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 2ow6_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 0.012 0.000 1.003 30 Q CA 0.000 55.808 55.803 0.008 0.000 1.022 30 Q CB 0.000 28.739 28.738 0.001 0.000 1.108 31 c N 2.038 120.642 118.600 0.005 0.000 2.676 31 c HA 0.485 5.054 4.570 -0.001 0.000 0.416 31 c C 0.751 174.852 174.090 0.019 0.000 1.299 31 c CA -0.194 56.141 56.329 0.009 0.000 2.048 31 c CB 0.054 42.556 42.510 -0.013 0.000 2.713 31 c HN 0.699 nan 8.230 nan 0.000 0.624 32 Q N 1.581 121.407 119.800 0.044 0.000 2.364 32 Q HA 0.080 4.419 4.340 -0.001 0.000 0.267 32 Q C -0.073 175.955 176.000 0.048 0.000 0.999 32 Q CA 0.252 56.095 55.803 0.068 0.000 0.886 32 Q CB 0.560 29.377 28.738 0.132 0.000 1.243 32 Q HN 0.633 nan 8.270 nan 0.000 0.415 33 D N 1.686 122.116 120.400 0.050 0.000 2.317 33 D HA 0.061 4.700 4.640 -0.001 0.000 0.252 33 D C 0.452 176.794 176.300 0.070 0.000 1.174 33 D CA -0.190 53.821 54.000 0.018 0.000 0.866 33 D CB 1.302 42.111 40.800 0.015 0.000 1.127 33 D HN 0.379 nan 8.370 nan 0.000 0.467 34 V N 2.130 122.041 119.914 -0.006 0.000 3.647 34 V HA 0.112 4.231 4.120 -0.001 0.000 0.279 34 V C 1.069 177.200 176.094 0.061 0.000 1.314 34 V CA 0.052 62.405 62.300 0.089 0.000 1.125 34 V CB 0.274 31.980 31.823 -0.194 0.000 0.907 34 V HN 0.389 nan 8.190 nan 0.000 0.434 35 V N -0.047 119.825 119.914 -0.070 0.000 2.911 35 V HA 0.104 4.223 4.120 -0.001 0.000 0.237 35 V C 2.292 178.359 176.094 -0.044 0.000 1.156 35 V CA 1.241 63.453 62.300 -0.147 0.000 1.180 35 V CB 0.073 31.763 31.823 -0.222 0.000 0.932 35 V HN 0.471 nan 8.190 nan 0.000 0.483 36 Q N -0.269 119.554 119.800 0.038 0.000 2.384 36 Q HA 0.129 4.468 4.340 -0.001 0.000 0.207 36 Q C -0.498 175.581 176.000 0.132 0.000 0.904 36 Q CA 0.337 56.180 55.803 0.066 0.000 0.933 36 Q CB 0.629 29.382 28.738 0.025 0.000 1.077 36 Q HN 0.516 nan 8.270 nan 0.000 0.522 37 D N 1.028 121.538 120.400 0.184 0.000 2.425 37 D HA 0.196 4.835 4.640 -0.001 0.000 0.240 37 D C -0.748 175.672 176.300 0.200 0.000 1.080 37 D CA -0.313 53.782 54.000 0.159 0.000 0.836 37 D CB 2.454 43.324 40.800 0.116 0.000 1.125 37 D HN -0.188 nan 8.370 nan 0.000 0.525 38 V N 4.423 124.418 119.914 0.136 0.000 2.427 38 V HA 0.165 4.284 4.120 -0.001 0.000 0.268 38 V C -1.942 174.135 176.094 -0.027 0.000 1.046 38 V CA -1.245 61.064 62.300 0.014 0.000 0.970 38 V CB 0.669 32.504 31.823 0.020 0.000 1.001 38 V HN 0.304 nan 8.190 nan 0.000 0.476 39 P HA 0.080 nan 4.420 nan 0.000 0.269 39 P C -0.449 176.825 177.300 -0.044 0.000 1.209 39 P CA -0.177 62.895 63.100 -0.045 0.000 0.776 39 P CB 0.384 32.039 31.700 -0.075 0.000 0.876 40 N N 2.593 121.282 118.700 -0.019 0.000 2.500 40 N HA 0.298 5.038 4.740 -0.001 0.000 0.236 40 N C -1.146 174.356 175.510 -0.014 