.624 4.964 4.340 -0.001 0.000 0.311 617 R C -1.333 175.126 176.300 0.265 0.000 0.983 617 R CA -0.716 55.534 56.100 0.251 0.000 0.880 617 R CB 1.809 32.237 30.300 0.212 0.000 1.100 617 R HN 0.681 nan 8.270 nan 0.000 0.453 618 I N 4.272 125.028 120.570 0.309 0.000 2.474 618 I HA 0.449 4.618 4.170 -0.001 0.000 0.294 618 I C -1.111 175.195 176.117 0.315 0.000 1.005 618 I CA -0.780 60.695 61.300 0.292 0.000 1.113 618 I CB 1.182 39.367 38.000 0.308 0.000 1.289 618 I HN 0.538 nan 8.210 nan 0.000 0.436 619 I N 7.911 128.634 120.570 0.255 0.000 2.545 619 I HA 0.535 4.705 4.170 -0.001 0.000 0.292 619 I C -1.056 175.213 176.117 0.254 0.000 1.040 619 I CA -0.570 60.827 61.300 0.162 0.000 1.068 619 I CB 1.775 39.825 38.000 0.085 0.000 1.251 619 I HN 0.502 nan 8.210 nan 0.000 0.424 620 F N 2.406 122.381 119.950 0.042 0.000 2.686 620 F HA 0.572 5.098 4.527 -0.001 0.000 0.311 620 F C -1.041 174.742 175.800 -0.027 0.000 1.128 620 F CA -1.317 56.685 58.000 0.004 0.000 0.946 620 F CB 1.305 40.294 39.000 -0.018 0.000 1.336 620 F HN 0.222 nan 8.300 nan 0.000 0.457 621 K N 1.915 122.395 120.400 0.133 0.000 2.285 621 K HA 0.733 5.052 4.320 -0.001 0.000 0.286 621 K C -0.653 175.989 176.600 0.070 0.000 1.072 621 K CA -0.354 55.953 56.287 0.034 0.000 0.913 621 K CB 0.840 33.393 32.500 0.090 0.000 1.067 621 K HN 0.937 nan 8.250 nan 0.000 0.479 622 A N 4.659 127.429 122.820 -0.085 0.000 2.309 622 A HA 0.401 4.720 4.320 -0.001 0.000 0.298 622 A C -0.620 177.095 177.584 0.219 0.000 1.165 622 A CA -0.664 51.388 52.037 0.026 0.000 0.821 622 A CB 0.664 19.643 19.000 -0.036 0.000 1.102 622 A HN 0.876 nan 8.150 nan 0.000 0.500 623 R N 2.030 122.774 120.500 0.407 0.000 2.393 623 R HA 0.610 4.950 4.340 -0.001 0.000 0.315 623 R C -1.849 174.718 176.300 0.445 0.000 0.952 623 R CA -0.234 56.098 56.100 0.387 0.000 0.842 623 R CB 1.337 31.850 30.300 0.355 0.000 1.163 623 R HN 0.500 nan 8.270 nan 0.000 0.450 624 V N 6.229 126.361 119.914 0.363 0.000 2.638 624 V HA 0.456 4.575 4.120 -0.001 0.000 0.306 624 V C -2.267 173.732 176.094 -0.158 0.000 1.052 624 V CA -2.283 60.119 62.300 0.171 0.000 0.885 624 V CB 1.906 33.804 31.823 0.126 0.000 0.999 624 V HN 0.788 nan 8.190 nan 0.000 0.424 625 P HA 0.225 nan 4.420 nan 0.000 0.271 625 P C -2.757 174.067 177.300 -0.793 0.000 1.244 625 P CA -1.407 60.824 63.100 -1.448 0.000 0.793 625 P CB -0.255 30.785 31.700 -1.101 0.000 0.984 626 P HA 0.107 nan 4.420 nan 0.000 0.267 626 P C 0.081 177.337 177.300 -0.073 0.000 1.209 626 P CA 0.583 63.487 63.100 -0.326 0.000 0.763 626 P CB -0.257 31.321 31.700 -0.203 0.000 0.816 627 M N 0.474 120.070 119.600 -0.007 0.000 2.253 627 M HA -0.212 4.267 4.480 -0.001 0.000 0.199 627 M C 0.566 177.068 176.300 0.336 0.000 0.342 627 M CA 0.978 56.416 55.300 0.230 0.000 0.417 627 M CB -2.042 30.789 32.600 0.386 0.000 1.338 627 M HN 0.581 nan 8.290 nan 0.000 0.920 628 G N -0.208 108.646 108.800 0.091 0.000 3.022 628 G HA2 0.934 4.894 3.960 -0.001 0.000 0.284 628 G HA3 0.934 4.894 3.960 -0.001 0.000 0.284 628 G C -1.392 173.641 174.900 0.221 0.000 1.375 628 G CA -0.965 44.163 45.100 0.047 0.000 0.902 628 G HN 0.173 nan 8.290 nan 0.000 0.538 629 L N -0.410 120.926 121.223 0.189 0.000 2.409 629 L HA 0.790 5.129 4.340 -0.001 0.000 0.262 629 L C -0.230 176.744 176.870 0.172 0.000 0.992 629 L CA -0.990 53.995 54.840 0.243 0.000 0.817 629 L CB 2.456 44.660 42.059 0.243 0.000 1.350 629 L HN 0.771 nan 8.230 nan 0.000 0.411 630 A N 0.939 123.901 122.820 0.237 0.000 2.422 630 A HA 0.835 5.154 4.320 -0.001 0.000 0.302 630 A C -0.803 176.936 177.584 0.259 0.000 1.041 630 A CA -0.461 51.698 52.037 0.204 0.000 0.708 630 A CB 1.788 20.954 19.000 0.278 0.000 1.257 630 A HN 0.551 nan 8.150 nan 0.000 0.414 631 T N 2.041 116.640 114.554 0.076 0.000 2.824 631 T HA 0.648 4.998 4.350 -0.001 0.000 0.280 631 T C -1.097 173.514 174.700 -0.148 0.000 0.995 631 T CA 0.207 62.394 62.100 0.145 0.000 1.009 631 T CB 0.366 69.319 68.868 0.142 0.000 0.955 631 T HN 0.438 nan 8.240 nan 0.000 0.452 632 Y N 0.422 120.800 120.300 0.129 0.000 2.633 632 Y HA 0.693 5.242 4.550 -0.001 0.000 0.339 632 Y C -0.302 175.512 175.900 -0.144 0.000 1.045 632 Y CA -1.144 56.947 58.100 -0.016 0.000 1.098 632 Y CB 1.704 40.174 38.460 0.016 0.000 1.296 632 Y HN 0.310 nan 8.280 nan 0.000 0.494 633 V N 2.912 122.785 119.914 -0.067 0.000 2.588 633 V HA 0.437 4.556 4.120 -0.001 0.000 0.304 633 V C -0.830 175.204 176.094 -0.100 0.000 1.042 633 V CA -0.967 61.235 62.300 -0.163 0.000 0.877 633 V CB 1.880 33.545 31.823 -0.264 0.000 0.996 633 V HN 0.499 nan 8.190 nan 0.000 0.425 634 L N 3.810 125.003 121.223 -0.049 0.000 2.296 634 L HA 0.687 5.027 4.340 -0.001 0.000 0.286 634 L C -0.143 176.743 176.870 0.026 0.000 1.023 634 L CA -0.096 54.728 54.840 -0.026 0.000 0.812 634 L CB 1.914 43.971 42.059 -0.004 0.000 1.223 634 L HN 0.632 nan 8.230 nan 0.000 0.421 635 T N 3.747 118.320 114.554 0.032 0.000 2.861 635 T HA 0.468 4.818 4.350 -0.001 0.000 0.287 635 T C -0.271 174.477 174.700 0.079 0.000 1.003 635 T CA -0.383 61.751 62.100 0.055 0.000 0.977 635 T CB 2.379 71.270 68.868 0.039 0.000 0.996 635 T HN 0.370 nan 8.240 nan 0.000 0.448 636 I N 2.916 123.541 120.570 0.091 0.000 2.612 636 I HA 0.586 4.755 4.170 -0.001 0.000 0.295 636 I C 0.284 176.463 176.117 0.103 0.000 1.011 636 I CA 0.102 61.471 61.300 0.115 0.000 1.326 636 I CB 0.877 38.949 38.000 0.119 0.000 1.427 636 I HN 0.844 nan 8.210 nan 0.000 0.537 637 S N 2.379 118.157 115.700 0.130 0.000 2.732 637 S HA 0.379 4.848 4.470 -0.001 0.000 0.293 637 S C -0.247 174.375 174.600 0.037 0.000 1.159 637 S CA -0.388 57.855 58.200 0.072 0.000 0.847 637 S CB 1.521 64.753 63.200 0.053 0.000 1.169 637 S HN 0.687 nan 8.310 nan 0.000 0.501 638 D N 0.175 120.535 120.400 -0.066 0.000 2.348 638 D HA 0.217 4.856 4.640 -0.001 0.000 0.211 638 D C 0.866 176.893 176.300 -0.455 0.000 0.998 638 D CA 0.519 54.422 54.000 -0.161 0.000 0.873 638 D CB -0.057 40.677 40.800 -0.110 0.000 0.925 638 D HN 0.637 nan 8.370 nan 0.000 0.524 639 S N -1.549 113.849 115.700 -0.503 0.000 2.776 639 S HA 0.392 4.861 4.470 -0.001 0.000 0.292 639 S C -0.760 173.553 174.600 -0.478 0.000 1.187 639 S CA -1.342 56.399 58.200 -0.765 0.000 0.834 639 S CB 1.176 64.137 63.200 -0.399 0.000 1.199 639 S HN -0.075 nan 8.310 nan 0.000 0.514 640 K N 1.936 122.168 120.400 -0.280 0.000 2.453 640 K HA 0.219 4.539 4.320 -0.001 0.000 0.280 640 K C -2.466 174.201 176.600 0.111 0.000 1.045 640 K CA -0.715 55.659 56.287 0.145 0.000 1.059 640 K CB -0.528 32.066 32.500 0.156 0.000 0.901 640 K HN 0.345 nan 8.250 nan 0.000 0.475 641 P HA -0.029 nan 4.420 nan 0.000 0.271 641 P C 0.518 177.854 177.300 0.060 0.000 1.218 641 P CA -0.249 62.917 63.100 0.110 0.000 0.780 641 P CB 0.740 32.524 31.700 0.140 0.000 0.901 642 E N 1.246 121.437 120.200 -0.015 0.000 2.097 642 E HA -0.259 4.090 4.350 -0.001 0.000 0.196 642 E C 0.223 176.654 176.600 -0.281 0.000 1.000 642 E CA 1.468 57.756 56.400 -0.186 0.000 0.804 642 E CB -0.100 29.405 29.700 -0.325 0.000 0.740 642 E HN 0.574 nan 8.360 nan 0.000 0.454 643 H N -1.152 117.935 119.070 0.029 0.000 2.505 643 H HA 0.255 4.810 4.556 -0.001 0.000 0.286 643 H C -0.832 174.497 175.328 0.002 0.000 1.072 643 H CA 0.050 56.109 56.048 0.018 0.000 1.141 643 H CB 0.985 30.756 29.762 0.015 0.000 1.550 643 H HN -0.116 nan 8.280 nan 0.000 0.547 644 T N 0.885 115.473 114.554 0.057 0.000 2.792 644 T HA 0.396 4.745 4.350 -0.001 0.000 0.280 644 T C 0.007 174.601 174.700 -0.176 0.000 0.990 644 T CA -0.884 61.180 62.100 -0.060 0.000 0.960 644 T CB 1.520 70.343 68.868 -0.074 0.000 0.939 644 T HN 0.322 nan 8.240 nan 0.000 0.439 645 S N 2.433 117.982 115.700 -0.251 0.000 2.718 645 S HA 0.777 5.246 4.470 -0.001 0.000 0.300 645 S C -1.333 172.927 174.600 -0.567 0.000 1.117 645 S CA -0.810 57.259 58.200 -0.217 0.000 1.002 645 S CB 0.824 64.001 63.200 -0.038 0.000 1.092 645 S HN 0.559 nan 8.310 nan 0.000 0.542 646 Y N -0.001 120.313 120.300 0.023 0.000 2.409 646 Y HA 0.661 5.210 4.550 -0.001 0.000 0.343 646 Y C 0.603 176.567 175.900 0.108 0.000 0.973 646 Y CA -0.793 57.317 58.100 0.015 0.000 1.064 646 Y CB 1.650 39.995 38.460 -0.192 0.000 1.207 646 Y HN 1.028 nan 8.280 nan 0.000 0.452 647 A N 1.876 124.892 122.820 0.326 0.000 2.407 647 A HA 0.507 4.827 4.320 -0.001 0.000 0.248 647 A C 0.236 178.013 177.584 0.322 0.000 1.082 647 A CA -0.356 51.849 52.037 0.280 0.000 0.785 647 A CB -0.077 19.077 19.000 0.257 0.000 1.020 647 A HN 0.771 nan 8.150 nan 0.000 0.489 648 S N 2.049 117.873 115.700 0.206 0.000 2.632 648 S HA 0.534 5.003 4.470 -0.001 0.000 0.271 648 S C -0.359 174.327 174.600 0.143 0.000 1.260 648 S CA -0.875 57.430 58.200 0.174 0.000 1.010 648 S CB 0.730 63.993 63.200 0.105 0.000 0.965 648 S HN 0.685 nan 8.310 nan 0.000 0.534 649 N N 0.576 119.338 118.700 0.104 0.000 2.310 649 N HA 0.491 5.230 4.740 -0.001 0.000 0.292 649 N C -1.958 173.488 175.510 -0.105 0.000 1.049 649 N CA -0.532 52.534 53.050 0.028 0.000 0.849 649 N CB 2.032 40.615 38.487 0.160 0.000 1.532 649 N HN 0.584 nan 8.380 nan 0.000 0.479 650 L N 2.504 123.622 121.223 -0.174 0.000 2.376 650 L HA 0.496 4.836 4.340 -0.001 0.000 0.275 650 L C -1.530 175.177 176.870 -0.272 0.000 0.987 650 L CA -0.580 54.126 54.840 -0.223 0.000 0.828 650 L CB 1.546 43.531 42.059 -0.123 0.000 1.249 650 L HN 0.412 nan 8.230 nan 0.000 0.409 651 L N 6.704 127.720 121.223 -0.345 0.000 2.265 651 L HA 0.473 4.812 4.340 -0.001 0.000 0.289 651 L C -1.186 175.663 176.870 -0.035 0.000 1.033 651 L CA -0.365 54.343 54.840 -0.221 0.000 0.814 651 L CB 1.251 43.174 42.059 -0.227 0.000 1.203 651 L HN 0.673 nan 8.230 nan 0.000 0.423 652 L N 7.258 128.475 121.223 -0.011 0.000 2.262 652 L HA 0.578 4.917 4.340 -0.001 0.000 0.288 652 L C -0.084 176.826 176.870 0.066 0.000 1.035 652 L CA -0.456 54.407 54.840 0.038 0.000 0.820 652 L CB 0.886 42.957 42.059 0.020 0.000 1.204 652 L HN 0.644 nan 8.230 nan 0.000 0.424 653 R N 2.039 122.590 120.500 0.085 0.000 2.739 653 R HA 0.435 4.774 4.340 -0.001 0.000 0.266 653 R C -1.631 174.707 176.300 0.063 0.000 1.044 653 R CA -1.134 55.012 56.100 0.076 0.000 0.885 653 R CB 1.396 31.745 30.300 0.081 0.000 1.260 653 R HN 0.215 nan 8.270 nan 0.000 0.477 654 K N 1.337 121.766 120.400 0.048 0.000 2.202 654 K HA 0.094 4.413 4.320 -0.001 0.000 0.264 654 K C -0.108 176.500 176.600 0.014 0.000 1.010 654 K CA -0.406 55.900 56.287 0.031 0.000 0.940 654 K CB 0.317 32.835 32.500 0.029 0.000 0.983 654 K HN 0.807 nan 8.250 nan 0.000 0.475 655 N N 0.995 119.691 118.700 -0.008 0.000 2.727 655 N HA -0.106 4.634 4.740 -0.001 0.000 0.251 655 N C -2.600 172.867 175.510 -0.072 0.000 1.040 655 N CA 0.078 53.107 53.050 -0.035 0.000 0.712 655 N CB -0.740 37.735 38.487 -0.019 0.000 0.912 655 N HN 0.397 nan 8.380 nan 0.000 0.545 656 P HA 0.303 nan 4.420 nan 0.000 0.276 656 P C -0.280 176.821 177.300 -0.331 0.000 1.244 656 P CA -0.106 62.874 63.100 -0.199 0.000 0.801 656 P CB 0.992 32.546 31.700 -0.243 0.000 1.006 657 T N -2.827 111.507 114.554 -0.366 0.000 2.916 657 T HA 0.488 4.837 4.350 -0.001 0.000 0.292 657 T C 0.262 174.710 174.700 -0.421 0.000 1.055 657 T CA -0.748 61.146 62.100 -0.343 0.000 1.009 657 T CB 0.692 69.441 68.868 -0.198 0.000 1.118 657 T HN 0.483 nan 8.240 nan 0.000 0.497 658 S N 0.981 116.505 115.700 -0.293 0.000 2.560 658 S HA 0.329 4.799 4.470 -0.001 0.000 0.276 658 S C -0.121 174.561 174.600 0.136 0.000 1.350 658 S CA -0.677 57.471 58.200 -0.087 0.000 1.024 658 S CB -0.328 62.857 63.200 -0.025 0.000 0.864 658 S HN 0.722 nan 8.310 nan 0.000 0.536 659 L N 2.184 123.606 121.223 0.331 0.000 2.489 659 L HA 0.377 4.716 4.340 -0.001 0.000 0.257 659 L C -2.351 174.624 176.870 0.174 0.000 1.215 659 L CA -1.535 53.467 54.840 0.270 0.000 0.915 659 L CB 1.824 44.124 42.059 0.402 0.000 1.146 659 L HN 0.621 nan 8.230 nan 0.000 0.494 660 P HA 0.236 nan 4.420 nan 0.000 0.277 660 P C -0.255 177.048 177.300 0.006 0.000 1.240 660 P CA -0.283 62.855 63.100 0.063 0.000 0.798 660 P CB 1.786 33.513 31.700 0.044 0.000 0.979 661 L N 1.100 122.337 121.223 0.023 0.000 3.186 661 L HA 0.292 4.631 4.340 -0.001 0.000 0.292 661 L C 1.432 178.372 176.870 0.115 0.000 1.303 661 L CA -0.207 54.624 54.840 -0.016 0.000 0.940 661 L CB 0.011 42.033 42.059 -0.060 0.000 1.358 661 L HN 0.736 nan 8.230 nan 0.000 0.581 662 G N 0.736 109.581 108.800 0.076 0.000 2.660 662 G HA2 -0.416 3.544 3.960 -0.001 0.000 0.321 662 G HA3 -0.416 3.544 3.960 -0.001 0.000 0.321 662 G C 0.647 175.630 174.900 0.139 0.000 1.246 662 G CA 0.730 45.904 45.100 0.123 0.000 1.000 662 G HN 0.470 nan 8.290 nan 0.000 0.550 663 Q N -0.492 119.407 119.800 0.166 0.000 2.451 663 Q HA 0.156 4.496 4.340 -0.001 0.000 0.206 663 Q C 0.675 176.559 176.000 -0.193 0.000 0.947 663 Q CA -0.032 55.755 55.803 -0.025 0.000 0.937 663 Q CB 0.240 28.891 28.738 -0.145 0.000 1.025 663 Q HN 0.495 nan 8.270 nan 0.000 0.511 664 Y N 3.348 123.500 120.300 -0.247 0.000 2.805 664 Y HA -0.058 4.492 4.550 -0.001 0.000 0.331 664 Y C -1.381 174.386 175.900 -0.222 0.000 1.241 664 Y CA -1.364 56.553 58.100 -0.306 0.000 1.546 664 Y CB 0.822 39.239 38.460 -0.072 0.000 1.248 664 Y HN 0.073 nan 8.280 nan 0.000 0.559 665 P HA -0.060 nan 4.420 nan 0.000 0.237 665 P C -0.513 176.619 177.300 -0.279 0.000 1.178 665 P CA 0.768 63.595 63.100 -0.455 0.000 0.766 665 P CB 0.436 31.753 31.700 -0.638 0.000 0.876 666 E N 0.709 120.784 120.200 -0.208 0.000 2.199 666 E HA 0.254 4.603 4.350 -0.001 0.000 0.265 666 E C -0.872 175.841 176.600 0.188 0.000 0.882 666 E CA -0.723 55.692 56.400 0.025 0.000 0.759 666 E CB 0.603 30.359 29.700 0.094 0.000 1.148 666 E HN -0.180 nan 8.360 nan 0.000 0.412 667 D N 2.588 123.058 120.400 0.117 0.000 2.390 667 D HA 0.100 4.740 4.640 -0.001 0.000 0.249 667 D C -0.200 176.158 176.300 0.097 0.000 1.144 667 D CA -0.143 53.930 54.000 0.121 0.000 0.880 667 D CB 1.162 42.019 40.800 0.095 0.000 1.182 667 D HN 0.182 nan 8.370 nan 0.000 0.451 668 V N 4.035 123.992 119.914 0.071 0.000 2.673 668 V HA -0.028 4.091 4.120 -0.001 0.000 0.303 668 V C 0.893 176.811 176.094 -0.293 0.000 1.046 668 V CA 0.107 62.343 62.300 -0.107 0.000 1.126 668 V CB 0.414 32.149 31.823 -0.146 0.000 0.934 668 V HN 0.290 nan 8.190 nan 0.000 0.487 669 K N 3.764 123.944 120.400 -0.367 0.000 2.123 669 K HA 0.652 4.971 4.320 -0.001 0.000 0.248 669 K C -0.904 175.307 176.600 -0.648 0.000 0.969 669 K CA -0.321 55.784 56.287 -0.303 0.000 0.882 669 K CB 1.629 34.068 32.500 -0.102 0.000 1.080 669 K HN 0.418 nan 8.250 nan 0.000 0.441 670 F N -1.020 118.937 119.950 0.011 0.000 2.593 670 F HA 0.673 5.200 4.527 -0.001 0.000 0.320 670 F C 0.617 176.417 175.800 0.001 0.000 1.060 670 F CA -0.633 57.366 58.000 -0.003 0.000 0.940 670 F CB 2.672 41.668 39.000 -0.006 0.000 1.268 670 F HN 0.598 nan 8.300 nan 0.000 0.475 671 G N 0.314 109.223 108.800 0.181 0.000 2.601 671 G HA2 0.399 4.358 3.960 -0.001 0.000 0.291 671 G HA3 0.399 4.358 3.960 -0.001 0.000 0.291 671 G C -2.157 172.796 174.900 0.089 0.000 1.456 671 G CA -0.838 44.325 45.100 0.105 0.000 0.804 671 G