0.000 1.022 40 N CA -0.395 52.646 53.050 -0.015 0.000 0.935 40 N CB -0.060 38.426 38.487 -0.001 0.000 1.147 40 N HN 0.107 nan 8.380 nan 0.000 0.512 41 V N 0.459 120.357 119.914 -0.026 0.000 2.864 41 V HA 0.541 4.660 4.120 -0.001 0.000 0.314 41 V C 0.670 176.749 176.094 -0.025 0.000 1.073 41 V CA -0.730 61.557 62.300 -0.022 0.000 0.956 41 V CB 2.053 33.852 31.823 -0.040 0.000 1.023 41 V HN 0.348 nan 8.190 nan 0.000 0.435 42 D N 1.234 121.625 120.400 -0.014 0.000 2.144 42 D HA 0.015 4.654 4.640 -0.001 0.000 0.200 42 D C 0.513 176.783 176.300 -0.051 0.000 0.978 42 D CA 1.593 55.582 54.000 -0.018 0.000 0.833 42 D CB 0.444 41.249 40.800 0.008 0.000 0.961 42 D HN 0.435 nan 8.370 nan 0.000 0.470 43 V N 1.514 121.376 119.914 -0.086 0.000 2.483 43 V HA 0.213 4.332 4.120 -0.001 0.000 0.297 43 V C -0.345 175.654 176.094 -0.158 0.000 1.027 43 V CA -0.742 61.477 62.300 -0.135 0.000 0.855 43 V CB 2.368 34.068 31.823 -0.205 0.000 0.995 43 V HN -0.082 nan 8.190 nan 0.000 0.424 44 Q N 4.580 124.298 119.800 -0.137 0.000 2.341 44 Q HA 0.439 4.778 4.340 -0.001 0.000 0.268 44 Q C 0.405 176.308 176.000 -0.161 0.000 1.013 44 Q CA -0.678 55.036 55.803 -0.147 0.000 0.798 44 Q CB 1.885 30.558 28.738 -0.109 0.000 1.253 44 Q HN 0.673 nan 8.270 nan 0.000 0.457 45 M N 3.013 122.471 119.600 -0.237 0.000 2.213 45 M HA -0.152 4.328 4.480 -0.001 0.000 0.263 45 M C 1.593 177.785 176.300 -0.179 0.000 1.062 45 M CA 0.923 56.069 55.300 -0.256 0.000 1.105 45 M CB -0.759 31.558 32.600 -0.471 0.000 1.385 45 M HN 0.558 nan 8.290 nan 0.000 0.417 46 L N 0.735 121.851 121.223 -0.178 0.000 2.056 46 L HA -0.131 4.208 4.340 -0.001 0.000 0.207 46 L C 2.493 179.355 176.870 -0.013 0.000 1.078 46 L CA 1.805 56.574 54.840 -0.118 0.000 0.749 46 L CB -0.659 41.307 42.059 -0.154 0.000 0.901 46 L HN 0.272 nan 8.230 nan 0.000 0.433 47 E N -0.381 119.797 120.200 -0.036 0.000 2.077 47 E HA -0.238 4.111 4.350 -0.001 0.000 0.193 47 E C 2.200 178.811 176.600 0.019 0.000 0.989 47 E CA 1.453 57.846 56.400 -0.011 0.000 0.800 47 E CB -0.279 29.400 29.700 -0.036 0.000 0.746 47 E HN 0.444 nan 8.360 nan 0.000 0.452 48 L N 0.421 121.655 121.223 0.019 0.000 2.046 48 L HA -0.183 4.156 4.340 -0.001 0.000 0.208 48 L C 2.284 179.221 176.870 0.112 0.000 1.077 48 L CA 1.623 56.482 54.840 0.031 0.000 0.747 48 L CB -0.907 41.158 42.059 0.010 0.000 0.896 48 L HN 0.126 nan 8.230 nan 0.000 0.432 49 Y N -0.118 120.183 120.300 0.002 0.000 2.224 49 Y HA -0.261 4.288 4.550 -0.001 0.000 0.289 49 Y C 2.550 178.537 175.900 0.146 0.000 1.146 49 Y CA 1.812 60.000 58.100 0.146 0.000 1.182 49 Y CB -0.598 37.944 38.460 0.137 0.000 0.983 49 Y HN 0.353 nan 8.280 nan 0.000 0.524 50 D N -0.562 119.947 120.400 0.183 0.000 2.144 50 D HA -0.123 4.517 4.640 -0.001 0.000 0.200 50 D C 1.977 178.317 176.300 0.066 0.000 0.978 50 D CA 1.262 55.324 54.000 0.103 0.000 0.833 50 D CB 0.065 40.901 40.800 0.059 0.000 0.961 50 D HN 0.266 nan 8.370 nan 0.000 0.470 51 R N -0.987 119.534 120.500 0.035 0.000 2.140 51 R HA 0.175 4.514 4.340 -0.001 0.000 0.213 51 R C 0.925 177.202 176.300 -0.038 0.000 1.059 51 R CA 0.038 56.134 56.100 -0.006 0.000 1.000 51 R CB 0.055 30.338 30.300 -0.029 0.000 0.910 51 R HN 0.225 nan 8.270 nan 0.000 0.455 52 M N 1.000 120.548 119.600 -0.087 0.000 2.248 52 M HA -0.038 4.442 4.480 -0.001 0.000 0.337 52 M C 1.400 177.645 176.300 -0.092 0.000 1.121 52 M CA 0.395 55.546 55.300 -0.248 0.000 1.155 52 M CB 1.381 33.570 32.600 -0.684 0.000 1.514 52 M HN 0.089 nan 8.290 nan 0.000 0.452 53 S N 1.467 117.097 115.700 -0.118 0.000 2.483 53 S HA 0.083 4.552 4.470 -0.001 0.000 0.221 53 S C 0.598 175.311 174.600 0.188 0.000 1.030 53 S CA -0.143 58.087 58.200 0.051 0.000 0.925 53 S CB -0.025 63.175 63.200 0.000 0.000 0.795 53 S HN 0.758 nan 8.310 nan 0.000 0.511 54 F N 0.905 120.785 119.950 -0.117 0.000 3.043 54 F HA -0.122 4.404 4.527 -0.001 0.000 0.290 54 F C 0.026 175.833 175.800 0.012 0.000 0.844 54 F CA 0.294 58.230 58.000 -0.106 0.000 1.184 54 F CB -1.982 36.931 39.000 -0.146 0.000 1.246 54 F HN 0.117 nan 8.300 nan 0.000 0.536 55 K N 1.091 121.567 120.400 0.126 0.000 2.298 55 K HA 0.210 4.529 4.320 -0.001 0.000 0.280 55 K C 0.224 176.927 176.600 0.172 0.000 1.032 55 K CA -0.224 56.140 56.287 0.128 0.000 0.958 55 K CB 0.718 33.257 32.500 0.064 0.000 0.978 55 K HN 0.076 nan 8.250 nan 0.000 0.472 56 D N 3.473 123.987 120.400 0.189 0.000 2.557 56 D HA 0.195 4.834 4.640 -0.001 0.000 0.236 56 D C -0.374 175.969 176.300 0.071 0.000 1.154 56 D CA -0.518 53.597 54.000 0.191 0.000 0.985 56 D CB -0.589 40.331 40.800 0.199 0.000 1.010 56 D HN 0.456 nan 8.370 nan 0.000 0.516 57 I N -1.507 119.093 120.570 0.051 0.000 2.707 57 I HA 0.521 4.690 4.170 -0.001 0.000 0.309 57 I C 0.080 176.188 176.117 -0.016 0.000 1.001 57 I CA -1.058 60.251 61.300 0.013 0.000 1.129 57 I CB 1.406 39.415 38.000 0.015 0.000 1.308 57 I HN -0.168 nan 8.210 nan 0.000 0.466 58 D N 3.445 123.835 120.400 -0.017 0.000 2.342 58 D HA 0.196 4.836 4.640 -0.001 0.000 0.260 58 D C 0.979 177.267 176.300 -0.020 0.000 1.278 58 D CA 0.103 54.088 54.000 -0.026 0.000 0.910 58 D CB 1.345 42.137 40.800 -0.014 0.000 1.079 58 D HN 0.827 nan 8.370 nan 0.000 0.496 59 G N 2.404 111.178 108.800 -0.045 0.000 3.042 59 G HA2 0.438 4.398 3.960 -0.001 0.000 0.212 59 G HA3 0.438 4.398 3.960 -0.001 0.000 0.212 59 G C 0.891 175.797 174.900 0.011 0.000 1.166 59 G CA 0.350 45.429 45.100 -0.035 0.000 0.767 59 G HN 0.920 nan 8.290 nan 0.000 0.546 60 G N -0.563 108.246 108.800 0.016 0.000 2.464 60 