HN 0.370 nan 8.290 nan 0.000 0.499 672 D N 0.691 121.131 120.400 0.066 0.000 2.357 672 D HA 0.380 5.020 4.640 -0.001 0.000 0.242 672 D C -1.996 174.334 176.300 0.051 0.000 1.153 672 D CA -0.646 53.387 54.000 0.055 0.000 0.918 672 D CB 1.050 41.877 40.800 0.044 0.000 1.181 672 D HN 0.001 nan 8.370 nan 0.000 0.435 673 P HA 0.086 nan 4.420 nan 0.000 0.265 673 P C -0.449 176.880 177.300 0.049 0.000 1.187 673 P CA 0.380 63.510 63.100 0.051 0.000 0.766 673 P CB 0.438 32.171 31.700 0.054 0.000 0.820 674 R N 0.308 120.838 120.500 0.050 0.000 2.712 674 R HA 0.421 4.760 4.340 -0.001 0.000 0.272 674 R C -1.147 175.191 176.300 0.064 0.000 1.032 674 R CA -1.030 55.101 56.100 0.051 0.000 0.874 674 R CB 1.064 31.390 30.300 0.043 0.000 1.256 674 R HN 0.223 nan 8.270 nan 0.000 0.468 675 E N 1.672 121.912 120.200 0.067 0.000 2.392 675 E HA 0.240 4.589 4.350 -0.001 0.000 0.264 675 E C -0.027 176.627 176.600 0.090 0.000 1.024 675 E CA 0.010 56.461 56.400 0.086 0.000 0.903 675 E CB 0.874 30.613 29.700 0.064 0.000 0.963 675 E HN 0.454 nan 8.360 nan 0.000 0.432 676 I N -1.903 118.752 120.570 0.140 0.000 2.865 676 I HA 0.586 4.755 4.170 -0.001 0.000 0.302 676 I C -0.662 175.591 176.117 0.227 0.000 1.140 676 I CA -0.850 60.532 61.300 0.138 0.000 1.021 676 I CB 2.397 40.449 38.000 0.088 0.000 1.233 676 I HN 0.238 nan 8.210 nan 0.000 0.427 677 S N 4.254 120.059 115.700 0.175 0.000 2.542 677 S HA 0.862 5.331 4.470 -0.001 0.000 0.293 677 S C -1.132 173.577 174.600 0.183 0.000 1.089 677 S CA -0.566 57.752 58.200 0.195 0.000 0.961 677 S CB 1.338 64.606 63.200 0.113 0.000 1.062 677 S HN 0.643 nan 8.310 nan 0.000 0.483 678 L N 3.134 124.491 121.223 0.223 0.000 2.434 678 L HA 0.687 5.026 4.340 -0.001 0.000 0.260 678 L C -0.489 176.468 176.870 0.145 0.000 0.983 678 L CA -0.721 54.223 54.840 0.173 0.000 0.820 678 L CB 2.415 44.593 42.059 0.197 0.000 1.361 678 L HN 0.647 nan 8.230 nan 0.000 0.410 679 R N 1.814 122.376 120.500 0.104 0.000 2.515 679 R HA 0.650 4.989 4.340 -0.001 0.000 0.291 679 R C -1.999 174.343 176.300 0.069 0.000 1.046 679 R CA -0.472 55.677 56.100 0.081 0.000 0.914 679 R CB 2.214 32.554 30.300 0.065 0.000 1.191 679 R HN 0.402 nan 8.270 nan 0.000 0.435 680 V N 4.477 124.430 119.914 0.065 0.000 2.472 680 V HA 0.592 4.712 4.120 -0.001 0.000 0.290 680 V C 1.098 177.220 176.094 0.046 0.000 1.037 680 V CA 0.630 62.964 62.300 0.057 0.000 0.908 680 V CB 1.123 32.981 31.823 0.059 0.000 0.985 680 V HN 1.112 nan 8.190 nan 0.000 0.454 681 G N 4.931 113.756 108.800 0.043 0.000 2.566 681 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.280 681 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.280 681 G C 0.408 175.326 174.900 0.030 0.000 1.225 681 G CA 0.516 45.638 45.100 0.036 0.000 0.966 681 G HN 0.707 nan 8.290 nan 0.000 0.560 682 N N 2.227 120.942 118.700 0.023 0.000 2.268 682 N HA 0.262 5.001 4.740 -0.001 0.000 0.204 682 N C 1.167 176.683 175.510 0.011 0.000 1.124 682 N CA 0.987 54.046 53.050 0.016 0.000 0.838 682 N CB 0.351 38.845 38.487 0.011 0.000 0.994 682 N HN 0.843 nan 8.380 nan 0.000 0.489 683 G N 1.633 110.444 108.800 0.018 0.000 2.516 683 G HA2 0.254 4.213 3.960 -0.001 0.000 0.276 683 G HA3 0.254 4.213 3.960 -0.001 0.000 0.276 683 G C -2.335 172.570 174.900 0.009 0.000 1.390 683 G CA -0.680 44.429 45.100 0.014 0.000 1.050 683 G HN 0.007 nan 8.290 nan 0.000 0.519 684 P HA 0.214 nan 4.420 nan 0.000 0.274 684 P C -0.526 176.782 177.300 0.014 0.000 1.246 684 P CA -0.007 63.089 63.100 -0.007 0.000 0.795 684 P CB 0.810 32.500 31.700 -0.017 0.000 1.006 685 T N 2.027 116.583 114.554 0.004 0.000 2.749 685 T HA 0.448 4.797 4.350 -0.001 0.000 0.287 685 T C 0.022 174.741 174.700 0.031 0.000 0.970 685 T CA -0.360 61.766 62.100 0.043 0.000 0.980 685 T CB 0.034 68.937 68.868 0.060 0.000 0.924 685 T HN 0.166 nan 8.240 nan 0.000 0.456 686 L N 2.721 123.970 121.223 0.043 0.000 2.317 686 L HA 0.784 5.123 4.340 -0.001 0.000 0.281 686 L C 0.229 177.028 176.870 -0.118 0.000 1.024 686 L CA -1.136 53.646 54.840 -0.098 0.000 0.810 686 L CB 1.495 43.479 42.059 -0.125 0.000 1.240 686 L HN 0.632 nan 8.230 nan 0.000 0.427 687 A N 3.116 125.760 122.820 -0.293 0.000 2.337 687 A HA 0.859 5.178 4.320 -0.001 0.000 0.329 687 A C -1.210 176.097 177.584 -0.461 0.000 1.146 687 A CA -0.320 51.598 52.037 -0.198 0.000 0.800 687 A CB 0.841 19.779 19.000 -0.103 0.000 1.220 687 A HN 0.500 nan 8.150 nan 0.000 0.472 688 F N 0.859 120.812 119.950 0.005 0.000 2.546 688 F HA 0.531 5.058 4.527 -0.001 0.000 0.320 688 F C 1.103 176.918 175.800 0.024 0.000 1.076 688 F CA -0.298 57.717 58.000 0.023 0.000 0.928 688 F CB 2.180 41.208 39.000 0.047 0.000 1.189 688 F HN 0.680 nan 8.300 nan 0.000 0.465 689 S N 0.098 115.923 115.700 0.207 0.000 2.617 689 S HA 0.095 4.564 4.470 -0.001 0.000 0.259 689 S C 1.004 175.697 174.600 0.154 0.000 1.301 689 S CA -0.083 58.207 58.200 0.150 0.000 0.984 689 S CB 0.666 63.952 63.200 0.143 0.000 0.954 689 S HN 0.847 nan 8.310 nan 0.000 0.572 690 E N -0.209 120.058 120.200 0.111 0.000 2.409 690 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 690 E C 1.237 177.892 176.600 0.092 0.000 1.024 690 E CA 0.861 57.316 56.400 0.092 0.000 0.861 690 E CB -0.432 29.310 29.700 0.071 0.000 0.788 690 E HN 0.773 nan 8.360 nan 0.000 0.521 691 Q N 0.141 120.005 119.800 0.107 0.000 2.320 691 Q HA 0.207 4.546 4.340 -0.001 0.000 0.201 691 Q C 0.856 176.931 176.000 0.126 0.000 0.910 691 Q CA 0.445 56.309 55.803 0.102 0.000 0.946 691 Q CB 0.909 29.705 28.738 0.096 0.000 1.062 691 Q HN 0.476 nan 8.270 nan 0.000 0.503 692 G N 0.488 109.383 108.800 0.158 0.000 2.136 692 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.242 692 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.242 692 G C -0.280 174.828 174.900 0.347 0.000 0.989 692 G CA -0.180 45.023 45.100 0.171 0.000 0.682 692 G HN 0.267 nan 8.290 nan 0.000 0.522 693 L N -0.092 121.357 121.223 0.376 0.000 2.317 693 L HA 0.669 5.008 4.340 -0.001 0.000 0.281 693 L C 0.844 177.940 176.870 0.376 0.000 1.024 693 L CA -1.385 53.717 54.840 0.437 0.000 0.810 693 L CB 1.553 43.786 42.059 0.289 0.000 1.240 693 L HN 0.140 nan 8.230 nan 0.000 0.427 694 L N 3.408 124.841 121.223 0.351 0.000 2.559 694 L HA -0.064 4.275 4.340 -0.001 0.000 0.282 694 L C 1.074 177.788 176.870 -0.259 0.000 1.232 694 L CA 0.948 55.689 54.840 -0.165 0.000 0.885 694 L CB 0.186 42.206 42.059 -0.067 0.000 1.131 694 L HN 0.801 nan 8.230 nan 0.000 0.498 695 K N 1.385 121.506 120.400 -0.464 0.000 2.474 695 K HA 0.323 4.643 4.320 -0.001 0.000 0.202 695 K C -0.092 176.073 176.600 -0.726 0.000 1.248 695 K CA 0.322 56.132 56.287 -0.795 0.000 0.946 695 K CB 0.418 32.631 32.500 -0.479 0.000 1.102 695 K HN 0.611 nan 8.250 nan 0.000 0.541 696 S N 0.357 115.794 115.700 -0.438 0.000 2.567 696 S HA 0.581 5.051 4.470 -0.001 0.000 0.270 696 S C -1.114 173.364 174.600 -0.204 0.000 1.152 696 S CA -1.028 57.012 58.200 -0.267 0.000 0.835 696 S CB 1.273 64.398 63.200 -0.125 0.000 1.115 696 S HN 0.179 nan 8.310 nan 0.000 0.459 697 I N 1.389 121.878 120.570 -0.135 0.000 2.466 697 I HA 0.456 4.625 4.170 -0.001 0.000 0.289 697 I C -0.566 175.497 176.117 -0.089 0.000 1.026 697 I CA -0.414 60.822 61.300 -0.107 0.000 1.078 697 I CB 2.146 40.076 38.000 -0.117 0.000 1.249 697 I HN 0.740 nan 8.210 nan 0.000 0.429 698 Q N 5.969 125.707 119.800 -0.103 0.000 2.368 698 Q HA 0.417 4.756 4.340 -0.001 0.000 0.263 698 Q C 0.039 175.959 176.000 -0.133 0.000 1.009 698 Q CA -0.523 55.157 55.803 -0.206 0.000 0.818 698 Q CB 1.659 30.135 28.738 -0.436 0.000 1.239 698 Q HN 0.781 nan 8.270 nan 0.000 0.464 699 L N 2.051 123.206 121.223 -0.113 0.000 2.056 699 L HA -0.016 4.323 4.340 -0.001 0.000 0.207 699 L C 1.109 177.939 176.870 -0.067 0.000 1.078 699 L CA 1.231 56.025 54.840 -0.077 0.000 0.749 699 L CB -0.266 41.752 42.059 -0.067 0.000 0.901 699 L HN 0.671 nan 8.230 nan 0.000 0.433 700 T N -6.073 108.432 114.554 -0.081 0.000 2.901 700 T HA 0.224 4.573 4.350 -0.001 0.000 0.293 700 T C 0.538 175.193 174.700 -0.075 0.000 1.084 700 T CA -0.858 61.205 62.100 -0.061 0.000 1.008 700 T CB 1.934 70.773 68.868 -0.048 0.000 1.170 700 T HN -0.119 nan 8.240 nan 0.000 0.509 701 Q N 1.129 120.901 119.800 -0.046 0.000 2.133 701 Q HA -0.182 4.157 4.340 -0.001 0.000 0.208 701 Q C 1.805 177.777 176.000 -0.047 0.000 0.991 701 Q CA 2.430 58.211 55.803 -0.037 0.000 0.867 701 Q CB -0.324 28.407 28.738 -0.012 0.000 0.911 701 Q HN 0.938 nan 8.270 nan 0.000 0.417 702 D N -0.254 120.120 120.400 -0.044 0.000 2.289 702 D HA -0.053 4.587 4.640 -0.001 0.000 0.207 702 D C 0.750 177.016 176.300 -0.055 0.000 0.966 702 D CA 0.385 54.363 54.000 -0.037 0.000 0.868 702 D CB 0.022 40.807 40.800 -0.025 0.000 0.943 702 D HN 0.070 nan 8.370 nan 0.000 0.514 703 S N 0.849 116.499 115.700 -0.084 0.000 2.614 703 S HA 0.419 4.888 4.470 -0.001 0.000 0.265 703 S C -2.581 171.933 174.600 -0.144 0.000 1.303 703 S CA -1.168 56.974 58.200 -0.095 0.000 1.000 703 S CB 1.080 64.225 63.200 -0.092 0.000 0.935 703 S HN -0.124 nan 8.310 nan 0.000 0.551 704 P HA 0.194 nan 4.420 nan 0.000 0.272 704 P C -0.630 176.573 177.300 -0.162 0.000 1.230 704 P CA -0.240 62.812 63.100 -0.079 0.000 0.788 704 P CB 0.157 31.850 31.700 -0.011 0.000 0.949 705 H N 0.389 119.449 119.070 -0.017 0.000 3.004 705 H HA 0.155 4.711 4.556 -0.001 0.000 0.267 705 H C -0.222 175.080 175.328 -0.044 0.000 1.165 705 H CA -0.352 55.674 56.048 -0.037 0.000 1.450 705 H CB -0.019 29.722 29.762 -0.036 0.000 1.488 705 H HN 0.104 nan 8.280 nan 0.000 0.478 706 V N 7.066 126.980 119.914 -0.001 0.000 2.455 706 V HA 0.071 4.190 4.120 -0.001 0.000 0.273 706 V C -1.894 174.151 176.094 -0.081 0.000 1.045 706 V CA -1.624 60.658 62.300 -0.029 0.000 0.976 706 V CB 0.793 32.584 31.823 -0.053 0.000 0.993 706 V HN 0.555 nan 8.190 nan 0.000 0.475 707 P HA 0.155 nan 4.420 nan 0.000 0.266 707 P C -0.813 176.382 177.300 -0.174 0.000 1.215 707 P CA 0.291 63.297 63.100 -0.157 0.000 0.763 707 P CB 0.464 31.966 31.700 -0.329 0.000 0.806 708 V N 5.008 124.778 119.914 -0.241 0.000 2.559 708 V HA 0.211 4.330 4.120 -0.001 0.000 0.289 708 V C -0.527 175.341 176.094 -0.376 0.000 1.036 708 V CA -0.451 61.693 62.300 -0.261 0.000 0.887 708 V CB 1.051 32.701 31.823 -0.288 0.000 1.022 708 V HN 0.585 nan 8.190 nan 0.000 0.442 709 H N 4.361 123.267 119.070 -0.273 0.000 2.511 709 H HA 0.466 5.021 4.556 -0.001 0.000 0.328 709 H C -0.969 174.230 175.328 -0.215 0.000 1.044 709 H CA -0.446 55.487 56.048 -0.192 0.000 1.212 709 H CB 1.878 31.565 29.762 -0.125 0.000 1.428 709 H HN 0.421 nan 8.280 nan 0.000 0.483 710 F N 2.445 122.373 119.950 -0.037 0.000 2.399 710 F HA 0.275 4.801 4.527 -0.001 0.000 0.342 710 F C 0.615 176.333 175.800 -0.137 0.000 1.106 710 F CA 0.143 58.064 58.000 -0.132 0.000 1.196 710 F CB 0.952 39.870 39.000 -0.136 0.000 1.163 710 F HN 0.311 nan 8.300 nan 0.000 0.547 711 K N 2.935 123.320 120.400 -0.025 0.000 2.523 711 K HA 0.498 4.817 4.320 -0.001 0.000 0.257 711 K C -1.975 174.451 176.600 -0.290 0.000 0.932 711 K CA -0.589 55.659 56.287 -0.065 0.000 0.812 711 K CB 1.387 33.871 32.500 -0.027 0.000 1.326 711 K HN 0.389 nan 8.250 nan 0.000 0.433 712 F N 3.821 123.741 119.950 -0.050 0.000 2.458 712 F HA 0.500 5.026 4.527 -0.001 0.000 0.336 712 F C -0.411 175.359 175.800 -0.050 0.000 1.114 712 F CA -0.612 57.352 58.000 -0.059 0.000 0.987 712 F CB 1.201 40.145 39.000 -0.092 0.000 1.130 712 F HN 0.228 nan 8.300 nan 0.000 0.458 713 L N 2.706 123.982 121.223 0.088 0.000 2.277 713 L HA 0.644 4.983 4.340 -0.001 0.000 0.254 713 L C -1.097 175.766 176.870 -0.011 0.000 1.044 713 L CA -1.010 53.825 54.840 -0.009 0.000 0.842 713 L CB 2.248 44.237 42.059 -0.116 0.000 1.422 713 L HN 0.501 nan 8.230 nan 0.000 0.422 714 K N -0.431 119.922 120.400 -0.078 0.000 2.427 714 K HA 0.648 4.967 4.320 -0.001 0.000 0.252 714 K C -1.775 174.756 176.600 -0.116 0.000 0.931 714 K CA -0.807 55.462 56.287 -0.030 0.000 0.793 714 K CB 1.690 34.207 32.500 0.030 0.000 1.211 714 K HN 0.255 nan 8.250 nan 0.000 0.426 715 Y N 0.657 121.020 120.300 0.105 0.000 2.376 715 Y HA 0.502 5.051 4.550 -0.001 0.000 0.325 715 Y C 1.062 177.023 175.900 0.102 0.000 1.199 715 Y CA 0.122 58.298 58.100 0.126 0.000 1.206 715 Y CB 2.023 40.630 38.460 0.243 0.000 1.229 715 Y HN 0.918 nan 8.280 nan 0.000 0.480 716 G N 0.496 109.449 108.800 0.254 0.000 2.938 716 G HA2 0.624 4.583 3.960 -0.001 0.000 0.258 716 G HA3 0.624 4.583 3.960 -0.001 0.000 0.258 716 G C -1.414 173.568 174.900 0.137 0.000 1.356 716 G CA -0.745 44.447 45.100 0.154 0.000 1.052 716 G HN 0.437 nan 8.290 nan 0.000 0.550 717 V N -0.163 119.800 119.914 0.081 0.000 2.864 717 V HA 0.460 4.580 4.120 -0.001 0.000 0.314 717 V C -0.007 176.100 176.094 0.023 0.000 1.073 717 V CA -0.892 61.440 62.300 0.053 0.000 0.956 717 V CB 1.902 33.757 31.823 0.053 0.000 1.023 717 V HN 0.669 nan 8.190 nan 0.000 0.435 718 R N 1.402 121.908 120.500 0.010 0.000 2.491 718 R HA 0.180 4.520 4.340 -0.001 0.000 0.283 718 R C 1.265 177.561 176.300 -0.005 0.000 1.072 718 R CA 0.430 56.530 56.100 0.000 0.000 1.048 718 R CB 0.630 30.934 30.300 0.007 0.000 0.983 718 R HN 0.942 nan 8.270 nan 0.000 0.450 719 S N 1.767 117.436 115.700 -0.052 0.000 2.406 719 S HA -0.060 4.409 4.470 -0.001 0.000 0.224 719 S C 0.444 175.033 174.600 -0.018 0.000 1.030 719 S CA 0.384 58.526 58.200 -0.097 0.000 0.958 719 S CB -0.037 63.019 63.200 -0.240 0.000 0.811 719 S HN 0.655 nan 8.310 nan 0.000 0.489 720 H N 1.048 120.120 119.070 0.004 0.000 2.481 720 H HA 0.608 5.163 4.556 -0.001 0.000 0.333 720 H C 0.765 176.092 175.328 -0.002 0.000 1.066 720 H CA -0.174 55.874 56.048 0.001 0.000 1.209 720 H CB 1.385 31.147 29.762 0.001 0.000 1.445 720 H HN 0.599 nan 8.280 nan 0.000 0.488 721 G N 2.894 111.767 108.800 0.120 0.000 2.500 721 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.209 721 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.209 721 G C -1.173 173.748 174.900 0.035 0.000 1.283 721 G CA -0.940 44.193 45.100 0.055 0.000 0.960 721 G HN 0.580 nan 8.290 nan 0.000 0.528 722 D N 0.949 121.359 120.400 0.016 0.000 2.389 722 D HA 0.540 5.180 4.640 -0.001 0.000 0.247 722 D C 0.885 177.187 176.300 0.004 0.000 1.128 722 D CA 0.286 54.288 54.000 0.004 0.000 0.884 722 D CB 0.907 41.702 40.800 -0.008 0.000 1.194 722 D HN 0.444 nan 8.370 nan 0.000 0.441 723 R N 0.554 121.058 120.500 0.006 0.000 2.368 723 R HA 0.325 4.664 4.340 -0.001 0.000 0.302 723 R C 0.020 176.327 176.300 0.012 0.000 1.002 723 R CA -0.460 55.648 56.100 0.013 0.000 0.929 723 R CB 1.018 31.332 30.300 0.023 0.000 1.073 723 R HN 0.234 nan 8.270 nan 0.000 0.464 724 S N 0.527 116.243 115.700 0.027 0.000 2.563 724 S HA 0.457 4.926 4.470 -0.001 0.000 0.284 724 S C 0.448 175.077 174.600 0.049 0.000 1.331 724 S CA 0.356 58.587 58.200 0.050 0.000 1.047 724 S CB 0.936 64.198 63.200 0.103 0.000 0.859 724 S HN 0.757 nan 8.310 nan 0.000 0.514 725 G N -0.132 108.698 108.800 0.049 0.000 2.846 725 G HA2 0.584 4.543 3.960 -0.001 0.000 0.299 725 G HA3 0.584 4.543 3.960 -0.001 0.000 0.299 725 G C 0.512 175.441 174.900 0.049 0.000 1.242 725 G CA -0.126 45.009 45.100 0.058 0.000 0.800 725 G HN 0.707 nan 8.290 nan 0.000 0.538 726 A N -1.261 121.577 122.820 0.031 0.000 1.972 726 A HA 0.088 4.408 4.320 -0.001 0.000 0.219 726 A C 1.910 179.413 177.584 -0.135 0.000 1.169 726 A CA 2.018 54.012 52.037 -0.072 0.000 0.635 726 A CB -0.618 18.277 19.000 -0.174 0.000 0.810 726 A HN 0.589 nan 8.150 nan 0.000 0.446 727 Y N -0.747 119.491 120.300 -0.104 0.000 2.301 727 Y HA 0.337 4.886 4.550 -0.001 0.000 0.295 727 Y C 0.900 176.688 175.900 -0.188 0.000 1.126 727 Y CA 0.051 58.012 58.100 -0.232 0.000 1.154 727 Y CB -0.163 37.797 38.460 -0.833 0.000 1.075 727 Y HN 0.021 nan 8.280 nan 0.000 0.534 728 L N 0.498 121.688 121.223 -0.054 0.000 2.334 728 L HA 0.224 4.563 4.340 -0.001 0.000 0.277 728 L C -1.138 175.787 176.870 0.091 0.000 1.075 728 L CA -0.584 54.226 54.840 -0.050 0.000 0.804 728 L CB 0.998 42.978 42.059 -0.131 0.000 1.174 728 L HN 0.021 nan 8.230 nan 0.000 0.438 729 F N 4.856 124.753 119.950 -0.088 0.000 2.375 729 F HA 0.505 5.031 4.527 -0.001 0.000 0.361 729 F C -0.829 174.897 175.800 -0.124 0.000 1.117 729 F CA -1.205 56.704 58.000 -0.151 0.000 1.037 729 F CB 0.716 39.556 39.000 -0.266 0.000 1.192 729 F HN 0.207 nan 8.300 nan 0.000 0.452 730 L N 9.060 130.170 121.223 -0.188 0.000 2.529 730 L HA 0.340 4.679 4.340 -0.001 0.000 0.246 730 L C -2.406 174.295 176.870 -0.281 0.000 1.394 730 L CA -1.713 52.973 54.840 -0.255 0.000 0.906 730 L CB 1.146 43.153 42.059 -0.087 0.000 1.170 730 L HN 0.384 nan 8.230 nan 0.000 0.501 731 P HA 0.055 nan 4.420 nan 0.000 0.272 731 P C -0.504 176.728 177.300 -0.113 0.000 1.223 731 P CA -0.325 62.603 63.100 -0.287 0.000 0.784 731 P CB 0.567 31.988 31.700 -0.466 0.000 0.923 732 N N 1.176 119.878 118.700 0.003 0.000 3.303 732 N HA 0.280 5.019 4.740 -0.001 0.000 0.304 732 N C 0.619 176.150 175.510 0.035 0.000 1.302 732 N CA -0.161 52.895 53.050 0.010 0.000 1.213 732 N CB -0.919 37.579 38.487 0.019 0.000 1.481 732 N HN 0.738 nan 8.380 nan 0.000 0.546 733 G N 0.820 109.636 108.800 0.027 0.000 2.661 733 G HA2 -0.157 3.802 3.960 -0.001 0.000 0.685 733 G HA3 -0.157 3.802 3.960 -0.001 0.000 0.685 733 G C -3.037 171.943 174.900 0.134 0.000 1.298 733 G CA -1.137 43.993 45.100 0.050 0.000 0.855 733 G HN 0.380 nan 8.290 nan 0.000 0.560 734 P HA 0.425 nan 4.420 nan 0.000 0.267 734 P C 0.577 177.858 177.300 -0.032 0.000 1.201 734 P CA 0.739 63.912 63.100 0.122 0.000 0.775 734 P CB 0.368 32.099 31.700 0.051 0.000 0.854 735 A N 2.302 124.914 122.820 -0.347 0.000 2.483 735 A HA 0.353 4.672 4.320 -0.001 0.000 0.238 735 A C 0.195 177.631 177.584 -0.248 0.000 1.070 735 A CA 0.347 52.013 52.037 -0.618 0.000 0.770 735 A CB -0.263 18.113 19.000 -1.040 0.000 1.008 735 A HN 0.485 nan 8.150 nan 0.000 0.497 736 S N 2.588 118.182 115.700 -0.178 0.000 2.509 736 S HA 0.597 5.066 4.470 -0.001 0.000 0.297 736 S C -2.730 171.829 174.600 -0.067 0.000 1.118 736 S CA -1.107 57.041 58.200 -0.086 0.000 1.074 736 S CB 1.277 64.449 63.200 -0.046 0.000 1.038 736 S HN 0.584 nan 8.310 nan 0.000 0.498 737 P HA 0.118 nan 4.420 nan 0.000 0.268 737 P C -0.635 176.668 177.300 0.005 0.000 1.204 737 P CA -0.353 62.740 63.100 -0.012 0.000 0.768 737 P CB 0.251 31.949 31.700 -0.003 0.000 0.842 738 V N 3.984 123.916 119.914 0.030 0.000 2.599 738 V HA -0.056 4.063 4.120 -0.001 0.000 0.300 738 V C 1.023 177.128 176.094 0.018 0.000 1.034 738 V CA 0.371 62.687 62.300 0.026 0.000 1.115 738 V CB -0.482 31.366 31.823 0.041 0.000 0.934 738 V HN 0.521 nan 8.190 nan 0.000 0.485 739 E N 4.635 124.839 120.200 0.007 0.000 2.217 739 E HA 0.140 4.489 4.350 -0.001 0.000 0.279 739 E C 0.472 177.073 176.600 0.001 0.000 1.068 739 E CA -0.170 56.234 56.400 0.007 0.000 0.882 739 E CB 0.749 30.453 29.700 0.005 0.000 1.039 739 E HN 0.560 nan 8.360 nan 0.000 0.418 740 L N 2.764 123.993 121.223 0.009 0.000 2.477 740 L HA 0.125 4.464 4.340 -0.001 0.000 0.220 740 L C 1.408 178.283 176.870 0.009 0.000 1.106 740 L CA 0.359 55.200 54.840 0.003 0.000 0.851 740 L CB -0.603 41.466 42.059 0.018 0.000 0.994 740 L HN 0.867 nan 8.230 nan 0.000 0.462 741 G N 0.763 109.573 108.800 0.017 0.000 2.574 741 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.286 741 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.286 741 G C 0.105 175.025 174.900 0.033 0.000 1.212 741 G CA 0.223 45.338 45.100 0.024 0.000 0.979 741 G HN 0.352 nan 8.290 nan 0.000 0.557 742 Q N 1.665 121.489 119.800 0.040 0.000 2.700 742 Q HA 0.453 4.792 4.340 -0.001 0.000 0.249 742 Q C -2.230 173.806 176.000 0.060 0.000 1.033 742 Q CA -1.608 54.224 55.803 0.048 0.000 0.804 742 Q CB 1.299 30.066 28.738 0.048 0.000 1.164 742 Q HN 0.575 nan 8.270 nan 0.000 0.500 743 P HA 0.099 nan 4.420 nan 0.000 0.274 743 P C -0.489 176.875 177.300 0.107 0.000 1.237 743 P CA -0.352 62.791 63.100 0.073 0.000 0.793 743 P CB 1.141 32.864 31.700 0.038 0.000 0.977 744 V N 1.885 121.900 119.914 0.170 0.000 2.530 744 V HA 0.138 4.257 4.120 -0.001 0.000 0.282 744 V C 0.483 176.727 176.094 0.251 0.000 1.048 744 V CA -0.217 62.207 62.300 0.207 0.000 0.997 744 V CB 1.188 33.174 31.823 0.272 0.000 0.987 744 V HN 0.251 nan 8.190 nan 0.000 0.477 745 V N 6.338 126.343 119.914 0.151 0.000 2.495 745 V HA 0.488 4.607 4.120 -0.001 0.000 0.298 745 V C -0.436 175.676 176.094 0.030 0.000 1.031 745 V CA -0.633 61.732 62.300 0.108 0.000 0.871 745 V CB 1.710 33.555 31.823 0.037 0.000 0.988 745 V HN 0.677 nan 8.190 nan 0.000 0.432 746 L N 6.558 127.791 121.223 0.018 0.000 2.333 746 L HA 0.763 5.102 4.340 -0.001 0.000 0.280 746 L C -0.698 176.050 176.870 -0.203 0.000 1.004 746 L CA -0.011 54.714 54.840 -0.192 0.000 0.820 746 L CB 1.812 43.659 42.059 -0.353 0.000 1.247 746 L HN 0.435 nan 8.230 nan 0.000 0.416 747 V N 3.994 123.775 119.914 -0.222 0.000 2.448 747 V HA 0.583 4.702 4.120 -0.001 0.000 0.295 747 V C -0.064 175.945 176.094 -0.141 0.000 1.025 747 V CA -0.394 61.797 62.300 -0.182 0.000 0.859 747 V CB 1.692 33.425 31.823 -0.151 0.000 0.988 747 V HN 0.850 nan 8.190 nan 0.000 0.431 748 T N 5.235 119.736 114.554 -0.089 0.000 2.792 748 T HA 0.451 4.800 4.350 -0.001 0.000 0.280 748 T C -0.470 174.246 174.700 0.028 0.000 0.990 748 T CA -0.593 61.511 62.100 0.005 0.000 0.960 748 T CB 1.228 70.139 68.868 0.071 0.000 0.939 748 T HN 0.653 nan 8.240 nan 0.000 0.439 749 K N 2.358 122.792 120.400 0.058 0.000 2.450 749 K HA 0.685 5.004 4.320 -0.001 0.000 0.257 749 K C -0.436 176.216 176.600 0.088 0.000 0.953 749 K CA -0.573 55.750 56.287 0.060 0.000 0.844 749 K CB 1.063 33.591 32.500 0.048 0.000 1.103 749 K HN 0.802 nan 8.250 nan 0.000 0.429 750 G N 2.205 111.054 108.800 0.082 0.000 2.680 750 G HA2 0.167 4.126 3.960 -0.001 0.000 0.290 750 G HA3 0.167 4.126 3.960 -0.001 0.000 0.290 750 G C -0.194 174.748 174.900 0.070 0.000 1.355 750 G CA -0.633 44.519 45.100 0.086 0.000 0.903 750 G HN 0.655 nan 8.290 nan 0.000 0.474 751 K N -0.374 120.064 120.400 0.064 0.000 2.103 751 K HA 0.133 4.452 4.320 -0.001 0.000 0.204 751 K C 1.626 178.260 176.600 0.056 0.000 1.052 751 K CA 1.073 57.395 56.287 0.057 0.000 0.945 751 K CB -0.170 32.361 32.500 0.052 0.000 0.722 751 K HN 0.409 nan 8.250 nan 0.000 0.443 752 L N -0.502 120.756 121.223 0.058 0.000 2.408 752 L HA 0.216 4.555 4.340 -0.001 0.000 0.215 752 L C 0.571 177.474 176.870 0.054 0.000 1.081 752 L CA 0.106 54.980 54.840 0.057 0.000 0.840 752 L CB 0.320 42.416 42.059 0.062 0.000 1.002 752 L HN 0.217 nan 8.230 nan 0.000 0.468 753 E N -0.287 119.949 120.200 0.061 0.000 2.321 753 E HA 0.375 4.724 4.350 -0.001 0.000 0.281 753 E C -1.486 175.154 176.600 0.066 0.000 0.910 753 E CA -0.195 56.241 56.400 0.060 0.000 0.770 753 E CB 2.121 31.856 29.700 0.058 0.000 1.225 753 E HN -0.126 nan 8.360 nan 0.000 0.417 754 S N 1.206 116.942 115.700 0.060 0.000 2.634 754 S HA 0.795 5.265 4.470 -0.001 0.000 0.296 754 S C -1.251 173.368 174.600 0.031 0.000 1.104 754 S CA -0.666 57.564 58.200 0.050 0.000 0.920 754 S CB 1.782 65.012 63.200 0.051 0.000 1.111 754 S HN 0.618 nan 8.310 nan 0.000 0.493 755 S N -0.205 115.487 115.700 -0.012 0.000 2.547 755 S HA 0.722 5.192 4.470 -0.001 0.000 0.270 755 S C -1.696 172.801 174.600 -0.171 0.000 1.150 755 S CA -0.738 57.428 58.200 -0.056 0.000 0.850 755 S CB 1.040 64.230 63.200 -0.016 0.000 1.118 755 S HN 0.449 nan 8.310 nan 0.000 0.461 756 V N 1.906 121.656 119.914 -0.274 0.000 2.444 756 V HA 0.737 4.857 4.120 -0.001 0.000 0.294 756 V C -0.440 175.514 176.094 -0.234 0.000 1.022 756 V CA -0.390 61.682 62.300 -0.381 0.000 0.850 756 V CB 1.613 32.894 31.823 -0.904 0.000 0.992 756 V HN 0.994 nan 8.190 nan 0.000 0.426 757 S N 3.151 118.772 115.700 -0.132 0.000 2.513 757 S HA 0.789 5.259 4.470 -0.001 0.000 0.299 757 S C -0.850 173.687 174.600 -0.105 0.000 1.087 757 S CA -0.614 57.517 58.200 -0.115 0.000 1.012 757 S CB 2.154 65.389 63.200 0.059 0.000 1.044 757 S HN 0.649 nan 8.310 nan 0.000 0.485 758 V N 2.033 121.764 119.914 -0.305 0.000 2.760 758 V HA 0.805 4.924 4.120 -0.001 0.000 0.309 758 V C -0.049 175.688 176.094 -0.594 0.000 1.077 758 V CA -0.433 61.705 62.300 -0.271 0.000 0.910 758 V CB 1.791 33.584 31.823 -0.050 0.000 1.008 758 V HN 0.991 nan 8.190 nan 0.000 0.424 759 G N 6.988 115.471 108.800 -0.528 0.000 2.546 759 G HA2 0.536 4.495 3.960 -0.001 0.000 0.320 759 G HA3 0.536 4.495 3.960 -0.001 0.000 0.320 759 G C -0.577 174.201 174.900 -0.203 0.000 0.984 759 G CA -0.319 44.521 45.100 -0.434 0.000 1.183 759 G HN 0.698 nan 8.290 nan 0.000 0.443 760 L N 2.856 123.913 121.223 -0.276 0.000 2.387 760 L HA 0.409 4.748 4.340 -0.001 0.000 0.266 760 L C -2.046 174.687 176.870 -0.229 0.000 1.059 760 L CA -2.403 52.295 54.840 -0.235 0.000 0.801 760 L CB 1.950 43.798 42.059 -0.353 0.000 1.223 760 L HN 0.211 nan 8.230 nan 0.000 0.456 761 P HA 0.075 nan 4.420 nan 0.000 0.266 761 P C 0.061 177.249 177.300 -0.188 0.000 1.215 761 P CA 0.453 63.454 63.100 -0.166 0.000 0.763 761 P CB 0.939 32.571 31.700 -0.112 0.000 0.806 762 S N -0.094 115.501 115.700 -0.176 0.000 2.691 762 S HA -0.113 4.356 4.470 -0.001 0.000 0.262 762 S C 0.232 174.714 174.600 -0.195 0.000 1.284 762 S CA 1.283 59.392 58.200 -0.150 0.000 1.372 762 S CB -1.461 61.678 63.200 -0.101 0.000 1.693 762 S HN 0.395 nan 8.310 nan 0.000 0.647 763 V N 1.416 121.153 119.914 -0.295 0.000 2.668 763 V HA 0.479 4.598 4.120 -0.001 0.000 0.304 763 V C -0.220 175.639 176.094 -0.391 0.000 1.071 763 V CA -0.817 61.270 62.300 -0.355 0.000 0.894 763 V CB 2.100 33.560 31.823 -0.605 0.000 1.008 763 V HN 0.115 nan 8.190 nan 0.000 0.425 764 V N 4.007 123.705 119.914 -0.361 0.000 2.368 764 V HA 0.315 4.434 4.120 -0.001 0.000 0.266 764 V C -0.148 175.733 176.094 -0.355 0.000 1.045 764 V CA -0.319 61.670 62.300 -0.519 0.000 0.899 764 V CB 0.676 32.084 31.823 -0.692 0.000 1.006 764 V HN 0.942 nan 8.190 nan 0.000 0.470 765 H N 4.730 123.538 119.070 -0.436 0.000 2.488 765 H HA 0.601 5.156 4.556 -0.001 0.000 0.322 765 H C -0.427 174.779 175.328 -0.203 0.000 1.078 765 H CA -0.265 55.634 56.048 -0.249 0.000 1.260 765 H CB 1.065 30.714 29.762 -0.188 0.000 1.425 765 H HN 0.682 nan 8.280 nan 0.000 0.471 766 Q N 3.528 123.011 119.800 -0.528 0.000 2.323 766 Q HA 0.367 4.707 4.340 -0.001 0.000 0.271 766 Q C -1.084 174.699 176.000 -0.363 0.000 1.048 766 Q CA -1.054 54.529 55.803 -0.368 0.000 0.792 766 Q CB 2.566 31.197 28.738 -0.178 0.000 1.280 766 Q HN 0.647 nan 8.270 nan 0.000 0.441 767 T N 2.952 117.383 114.554 -0.206 0.000 2.786 767 T HA 0.574 4.923 4.350 -0.001 0.000 0.283 767 T C -0.320 174.403 174.700 0.038 0.000 0.992 767 T CA -0.380 61.719 62.100 -0.003 0.000 0.954 767 T CB 0.423 69.455 68.868 0.273 0.000 0.934 767 T HN 0.347 nan 8.240 nan 0.000 0.440 768 I N 3.602 124.207 120.570 0.059 0.000 2.441 768 I HA 0.502 4.671 4.170 -0.001 0.000 0.295 768 I C -0.267 175.899 176.117 0.082 0.000 0.994 768 I CA -0.812 60.521 61.300 0.055 0.000 1.144 768 I CB 1.776 39.799 38.000 0.038 0.000 1.314 768 I HN 0.390 nan 8.210 nan 0.000 0.445 769 M N 5.833 125.481 119.600 0.080 0.000 2.190 769 M HA 0.476 4.956 4.480 -0.001 0.000 0.312 769 M C 0.188 176.526 176.300 0.062 0.000 0.990 769 M CA -0.326 55.024 55.300 0.083 0.000 0.927 769 M CB 2.153 34.818 32.600 0.108 0.000 1.571 769 M HN 0.475 nan 8.290 nan 0.000 0.427 770 R N 1.142 121.673 120.500 0.052 0.000 2.535 770 R HA 0.352 4.692 4.340 -0.001 0.000 0.323 770 R C 0.809 177.133 176.300 0.039 0.000 0.979 770 R CA 0.247 56.372 56.100 0.041 0.000 1.120 770 R CB 1.065 31.382 30.300 0.029 0.000 1.306 770 R HN 1.141 nan 8.270 nan 0.000 0.540 771 G N -0.266 108.559 108.800 0.042 0.000 2.192 771 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.193 771 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.193 771 G C 0.246 175.162 174.900 0.027 0.000 0.999 771 G CA -0.358 44.763 45.100 0.036 0.000 0.659 771 G HN 0.528 nan 8.290 nan 0.000 0.503 772 G N -0.182 108.635 108.800 0.027 0.000 3.259 772 G HA2 0.795 4.754 3.960 -0.001 0.000 0.178 772 G HA3 0.795 4.754 3.960 -0.001 0.000 0.178 772 G C 0.496 175.410 174.900 0.023 0.000 1.129 772 G CA 0.469 45.581 45.100 0.019 0.000 0.816 772 G HN 1.577 nan 8.290 nan 0.000 0.634 773 A N 1.640 124.471 122.820 0.018 0.000 2.567 773 A HA 0.486 4.806 4.320 -0.001 0.000 0.240 773 A C -1.690 175.924 177.584 0.050 0.000 1.053 773 A CA -0.327 51.726 52.037 0.026 0.000 0.755 773 A CB -0.560 18.453 19.000 0.021 0.000 0.978 773 A HN 0.375 nan 8.150 nan 0.000 0.507 774 P HA 0.118 nan 4.420 nan 0.000 0.271 774 P C -0.393 176.972 177.300 0.108 0.000 1.233 774 P CA -0.146 63.013 63.100 0.097 0.000 0.789 774 P CB 0.594 32.373 31.700 0.132 0.000 0.951 775 E N 1.052 121.313 120.200 0.102 0.000 2.179 775 E HA 0.397 4.746 4.350 -0.001 0.000 0.275 775 E C -0.830 175.841 176.600 0.119 0.000 0.945 775 E CA -0.721 55.743 56.400 0.106 0.000 0.792 775 E CB 0.572 30.311 29.700 0.065 0.000 1.125 775 E HN 0.190 nan 8.360 nan 0.000 0.397 776 I N 4.035 124.711 120.570 0.176 0.000 2.404 776 I HA 0.423 4.592 4.170 -0.001 0.000 0.293 776 I C -0.019 176.212 176.117 0.190 0.000 0.992 776 I CA -0.631 60.754 61.300 0.143 0.000 1.149 776 I CB 1.294 39.404 38.000 0.184 0.000 1.315 776 I HN 0.581 nan 8.210 nan 0.000 0.446 777 R N 4.561 125.102 120.500 0.068 0.000 2.561 777 R HA 0.512 4.851 4.340 -0.001 0.000 0.297 777 R C -0.985 175.364 176.300 0.081 0.000 0.969 777 R CA -0.867 55.288 56.100 0.091 0.000 0.879 777 R CB 2.093 32.404 30.300 0.018 0.000 1.178 777 R HN 0.465 nan 8.270 nan 0.000 0.445 778 N N 2.546 121.355 118.700 0.182 0.000 2.399 778 N HA 0.205 4.944 4.740 -0.001 0.000 0.280 778 N C -1.300 174.223 175.510 0.021 0.000 1.008 778 N CA -0.709 52.424 53.050 0.139 0.000 0.894 778 N CB 1.924 40.603 38.487 0.320 0.000 1.273 778 N HN 0.329 nan 8.380 nan 0.000 0.486 779 L N 3.556 124.732 121.223 -0.077 0.000 2.282 779 L HA 0.364 4.703 4.340 -0.001 0.000 0.287 779 L C -0.979 175.819 176.870 -0.119 0.000 1.075 779 L CA -0.428 54.347 54.840 -0.108 0.000 0.839 779 L CB 0.427 42.411 42.059 -0.124 0.000 1.219 779 L HN 0.225 nan 8.230 nan 0.000 0.434 780 V N 