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.216 60 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.216 60 G C 1.205 176.129 174.900 0.041 0.000 1.186 60 G CA 0.695 45.815 45.100 0.034 0.000 1.010 60 G HN 1.106 nan 8.290 nan 0.000 0.585 61 V N -3.545 116.392 119.914 0.038 0.000 2.407 61 V HA 0.081 4.200 4.120 -0.001 0.000 0.248 61 V C 1.476 177.603 176.094 0.054 0.000 1.055 61 V CA 2.417 64.723 62.300 0.009 0.000 1.049 61 V CB -0.577 31.217 31.823 -0.049 0.000 0.662 61 V HN 1.429 nan 8.190 nan 0.000 0.455 62 W N 2.668 123.880 121.300 -0.147 0.000 2.365 62 W HA 0.424 5.083 4.660 -0.001 0.000 0.371 62 W C 1.163 177.646 176.519 -0.060 0.000 1.006 62 W CA -1.715 55.537 57.345 -0.155 0.000 1.528 62 W CB 0.165 29.502 29.460 -0.205 0.000 1.497 62 W HN 0.055 nan 8.180 nan 0.000 0.367 63 K N 2.626 123.113 120.400 0.146 0.000 2.147 63 K HA -0.169 4.151 4.320 -0.001 0.000 0.205 63 K C 0.911 177.432 176.600 -0.132 0.000 1.049 63 K CA 1.441 57.722 56.287 -0.010 0.000 0.936 63 K CB 0.143 32.629 32.500 -0.023 0.000 0.722 63 K HN 0.564 nan 8.250 nan 0.000 0.446 64 Q N -0.633 119.044 119.800 -0.205 0.000 2.188 64 Q HA 0.149 4.489 4.340 -0.001 0.000 0.212 64 Q C 0.806 176.447 176.000 -0.598 0.000 0.846 64 Q CA -0.313 55.347 55.803 -0.238 0.000 0.989 64 Q CB 1.218 29.952 28.738 -0.007 0.000 1.114 64 Q HN 0.218 nan 8.270 nan 0.000 0.488 65 G N 0.598 108.644 108.800 -1.258 0.000 3.392 65 G HA2 0.526 4.486 3.960 -0.001 0.000 0.185 65 G HA3 0.526 4.486 3.960 -0.001 0.000 0.185 65 G C -1.473 173.126 174.900 -0.502 0.000 1.206 65 G CA -0.356 43.709 45.100 -1.724 0.000 0.776 65 G HN 0.357 nan 8.290 nan 0.000 0.697 66 W N -1.395 119.636 121.300 -0.449 0.000 2.988 66 W HA 0.629 5.289 4.660 -0.001 0.000 0.355 66 W C -1.463 175.148 176.519 0.153 0.000 1.233 66 W CA -1.166 56.130 57.345 -0.081 0.000 1.176 66 W CB 0.676 30.100 29.460 -0.060 0.000 1.477 66 W HN 0.191 nan 8.180 nan 0.000 0.582 67 N N 2.246 121.097 118.700 0.252 0.000 2.402 67 N HA 0.203 4.942 4.740 -0.001 0.000 0.259 67 N C -0.234 175.410 175.510 0.223 0.000 1.167 67 N CA 0.066 53.218 53.050 0.171 0.000 0.949 67 N CB 0.207 38.795 38.487 0.168 0.000 1.212 67 N HN 0.406 nan 8.380 nan 0.000 0.493 68 I N 1.918 122.518 120.570 0.050 0.000 2.588 68 I HA 0.001 4.171 4.170 -0.001 0.000 0.283 68 I C 0.813 177.080 176.117 0.250 0.000 1.119 68 I CA 0.346 61.749 61.300 0.173 0.000 1.419 68 I CB 0.484 38.525 38.000 0.068 0.000 1.394 68 I HN 0.115 nan 8.210 nan 0.000 0.562 69 K N 5.989 126.573 120.400 0.307 0.000 2.259 69 K HA 0.579 4.899 4.320 -0.001 0.000 0.249 69 K C -1.349 175.407 176.600 0.260 0.000 0.942 69 K CA -0.675 55.727 56.287 0.191 0.000 0.816 69 K CB 2.241 34.823 32.500 0.137 0.000 1.155 69 K HN 0.477 nan 8.250 nan 0.000 0.428 70 Y N -1.809 