4.565 124.411 119.914 -0.113 0.000 2.350 780 V HA 0.372 4.491 4.120 -0.001 0.000 0.276 780 V C -0.448 175.607 176.094 -0.065 0.000 1.028 780 V CA -0.510 61.740 62.300 -0.082 0.000 0.860 780 V CB 1.253 33.054 31.823 -0.036 0.000 0.990 780 V HN 0.665 nan 8.190 nan 0.000 0.453 781 D N 4.029 124.391 120.400 -0.063 0.000 2.420 781 D HA 0.277 4.917 4.640 -0.001 0.000 0.255 781 D C 0.542 176.823 176.300 -0.031 0.000 1.185 781 D CA -0.409 53.567 54.000 -0.040 0.000 0.904 781 D CB 1.446 42.219 40.800 -0.046 0.000 1.102 781 D HN 0.462 nan 8.370 nan 0.000 0.534 782 I N 2.459 123.027 120.570 -0.003 0.000 3.001 782 I HA 0.050 4.219 4.170 -0.001 0.000 0.268 782 I C 1.406 177.526 176.117 0.005 0.000 1.267 782 I CA 1.129 62.434 61.300 0.008 0.000 1.472 782 I CB -0.201 37.822 38.000 0.039 0.000 1.089 782 I HN 0.636 nan 8.210 nan 0.000 0.468 783 G N 0.790 109.592 108.800 0.004 0.000 2.611 783 G HA2 -0.435 3.524 3.960 -0.001 0.000 0.301 783 G HA3 -0.435 3.524 3.960 -0.001 0.000 0.301 783 G C 0.578 175.489 174.900 0.019 0.000 1.233 783 G CA 0.486 45.591 45.100 0.008 0.000 0.993 783 G HN 0.692 nan 8.290 nan 0.000 0.553 784 S N -0.083 115.629 115.700 0.019 0.000 2.574 784 S HA 0.535 5.004 4.470 -0.001 0.000 0.242 784 S C 0.834 175.449 174.600 0.025 0.000 0.982 784 S CA 0.060 58.274 58.200 0.024 0.000 0.977 784 S CB 0.050 63.265 63.200 0.025 0.000 0.814 784 S HN 0.691 nan 8.310 nan 0.000 0.464 785 L N 2.937 124.174 121.223 0.023 0.000 2.382 785 L HA 0.258 4.598 4.340 -0.001 0.000 0.259 785 L C -0.369 176.523 176.870 0.037 0.000 1.291 785 L CA -0.330 54.526 54.840 0.027 0.000 1.176 785 L CB -0.817 41.256 42.059 0.023 0.000 1.373 785 L HN 0.160 nan 8.230 nan 0.000 0.426 786 D N 2.480 122.902 120.400 0.035 0.000 2.423 786 D HA -0.022 4.618 4.640 -0.001 0.000 0.238 786 D C 0.722 177.050 176.300 0.046 0.000 1.142 786 D CA 0.394 54.419 54.000 0.040 0.000 0.884 786 D CB 0.304 41.125 40.800 0.035 0.000 1.199 786 D HN 0.299 nan 8.370 nan 0.000 0.438 787 N N 0.527 119.259 118.700 0.054 0.000 2.725 787 N HA -0.174 4.565 4.740 -0.001 0.000 0.251 787 N C -0.970 174.587 175.510 0.079 0.000 1.031 787 N CA 0.853 53.941 53.050 0.063 0.000 0.720 787 N CB -1.189 37.329 38.487 0.052 0.000 0.930 787 N HN 0.297 nan 8.380 nan 0.000 0.543 788 T N 0.444 115.049 114.554 0.085 0.000 2.916 788 T HA 0.412 4.761 4.350 -0.001 0.000 0.298 788 T C -0.346 174.425 174.700 0.117 0.000 1.031 788 T CA -0.713 61.447 62.100 0.101 0.000 0.993 788 T CB 2.304 71.216 68.868 0.074 0.000 1.045 788 T HN 0.029 nan 8.240 nan 0.000 0.454 789 E N 2.510 122.809 120.200 0.165 0.000 2.191 789 E HA 0.444 4.793 4.350 -0.001 0.000 0.263 789 E C -0.701 176.017 176.600 0.196 0.000 0.881 789 E CA -0.626 55.869 56.400 0.158 0.000 0.757 789 E CB 2.239 32.010 29.700 0.118 0.000 1.147 789 E HN 0.493 nan 8.360 nan 0.000 0.414 790 I N 2.793 123.463 120.570 0.167 0.000 2.342 790 I HA 0.238 4.408 4.170 -0.001 0.000 0.291 790 I C -0.190 176.063 176.117 0.226 0.000 1.010 790 I CA -0.796 60.614 61.300 0.185 0.000 1.308 790 I CB 1.356 39.456 38.000 0.167 0.000 1.400 790 I HN 0.201 nan 8.210 nan 0.000 0.488 791 V N 8.072 128.117 119.914 0.218 0.000 2.628 791 V HA 0.490 4.609 4.120 -0.001 0.000 0.306 791 V C -0.468 175.658 176.094 0.053 0.000 1.045 791 V CA -0.729 61.683 62.300 0.188 0.000 0.905 791 V CB 2.035 34.018 31.823 0.267 0.000 0.997 791 V HN 0.758 nan 8.190 nan 0.000 0.436 792 M N 7.227 126.780 119.600 -0.079 0.000 2.129 792 M HA 0.564 5.044 4.480 -0.001 0.000 0.348 792 M C -0.521 175.641 176.300 -0.230 0.000 1.116 792 M CA -0.419 54.606 55.300 -0.458 0.000 1.022 792 M CB 0.601 32.881 32.600 -0.533 0.000 1.599 792 M HN 0.759 nan 8.290 nan 0.000 0.449 793 R N 4.621 124.987 120.500 -0.224 0.000 2.664 793 R HA 0.704 5.043 4.340 -0.001 0.000 0.286 793 R C -1.930 174.314 176.300 -0.093 0.000 0.967 793 R CA -0.625 55.409 56.100 -0.110 0.000 0.933 793 R CB 1.468 31.716 30.300 -0.086 0.000 1.146 793 R HN 0.815 nan 8.270 nan 0.000 0.468 794 L N 3.340 124.481 121.223 -0.137 0.000 2.313 794 L HA 0.412 4.752 4.340 -0.001 0.000 0.283 794 L C -0.604 176.171 176.870 -0.157 0.000 1.013 794 L CA -0.431 54.261 54.840 -0.247 0.000 0.816 794 L CB 1.960 43.818 42.059 -0.335 0.000 1.236 794 L HN 0.624 nan 8.230 nan 0.000 0.419 795 E N 2.296 122.421 120.200 -0.126 0.000 2.158 795 E HA 0.492 4.841 4.350 -0.001 0.000 0.271 795 E C -0.544 176.007 176.600 -0.082 0.000 0.911 795 E CA -0.458 55.893 56.400 -0.082 0.000 0.767 795 E CB 2.104 31.757 29.700 -0.077 0.000 1.120 795 E HN 0.603 nan 8.360 nan 0.000 0.405 796 T N -1.099 113.411 114.554 -0.073 0.000 2.831 796 T HA 0.322 4.671 4.350 -0.001 0.000 0.287 796 T C 0.106 174.807 174.700 0.000 0.000 1.070 796 T CA -0.711 61.331 62.100 -0.097 0.000 1.010 796 T CB 1.021 69.847 68.868 -0.070 0.000 1.264 796 T HN 0.580 nan 8.240 nan 0.000 0.532 797 H N -0.655 118.414 119.070 -0.002 0.000 2.507 797 H HA 0.428 4.984 4.556 -0.001 0.000 0.294 797 H C 0.018 175.348 175.328 0.003 0.000 1.064 797 H CA -0.557 55.490 56.048 -0.001 0.000 1.138 797 H CB 0.018 29.782 29.762 0.003 0.000 1.515 797 H HN 0.306 nan 8.280 nan 0.000 0.547 798 I N 1.454 122.092 120.570 0.113 0.000 2.556 798 I HA -0.096 4.073 4.170 -0.001 0.000 0.284 798 I C 0.475 176.636 176.117 0.074 0.000 1.114 798 I CA 0.113 61.460 61.300 0.078 0.000 1.418 798 I CB 0.648 38.683 38.000 0.058 0.000 1.394 798 I HN 0.169 nan 8.210 nan 0.000 0.552 799 D N 4.238 124.676 120.400 0.064 0.000 2.713 799 D HA 0.039 4.679 4.640 -0.001 0.000 0.229 799 D C 1.244 177.582 176.300 0.063 0.000 1.136 799 D CA -0.028 54.004 54.000 0.053 0.000 1.010 799 D CB 0.346 41.169 40.800 0.038 0.000 1.084 799 D HN 0.539 nan 8.370 nan 0.000 0.495 800 S N 0.141 115.886 115.700 0.074 0.000 2.470 800 S HA 0.232 4.702 4.470 -0.001 0.000 0.225 800 S C 1.627 176.277 174.600 0.085 0.000 1.006 800 S CA 0.319 58.577 58.200 0.096 0.000 0.934 800 S CB -0.190 63.079 63.200 0.115 0.000 0.778 800 S HN 0.524 nan 8.310 nan 0.000 0.517 801 G N 3.152 111.990 108.800 0.064 0.000 2.557 801 G HA2 -0.385 3.574 3.960 -0.001 0.000 0.292 801 G HA3 -0.385 3.574 3.960 -0.001 0.000 0.292 801 G C 0.157 175.098 174.900 0.068 0.000 1.162 801 G CA 0.566 45.700 45.100 0.056 0.000 0.964 801 G HN 0.749 nan 8.290 nan 0.000 0.541 802 D N 0.224 120.669 120.400 0.075 0.000 2.431 802 D HA 0.337 4.976 4.640 -0.001 0.000 0.213 802 D C 0.772 177.160 176.300 0.146 0.000 1.130 802 D CA -0.190 53.873 54.000 0.105 0.000 0.834 802 D CB 0.300 41.147 40.800 0.079 0.000 0.985 802 D HN 0.470 nan 8.370 nan 0.000 0.504 803 I N 1.498 122.136 120.570 0.112 0.000 2.437 803 I HA 0.490 4.659 4.170 -0.001 0.000 0.298 803 I C -0.196 176.014 176.117 0.154 0.000 0.984 803 I CA -1.018 60.293 61.300 0.019 0.000 1.214 803 I CB 0.545 38.520 38.000 -0.042 0.000 1.365 803 I HN -0.038 nan 8.210 nan 0.000 0.469 804 F N 4.396 124.169 119.950 -0.295 0.000 2.779 804 F HA 0.685 5.211 4.527 -0.001 0.000 0.316 804 F C -2.065 173.396 175.800 -0.566 0.000 1.164 804 F CA -1.461 56.392 58.000 -0.245 0.000 0.924 804 F CB 1.176 40.101 39.000 -0.124 0.000 1.348 804 F HN 0.186 nan 8.300 nan 0.000 0.467 805 Y N -0.014 120.058 120.300 -0.380 0.000 2.442 805 Y HA 0.678 5.227 4.550 -0.001 0.000 0.344 805 Y C -0.020 175.716 175.900 -0.274 0.000 0.976 805 Y CA -0.677 57.067 58.100 -0.593 0.000 1.040 805 Y CB 2.462 40.160 38.460 -1.270 0.000 1.228 805 Y HN 0.899 nan 8.280 nan 0.000 0.451 806 T N -1.395 113.086 114.554 -0.122 0.000 2.906 806 T HA 0.485 4.834 4.350 -0.001 0.000 0.295 806 T C -1.062 173.445 174.700 -0.321 0.000 1.075 806 T CA -1.070 60.974 62.100 -0.095 0.000 1.005 806 T CB 2.032 70.819 68.868 -0.134 0.000 1.136 806 T HN 0.580 nan 8.240 nan 0.000 0.498 807 D N 1.069 121.128 120.400 -0.568 0.000 2.340 807 D HA 0.365 5.004 4.640 -0.001 0.000 0.251 807 D C -0.613 175.421 176.300 -0.443 0.000 1.080 807 D CA -0.806 52.673 54.000 -0.868 0.000 0.971 807 D CB 1.239 41.284 40.800 -1.258 0.000 1.137 807 D HN 0.556 nan 8.370 nan 0.000 0.475 808 L N 0.947 121.952 121.223 -0.363 0.000 2.316 808 L HA 0.213 4.552 4.340 -0.001 0.000 0.280 808 L C -0.122 176.630 176.870 -0.196 0.000 1.006 808 L CA -0.782 53.937 54.840 -0.202 0.000 0.836 808 L CB 0.485 42.488 42.059 -0.095 0.000 1.221 808 L HN 0.460 nan 8.230 nan 0.000 0.418 809 N N 2.098 120.692 118.700 -0.177 0.000 2.714 809 N HA -0.235 4.505 4.740 -0.001 0.000 0.250 809 N C 0.976 176.291 175.510 -0.324 0.000 1.117 809 N CA 0.910 53.856 53.050 -0.173 0.000 0.719 809 N CB -1.053 37.402 38.487 -0.053 0.000 1.081 809 N HN 1.075 nan 8.380 nan 0.000 0.557 810 G N -1.625 106.988 108.800 -0.312 0.000 2.155 810 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.257 810 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.257 810 G C 0.609 175.482 174.900 -0.045 0.000 0.983 810 G CA 0.663 45.604 45.100 -0.265 0.000 0.676 810 G HN 0.486 nan 8.290 nan 0.000 0.528 811 L N -0.372 120.760 121.223 -0.152 0.000 2.467 811 L HA 0.502 4.842 4.340 -0.001 0.000 0.213 811 L C 0.988 177.741 176.870 -0.196 0.000 1.053 811 L CA 1.915 56.576 54.840 -0.298 0.000 0.847 811 L CB 0.161 41.868 42.059 -0.586 0.000 1.075 811 L HN 0.692 nan 8.230 nan 0.000 0.479 812 Q N -1.753 117.940 119.800 -0.179 0.000 2.482 812 Q HA 0.361 4.701 4.340 -0.001 0.000 0.286 812 Q C -1.696 174.201 176.000 -0.172 0.000 1.007 812 Q CA -0.746 55.018 55.803 -0.066 0.000 0.801 812 Q CB 1.197 29.953 28.738 0.029 0.000 1.455 812 Q HN -0.041 nan 8.270 nan 0.000 0.398 813 F N 1.312 121.226 119.950 -0.061 0.000 2.436 813 F HA 0.601 5.127 4.527 -0.001 0.000 0.340 813 F C -0.203 175.561 175.800 -0.059 0.000 1.113 813 F CA -0.851 57.124 58.000 -0.043 0.000 1.022 813 F CB 1.704 40.729 39.000 0.041 0.000 1.128 813 F HN 0.541 nan 8.300 nan 0.000 0.466 814 I N 3.743 124.311 120.570 -0.004 0.000 2.474 814 I HA 0.342 4.512 4.170 -0.001 0.000 0.294 814 I C -0.500 175.461 176.117 -0.260 0.000 1.005 814 I CA -0.873 60.372 61.300 -0.091 0.000 1.113 814 I CB 1.300 39.203 38.000 -0.163 0.000 1.289 814 I HN 0.504 nan 8.210 nan 0.000 0.436 815 K N 6.552 126.750 120.400 -0.337 0.000 2.368 815 K HA 0.262 4.581 4.320 -0.001 0.000 0.282 815 K C -0.834 175.306 176.600 -0.766 0.000 1.035 815 K CA -0.336 55.475 56.287 -0.793 0.000 0.973 815 K CB 0.517 32.685 32.500 -0.553 0.000 0.957 815 K HN 0.501 nan 8.250 nan 0.000 0.474 816 R N 3.094 122.961 120.500 -1.056 0.000 2.711 816 R HA 0.366 4.705 4.340 -0.001 0.000 0.284 816 R C -0.574 175.231 176.300 -0.825 0.000 0.968 816 R CA -0.808 54.605 56.100 -1.145 0.000 0.924 816 R CB 1.608 30.665 30.300 -2.070 0.000 1.162 816 R HN 0.676 nan 8.270 nan 0.000 0.465 817 R N 1.396 121.633 120.500 -0.438 0.000 2.476 817 R HA 0.307 4.646 4.340 -0.001 0.000 0.305 817 R C -0.569 175.782 176.300 0.085 0.000 0.965 817 R CA -0.688 55.331 56.100 -0.135 0.000 0.867 817 R CB 1.576 31.832 30.300 -0.073 0.000 1.176 817 R HN 0.550 nan 8.270 nan 0.000 0.447 818 R N 4.845 125.500 120.500 0.259 0.000 2.489 818 R HA 0.140 4.479 4.340 -0.001 0.000 0.287 818 R C -0.951 175.434 176.300 0.142 0.000 1.053 818 R CA 0.164 56.436 56.100 0.287 0.000 1.036 818 R CB 0.407 30.858 30.300 0.253 0.000 0.966 818 R HN 0.533 nan 8.270 nan 0.000 0.432 819 L N 4.841 126.126 121.223 0.103 0.000 2.319 819 L HA 0.229 4.568 4.340 -0.001 0.000 0.281 819 L C 0.184 177.053 176.870 -0.001 0.000 1.005 819 L CA -0.696 54.166 54.840 0.036 0.000 0.828 819 L CB 2.011 44.065 42.059 -0.008 0.000 1.227 819 L HN 0.689 nan 8.230 nan 0.000 0.415 820 D N 1.629 122.034 120.400 0.008 0.000 2.371 820 D HA -0.106 4.533 4.640 -0.001 0.000 0.221 820 D C 1.648 177.936 176.300 -0.020 0.000 0.986 820 D CA 0.720 54.718 54.000 -0.002 0.000 0.899 820 D CB 0.357 41.164 40.800 0.011 0.000 0.902 820 D HN 0.554 nan 8.370 nan 0.000 0.530 821 K N 0.226 120.609 120.400 -0.029 0.000 2.504 821 K HA 0.018 4.337 4.320 -0.001 0.000 0.195 821 K C 0.625 177.167 176.600 -0.097 0.000 1.036 821 K CA 0.355 56.622 56.287 -0.033 0.000 0.984 821 K CB 0.325 32.827 32.500 0.004 0.000 0.788 821 K HN 0.095 nan 8.250 nan 0.000 0.488 822 L N 2.226 123.355 121.223 -0.158 0.000 2.330 822 L HA 0.473 4.812 4.340 -0.001 0.000 0.271 822 L C -2.275 174.491 176.870 -0.173 0.000 1.013 822 L CA -2.922 51.776 54.840 -0.237 0.000 0.816 822 L CB 1.641 43.466 42.059 -0.390 0.000 1.287 822 L HN -0.038 nan 8.230 nan 0.000 0.435 823 P HA 0.047 nan 4.420 nan 0.000 0.274 823 P C 0.806 177.984 177.300 -0.203 0.000 1.256 823 P CA -0.450 62.556 63.100 -0.157 0.000 0.795 823 P CB 1.303 32.933 31.700 -0.117 0.000 1.038 824 L N 0.799 121.931 121.223 -0.152 0.000 2.013 824 L HA -0.263 4.077 4.340 -0.001 0.000 0.212 824 L C 2.478 179.263 176.870 -0.142 0.000 1.073 824 L CA 1.840 56.617 54.840 -0.105 0.000 0.753 824 L CB -0.640 41.360 42.059 -0.099 0.000 0.890 824 L HN 0.415 nan 8.230 nan 0.000 0.432 825 Q N -0.314 119.289 119.800 -0.329 0.000 2.291 825 Q HA -0.148 4.191 4.340 -0.001 0.000 0.205 825 Q C 1.853 177.746 176.000 -0.179 0.000 0.970 825 Q CA 1.419 57.048 55.803 -0.290 0.000 0.876 825 Q CB -0.471 28.003 28.738 -0.440 0.000 0.935 825 Q HN 0.600 nan 8.270 nan 0.000 0.455 826 A N 1.464 123.974 122.820 -0.517 0.000 2.119 826 A HA -0.028 4.291 4.320 -0.001 0.000 0.216 826 A C 1.586 178.976 177.584 -0.323 0.000 1.152 826 A CA 0.674 52.252 52.037 -0.765 0.000 0.708 826 A CB -0.158 18.034 19.000 -1.346 0.000 0.805 826 A HN 0.341 nan 8.150 nan 0.000 0.460 827 N N -1.161 117.470 118.700 -0.115 0.000 2.336 827 N HA 0.063 4.803 4.740 -0.001 0.000 0.189 827 N C -0.891 174.717 175.510 0.163 0.000 1.113 827 N CA 0.183 53.286 53.050 0.088 0.000 0.858 827 N CB 0.094 38.685 38.487 0.172 0.000 0.970 827 N HN 0.453 nan 8.380 nan 0.000 0.471 828 Y N 0.302 120.550 120.300 -0.088 0.000 2.304 828 Y HA 0.215 4.764 4.550 -0.001 0.000 0.328 828 Y C -0.208 175.631 175.900 -0.102 0.000 1.123 828 Y CA -0.148 57.986 58.100 0.057 0.000 1.218 828 Y CB 0.409 38.978 38.460 0.182 0.000 1.207 828 Y HN -0.066 nan 8.280 nan 0.000 0.495 829 Y N 3.326 123.762 120.300 0.227 0.000 2.605 829 Y HA 0.459 5.008 4.550 -0.001 0.000 0.343 829 Y C -2.315 173.284 175.900 -0.501 0.000 1.036 829 Y CA -2.940 55.140 58.100 -0.032 0.000 1.065 829 Y CB 1.503 39.945 38.460 -0.029 0.000 1.288 829 Y HN 0.437 nan 8.280 nan 0.000 0.481 830 P HA 0.140 nan 4.420 nan 0.000 0.271 830 P C -0.632 176.428 177.300 -0.400 0.000 1.216 830 P CA 0.214 62.733 63.100 -0.967 0.000 0.776 830 P CB 0.585 31.608 31.700 -1.128 0.000 0.881 831 I N 5.056 125.476 120.570 -0.250 0.000 2.620 831 I HA 0.172 4.341 4.170 -0.001 0.000 0.280 831 I C -1.720 174.331 176.117 -0.109 0.000 1.143 831 I CA -2.505 58.720 61.300 -0.126 0.000 1.163 831 I CB 0.718 38.703 38.000 -0.026 0.000 1.461 831 I HN 0.192 nan 8.210 nan 0.000 0.530 832 P HA -0.046 nan 4.420 nan 0.000 0.222 832 P C 1.060 178.334 177.300 -0.043 0.000 1.153 832 P CA 1.154 64.189 63.100 -0.109 0.000 0.798 832 P CB 0.580 32.188 31.700 -0.153 0.000 0.796 833 S N -3.474 112.203 115.700 -0.038 0.000 2.615 833 S HA 0.476 4.945 4.470 -0.001 0.000 0.277 833 S C 0.562 175.253 174.600 0.150 0.000 