118.580 120.300 0.148 0.000 2.581 70 Y HA 0.455 5.004 4.550 -0.001 0.000 0.345 70 Y C -1.046 174.926 175.900 0.119 0.000 1.036 70 Y CA -1.528 56.661 58.100 0.148 0.000 1.042 70 Y CB 1.240 39.814 38.460 0.189 0.000 1.289 70 Y HN 0.383 nan 8.280 nan 0.000 0.471 71 D N 4.010 124.547 120.400 0.229 0.000 2.313 71 D HA 0.280 4.919 4.640 -0.001 0.000 0.239 71 D C -1.660 174.790 176.300 0.250 0.000 1.142 71 D CA -2.746 51.334 54.000 0.133 0.000 0.847 71 D CB 1.659 42.511 40.800 0.088 0.000 1.082 71 D HN 0.438 nan 8.370 nan 0.000 0.480 72 P HA -0.111 nan 4.420 nan 0.000 0.220 72 P C 1.362 178.813 177.300 0.253 0.000 1.148 72 P CA 0.718 64.021 63.100 0.339 0.000 0.803 72 P CB 0.346 32.173 31.700 0.213 0.000 0.782 73 L N -0.592 120.718 121.223 0.145 0.000 2.610 73 L HA 0.074 4.414 4.340 -0.001 0.000 0.232 73 L C 2.654 179.552 176.870 0.048 0.000 1.149 73 L CA 0.439 55.339 54.840 0.100 0.000 0.872 73 L CB -0.765 41.333 42.059 0.065 0.000 0.992 73 L HN -0.041 nan 8.230 nan 0.000 0.447 74 K N 0.566 120.959 120.400 -0.012 0.000 2.103 74 K HA -0.139 4.181 4.320 -0.001 0.000 0.207 74 K C -0.090 176.313 176.600 -0.330 0.000 1.048 74 K CA 1.196 57.340 56.287 -0.237 0.000 0.930 74 K CB 0.083 32.322 32.500 -0.435 0.000 0.716 74 K HN 0.147 nan 8.250 nan 0.000 0.444 75 Y N 0.513 120.928 120.300 0.192 0.000 2.420 75 Y HA 0.261 4.811 4.550 -0.000 0.000 0.334 75 Y C 0.082 176.060 175.900 0.130 0.000 1.094 75 Y CA -1.111 57.094 58.100 0.175 0.000 1.126 75 Y CB 1.477 39.998 38.460 0.102 0.000 1.217 75 Y HN 0.233 nan 8.280 nan 0.000 0.462 76 N N -0.526 118.333 118.700 0.265 0.000 3.277 76 N HA 0.477 5.217 4.740 -0.001 0.000 0.278 76 N C -0.009 175.519 175.510 0.030 0.000 1.544 76 N CA -0.399 52.731 53.050 0.132 0.000 0.869 76 N CB 0.370 38.930 38.487 0.121 0.000 1.584 76 N HN 0.519 nan 8.380 nan 0.000 0.564 77 A N -1.148 121.589 122.820 -0.138 0.000 1.978 77 A HA -0.185 4.134 4.320 -0.001 0.000 0.220 77 A C 0.936 178.273 177.584 -0.413 0.000 1.170 77 A CA 1.421 53.259 52.037 -0.331 0.000 0.636 77 A CB -1.103 17.589 19.000 -0.514 0.000 0.810 77 A HN 0.693 nan 8.150 nan 0.000 0.448 78 H N -2.368 116.760 119.070 0.097 0.000 2.526 78 H HA 0.146 4.702 4.556 -0.001 0.000 0.274 78 H C -0.112 175.326 175.328 0.182 0.000 0.999 78 H CA 0.568 56.678 56.048 0.104 0.000 1.157 78 H CB -0.007 29.806 29.762 0.085 0.000 1.407 78 H HN 0.694 nan 8.280 nan 0.000 0.568 79 H N 0.542 119.683 119.070 0.119 0.000 2.809 79 H HA 0.200 4.756 4.556 -0.001 0.000 0.268 79 H C -0.756 174.694 175.328 0.202 0.000 1.403 79 H CA -0.242 55.891 56.048 0.143 0.000 1.564 79 H CB 0.581 30.420 29.762 0.129 0.000 1.834 79 H HN 0.123 nan 8.280 nan 0.000 0.613 80 K N 1.901 122.259 120.400 -0.070 0.000 2.087 80 K HA 0.252 4.572 4.320 -0.001 0.000 0.255 