1.068 833 S CA 0.332 58.566 58.200 0.057 0.000 1.315 833 S CB 0.325 63.582 63.200 0.095 0.000 1.193 833 S HN 0.321 nan 8.310 nan 0.000 0.656 834 G N 1.511 110.402 108.800 0.151 0.000 2.368 834 G HA2 0.541 4.500 3.960 -0.001 0.000 0.293 834 G HA3 0.541 4.500 3.960 -0.001 0.000 0.293 834 G C -1.488 173.661 174.900 0.416 0.000 1.467 834 G CA -0.416 44.900 45.100 0.360 0.000 0.804 834 G HN 0.902 nan 8.290 nan 0.000 0.535 835 M N -0.655 119.216 119.600 0.453 0.000 2.603 835 M HA 0.891 5.370 4.480 -0.001 0.000 0.275 835 M C -1.716 174.831 176.300 0.412 0.000 1.226 835 M CA -1.041 54.491 55.300 0.386 0.000 0.870 835 M CB 2.534 35.266 32.600 0.219 0.000 1.716 835 M HN 1.241 nan 8.290 nan 0.000 0.482 836 F N 0.810 120.910 119.950 0.251 0.000 2.668 836 F HA 0.899 5.425 4.527 -0.001 0.000 0.309 836 F C -1.785 174.150 175.800 0.224 0.000 1.117 836 F CA -1.173 56.909 58.000 0.136 0.000 0.951 836 F CB 1.143 40.131 39.000 -0.020 0.000 1.323 836 F HN 0.781 nan 8.300 nan 0.000 0.451 837 I N -0.068 120.735 120.570 0.388 0.000 2.785 837 I HA 0.885 5.054 4.170 -0.001 0.000 0.302 837 I C -1.384 174.915 176.117 0.304 0.000 1.069 837 I CA -0.893 60.598 61.300 0.318 0.000 1.045 837 I CB 2.404 40.513 38.000 0.181 0.000 1.236 837 I HN 0.946 nan 8.210 nan 0.000 0.429 838 E N 2.095 122.458 120.200 0.272 0.000 2.412 838 E HA 0.561 4.910 4.350 -0.001 0.000 0.279 838 E C -2.031 174.653 176.600 0.140 0.000 0.984 838 E CA -0.830 55.676 56.400 0.178 0.000 0.788 838 E CB 2.292 32.090 29.700 0.164 0.000 1.277 838 E HN 0.741 nan 8.360 nan 0.000 0.455 839 D N 0.615 121.067 120.400 0.087 0.000 2.808 839 D HA 0.444 5.084 4.640 -0.001 0.000 0.249 839 D C 0.842 177.172 176.300 0.050 0.000 1.151 839 D CA -0.182 53.861 54.000 0.072 0.000 1.089 839 D CB -0.019 40.816 40.800 0.059 0.000 1.295 839 D HN 0.442 nan 8.370 nan 0.000 0.631 840 A N -0.802 122.041 122.820 0.037 0.000 2.019 840 A HA -0.131 4.188 4.320 -0.001 0.000 0.219 840 A C 1.465 179.054 177.584 0.009 0.000 1.164 840 A CA 1.431 53.483 52.037 0.023 0.000 0.644 840 A CB -0.700 18.311 19.000 0.020 0.000 0.805 840 A HN 0.503 nan 8.150 nan 0.000 0.449 841 N N -1.723 116.982 118.700 0.009 0.000 2.382 841 N HA 0.072 4.812 4.740 -0.001 0.000 0.200 841 N C -0.493 175.009 175.510 -0.013 0.000 1.122 841 N CA 0.694 53.742 53.050 -0.004 0.000 0.870 841 N CB 0.740 39.227 38.487 -0.000 0.000 1.176 841 N HN 0.286 nan 8.380 nan 0.000 0.474 842 T N 0.586 115.137 114.554 -0.004 0.000 2.886 842 T HA 0.428 4.778 4.350 -0.001 0.000 0.292 842 T C -0.624 174.071 174.700 -0.008 0.000 1.012 842 T CA -0.642 61.450 62.100 -0.013 0.000 0.982 842 T CB 2.827 71.695 68.868 -0.001 0.000 1.018 842 T HN -0.045 nan 8.240 nan 0.000 0.451 843 R N 2.089 122.566 120.500 -0.039 0.000 2.686 843 R HA 0.728 5.067 4.340 -0.001 0.000 0.286 843 R C -1.861 174.415 176.300 -0.039 0.000 0.969 843 R CA -0.907 55.171 56.100 -0.037 0.000 0.898 843 R CB 1.218 31.430 30.300 -0.146 0.000 1.183 843 R HN 0.454 nan 8.270 nan 0.000 0.456 844 L N 2.835 124.065 121.223 0.012 0.000 2.325 844 L HA 0.491 4.830 4.340 -0.001 0.000 0.281 844 L C -1.268 175.639 176.870 0.060 0.000 1.004 844 L CA 0.088 54.928 54.840 -0.000 0.000 0.823 844 L CB 2.218 44.266 42.059 -0.019 0.000 1.236 844 L HN 0.640 nan 8.230 nan 0.000 0.415 845 T N 5.647 120.214 114.554 0.022 0.000 2.807 845 T HA 0.545 4.895 4.350 -0.001 0.000 0.279 845 T C -1.025 173.734 174.700 0.098 0.000 0.993 845 T CA -0.294 61.858 62.100 0.087 0.000 0.970 845 T CB 1.415 70.259 68.868 -0.040 0.000 0.950 845 T HN 0.431 nan 8.240 nan 0.000 0.441 846 L N 5.115 126.434 121.223 0.159 0.000 2.298 846 L HA 0.522 4.862 4.340 -0.001 0.000 0.284 846 L C -1.232 175.781 176.870 0.240 0.000 1.013 846 L CA -0.700 54.245 54.840 0.175 0.000 0.824 846 L CB 0.483 42.625 42.059 0.138 0.000 1.221 846 L HN 0.419 nan 8.230 nan 0.000 0.418 847 L N 3.739 125.105 121.223 0.238 0.000 2.343 847 L HA 0.583 4.922 4.340 -0.001 0.000 0.275 847 L C 0.446 177.466 176.870 0.250 0.000 1.056 847 L CA -0.160 54.819 54.840 0.232 0.000 0.804 847 L CB 1.309 43.470 42.059 0.169 0.000 1.203 847 L HN 0.615 nan 8.230 nan 0.000 0.440 848 T N 0.199 114.855 114.554 0.170 0.000 2.887 848 T HA 0.610 4.959 4.350 -0.001 0.000 0.288 848 T C 0.727 175.392 174.700 -0.059 0.000 1.021 848 T CA -0.194 61.929 62.100 0.039 0.000 1.000 848 T CB 1.584 70.501 68.868 0.082 0.000 1.034 848 T HN 0.775 nan 8.240 nan 0.000 0.467 849 G N 2.844 111.532 108.800 -0.186 0.000 3.284 849 G HA2 0.343 4.302 3.960 -0.001 0.000 0.236 849 G HA3 0.343 4.302 3.960 -0.001 0.000 0.236 849 G C 0.016 174.846 174.900 -0.117 0.000 1.158 849 G CA -0.198 44.821 45.100 -0.136 0.000 0.774 849 G HN 0.724 nan 8.290 nan 0.000 0.545 850 Q N -0.205 119.523 119.800 -0.120 0.000 2.479 850 Q HA 0.299 4.639 4.340 -0.001 0.000 0.276 850 Q C -3.538 172.426 176.000 -0.060 0.000 0.989 850 Q CA -2.357 53.402 55.803 -0.073 0.000 0.864 850 Q CB 1.899 30.605 28.738 -0.053 0.000 1.444 850 Q HN -0.008 nan 8.270 nan 0.000 0.388 851 P HA 0.435 nan 4.420 nan 0.000 0.281 851 P C -0.677 176.617 177.300 -0.010 0.000 1.252 851 P CA -0.123 62.965 63.100 -0.019 0.000 0.778 851 P CB 0.987 32.683 31.700 -0.006 0.000 0.895 852 L N 1.730 122.943 121.223 -0.017 0.000 2.397 852 L HA 0.699 5.038 4.340 -0.001 0.000 0.251 852 L C 0.778 177.674 176.870 0.042 0.000 1.064 852 L CA -1.164 53.690 54.840 0.024 0.000 0.859 852 L CB 1.987 44.047 42.059 0.002 0.000 1.468 852 L HN 0.332 nan 8.230 nan 0.000 0.411 853 G N -1.068 107.816 108.800 0.140 0.000 2.425 853 G HA2 0.686 4.645 3.960 -0.001 0.000 0.302 853 G HA3 0.686 4.645 3.960 -0.001 0.000 0.302 853 G C -0.565 174.370 174.900 0.057 0.000 1.159 853 G CA 0.034 45.274 45.100 0.234 0.000 0.865 853 G HN 0.868 nan 8.290 nan 0.000 0.515 854 G N -1.433 107.208 108.800 -0.264 0.000 2.550 854 G HA2 0.678 4.638 3.960 -0.001 0.000 0.293 854 G HA3 0.678 4.638 3.960 -0.001 0.000 0.293 854 G C -1.227 173.219 174.900 -0.757 0.000 1.402 854 G CA 0.397 45.145 45.100 -0.586 0.000 0.784 854 G HN 1.292 nan 8.290 nan 0.000 0.482 855 S N -1.862 113.458 115.700 -0.633 0.000 2.655 855 S HA 0.711 5.180 4.470 -0.001 0.000 0.266 855 S C -1.545 172.599 174.600 -0.759 0.000 1.149 855 S CA 0.305 58.127 58.200 -0.629 0.000 0.818 855 S CB 1.350 64.251 63.200 -0.499 0.000 1.130 855 S HN 1.564 nan 8.310 nan 0.000 0.476 856 S N 1.766 116.708 115.700 -1.263 0.000 2.718 856 S HA 0.499 4.968 4.470 -0.001 0.000 0.294 856 S C 0.178 174.517 174.600 -0.435 0.000 1.157 856 S CA -0.651 57.090 58.200 -0.764 0.000 1.121 856 S CB 0.012 62.713 63.200 -0.833 0.000 1.015 856 S HN 0.584 nan 8.310 nan 0.000 0.479 857 L N 3.271 124.383 121.223 -0.186 0.000 2.567 857 L HA 0.496 4.835 4.340 -0.001 0.000 0.225 857 L C 0.857 177.715 176.870 -0.021 0.000 1.119 857 L CA 0.225 55.037 54.840 -0.047 0.000 0.871 857 L CB 0.026 42.118 42.059 0.054 0.000 1.036 857 L HN 0.705 nan 8.230 nan 0.000 0.459 858 A N -1.229 121.565 122.820 -0.043 0.000 2.612 858 A HA 0.463 4.783 4.320 -0.001 0.000 0.293 858 A C -0.472 177.103 177.584 -0.015 0.000 1.075 858 A CA -0.438 51.590 52.037 -0.014 0.000 0.680 858 A CB 1.212 20.209 19.000 -0.006 0.000 1.279 858 A HN -0.145 nan 8.150 nan 0.000 0.411 859 S N -0.165 115.541 115.700 0.009 0.000 2.563 859 S HA 0.393 4.862 4.470 -0.001 0.000 0.294 859 S C 1.516 176.128 174.600 0.020 0.000 1.279 859 S CA 1.876 60.090 58.200 0.023 0.000 1.069 859 S CB -0.134 63.084 63.200 0.031 0.000 0.828 859 S HN 2.653 nan 8.310 nan 0.000 0.497 860 G N 3.461 112.277 108.800 0.027 0.000 2.179 860 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.260 860 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.260 860 G C -0.184 174.707 174.900 -0.014 0.000 0.977 860 G CA 0.494 45.609 45.100 0.024 0.000 0.641 860 G HN 0.723 nan 8.290 nan 0.000 0.533 861 E N -0.420 119.757 120.200 -0.039 0.000 2.202 861 E HA 0.741 5.090 4.350 -0.001 0.000 0.272 861 E C -0.176 176.359 176.600 -0.108 0.000 0.951 861 E CA -0.705 55.651 56.400 -0.073 0.000 0.813 861 E CB 1.834 31.490 29.700 -0.073 0.000 1.151 861 E HN 0.244 nan 8.360 nan 0.000 0.398 862 L N 2.043 123.200 121.223 -0.110 0.000 2.370 862 L HA 0.476 4.815 4.340 -0.001 0.000 0.266 862 L C -0.472 176.329 176.870 -0.116 0.000 1.002 862 L CA -0.626 54.139 54.840 -0.126 0.000 0.818 862 L CB 1.938 43.953 42.059 -0.073 0.000 1.325 862 L HN 0.666 nan 8.230 nan 0.000 0.418 863 E N 2.948 123.070 120.200 -0.130 0.000 2.390 863 E HA 0.698 5.047 4.350 -0.001 0.000 0.277 863 E C -1.538 175.016 176.600 -0.077 0.000 0.939 863 E CA -0.843 55.513 56.400 -0.072 0.000 0.769 863 E CB 3.342 33.046 29.700 0.007 0.000 1.251 863 E HN 0.528 nan 8.360 nan 0.000 0.450 864 I N 2.094 122.656 120.570 -0.013 0.000 2.607 864 I HA 0.328 4.497 4.170 -0.001 0.000 0.290 864 I C -1.406 174.778 176.117 0.111 0.000 1.129 864 I CA -1.112 60.203 61.300 0.025 0.000 1.042 864 I CB 1.962 39.975 38.000 0.023 0.000 1.242 864 I HN 0.786 nan 8.210 nan 0.000 0.421 865 M N 6.290 125.995 119.600 0.176 0.000 2.238 865 M HA 0.231 4.710 4.480 -0.001 0.000 0.347 865 M C 0.525 176.932 176.300 0.179 0.000 1.173 865 M CA 0.648 56.060 55.300 0.188 0.000 1.147 865 M CB 0.937 33.622 32.600 0.142 0.000 1.547 865 M HN 0.587 nan 8.290 nan 0.000 0.455 866 Q N 1.407 121.346 119.800 0.231 0.000 2.387 866 Q HA 0.269 4.608 4.340 -0.001 0.000 0.208 866 Q C -0.311 175.905 176.000 0.359 0.000 0.935 866 Q CA 0.768 56.779 55.803 0.347 0.000 0.891 866 Q CB 0.450 29.420 28.738 0.387 0.000 1.007 866 Q HN 0.765 nan 8.270 nan 0.000 0.548 867 D N -0.869 119.671 120.400 0.233 0.000 2.694 867 D HA 0.273 4.913 4.640 -0.001 0.000 0.260 867 D C -1.450 174.927 176.300 0.127 0.000 1.250 867 D CA -0.471 53.643 54.000 0.189 0.000 0.763 867 D CB 1.465 42.366 40.800 0.169 0.000 1.311 867 D HN 0.042 nan 8.370 nan 0.000 0.420 868 R N 0.904 121.468 120.500 0.107 0.000 2.584 868 R HA 0.708 5.047 4.340 -0.001 0.000 0.276 868 R C -1.108 175.242 176.300 0.083 0.000 1.046 868 R CA -1.051 55.096 56.100 0.079 0.000 0.906 868 R CB 2.175 32.495 30.300 0.033 0.000 1.215 868 R HN 0.326 nan 8.270 nan 0.000 0.449 869 R N 3.747 124.293 120.500 0.077 0.000 2.483 869 R HA 0.475 4.814 4.340 -0.001 0.000 0.303 869 R C -1.539 174.801 176.300 0.067 0.000 0.987 869 R CA -0.586 55.556 56.100 0.071 0.000 0.881 869 R CB 1.362 31.700 30.300 0.063 0.000 1.177 869 R HN 0.716 nan 8.270 nan 0.000 0.451 870 L N 3.923 125.184 121.223 0.064 0.000 2.406 870 L HA 0.522 4.861 4.340 -0.001 0.000 0.272 870 L C 0.652 177.554 176.870 0.054 0.000 0.980 870 L CA -0.517 54.359 54.840 0.061 0.000 0.831 870 L CB 2.177 44.274 42.059 0.063 0.000 1.253 870 L HN 0.825 nan 8.230 nan 0.000 0.406 871 A N 1.567 124.416 122.820 0.048 0.000 2.123 871 A HA 0.199 4.518 4.320 -0.001 0.000 0.214 871 A C 0.913 178.521 177.584 0.040 0.000 1.152 871 A CA 0.575 52.637 52.037 0.042 0.000 0.728 871 A CB 0.069 19.091 19.000 0.036 0.000 0.814 871 A HN 0.596 nan 8.150 nan 0.000 0.464 872 S N -0.203 115.523 115.700 0.042 0.000 2.638 872 S HA 0.414 4.884 4.470 -0.001 0.000 0.298 872 S C -0.700 173.928 174.600 0.046 0.000 1.111 872 S CA -0.658 57.566 58.200 0.039 0.000 1.027 872 S CB 1.471 64.691 63.200 0.034 0.000 1.064 872 S HN 0.469 nan 8.310 nan 0.000 0.525 873 D N 0.572 120.999 120.400 0.046 0.000 2.372 873 D HA 0.173 4.812 4.640 -0.001 0.000 0.243 873 D C -0.027 176.299 176.300 0.043 0.000 1.121 873 D CA -0.232 53.803 54.000 0.057 0.000 0.898 873 D CB 0.643 41.475 40.800 0.054 0.000 1.202 873 D HN 0.506 nan 8.370 nan 0.000 0.428 874 D N 1.861 122.291 120.400 0.051 0.000 2.463 874 D HA 0.057 4.696 4.640 -0.001 0.000 0.224 874 D C -0.355 175.914 176.300 -0.051 0.000 1.174 874 D CA -0.260 53.739 54.000 -0.002 0.000 0.829 874 D CB -0.469 40.322 40.800 -0.015 0.000 0.993 874 D HN 0.689 nan 8.370 nan 0.000 0.497 875 E N -0.293 119.899 120.200 -0.012 0.000 2.637 875 E HA -0.213 4.136 4.350 -0.001 0.000 0.265 875 E C 0.218 176.783 176.600 -0.058 0.000 1.073 875 E CA 0.219 56.607 56.400 -0.019 0.000 0.778 875 E CB -0.800 28.885 29.700 -0.024 0.000 1.362 875 E HN 0.187 nan 8.360 nan 0.000 0.413 876 R N -0.549 119.884 120.500 -0.112 0.000 2.546 876 R HA 0.234 4.574 4.340 -0.001 0.000 0.320 876 R C 1.354 177.692 176.300 0.064 0.000 1.021 876 R CA 0.652 56.596 56.100 -0.259 0.000 1.088 876 R CB 0.949 30.619 30.300 -1.050 0.000 1.278 876 R HN 0.415 nan 8.270 nan 0.000 0.557 877 G N 0.685 109.615 108.800 0.218 0.000 2.213 877 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.226 877 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.226 877 G C 0.737 175.789 174.900 0.253 0.000 0.992 877 G CA 0.222 45.542 45.100 0.368 0.000 0.632 877 G HN 0.297 nan 8.290 nan 0.000 0.511 878 L N 1.493 122.937 121.223 0.369 0.000 2.093 878 L HA 0.453 4.792 4.340 -0.001 0.000 0.208 878 L C 2.204 179.089 176.870 0.025 0.000 1.085 878 L CA 2.698 57.653 54.840 0.190 0.000 0.755 878 L CB -0.663 41.634 42.059 0.397 0.000 0.904 878 L HN 1.692 nan 8.230 nan 0.000 0.435 879 G N -0.221 108.622 108.800 0.070 0.000 2.221 879 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.265 879 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.265 879 G C 0.042 174.962 174.900 0.033 0.000 1.041 879 G CA 0.668 45.788 45.100 0.033 0.000 0.807 879 G HN 0.785 nan 8.290 nan 0.000 0.502 880 Q N -1.935 117.899 119.800 0.057 0.000 2.522 880 Q HA 0.681 5.021 4.340 -0.001 0.000 0.285 880 Q C 0.440 176.480 176.000 0.066 0.000 0.982 880 Q CA -0.628 55.207 55.803 0.053 0.000 0.805 880 Q CB 0.528 29.294 28.738 0.048 0.000 1.457 880 Q HN 0.934 nan 8.270 nan 0.000 0.394 881 G N 0.145 108.980 108.800 0.057 0.000 2.489 881 G HA2 0.464 4.423 3.960 -0.001 0.000 0.271 881 G HA3 0.464 4.423 3.960 -0.001 0.000 0.271 881 G C -0.862 174.077 174.900 0.064 0.000 1.427 881 G CA -0.582 44.554 45.100 0.060 0.000 1.057 881 G HN 0.418 nan 8.290 nan 0.000 0.532 882 V N 0.780 120.733 119.914 0.065 0.000 2.305 882 V HA 0.341 4.461 4.120 -0.001 0.000 0.275 882 V C 0.068 176.204 176.094 0.071 0.000 1.020 882 V CA -0.148 62.196 62.300 0.074 0.000 0.811 882 V CB 0.868 32.738 31.823 0.078 0.000 1.031 882 V HN 0.539 nan 8.190 nan 0.000 0.439 883 L N 3.482 124.745 121.223 0.067 0.000 3.358 883 L HA 0.342 4.681 4.340 -0.001 0.000 0.301 883 L C 0.458 177.363 176.870 0.058 0.000 1.276 883 L CA 0.007 54.882 54.840 0.058 0.000 1.028 883 L CB 0.717 42.804 42.059 0.048 0.000 1.421 883 L HN 0.662 nan 8.230 nan 0.000 0.604 884 D N -2.304 118.140 120.400 0.073 0.000 2.559 884 D HA 0.068 4.708 4.640 -0.001 0.000 0.234 884 D C 0.133 176.482 176.300 0.081 0.000 1.226 884 D CA -0.471 53.572 54.000 0.073 0.000 0.830 884 D CB -0.349 40.502 40.800 0.085 0.000 1.028 884 D HN 0.067 nan 8.370 nan 0.000 0.492 885 N N 1.677 120.423 118.700 0.077 0.000 2.345 885 N HA 0.105 4.845 4.740 -0.001 0.000 0.243 885 N C 0.135 175.662 175.510 0.028 0.000 1.246 885 N CA 0.391 53.486 53.050 0.075 0.000 0.863 885 N CB 0.617 39.145 38.487 0.068 0.000 1.096 885 N HN 0.315 nan 8.380 nan 0.000 0.446 886 K N -0.381 120.022 120.400 0.004 0.000 2.508 886 K HA 0.555 4.875 