80 K C -0.354 176.122 176.600 -0.208 0.000 0.988 80 K CA -1.057 55.181 56.287 -0.081 0.000 0.915 80 K CB 1.927 34.363 32.500 -0.106 0.000 1.043 80 K HN 0.127 nan 8.250 nan 0.000 0.457 81 L N 2.468 123.477 121.223 -0.356 0.000 2.281 81 L HA 0.162 4.501 4.340 -0.001 0.000 0.285 81 L C -0.867 175.788 176.870 -0.359 0.000 1.074 81 L CA 0.125 54.691 54.840 -0.457 0.000 0.817 81 L CB 0.385 41.957 42.059 -0.811 0.000 1.168 81 L HN 0.312 nan 8.230 nan 0.000 0.434 82 K N 5.375 125.582 120.400 -0.322 0.000 2.240 82 K HA 0.465 4.784 4.320 -0.001 0.000 0.271 82 K C -1.175 175.107 176.600 -0.530 0.000 1.018 82 K CA -0.505 55.532 56.287 -0.416 0.000 0.874 82 K CB 1.770 34.083 32.500 -0.312 0.000 1.098 82 K HN 0.401 nan 8.250 nan 0.000 0.458 83 V N 4.593 124.066 119.914 -0.735 0.000 2.409 83 V HA 0.404 4.524 4.120 -0.001 0.000 0.291 83 V C -0.620 174.923 176.094 -0.918 0.000 1.020 83 V CA -0.822 60.993 62.300 -0.808 0.000 0.848 83 V CB 0.649 31.822 31.823 -1.084 0.000 0.990 83 V HN 0.508 nan 8.190 nan 0.000 0.430 84 F N 3.631 123.337 119.950 -0.407 0.000 2.361 84 F HA 0.491 5.017 4.527 -0.001 0.000 0.364 84 F C 0.200 175.819 175.800 -0.303 0.000 1.117 84 F CA -0.745 57.068 58.000 -0.311 0.000 1.071 84 F CB 1.724 40.607 39.000 -0.195 0.000 1.188 84 F HN 0.195 nan 8.300 nan 0.000 0.464 85 V N 5.192 125.063 119.914 -0.073 0.000 2.385 85 V HA 0.253 4.372 4.120 -0.001 0.000 0.269 85 V C -0.177 176.011 176.094 0.157 0.000 1.043 85 V CA -0.606 61.716 62.300 0.036 0.000 0.906 85 V CB 1.206 33.114 31.823 0.141 0.000 0.995 85 V HN 0.435 nan 8.190 nan 0.000 0.467 86 V N 8.421 128.379 119.914 0.073 0.000 2.275 86 V HA 0.311 4.431 4.120 -0.001 0.000 0.272 86 V C -2.353 173.773 176.094 0.054 0.000 1.028 86 V CA -1.936 60.371 62.300 0.012 0.000 0.810 86 V CB 1.395 33.136 31.823 -0.137 0.000 1.043 86 V HN 0.718 nan 8.190 nan 0.000 0.453 87 P HA 0.322 nan 4.420 nan 0.000 0.271 87 P C -0.838 176.453 177.300 -0.014 0.000 1.216 87 P CA 0.273 63.341 63.100 -0.052 0.000 0.771 87 P CB 0.349 31.823 31.700 -0.377 0.000 0.864 88 H N -1.149 117.915 119.070 -0.010 0.000 3.017 88 H HA 0.783 5.338 4.556 -0.001 0.000 0.346 88 H C -1.519 173.902 175.328 0.154 0.000 1.286 88 H CA -1.101 54.845 56.048 -0.169 0.000 1.120 88 H CB 0.946 30.573 29.762 -0.225 0.000 1.860 88 H HN 0.195 nan 8.280 nan 0.000 0.542 89 S N 0.750 116.453 115.700 0.005 0.000 2.736 89 S HA 0.211 4.680 4.470 -0.001 0.000 0.285 89 S C -1.815 172.706 174.600 -0.131 0.000 1.163 89 S CA -0.663 57.578 58.200 0.067 0.000 1.025 89 S CB 0.178 63.591 63.200 0.356 0.000 1.030 89 S HN 0.831 nan 8.310 nan 0.000 0.486 90 H N 4.135 123.099 119.070 -0.177 0.000 2.864 90 H HA 0.491 5.047 4.556 -0.001 0.000 0.281 90 H C -0.626 174.300 175.328 -0.670 0.000 1.093 90 H CA 