4.320 -0.001 0.000 0.260 886 K C -3.234 173.343 176.600 -0.039 0.000 0.949 886 K CA -2.059 54.185 56.287 -0.071 0.000 0.834 886 K CB 1.333 33.701 32.500 -0.221 0.000 1.365 886 K HN 0.125 nan 8.250 nan 0.000 0.437 887 P HA -0.035 nan 4.420 nan 0.000 0.264 887 P C -1.016 176.308 177.300 0.040 0.000 1.183 887 P CA -0.406 62.679 63.100 -0.025 0.000 0.763 887 P CB 0.721 32.395 31.700 -0.043 0.000 0.807 888 V N 5.115 125.020 119.914 -0.016 0.000 2.841 888 V HA 0.468 4.588 4.120 -0.001 0.000 0.310 888 V C -1.287 174.686 176.094 -0.202 0.000 1.090 888 V CA -1.117 61.157 62.300 -0.044 0.000 0.930 888 V CB 2.132 33.913 31.823 -0.069 0.000 1.014 888 V HN 0.275 nan 8.190 nan 0.000 0.425 889 L N 6.919 128.054 121.223 -0.146 0.000 2.270 889 L HA 0.584 4.923 4.340 -0.001 0.000 0.286 889 L C -0.344 176.508 176.870 -0.030 0.000 1.059 889 L CA 0.146 54.928 54.840 -0.096 0.000 0.839 889 L CB 0.259 42.286 42.059 -0.055 0.000 1.221 889 L HN 0.699 nan 8.230 nan 0.000 0.431 890 H N 5.593 124.675 119.070 0.020 0.000 2.582 890 H HA 0.476 5.031 4.556 -0.001 0.000 0.345 890 H C -0.080 175.128 175.328 -0.200 0.000 1.104 890 H CA -0.227 55.767 56.048 -0.089 0.000 1.390 890 H CB 1.215 30.990 29.762 0.022 0.000 1.461 890 H HN 0.685 nan 8.280 nan 0.000 0.551 891 I N 0.195 120.586 120.570 -0.298 0.000 2.646 891 I HA 0.606 4.775 4.170 -0.001 0.000 0.299 891 I C -1.418 174.331 176.117 -0.613 0.000 1.036 891 I CA -0.946 60.187 61.300 -0.279 0.000 1.074 891 I CB 2.091 40.029 38.000 -0.104 0.000 1.258 891 I HN 0.248 nan 8.210 nan 0.000 0.430 892 Y N 2.666 123.010 120.300 0.074 0.000 2.625 892 Y HA 0.683 5.232 4.550 -0.001 0.000 0.338 892 Y C -0.609 175.339 175.900 0.079 0.000 1.123 892 Y CA -1.084 57.066 58.100 0.084 0.000 1.046 892 Y CB 1.657 40.188 38.460 0.119 0.000 1.299 892 Y HN 0.418 nan 8.280 nan 0.000 0.464 893 R N 1.470 122.126 120.500 0.260 0.000 2.670 893 R HA 0.610 4.949 4.340 -0.001 0.000 0.289 893 R C -1.908 174.500 176.300 0.180 0.000 0.965 893 R CA -1.149 55.058 56.100 0.177 0.000 0.899 893 R CB 2.638 33.000 30.300 0.104 0.000 1.173 893 R HN 0.635 nan 8.270 nan 0.000 0.456 894 L N 2.481 123.790 121.223 0.143 0.000 2.319 894 L HA 0.431 4.770 4.340 -0.001 0.000 0.281 894 L C -1.221 175.674 176.870 0.042 0.000 1.005 894 L CA -0.585 54.317 54.840 0.102 0.000 0.828 894 L CB 1.851 43.984 42.059 0.123 0.000 1.227 894 L HN 0.313 nan 8.230 nan 0.000 0.415 895 V N 6.268 126.191 119.914 0.014 0.000 2.326 895 V HA 0.412 4.531 4.120 -0.001 0.000 0.281 895 V C -0.392 175.673 176.094 -0.048 0.000 1.015 895 V CA -0.570 61.718 62.300 -0.020 0.000 0.823 895 V CB 1.420 33.223 31.823 -0.033 0.000 1.009 895 V HN 0.634 nan 8.190 nan 0.000 0.436 896 L N 5.280 126.470 121.223 -0.055 0.000 2.282 896 L HA 0.687 5.027 4.340 -0.001 0.000 0.288 896 L C -0.160 176.668 176.870 -0.070 0.000 1.033 896 L CA 0.622 55.422 54.840 -0.067 0.000 0.807 896 L CB 1.147 43.162 42.059 -0.074 0.000 1.209 896 L HN 0.715 nan 8.230 nan 0.000 0.423 897 E N 3.698 123.851 120.200 -0.079 0.000 2.356 897 E HA 0.401 4.750 4.350 -0.001 0.000 0.275 897 E C -1.238 175.317 176.600 -0.075 0.000 0.904 897 E CA -1.186 55.164 56.400 -0.084 0.000 0.757 897 E CB 1.617 31.249 29.700 -0.113 0.000 1.232 897 E HN 0.262 nan 8.360 nan 0.000 0.442 898 K N 1.610 121.970 120.400 -0.067 0.000 2.312 898 K HA 0.156 4.476 4.320 -0.001 0.000 0.287 898 K C 0.453 177.012 176.600 -0.068 0.000 1.062 898 K CA -0.088 56.165 56.287 -0.057 0.000 0.934 898 K CB 1.049 33.520 32.500 -0.048 0.000 1.027 898 K HN 0.466 nan 8.250 nan 0.000 0.478 899 V N -0.274 119.602 119.914 -0.063 0.000 3.346 899 V HA 0.019 4.139 4.120 -0.001 0.000 0.309 899 V C 1.214 177.276 176.094 -0.053 0.000 1.457 899 V CA -0.262 61.993 62.300 -0.075 0.000 1.069 899 V CB -0.261 31.503 31.823 -0.099 0.000 0.944 899 V HN 0.597 nan 8.190 nan 0.000 0.449 900 N N 1.594 120.271 118.700 -0.039 0.000 2.289 900 N HA -0.193 4.546 4.740 -0.001 0.000 0.184 900 N C 1.089 176.580 175.510 -0.031 0.000 1.016 900 N CA 1.788 54.821 53.050 -0.027 0.000 0.872 900 N CB -0.580 37.895 38.487 -0.020 0.000 0.973 900 N HN 0.550 nan 8.380 nan 0.000 0.433 901 N N 0.076 118.753 118.700 -0.039 0.000 2.412 901 N HA 0.055 4.794 4.740 -0.001 0.000 0.184 901 N C -0.155 175.326 175.510 -0.049 0.000 1.101 901 N CA -0.036 52.990 53.050 -0.040 0.000 0.881 901 N CB 0.049 38.512 38.487 -0.040 0.000 0.969 901 N HN 0.228 nan 8.380 nan 0.000 0.459 902 c N 1.298 119.863 118.600 -0.058 0.000 2.601 902 c HA 0.263 4.833 4.570 -0.001 0.000 0.409 902 c C 1.036 175.089 174.090 -0.060 0.000 1.293 902 c CA -0.934 55.352 56.329 -0.071 0.000 2.101 902 c CB 0.869 43.323 42.510 -0.094 0.000 2.639 902 c HN 0.008 nan 8.230 nan 0.000 0.592 903 V N 5.273 125.147 119.914 -0.066 0.000 2.370 903 V HA 0.237 4.356 4.120 -0.001 0.000 0.257 903 V C 0.580 176.637 176.094 -0.061 0.000 1.064 903 V CA 0.314 62.579 62.300 -0.058 0.000 0.975 903 V CB -0.687 31.097 31.823 -0.066 0.000 1.067 903 V HN 0.795 nan 8.190 nan 0.000 0.485 904 R N 4.563 125.040 120.500 -0.039 0.000 2.828 904 R HA 0.557 4.896 4.340 -0.001 0.000 0.264 904 R C -2.519 173.775 176.300 -0.010 0.000 1.022 904 R CA -1.916 54.170 56.100 -0.024 0.000 1.021 904 R CB 1.262 31.552 30.300 -0.017 0.000 1.163 904 R HN 0.379 nan 8.270 nan 0.000 0.494 905 P HA -0.032 nan 4.420 nan 0.000 0.270 905 P C -0.421 176.916 177.300 0.062 0.000 1.223 905 P CA -0.197 62.886 63.100 -0.029 0.000 0.785 905 P CB 0.589 32.190 31.700 -0.166 0.000 0.923 906 S N 0.769 116.534 115.700 0.107 0.000 2.596 906 S HA 0.071 4.540 4.470 -0.001 0.000 0.260 906 S C 1.322 176.001 174.600 0.133 0.000 1.336 906 S CA -0.296 57.969 58.200 0.110 0.000 0.993 906 S CB 0.362 63.627 63.200 0.108 0.000 0.923 906 S HN 0.503 nan 8.310 nan 0.000 0.567 907 K N -0.028 120.431 120.400 0.099 0.000 2.211 907 K HA -0.030 4.290 4.320 -0.001 0.000 0.204 907 K C 1.500 178.153 176.600 0.089 0.000 1.047 907 K CA 1.340 57.680 56.287 0.089 0.000 0.935 907 K CB -0.493 32.044 32.500 0.061 0.000 0.728 907 K HN 0.750 nan 8.250 nan 0.000 0.452 908 L N 0.179 121.458 121.223 0.093 0.000 2.558 908 L HA 0.058 4.397 4.340 -0.001 0.000 0.225 908 L C 1.099 178.020 176.870 0.085 0.000 1.128 908 L CA -0.320 54.560 54.840 0.066 0.000 0.868 908 L CB -0.233 41.851 42.059 0.043 0.000 1.006 908 L HN 0.219 nan 8.230 nan 0.000 0.454 909 H N 2.854 121.959 119.070 0.058 0.000 2.722 909 H HA 0.098 4.653 4.556 -0.001 0.000 0.328 909 H C -1.649 173.715 175.328 0.061 0.000 1.067 909 H CA -1.397 54.698 56.048 0.079 0.000 1.447 909 H CB 1.826 31.663 29.762 0.125 0.000 1.469 909 H HN -0.077 nan 8.280 nan 0.000 0.544 910 P HA 0.132 nan 4.420 nan 0.000 0.249 910 P C -0.321 177.079 177.300 0.166 0.000 1.229 910 P CA 0.170 63.301 63.100 0.052 0.000 0.788 910 P CB 0.522 32.181 31.700 -0.068 0.000 1.072 911 A N -0.278 122.812 122.820 0.451 0.000 2.299 911 A HA 0.749 5.069 4.320 -0.001 0.000 0.332 911 A C 0.257 177.903 177.584 0.103 0.000 1.131 911 A CA -0.317 51.849 52.037 0.215 0.000 0.844 911 A CB 1.123 20.234 19.000 0.184 0.000 1.251 911 A HN 0.168 nan 8.150 nan 0.000 0.486 912 G N -1.386 107.359 108.800 -0.092 0.000 2.730 912 G HA2 0.639 4.599 3.960 -0.001 0.000 0.289 912 G HA3 0.639 4.599 3.960 -0.001 0.000 0.289 912 G C -1.826 172.700 174.900 -0.624 0.000 1.341 912 G CA -0.432 44.509 45.100 -0.265 0.000 0.932 912 G HN 0.533 nan 8.290 nan 0.000 0.481 913 Y N -0.915 119.353 120.300 -0.053 0.000 2.492 913 Y HA 0.482 5.031 4.550 -0.001 0.000 0.346 913 Y C 0.353 176.008 175.900 -0.407 0.000 0.997 913 Y CA -0.849 57.147 58.100 -0.173 0.000 1.025 913 Y CB 1.999 40.349 38.460 -0.183 0.000 1.263 913 Y HN 0.341 nan 8.280 nan 0.000 0.454 914 L N 2.175 123.231 121.223 -0.279 0.000 2.464 914 L HA 0.355 4.694 4.340 -0.001 0.000 0.264 914 L C 0.748 177.458 176.870 -0.267 0.000 1.199 914 L CA -0.510 54.082 54.840 -0.414 0.000 0.818 914 L CB 0.742 42.638 42.059 -0.271 0.000 1.102 914 L HN 0.794 nan 8.230 nan 0.000 0.473 915 T N -2.225 112.162 114.554 -0.277 0.000 2.816 915 T HA 0.137 4.486 4.350 -0.001 0.000 0.282 915 T C 1.164 175.806 174.700 -0.098 0.000 0.993 915 T CA -0.585 61.405 62.100 -0.183 0.000 0.994 915 T CB 1.284 70.040 68.868 -0.186 0.000 1.025 915 T HN 0.574 nan 8.240 nan 0.000 0.529 916 S N 1.019 116.675 115.700 -0.073 0.000 2.365 916 S HA -0.132 4.337 4.470 -0.001 0.000 0.225 916 S C 2.495 177.098 174.600 0.006 0.000 1.039 916 S CA 1.194 59.384 58.200 -0.016 0.000 1.033 916 S CB -1.067 62.108 63.200 -0.041 0.000 0.887 916 S HN 0.913 nan 8.310 nan 0.000 0.447 917 A N 1.435 124.234 122.820 -0.034 0.000 1.933 917 A HA 0.156 4.475 4.320 -0.001 0.000 0.218 917 A C 2.342 179.915 177.584 -0.019 0.000 1.175 917 A CA 1.662 53.683 52.037 -0.028 0.000 0.628 917 A CB -0.974 18.000 19.000 -0.043 0.000 0.814 917 A HN 0.535 nan 8.150 nan 0.000 0.444 918 A N -1.478 121.318 122.820 -0.039 0.000 1.929 918 A HA -0.135 4.184 4.320 -0.001 0.000 0.216 918 A C 2.096 179.703 177.584 0.040 0.000 1.176 918 A CA 1.495 53.513 52.037 -0.031 0.000 0.628 918 A CB -0.895 18.030 19.000 -0.125 0.000 0.816 918 A HN 0.768 nan 8.150 nan 0.000 0.444 919 H N 0.144 119.193 119.070 -0.036 0.000 2.321 919 H HA -0.070 4.485 4.556 -0.001 0.000 0.300 919 H C 1.812 177.168 175.328 0.048 0.000 1.087 919 H CA 1.860 57.923 56.048 0.025 0.000 1.319 919 H CB -0.032 29.739 29.762 0.014 0.000 1.379 919 H HN 0.426 nan 8.280 nan 0.000 0.501 920 K N 0.205 120.558 120.400 -0.079 0.000 2.097 920 K HA -0.081 4.239 4.320 -0.001 0.000 0.206 920 K C 2.396 178.953 176.600 -0.071 0.000 1.049 920 K CA 0.849 57.071 56.287 -0.108 0.000 0.933 920 K CB -0.048 32.435 32.500 -0.027 0.000 0.717 920 K HN 0.271 nan 8.250 nan 0.000 0.442 921 A N 0.946 123.749 122.820 -0.029 0.000 1.902 921 A HA -0.193 4.127 4.320 -0.001 0.000 0.217 921 A C 2.227 179.809 177.584 -0.003 0.000 1.181 921 A CA 2.043 54.077 52.037 -0.004 0.000 0.623 921 A CB -0.712 18.300 19.000 0.020 0.000 0.818 921 A HN 0.282 nan 8.150 nan 0.000 0.443 922 S N -0.634 115.070 115.700 0.006 0.000 2.370 922 S HA -0.255 4.214 4.470 -0.001 0.000 0.226 922 S C 2.140 176.723 174.600 -0.029 0.000 1.033 922 S CA 1.819 60.037 58.200 0.030 0.000 1.011 922 S CB -0.422 62.845 63.200 0.110 0.000 0.852 922 S HN 0.678 nan 8.310 nan 0.000 0.457 923 Q N 0.542 120.279 119.800 -0.104 0.000 2.170 923 Q HA -0.091 4.249 4.340 -0.001 0.000 0.203 923 Q C 2.495 178.440 176.000 -0.092 0.000 0.976 923 Q CA 1.670 57.410 55.803 -0.105 0.000 0.858 923 Q CB -0.308 28.347 28.738 -0.138 0.000 0.907 923 Q HN 0.817 nan 8.270 nan 0.000 0.433 924 S N 0.177 115.833 115.700 -0.073 0.000 2.423 924 S HA -0.070 4.399 4.470 -0.001 0.000 0.231 924 S C 1.839 176.377 174.600 -0.103 0.000 1.014 924 S CA 0.651 58.805 58.200 -0.076 0.000 0.965 924 S CB -0.206 62.968 63.200 -0.043 0.000 0.785 924 S HN 0.279 nan 8.310 nan 0.000 0.495 925 L N -0.019 121.152 121.223 -0.087 0.000 2.168 925 L HA 0.231 4.570 4.340 -0.001 0.000 0.203 925 L C 2.489 179.267 176.870 -0.154 0.000 1.078 925 L CA 0.719 55.499 54.840 -0.100 0.000 0.780 925 L CB -0.363 41.661 42.059 -0.059 0.000 0.939 925 L HN 0.279 nan 8.230 nan 0.000 0.451 926 L N -1.209 119.928 121.223 -0.143 0.000 2.202 926 L HA 0.042 4.381 4.340 -0.001 0.000 0.205 926 L C 0.190 176.889 176.870 -0.285 0.000 1.083 926 L CA 0.741 55.472 54.840 -0.182 0.000 0.790 926 L CB 0.121 42.109 42.059 -0.118 0.000 0.942 926 L HN 0.189 nan 8.230 nan 0.000 0.452 927 D N 0.486 120.718 120.400 -0.280 0.000 2.613 927 D HA 0.237 4.877 4.640 -0.001 0.000 0.312 927 D C -2.344 173.715 176.300 -0.403 0.000 1.202 927 D CA -1.012 52.756 54.000 -0.386 0.000 0.825 927 D CB 1.279 42.045 40.800 -0.055 0.000 1.113 927 D HN 0.060 nan 8.370 nan 0.000 0.502 928 P HA 0.133 nan 4.420 nan 0.000 0.275 928 P C 0.595 177.756 177.300 -0.232 0.000 1.266 928 P CA -0.527 62.388 63.100 -0.309 0.000 0.793 928 P CB 1.507 33.032 31.700 -0.291 0.000 1.074 929 L N 0.890 122.047 121.223 -0.109 0.000 2.514 929 L HA 0.063 4.402 4.340 -0.001 0.000 0.280 929 L C 0.865 177.752 176.870 0.030 0.000 1.223 929 L CA 0.478 55.311 54.840 -0.011 0.000 0.864 929 L CB -0.355 41.711 42.059 0.011 0.000 1.118 929 L HN 0.274 nan 8.230 nan 0.000 0.494 930 D N 3.535 124.045 120.400 0.183 0.000 2.255 930 D HA 0.297 4.936 4.640 -0.001 0.000 0.249 930 D C -0.267 176.101 176.300 0.112 0.000 1.078 930 D CA -0.244 53.859 54.000 0.171 0.000 0.896 930 D CB 1.602 42.608 40.800 0.343 0.000 1.194 930 D HN 0.369 nan 8.370 nan 0.000 0.429 931 K N 1.510 121.866 120.400 -0.073 0.000 2.292 931 K HA 0.457 4.776 4.320 -0.001 0.000 0.257 931 K C -0.947 175.611 176.600 -0.068 0.000 0.940 931 K CA -0.633 55.703 56.287 0.082 0.000 0.811 931 K CB 1.474 33.978 32.500 0.007 0.000 1.120 931 K HN 0.229 nan 8.250 nan 0.000 0.428 932 F N 2.632 122.798 119.950 0.360 0.000 2.520 932 F HA 0.491 5.017 4.527 -0.001 0.000 0.322 932 F C 0.054 176.150 175.800 0.494 0.000 1.103 932 F CA -0.895 57.308 58.000 0.338 0.000 0.926 932 F CB 1.294 40.341 39.000 0.078 0.000 1.154 932 F HN 0.195 nan 8.300 nan 0.000 0.453 933 I N 3.480 124.436 120.570 0.644 0.000 2.362 933 I HA 0.212 4.381 4.170 -0.001 0.000 0.289 933 I C -0.534 175.865 176.117 0.471 0.000 0.994 933 I CA -0.842 60.758 61.300 0.499 0.000 1.158 933 I CB 1.221 39.416 38.000 0.324 0.000 1.315 933 I HN 0.438 nan 8.210 nan 0.000 0.451 934 F N 5.804 125.906 119.950 0.254 0.000 2.578 934 F HA 0.161 4.688 4.527 -0.001 0.000 0.376 934 F C 1.206 176.907 175.800 -0.164 0.000 1.085 934 F CA 0.045 57.892 58.000 -0.254 0.000 1.260 934 F CB 1.134 40.007 39.000 -0.212 0.000 1.095 934 F HN 0.586 nan 8.300 nan 0.000 0.573 935 A N 4.568 126.762 122.820 -1.044 0.000 2.178 935 A HA 0.133 4.452 4.320 -0.001 0.000 0.211 935 A C 0.734 177.988 177.584 -0.550 0.000 1.157 935 A CA 0.444 52.114 52.037 -0.612 0.000 0.780 935 A CB -0.293 18.396 19.000 -0.519 0.000 0.828 935 A HN 0.782 nan 8.150 nan 0.000 0.476 936 E N -1.372 118.358 120.200 -0.783 0.000 2.396 936 E HA 0.236 4.585 4.350 -0.001 0.000 0.251 936 E C -0.101 176.552 176.600 0.089 0.000 0.949 936 E CA -0.956 55.269 56.400 -0.291 0.000 0.834 936 E CB 0.513 30.049 29.700 -0.272 0.000 1.309 936 E HN 0.082 nan 8.360 nan 0.000 0.405 937 N N 0.619 119.399 118.700 0.133 0.000 2.207 937 N HA -0.066 4.674 4.740 -0.001 0.000 0.182 937 N C -0.245 175.407 175.510 0.237 0.000 1.020 937 N CA 1.039 54.190 53.050 0.169 0.000 0.858 937 N CB 0.288 38.833 38.487 0.097 0.000 0.991 937 N HN 0.395 nan 8.380 nan 0.000 0.427 938 E N -0.584 119.776 120.200 0.267 0.000 2.224 938 E HA 0.108 4.457 4.350 -0.001 0.000 0.265 938 E C -1.455 175.240 176.600 0.159 0.000 0.878 938 E CA -0.683 55.810 56.400 0.154 0.000 0.759 938 E CB 1.084 30.840 29.700 0.093 0.000 1.164 938 E HN 0.046 nan 8.360 nan 0.000 0.414 939 W N 7.835 128.824 121.300 -0.519 0.000 2.288 939 W HA 0.399 5.058 4.660 -0.001 0.000 0.325 939 W C -1.355 174.966 176.519 -0.330 0.000 1.019 939 W CA -1.333 55.563 57.345 -0.748 0.000 1.403 939 W CB -0.131 28.350 29.460 -1.632 0.000 1.226 939 W HN 0.446 nan 8.180 nan 0.000 0.391 940 I N 6.055 126.715 120.570 0.151 0.000 2.496 940 I HA 0.309 4.479 4.170 -0.001 0.000 0.285 940 I C 1.463 177.572 176.117 -0.014 0.000 1.080 940 I CA 1.029 62.346 61.300 0.029 0.000 1.404 940 I CB 0.752 38.806 38.000 0.090 0.000 1.403 940 I HN 0.787 nan 8.210 nan 0.000 0.539 941 G N 4.251 112.956 108.800 -0.158 0.000 2.141 941 G HA2 -0.188 3.772 3.960 -0.001 0.000 0.242 941 G HA3 -0.188 3.772 3.960 -0.001 0.000 0.242 941 G C 0.391 175.058 174.900 -0.388 0.000 0.982 941 G CA -0.142 44.857 45.100 -0.169 0.000 0.662 941 G HN 0.999 nan 8.290 nan 0.000 0.527 942 A N -0.314 122.011 122.820 -0.826 0.000 2.531 942 A HA 0.553 4.872 4.320 -0.001 0.000 0.236 942 A C 0.600 177.794 177.584 -0.650 0.000 1.062 942 A CA 0.822 52.049 52.037 -1.350 0.000 0.760 942 A CB 0.232 18.112 19.000 -1.868 0.000 0.995 942 A HN 0.648 nan 8.150 nan 0.000 0.501 943 Q N 0.834 120.330 119.800 -0.506 0.000 2.351 943 Q HA 0.524 4.864 4.340 -0.001 0.000 0.273 943 Q C 1.091 176.994 176.000 -0.162 0.000 1.077 943 Q CA -0.275 55.385 55.803 -0.238 0.000 0.843 943 Q CB 1.845 30.508 28.738 -0.126 0.000 1.367 943 Q HN 0.783 nan 8.270 nan 0.000 0.449 944 G N 0.125 108.861 108.800 -0.107 0.000 2.551 944 G HA2 -0.071 3.888 3.960 -0.001 0.000 0.216 944 G HA3 -0.071 3.888 3.960 -0.001 0.000 0.216 944 G C 0.223 175.103 174.900 -0.033 0.000 1.137 944 G CA 0.606 45.653 45.100 -0.087 0.000 0.798 944 G HN 0.455 nan 8.290 nan 0.000 0.536 945 Q N -1.539 118.259 119.800 -0.003 0.000 2.527 945 Q HA 0.506 4.845 4.340 -0.001 0.000 0.280 945 Q C -2.379 173.652 176.000 0.051 0.000 0.977 945 Q CA -0.915 54.902 55.803 0.022 0.000 0.837 945 Q CB 2.064 30.799 28.738 -0.005 0.000 1.454 945 Q HN 0.055 nan 8.270 nan 0.000 0.387 946 F N 1.216 121.078 119.950 -0.146 0.000 2.556 946 F HA 0.664 5.190 4.527 -0.001 0.000 0.314 946 F C 0.537 176.090 175.800 -0.411 0.000 1.106 946 F CA 0.449 58.294 58.000 -0.258 0.000 0.911 946 F CB 2.106 40.961 39.000 -0.241 0.000 1.190 946 F HN 0.675 nan 8.300 nan 0.000 0.448 947 G N 2.949 110.766 108.800 -1.638 0.000 2.157 947 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.239 947 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.239 947 G C 1.049 175.277 174.900 -1.120 0.000 0.982 947 G CA 0.282 44.148 45.100 -2.057 0.000 0.650 947 G HN 1.576 nan 8.290 nan 0.000 0.527 948 G N 1.304 109.741 108.800 -0.605 0.000 2.462 948 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.220 948 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.220 948 G C 1.275 176.115 174.900 -0.100 0.000 1.121 948 G CA 1.849 46.830 45.100 -0.199 0.000 0.758 948 G HN 0.856 nan 8.290 nan 0.000 0.559 949 D N -0.701 119.558 120.400 -0.235 0.000 2.339 949 D HA 0.013 4.652 4.640 -0.001 0.000 0.217 949 D C 0.377 176.676 176.300 -0.001 0.000 1.050 949 D CA -0.404 53.549 54.000 -0.078 0.000 0.856 949 D CB -0.865 39.897 40.800 -0.065 0.000 0.922 949 D HN 0.471 nan 8.370 nan 0.000 0.518 950 H N 1.142 120.107 119.070 -0.175 0.000 2.764 950 H HA 0.234 4.789 4.556 -0.001 0.000 0.341 950 H C -1.972 173.327 175.328 -0.047 0.000 1.072 950 H CA -1.753 54.215 56.048 -0.133 0.000 1.444 950 H CB 0.643 30.274 29.762 -0.217 0.000 1.458 950 H HN 0.012 nan 8.280 nan 0.000 0.572 951 P HA -0.045 nan 4.420 nan 0.000 0.268 951 P C -0.618 176.753 177.300 0.119 0.000 1.205 951 P CA -0.030 63.137 63.100 0.111 0.000 0.771 951 P CB 0.783 32.524 31.700 0.069 0.000 0.858 952 S N 2.010 117.817 115.700 0.177 0.000 2.434 952 S HA 0.594 5.063 4.470 -0.001 0.000 0.318 952 S C -0.032 174.674 174.600 0.178 0.000 1.062 952 S CA -0.572 57.759 58.200 0.220 0.000 1.116 952 S CB -0.636 62.813 63.200 0.416 0.000 0.977 952 S HN 0.497 nan 8.310 nan 0.000 0.480 953 A N 4.495 127.411 122.820 0.161 0.000 2.287 953 A HA 0.536 4.855 4.320 -0.001 0.000 0.273 953 A C 0.529 178.168 177.584 0.091 0.000 1.091 953 A CA -0.597 51.508 52.037 0.114 0.000 0.817 953 A CB 0.233 19.301 19.000 0.113 0.000 1.069 953 A HN 0.908 nan 8.150 nan 0.000 0.492 954 R N -0.039 120.483 120.500 0.037 0.000 2.638 954 R HA -0.040 4.300 4.340 -0.001 0.000 0.268 954 R C 1.441 177.735 176.300 -0.009 0.000 1.006 954 R CA 0.957 57.050 56.100 -0.011 0.000 1.088 954 R CB 0.328 30.609 30.300 -0.031 0.000 0.950 954 R HN 0.925 nan 8.270 nan 0.000 0.419 955 E N 1.899 122.054 120.200 -0.075 0.000 2.265 955 E HA -0.231 4.119 4.350 -0.001 0.000 0.196 955 E C 0.256 176.875 176.600 0.031 0.000 0.996 955 E CA 1.574 57.909 56.400 -0.109 0.000 0.832 955 E CB -0.035 29.578 29.700 -0.145 0.000 0.756 955 E HN 0.741 nan 8.360 nan 0.000 0.491 956 D N 0.587 120.971 120.400 -0.027 0.000 2.340 956 D HA 0.003 4.642 4.640 -0.001 0.000 0.220 956 D C 0.337 176.624 176.300 -0.021 0.000 1.039 956 D CA -0.143 53.800 54.000 -0.095 0.000 0.866 956 D CB -0.024 40.663 40.800 -0.188 0.000 0.913 956 D HN 0.170 nan 8.370 nan 0.000 0.523 957 L N 0.925 122.185 121.223 0.061 0.000 2.309 957 L HA 0.514 4.853 4.340 -0.001 0.000 0.282 957 L C -1.091 175.901 176.870 0.203 0.000 1.036 957 L CA -0.449 54.447 54.840 0.094 0.000 0.806 957 L CB 1.566 43.671 42.059 0.076 0.000 1.220 957 L HN -0.215 nan 8.230 nan 0.000 0.429 958 D N 2.457 122.999 120.400 0.237 0.000 2.575 958 D HA 0.370 5.009 4.640 -0.001 0.000 0.236 958 D C -1.292 175.167 176.300 0.266 0.000 1.075 958 D CA -0.275 53.891 54.000 0.276 0.000 0.860 958 D CB 2.408 43.417 40.800 0.349 0.000 1.475 958 D HN 0.236 nan 8.370 nan 0.000 0.474 959 V N 3.430 123.479 119.914 0.226 0.000 2.267 959 V HA 0.125 4.245 4.120 -0.001 0.000 0.254 959 V C 1.308 177.537 176.094 0.225 0.000 1.144 959 V CA -0.034 62.410 62.300 0.240 0.000 0.992 959 V CB 0.433 32.384 31.823 0.214 0.000 1.199 959 V HN 0.580 nan 8.190 nan 0.000 0.493 960 S N 3.076 118.937 115.700 0.270 0.000 2.382 960 S HA -0.009 4.460 4.470 -0.001 0.000 0.228 960 S C 0.658 175.311 174.600 0.088 0.000 1.027 960 S CA 0.860 59.171 58.200 0.185 0.000 0.991 960 S CB 0.171 63.540 63.200 0.283 0.000 0.823 960 S HN 0.503 nan 8.310 nan 0.000 0.469 961 V N 1.460 121.468 119.914 0.157 0.000 2.733 961 V HA 0.515 4.634 4.120 -0.001 0.000 0.306 961 V C -0.793 175.375 176.094 0.124 0.000 1.084 961 V CA -0.559 61.810 62.300 0.116 0.000 0.905 961 V CB 1.923 33.845 31.823 0.165 0.000 1.010 961 V HN 0.363 nan 8.190 nan 0.000 0.424 962 M N 5.523 125.116 119.600 -0.011 0.000 2.197 962 M HA 0.693 5.172 4.480 -0.001 0.000 0.301 962 M C -1.088 175.043 176.300 -0.281 0.000 0.987 962 M CA -0.504 54.654 55.300 -0.238 0.000 0.921 962 M CB 1.552 34.019 32.600 -0.222 0.000 1.569 962 M HN 0.748 nan 8.290 nan 0.000 0.431 963 R N 4.064 124.327 120.500 -0.395 0.000 2.510 963 R HA 0.416 4.756 4.340 -0.001 0.000 0.287 963 R C -1.382 174.699 176.300 -0.365 0.000 1.084 963 R CA -0.675 55.254 56.100 -0.286 0.000 0.934 963 R CB 1.834 32.052 30.300 -0.135 0.000 1.201 963 R HN 0.906 nan 8.270 nan 0.000 0.431 964 R N 4.464 124.802 120.500 -0.269 0.000 2.442 964 R HA 0.134 4.473 4.340 -0.001 0.000 0.291 964 R C 0.200 176.396 176.300 -0.174 0.000 1.069 964 R CA 0.077 56.044 56.100 -0.222 0.000 1.022 964 R CB 0.618 30.841 30.300 -0.129 0.000 0.976 964 R HN 0.696 nan 8.270 nan 0.000 0.443 965 L N 3.050 124.165 121.223 -0.181 0.000 2.616 965 L HA 0.146 4.485 4.340 -0.001 0.000 0.229 965 L C 0.243 177.066 176.870 -0.078 0.000 1.110 965 L CA 0.045 54.800 54.840 -0.140 0.000 0.884 965 L CB 0.437 42.383 42.059 -0.189 0.000 1.115 965 L HN 0.721 nan 8.230 nan 0.000 0.481 966 T N -2.778 111.739 114.554 -0.062 0.000 2.887 966 T HA 0.441 4.791 4.350 -0.001 0.000 0.288 966 T C -0.245 174.446 174.700 -0.014 0.000 1.021 966 T CA -0.925 61.155 62.100 -0.034 0.000 1.000 966 T CB 2.432 71.285 68.868 -0.024 0.000 1.034 966 T HN -0.091 nan 8.240 nan 0.000 0.467 967 K N 0.961 121.358 120.400 -0.005 0.000 2.120 967 K HA 0.312 4.632 4.320 -0.001 0.000 0.245 967 K C 1.635 178.246 176.600 0.018 0.000 1.024 967 K CA -0.232 56.062 56.287 0.012 0.000 0.906 967 K CB 0.551 33.057 32.500 0.009 0.000 1.051 967 K HN 0.808 nan 8.250 nan 0.000 0.491 968 S N -0.614 115.104 115.700 0.030 0.000 2.447 968 S HA -0.151 4.319 4.470 -0.001 0.000 0.233 968 S C 1.807 176.419 174.600 0.019 0.000 1.006 968 S CA 1.452 59.669 58.200 0.028 0.000 0.957 968 S CB -0.335 62.888 63.200 0.038 0.000 0.773 968 S HN 0.643 nan 8.310 nan 0.000 0.507 969 S N 1.591 117.301 115.700 0.016 0.000 2.522 969 S HA 0.428 4.897 4.470 -0.001 0.000 0.227 969 S C 0.838 175.443 174.600 0.009 0.000 0.986 969 S CA 0.047 58.255 58.200 0.013 0.000 0.929 969 S CB -0.637 62.570 63.200 0.013 0.000 0.769 969 S HN 0.766 nan 8.310 nan 0.000 0.529 970 A N 1.964 124.788 122.820 0.006 0.000 2.491 970 A HA 0.320 4.640 4.320 -0.001 0.000 0.261 970 A C 1.267 178.856 177.584 0.007 0.000 1.101 970 A CA -0.270 51.769 52.037 0.003 0.000 0.772 970 A CB 0.099 19.098 19.000 -0.002 0.000 1.043 970 A HN 0.494 nan 8.150 nan 0.000 0.501 971 K N 1.691 122.095 120.400 0.006 0.000 2.063 971 K HA -0.096 4.223 4.320 -0.001 0.000 0.208 971 K C 0.077 176.686 176.600 0.015 0.000 1.048 971 K CA 1.666 57.959 56.287 0.009 0.000 0.928 971 K CB -0.030 32.473 32.500 0.005 0.000 0.713 971 K HN 0.678 nan 8.250 nan 0.000 0.442 972 T N 2.420 116.980 114.554 0.010 0.000 2.781 972 T HA 0.185 4.534 4.350 -0.001 0.000 0.305 972 T C -0.787 173.928 174.700 0.024 0.000 1.001 972 T CA -0.670 61.440 62.100 0.016 0.000 0.950 972 T CB 1.434 70.302 68.868 -0.001 0.000 0.955 972 T HN 0.074 nan 8.240 nan 0.000 0.471 973 Q N 2.712 122.545 119.800 0.055 0.000 2.340 973 Q HA 0.418 4.757 4.340 -0.001 0.000 0.249 973 Q C 0.087 176.143 176.000 0.094 0.000 0.957 973 Q CA 0.027 55.865 55.803 0.057 0.000 0.882 973 Q CB 1.329 30.099 28.738 0.054 0.000 1.235 973 Q HN 0.549 nan 8.270 nan 0.000 0.439 974 R N 0.303 120.823 120.500 0.033 0.000 2.628 974 R HA 0.643 4.982 4.340 -0.001 0.000 0.288 974 R C -1.146 175.106 176.300 -0.080 0.000 0.980 974 R CA -0.640 55.464 56.100 0.006 0.000 0.891 974 R CB 1.875 32.144 30.300 -0.052 0.000 1.188 974 R HN 0.259 nan 8.270 nan 0.000 0.450 975 V N 1.484 121.343 119.914 -0.092 0.000 2.531 975 V HA 0.598 4.718 4.120 -0.001 0.000 0.301 975 V C 0.184 175.983 176.094 -0.491 0.000 1.034 975 V CA -0.849 61.259 62.300 -0.320 0.000 0.865 975 V CB 2.045 33.688 31.823 -0.301 0.000 0.995 975 V HN 0.943 nan 8.190 nan 0.000 0.424 976 G N 2.941 111.251 108.800 -0.817 0.000 2.371 976 G HA2 0.664 4.623 3.960 -0.001 0.000 0.326 976 G HA3 0.664 4.623 3.960 -0.001 0.000 0.326 976 G C -1.641 172.814 174.900 -0.742 0.000 1.127 976 G CA -0.290 44.147 45.100 -1.105 0.000 0.885 976 G HN 0.504 nan 8.290 nan 0.000 0.477 977 Y N 0.291 120.649 120.300 0.098 0.000 2.442 977 Y HA 0.480 5.030 4.550 -0.001 0.000 0.344 977 Y C -0.147 176.022 175.900 0.448 0.000 0.976 977 Y CA -0.906 57.355 58.100 0.268 0.000 1.040 977 Y CB 2.808 41.395 38.460 0.213 0.000 1.228 977 Y HN 0.343 nan 8.280 nan 0.000 0.451 978 V N 5.112 125.329 119.914 0.505 0.000 2.357 978 V HA 0.394 4.513 4.120 -0.001 0.000 0.284 978 V C -0.423 175.901 176.094 0.384 0.000 1.018 978 V CA -0.757 61.767 62.300 0.373 0.000 0.841 978 V CB 1.260 33.252 31.823 0.283 0.000 0.991 978 V HN 0.590 nan 8.190 nan 0.000 0.437 979 L N 4.792 126.227 121.223 0.354 0.000 2.307 979 L HA 0.586 4.926 4.340 -0.001 0.000 0.284 979 L C -0.680 176.393 176.870 0.337 0.000 1.023 979 L CA -0.598 54.443 54.840 0.335 0.000 0.810 979 L CB 1.486 43.738 42.059 0.322 0.000 1.231 979 L HN 0.703 nan 8.230 nan 0.000 0.423 980 H N 3.762 122.983 119.070 0.252 0.000 2.529 980 H HA 0.445 5.000 4.556 -0.001 0.000 0.348 980 H C -1.097 174.315 175.328 0.139 0.000 1.079 980 H CA -0.613 55.552 56.048 0.195 0.000 1.198 980 H CB 1.509 31.454 29.762 0.304 0.000 1.521 980 H HN 0.460 nan 8.280 nan 0.000 0.514 981 R N 4.273 124.428 120.500 -0.575 0.000 2.387 981 R HA 0.318 4.657 4.340 -0.001 0.000 0.314 981 R C -0.405 175.438 176.300 -0.761 0.000 0.958 981 R CA -0.496 55.322 56.100 -0.470 0.000 0.846 981 R CB 1.363 31.523 30.300 -0.233 0.000 1.147 981 R HN 0.764 nan 8.270 nan 0.000 0.447 982 T N 1.494 115.750 114.554 -0.497 0.000 2.814 982 T HA 0.181 4.530 4.350 -0.001 0.000 0.284 982 T C -0.503 174.005 174.700 -0.319 0.000 0.998 982 T CA -0.445 61.456 62.100 -0.332 0.000 0.935 982 T CB 0.622 69.379 68.868 -0.185 0.000 1.167 982 T HN 0.669 nan 8.240 nan 0.000 0.545 983 N N 0.781 119.319 118.700 -0.270 0.000 2.399 983 N HA 0.469 5.209 4.740 -0.001 0.000 0.284 983 N C -1.399 173.943 175.510 -0.280 0.000 1.025 983 N CA -0.491 52.346 53.050 -0.356 0.000 0.885 983 N CB 0.611 38.730 38.487 -0.613 0.000 1.339 983 N HN 0.464 nan 8.380 nan 0.000 0.487 984 L N 2.514 123.569 121.223 -0.279 0.000 2.331 984 L HA 0.536 4.876 4.340 -0.001 0.000 0.275 984 L C 0.545 177.287 176.870 -0.214 0.000 1.022 984 L CA -1.049 53.662 54.840 -0.215 0.000 0.812 984 L CB 1.444 43.386 42.059 -0.196 0.000 1.257 984 L HN 0.358 nan 8.230 nan 0.000 0.435 985 M N 2.216 121.712 119.600 -0.174 0.000 2.248 985 M HA 0.048 4.527 4.480 -0.001 0.000 0.345 985 M C -0.114 176.098 176.300 -0.147 0.000 1.243 985 M CA 0.228 55.431 55.300 -0.163 0.000 1.090 985 M CB 0.357 32.862 32.600 -0.158 0.000 1.683 985 M HN 0.491 nan 8.290 nan 0.000 0.450 986 Q N 2.257 121.975 119.800 -0.137 0.000 2.294 986 Q HA 0.202 4.541 4.340 -0.001 0.000 0.257 986 Q C -0.181 175.762 176.000 -0.096 0.000 0.955 986 Q CA 0.106 55.843 55.803 -0.111 0.000 0.936 986 Q CB 0.962 29.638 28.738 -0.102 0.000 1.188 986 Q HN 0.789 nan 8.270 nan 0.000 0.420 987 c N 0.701 119.248 118.600 -0.088 0.000 3.098 987 c HA 0.359 4.929 4.570 -0.001 0.000 0.265 987 c C 1.208 175.260 174.090 -0.063 0.000 1.572 987 c CA -0.106 56.176 56.329 -0.077 0.000 1.788 987 c CB -0.406 42.052 42.510 -0.086 0.000 2.982 987 c HN 1.029 nan 8.230 nan 0.000 0.532 988 G N 1.591 110.355 108.800 -0.060 0.000 2.132 988 G HA2 -0.208 3.751 3.960 -0.001 0.000 0.234 988 G HA3 -0.208 3.751 3.960 -0.001 0.000 0.234 988 G C -0.028 174.844 174.900 -0.046 0.000 0.989 988 G CA 0.416 45.487 45.100 -0.049 0.000 0.676 988 G HN 0.469 nan 8.290 nan 0.000 0.522 989 T N 2.690 117.212 114.554 -0.053 0.000 2.737 989 T HA 0.481 4.830 4.350 -0.001 0.000 0.296 989 T C -1.723 172.948 174.700 -0.049 0.000 0.922 989 T CA -0.546 61.524 62.100 -0.049 0.000 1.079 989 T CB 1.422 70.257 68.868 -0.054 0.000 0.892 989 T HN 0.185 nan 8.240 nan 0.000 0.514 990 P HA 0.086 nan 4.420 nan 0.000 0.264 990 P C 0.105 177.378 177.300 -0.044 0.000 1.193 990 P CA -0.217 62.861 63.100 -0.036 0.000 0.763 990 P CB 0.440 32.127 31.700 -0.023 0.000 0.810 991 E N 2.917 123.088 120.200 -0.049 0.000 2.376 991 E HA 0.018 4.367 4.350 -0.001 0.000 0.266 991 E C 0.103 176.667 176.600 -0.060 0.000 1.009 991 E CA -0.406 55.956 56.400 -0.064 0.000 0.902 991 E CB 0.596 30.258 29.700 -0.063 0.000 0.972 991 E HN 0.490 nan 8.360 nan 0.000 0.439 992 E N 3.414 123.549 120.200 -0.109 0.000 2.283 992 E HA 0.093 4.442 4.350 -0.001 0.000 0.267 992 E C -0.561 175.924 176.600 -0.192 0.000 1.045 992 E CA -0.841 55.467 56.400 -0.153 0.000 0.884 992 E CB 0.364 29.864 29.700 -0.333 0.000 1.106 992 E HN 0.648 nan 8.360 nan 0.000 0.408 993 H N -0.250 118.812 119.070 -0.012 0.000 