0.211 56.068 56.048 -0.319 0.000 1.453 90 H CB 0.208 29.834 29.762 -0.226 0.000 1.462 90 H HN 0.514 nan 8.280 nan 0.000 0.480 91 N N 4.673 122.715 118.700 -1.096 0.000 2.564 91 N HA 0.119 4.858 4.740 -0.001 0.000 0.248 91 N C -1.360 173.698 175.510 -0.753 0.000 0.986 91 N CA -0.649 51.614 53.050 -1.313 0.000 0.921 91 N CB 0.885 38.883 38.487 -0.814 0.000 1.136 91 N HN 0.564 nan 8.380 nan 0.000 0.509 92 D N 2.202 122.203 120.400 -0.665 0.000 2.371 92 D HA 0.078 4.717 4.640 -0.001 0.000 0.256 92 D C -2.041 174.308 176.300 0.082 0.000 1.193 92 D CA -0.883 52.995 54.000 -0.203 0.000 0.881 92 D CB 1.128 42.067 40.800 0.231 0.000 1.143 92 D HN 0.266 nan 8.370 nan 0.000 0.473 93 P HA 0.205 nan 4.420 nan 0.000 0.226 93 P C -0.012 177.481 177.300 0.322 0.000 1.783 93 P CA -0.064 63.034 63.100 -0.003 0.000 0.980 93 P CB 0.233 31.796 31.700 -0.227 0.000 1.967 94 G N 0.338 109.513 108.800 0.625 0.000 2.911 94 G HA2 0.012 3.971 3.960 -0.001 0.000 0.686 94 G HA3 0.012 3.971 3.960 -0.001 0.000 0.686 94 G C -1.093 174.349 174.900 0.903 0.000 1.136 94 G CA -0.609 44.896 45.100 0.676 0.000 0.764 94 G HN 0.360 nan 8.290 nan 0.000 0.626 95 W N 1.892 123.538 121.300 0.576 0.000 4.489 95 W HA 0.230 4.889 4.660 -0.001 0.000 0.161 95 W C 1.656 178.355 176.519 0.300 0.000 3.472 95 W CA 1.189 58.833 57.345 0.497 0.000 1.144 95 W CB -0.830 29.003 29.460 0.621 0.000 2.110 95 W HN 0.967 nan 8.180 nan 0.000 0.358 96 I N 0.854 121.408 120.570 -0.026 0.000 3.883 96 I HA 0.308 4.478 4.170 -0.001 0.000 0.326 96 I C 0.240 176.227 176.117 -0.216 0.000 1.283 96 I CA 0.450 61.563 61.300 -0.312 0.000 1.161 96 I CB -0.008 37.679 38.000 -0.522 0.000 1.012 96 I HN -0.145 nan 8.210 nan 0.000 0.421 97 Q N 1.901 121.427 119.800 -0.456 0.000 2.484 97 Q HA 0.384 4.724 4.340 -0.001 0.000 0.285 97 Q C -0.197 175.565 176.000 -0.397 0.000 1.097 97 Q CA -0.360 55.112 55.803 -0.551 0.000 0.802 97 Q CB 2.288 30.378 28.738 -1.080 0.000 1.444 97 Q HN 0.345 nan 8.270 nan 0.000 0.429 98 T N -2.292 112.138 114.554 -0.206 0.000 2.766 98 T HA 0.163 4.512 4.350 -0.001 0.000 0.295 98 T C 1.113 175.909 174.700 0.161 0.000 1.024 98 T CA -0.426 61.634 62.100 -0.066 0.000 1.018 98 T CB 0.262 69.115 68.868 -0.024 0.000 1.002 98 T HN 0.516 nan 8.240 nan 0.000 0.532 99 F N 1.206 121.236 119.950 0.133 0.000 2.063 99 F HA -0.159 4.367 4.527 -0.001 0.000 0.298 99 F C 2.477 178.461 175.800 0.307 0.000 1.109 99 F CA 2.418 60.566 58.000 0.246 0.000 1.212 99 F CB -0.331 38.703 39.000 0.056 0.000 0.973 99 F HN 0.782 nan 8.300 nan 0.000 0.480 100 E N 0.343 120.742 120.200 0.331 0.000 2.107 100 E HA -0.163 4.187 4.350 -0.001 0.000 0.191 100 E C 1.998 178.650 176.600 0.087 0.000 0.982 100 E CA 1.630 58.172 56.400 0.237 0.000 0.809 100 E CB -0.271 29.570 