3.209 993 H HA 0.079 4.634 4.556 -0.001 0.000 0.297 993 H C -0.461 174.870 175.328 0.005 0.000 0.936 993 H CA 0.582 56.626 56.048 -0.006 0.000 1.392 993 H CB -0.126 29.633 29.762 -0.006 0.000 1.349 993 H HN 0.610 nan 8.280 nan 0.000 0.568 994 T N 0.935 115.479 114.554 -0.018 0.000 2.896 994 T HA 0.369 4.718 4.350 -0.001 0.000 0.297 994 T C -0.418 174.323 174.700 0.067 0.000 1.108 994 T CA -1.360 60.748 62.100 0.013 0.000 1.004 994 T CB 1.732 70.578 68.868 -0.036 0.000 1.159 994 T HN 0.773 nan 8.240 nan 0.000 0.499 995 Q N 1.015 120.869 119.800 0.091 0.000 2.288 995 Q HA 0.329 4.668 4.340 -0.001 0.000 0.254 995 Q C -0.113 175.914 176.000 0.045 0.000 0.932 995 Q CA -0.639 55.208 55.803 0.073 0.000 0.902 995 Q CB 1.222 30.016 28.738 0.093 0.000 1.203 995 Q HN 0.545 nan 8.270 nan 0.000 0.415 996 K N 2.162 122.576 120.400 0.022 0.000 2.451 996 K HA 0.044 4.363 4.320 -0.001 0.000 0.280 996 K C -0.897 175.703 176.600 0.001 0.000 1.020 996 K CA -0.263 56.026 56.287 0.003 0.000 1.008 996 K CB 0.339 32.831 32.500 -0.014 0.000 0.917 996 K HN 0.392 nan 8.250 nan 0.000 0.478 997 L N 4.715 125.935 121.223 -0.005 0.000 2.264 997 L HA 0.271 4.610 4.340 -0.001 0.000 0.289 997 L C -1.051 175.778 176.870 -0.068 0.000 1.044 997 L CA 0.001 54.829 54.840 -0.021 0.000 0.807 997 L CB 1.218 43.275 42.059 -0.002 0.000 1.192 997 L HN 0.590 nan 8.230 nan 0.000 0.425 998 D N 3.572 123.924 120.400 -0.081 0.000 2.472 998 D HA 0.164 4.804 4.640 -0.001 0.000 0.234 998 D C 1.045 177.243 176.300 -0.170 0.000 1.088 998 D CA -0.266 53.663 54.000 -0.118 0.000 0.882 998 D CB 1.234 42.008 40.800 -0.042 0.000 1.037 998 D HN 0.393 nan 8.370 nan 0.000 0.520 999 V N 1.404 121.117 119.914 -0.337 0.000 2.594 999 V HA -0.175 3.944 4.120 -0.001 0.000 0.253 999 V C 2.146 177.927 176.094 -0.522 0.000 1.069 999 V CA 1.047 62.971 62.300 -0.627 0.000 1.082 999 V CB -1.085 30.076 31.823 -1.103 0.000 0.680 999 V HN 0.610 nan 8.190 nan 0.000 0.469 1000 c N 0.587 119.013 118.600 -0.289 0.000 2.437 1000 c HA -0.001 4.568 4.570 -0.001 0.000 0.283 1000 c C 2.043 176.021 174.090 -0.187 0.000 1.424 1000 c CA 1.274 57.500 56.329 -0.171 0.000 1.782 1000 c CB -1.843 40.554 42.510 -0.188 0.000 1.833 1000 c HN 0.771 nan 8.230 nan 0.000 0.532 1001 H N -1.044 118.000 119.070 -0.045 0.000 2.505 1001 H HA 0.275 4.830 4.556 -0.001 0.000 0.286 1001 H C 1.624 176.982 175.328 0.049 0.000 1.072 1001 H CA -0.062 56.001 56.048 0.024 0.000 1.141 1001 H CB 0.059 29.817 29.762 -0.006 0.000 1.550 1001 H HN 0.338 nan 8.280 nan 0.000 0.547 1002 L N -0.140 121.143 121.223 0.099 0.000 2.217 1002 L HA 0.022 4.361 4.340 -0.001 0.000 0.211 1002 L C 0.166 177.182 176.870 0.243 0.000 1.107 1002 L CA 0.866 55.794 54.840 0.146 0.000 0.783 1002 L CB 0.171 42.282 42.059 0.086 0.000 0.919 1002 L HN 0.215 nan 8.230 nan 0.000 0.442 1003 L N -0.140 121.188 121.223 0.176 0.000 2.334 1003 L HA 0.412 4.751 4.340 -0.001 0.000 0.273 1003 L C -2.092 174.836 176.870 0.097 0.000 1.013 1003 L CA -1.996 52.883 54.840 0.064 0.000 0.816 1003 L CB 1.653 43.532 42.059 -0.300 0.000 1.278 1003 L HN -0.200 nan 8.230 nan 0.000 0.431 1004 P HA 0.140 nan 4.420 nan 0.000 0.277 1004 P C -0.784 176.630 177.300 0.190 0.000 1.271 1004 P CA -0.268 62.906 63.100 0.123 0.000 0.795 1004 P CB 0.428 32.177 31.700 0.082 0.000 1.101 1005 N N -3.074 115.717 118.700 0.152 0.000 2.735 1005 N HA -0.135 4.605 4.740 -0.001 0.000 0.248 1005 N C -0.024 175.569 175.510 0.139 0.000 1.083 1005 N CA 0.417 53.547 53.050 0.134 0.000 0.703 1005 N CB -2.206 36.349 38.487 0.113 0.000 1.005 1005 N HN 0.309 nan 8.380 nan 0.000 0.550 1006 V N 0.094 120.051 119.914 0.072 0.000 2.585 1006 V HA 0.325 4.444 4.120 -0.001 0.000 0.296 1006 V C 1.364 177.357 176.094 -0.169 0.000 1.035 1006 V CA 1.080 63.243 62.300 -0.228 0.000 1.084 1006 V CB 1.182 32.769 31.823 -0.393 0.000 0.953 1006 V HN 0.447 nan 8.190 nan 0.000 0.483 1007 A N 6.994 129.691 122.820 -0.205 0.000 2.259 1007 A HA 0.489 4.808 4.320 -0.001 0.000 0.213 1007 A C 0.934 178.480 177.584 -0.063 0.000 1.209 1007 A CA 0.047 52.028 52.037 -0.093 0.000 0.910 1007 A CB 0.243 19.205 19.000 -0.064 0.000 0.946 1007 A HN 0.787 nan 8.150 nan 0.000 0.497 1008 R N -1.711 118.721 120.500 -0.113 0.000 2.634 1008 R HA 0.467 4.806 4.340 -0.001 0.000 0.263 1008 R C -2.317 173.946 176.300 -0.061 0.000 1.060 1008 R CA -0.337 55.759 56.100 -0.006 0.000 0.898 1008 R CB 1.353 31.679 30.300 0.044 0.000 1.253 1008 R HN 0.283 nan 8.270 nan 0.000 0.461 1009 c N 2.742 121.342 118.600 -0.001 0.000 2.431 1009 c HA 0.622 5.192 4.570 -0.001 0.000 0.321 1009 c C -1.118 173.035 174.090 0.105 0.000 1.202 1009 c CA -0.197 56.136 56.329 0.007 0.000 1.398 1009 c CB 1.189 43.661 42.510 -0.062 0.000 2.047 1009 c HN 0.914 nan 8.230 nan 0.000 0.465 1010 E N 2.994 123.294 120.200 0.166 0.000 2.266 1010 E HA 0.439 4.789 4.350 -0.001 0.000 0.268 1010 E C -0.917 175.845 176.600 0.270 0.000 0.879 1010 E CA -0.606 55.913 56.400 0.200 0.000 0.762 1010 E CB 1.867 31.661 29.700 0.157 0.000 1.199 1010 E HN 0.642 nan 8.360 nan 0.000 0.422 1011 R N 1.444 122.086 120.500 0.236 0.000 2.390 1011 R HA 0.328 4.667 4.340 -0.001 0.000 0.291 1011 R C -0.508 175.823 176.300 0.051 0.000 1.070 1011 R CA 0.112 56.280 56.100 0.114 0.000 1.014 1011 R CB 0.659 31.000 30.300 0.068 0.000 1.007 1011 R HN 0.690 nan 8.270 nan 0.000 0.466 1012 T N -0.351 114.207 114.554 0.006 0.000 2.887 1012 T HA 0.342 4.691 4.350 -0.001 0.000 0.292 1012 T C 0.070 174.762 174.700 -0.014 0.000 1.087 1012 T CA -0.787 61.342 62.100 0.047 0.000 1.009 1012 T CB 1.395 70.362 68.868 0.164 0.000 1.203 1012 T HN 0.628 nan 8.240 nan 0.000 0.518 1013 T N 0.213 114.762 114.554 -0.009 0.000 2.791 1013 T HA 0.193 4.543 4.350 -0.001 0.000 0.323 1013 T C 1.589 176.223 174.700 -0.109 0.000 1.082 1013 T CA -0.664 61.409 62.100 -0.045 0.000 1.084 1013 T CB -0.066 68.790 68.868 -0.021 0.000 0.992 1013 T HN 0.572 nan 8.240 nan 0.000 0.547 1014 L N 1.150 122.289 121.223 -0.140 0.000 2.362 1014 L HA -0.030 4.309 4.340 -0.001 0.000 0.219 1014 L C 2.863 179.444 176.870 -0.481 0.000 1.134 1014 L CA 1.370 56.060 54.840 -0.250 0.000 0.807 1014 L CB -1.043 40.948 42.059 -0.113 0.000 0.927 1014 L HN 0.986 nan 8.230 nan 0.000 0.447 1015 T N -4.816 109.559 114.554 -0.299 0.000 3.113 1015 T HA -0.014 4.336 4.350 -0.001 0.000 0.256 1015 T C 0.742 175.322 174.700 -0.200 0.000 1.131 1015 T CA -0.157 61.785 62.100 -0.263 0.000 1.074 1015 T CB -0.137 68.707 68.868 -0.040 0.000 0.944 1015 T HN 0.210 nan 8.240 nan 0.000 0.516 1016 F N -0.974 118.990 119.950 0.022 0.000 2.840 1016 F HA -0.177 4.349 4.527 -0.001 0.000 0.310 1016 F C 0.997 176.798 175.800 0.003 0.000 0.688 1016 F CA -0.158 57.848 58.000 0.010 0.000 1.286 1016 F CB -2.316 36.685 39.000 0.003 0.000 1.612 1016 F HN 0.239 nan 8.300 nan 0.000 0.335 1017 L N -0.927 120.369 121.223 0.123 0.000 2.477 1017 L HA 0.116 4.455 4.340 -0.001 0.000 0.220 1017 L C 1.071 177.965 176.870 0.039 0.000 1.106 1017 L CA 0.849 55.731 54.840 0.071 0.000 0.851 1017 L CB 0.210 42.293 42.059 0.040 0.000 0.994 1017 L HN 0.326 nan 8.230 nan 0.000 0.462 1018 Q N 0.397 120.221 119.800 0.039 0.000 2.323 1018 Q HA 0.281 4.621 4.340 -0.001 0.000 0.271 1018 Q C -1.167 174.853 176.000 0.034 0.000 1.048 1018 Q CA -0.720 55.094 55.803 0.020 0.000 0.792 1018 Q CB 1.930 30.665 28.738 -0.004 0.000 1.280 1018 Q HN 0.075 nan 8.270 nan 0.000 0.441 1019 N N 4.313 123.031 118.700 0.031 0.000 2.458 1019 N HA 0.195 4.934 4.740 -0.001 0.000 0.270 1019 N C 0.262 175.792 175.510 0.033 0.000 1.102 1019 N CA 0.193 53.269 53.050 0.043 0.000 0.967 1019 N CB 1.128 39.639 38.487 0.040 0.000 1.078 1019 N HN 0.641 nan 8.380 nan 0.000 0.471 1020 L N 0.553 121.800 121.223 0.040 0.000 2.537 1020 L HA 0.293 4.632 4.340 -0.001 0.000 0.224 1020 L C 0.610 177.508 176.870 0.047 0.000 1.065 1020 L CA 0.403 55.260 54.840 0.028 0.000 0.860 1020 L CB 0.332 42.397 42.059 0.009 0.000 1.086 1020 L HN 0.522 nan 8.230 nan 0.000 0.482 1021 E N -0.365 119.881 120.200 0.078 0.000 2.321 1021 E HA 0.129 4.478 4.350 -0.001 0.000 0.281 1021 E C -1.280 175.412 176.600 0.153 0.000 0.910 1021 E CA -0.567 55.893 56.400 0.100 0.000 0.770 1021 E CB 1.490 31.241 29.700 0.085 0.000 1.225 1021 E HN 0.085 nan 8.360 nan 0.000 0.417 1022 H N 6.033 125.127 119.070 0.040 0.000 2.668 1022 H HA 0.309 4.864 4.556 -0.001 0.000 0.303 1022 H C -0.847 174.504 175.328 0.040 0.000 1.074 1022 H CA -0.459 55.610 56.048 0.036 0.000 1.406 1022 H CB 0.714 30.488 29.762 0.019 0.000 1.442 1022 H HN 0.409 nan 8.280 nan 0.000 0.482 1023 L N 5.448 126.525 121.223 -0.244 0.000 2.275 1023 L HA 0.109 4.448 4.340 -0.001 0.000 0.288 1023 L C 0.180 176.877 176.870 -0.289 0.000 1.046 1023 L CA -0.841 53.892 54.840 -0.179 0.000 0.805 1023 L CB 1.157 43.182 42.059 -0.056 0.000 1.193 1023 L HN 0.653 nan 8.230 nan 0.000 0.426 1024 D N 2.773 123.063 120.400 -0.182 0.000 2.455 1024 D HA 0.121 4.760 4.640 -0.001 0.000 0.241 1024 D C 1.177 177.421 176.300 -0.093 0.000 1.138 1024 D CA 1.164 55.080 54.000 -0.141 0.000 0.877 1024 D CB 1.271 42.026 40.800 -0.075 0.000 1.187 1024 D HN 0.844 nan 8.370 nan 0.000 0.451 1025 G N 2.796 111.554 108.800 -0.070 0.000 2.175 1025 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.265 1025 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.265 1025 G C 0.792 175.714 174.900 0.037 0.000 0.979 1025 G CA 0.488 45.580 45.100 -0.013 0.000 0.663 1025 G HN 0.641 nan 8.290 nan 0.000 0.533 1026 M N -2.619 116.960 119.600 -0.035 0.000 2.576 1026 M HA -0.190 4.289 4.480 -0.001 0.000 0.200 1026 M C 0.115 176.432 176.300 0.027 0.000 0.487 1026 M CA 0.901 56.175 55.300 -0.043 0.000 0.553 1026 M CB -1.904 30.649 32.600 -0.078 0.000 2.042 1026 M HN 0.220 nan 8.290 nan 0.000 0.758 1027 V N 0.795 120.715 119.914 0.009 0.000 2.398 1027 V HA 0.723 4.843 4.120 -0.001 0.000 0.286 1027 V C 0.653 176.664 176.094 -0.139 0.000 1.026 1027 V CA -0.320 61.975 62.300 -0.008 0.000 0.868 1027 V CB 1.746 33.555 31.823 -0.023 0.000 0.982 1027 V HN 0.387 nan 8.190 nan 0.000 0.443 1028 A N 7.858 130.511 122.820 -0.278 0.000 2.279 1028 A HA 0.743 5.062 4.320 -0.001 0.000 0.306 1028 A C -2.427 174.874 177.584 -0.472 0.000 1.300 1028 A CA -1.454 50.188 52.037 -0.659 0.000 0.925 1028 A CB 0.098 18.400 19.000 -1.164 0.000 1.152 1028 A HN 0.641 nan 8.150 nan 0.000 0.544 1029 P HA 0.166 nan 4.420 nan 0.000 0.272 1029 P C -0.077 177.204 177.300 -0.031 0.000 1.223 1029 P CA -0.124 62.924 63.100 -0.086 0.000 0.784 1029 P CB 0.561 32.276 31.700 0.025 0.000 0.923 1030 E N -0.178 120.022 120.200 0.001 0.000 2.371 1030 E HA 0.261 4.610 4.350 -0.001 0.000 0.257 1030 E C 0.017 176.666 176.600 0.083 0.000 1.134 1030 E CA -0.807 55.622 56.400 0.049 0.000 0.919 1030 E CB 0.482 30.191 29.700 0.016 0.000 1.025 1030 E HN 0.270 nan 8.360 nan 0.000 0.438 1031 V N -1.496 118.469 119.914 0.086 0.000 3.096 1031 V HA 0.373 4.492 4.120 -0.001 0.000 0.319 1031 V C 0.141 176.236 176.094 0.003 0.000 1.082 1031 V CA -1.111 61.228 62.300 0.065 0.000 1.022 1031 V CB 1.267 33.134 31.823 0.073 0.000 1.103 1031 V HN 0.741 nan 8.190 nan 0.000 0.455 1032 c N 2.301 120.897 118.600 -0.006 0.000 2.580 1032 c HA 0.452 5.021 4.570 -0.001 0.000 0.371 1032 c C -2.093 171.940 174.090 -0.095 0.000 1.308 1032 c CA -0.347 55.960 56.329 -0.037 0.000 2.428 1032 c CB 0.075 42.580 42.510 -0.009 0.000 2.529 1032 c HN 0.816 nan 8.230 nan 0.000 0.657 1033 P HA 0.040 nan 4.420 nan 0.000 0.262 1033 P C 0.239 177.387 177.300 -0.254 0.000 1.182 1033 P CA 0.971 63.934 63.100 -0.228 0.000 0.761 1033 P CB 0.169 31.716 31.700 -0.255 0.000 0.795 1034 M N -1.028 118.372 119.600 -0.332 0.000 2.939 1034 M HA -0.178 4.301 4.480 -0.001 0.000 0.194 1034 M C -0.155 176.161 176.300 0.027 0.000 0.617 1034 M CA 1.367 56.471 55.300 -0.327 0.000 0.734 1034 M CB -2.081 30.010 32.600 -0.849 0.000 2.637 1034 M HN 0.413 nan 8.290 nan 0.000 0.316 1035 E N 0.374 120.575 120.200 0.002 0.000 2.222 1035 E HA 0.718 5.067 4.350 -0.001 0.000 0.267 1035 E C 0.036 176.717 176.600 0.136 0.000 0.963 1035 E CA -0.151 56.325 56.400 0.127 0.000 0.837 1035 E CB 1.565 31.302 29.700 0.061 0.000 1.183 1035 E HN 0.132 nan 8.360 nan 0.000 0.403 1036 T N 0.547 115.193 114.554 0.154 0.000 2.881 1036 T HA 0.688 5.037 4.350 -0.001 0.000 0.290 1036 T C -0.819 173.899 174.700 0.030 0.000 1.000 1036 T CA -0.657 61.541 62.100 0.163 0.000 0.978 1036 T CB 1.614 70.586 68.868 0.173 0.000 0.997 1036 T HN 0.520 nan 8.240 nan 0.000 0.443 1037 A N 1.869 124.709 122.820 0.033 0.000 2.469 1037 A HA 1.008 5.327 4.320 -0.001 0.000 0.299 1037 A C -1.030 176.456 177.584 -0.163 0.000 1.098 1037 A CA -0.940 51.018 52.037 -0.132 0.000 0.737 1037 A CB 1.533 20.403 19.000 -0.216 0.000 1.312 1037 A HN 1.123 nan 8.150 nan 0.000 0.414 1038 A N 0.123 122.753 122.820 -0.316 0.000 2.386 1038 A HA 0.827 5.146 4.320 -0.001 0.000 0.311 1038 A C -1.631 175.766 177.584 -0.311 0.000 1.068 1038 A CA -0.360 51.613 52.037 -0.107 0.000 0.743 1038 A CB 0.826 19.823 19.000 -0.005 0.000 1.258 1038 A HN 0.863 nan 8.150 nan 0.000 0.429 1039 Y N -0.056 120.457 120.300 0.354 0.000 2.512 1039 Y HA 0.585 5.134 4.550 -0.001 0.000 0.348 1039 Y C -0.279 175.777 175.900 0.259 0.000 0.990 1039 Y CA -0.913 57.343 58.100 0.261 0.000 1.033 1039 Y CB 2.514 41.089 38.460 0.191 0.000 1.259 1039 Y HN 0.414 nan 8.280 nan 0.000 0.461 1040 V N 2.335 122.434 119.914 0.308 0.000 2.483 1040 V HA 0.484 4.603 4.120 -0.001 0.000 0.297 1040 V C -0.669 175.499 176.094 0.123 0.000 1.027 1040 V CA -0.943 61.432 62.300 0.125 0.000 0.855 1040 V CB 1.696 33.534 31.823 0.024 0.000 0.995 1040 V HN 0.827 nan 8.190 nan 0.000 0.424 1041 S N 3.439 119.218 115.700 0.131 0.000 2.508 1041 S HA 0.729 5.199 4.470 -0.001 0.000 0.284 1041 S C -0.218 174.310 174.600 -0.120 0.000 1.192 1041 S CA -0.592 57.611 58.200 0.005 0.000 1.070 1041 S CB 1.607 64.879 63.200 0.120 0.000 1.004 1041 S HN 0.561 nan 8.310 nan 0.000 0.493 1042 S N 2.408 117.916 115.700 -0.321 0.000 2.501 1042 S HA 0.546 5.015 4.470 -0.001 0.000 0.301 1042 S C -0.899 173.386 174.600 -0.526 0.000 1.096 1042 S CA -0.773 57.281 58.200 -0.245 0.000 1.063 1042 S CB 0.544 63.676 63.200 -0.114 0.000 1.042 1042 S HN 0.794 nan 8.310 nan 0.000 0.494 1043 H N 0.498 119.556 119.070 -0.019 0.000 2.771 1043 H HA 0.339 4.895 4.556 -0.001 0.000 0.361 1043 H C -0.768 174.555 175.328 -0.010 0.000 1.108 1043 H CA -0.613 55.425 56.048 -0.015 0.000 1.201 1043 H CB 1.697 31.451 29.762 -0.013 0.000 1.681 1043 H HN 0.454 nan 8.280 nan 0.000 0.534 1044 S N 2.031 117.784 115.700 0.088 0.000 2.531 1044 S HA 0.245 4.714 4.470 -0.001 0.000 0.279 1044 S C 0.589 175.227 174.600 0.064 0.000 1.305 1044 S CA -0.293 57.940 58.200 0.056 0.000 1.058 1044 S CB 0.554 63.776 63.200 0.036 0.000 0.899 1044 S HN 0.735 nan 8.310 nan 0.000 0.493 1045 S N 0.000 115.727 115.700 0.045 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.221 58.200 0.034 0.000 1.107 1045 S CB 0.000 63.219 63.200 0.031 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517