29.700 0.234 0.000 0.756 100 E HN 0.610 nan 8.360 nan 0.000 0.459 101 E N -0.929 119.260 120.200 -0.019 0.000 2.031 101 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 101 E C 1.842 178.264 176.600 -0.295 0.000 0.994 101 E CA 1.277 57.517 56.400 -0.267 0.000 0.800 101 E CB -0.277 29.339 29.700 -0.140 0.000 0.752 101 E HN 0.336 nan 8.360 nan 0.000 0.447 102 Y N -0.511 119.754 120.300 -0.058 0.000 2.224 102 Y HA -0.247 4.302 4.550 -0.001 0.000 0.289 102 Y C 2.195 178.043 175.900 -0.086 0.000 1.146 102 Y CA 1.168 59.223 58.100 -0.075 0.000 1.182 102 Y CB -0.737 37.760 38.460 0.063 0.000 0.983 102 Y HN 0.198 nan 8.280 nan 0.000 0.524 103 Y N 0.835 121.155 120.300 0.034 0.000 2.128 103 Y HA -0.284 4.265 4.550 -0.001 0.000 0.284 103 Y C 2.288 178.156 175.900 -0.054 0.000 1.154 103 Y CA 1.923 59.995 58.100 -0.047 0.000 1.149 103 Y CB -0.333 38.090 38.460 -0.063 0.000 0.976 103 Y HN 0.046 nan 8.280 nan 0.000 0.505 104 Q N -0.645 119.050 119.800 -0.174 0.000 2.123 104 Q HA -0.159 4.181 4.340 -0.001 0.000 0.199 104 Q C 2.074 178.034 176.000 -0.066 0.000 0.966 104 Q CA 2.124 57.798 55.803 -0.215 0.000 0.845 104 Q CB -0.533 28.113 28.738 -0.154 0.000 0.907 104 Q HN 0.780 nan 8.270 nan 0.000 0.439 105 H N -0.825 118.268 119.070 0.038 0.000 2.497 105 H HA 0.068 4.624 4.556 -0.001 0.000 0.282 105 H C 0.901 176.327 175.328 0.163 0.000 1.003 105 H CA 0.567 56.671 56.048 0.093 0.000 1.307 105 H CB 0.694 30.477 29.762 0.036 0.000 1.437 105 H HN 0.186 nan 8.280 nan 0.000 0.544 106 D N -1.153 119.365 120.400 0.197 0.000 3.081 106 D HA 0.010 4.649 4.640 -0.001 0.000 0.243 106 D C 1.695 178.068 176.300 0.122 0.000 1.388 106 D CA 0.509 54.620 54.000 0.186 0.000 1.245 106 D CB 0.066 40.899 40.800 0.055 0.000 1.319 106 D HN 0.049 nan 8.370 nan 0.000 0.377 107 T N 2.532 117.076 114.554 -0.017 0.000 2.821 107 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 107 T C 1.932 176.478 174.700 -0.256 0.000 1.046 107 T CA 1.415 63.462 62.100 -0.089 0.000 1.139 107 T CB -0.055 68.607 68.868 -0.345 0.000 0.871 107 T HN 0.240 nan 8.240 nan 0.000 0.454 108 K N 0.800 120.866 120.400 -0.556 0.000 2.147 108 K HA -0.155 4.164 4.320 -0.001 0.000 0.205 108 K C 1.930 178.292 176.600 -0.396 0.000 1.049 108 K CA 1.434 57.371 56.287 -0.583 0.000 0.936 108 K CB -0.385 31.554 32.500 -0.935 0.000 0.722 108 K HN 0.392 nan 8.250 nan 0.000 0.446 109 H N 0.970 119.980 119.070 -0.100 0.000 2.395 109 H HA 0.060 4.615 4.556 -0.001 0.000 0.299 109 H C 2.288 177.637 175.328 0.035 0.000 1.070 109 H CA 1.362 57.410 56.048 0.001 0.000 1.356 109 H CB -0.141 29.646 29.762 0.041 0.000 1.401 109 H HN 0.193 nan 8.280 nan 0.000 0.524 110 I N 0.736 121.404 120.570 0.164 0.000 2.163 110 I HA -0.283 3.886 4.170 -0.001 0.000 0.243 110 I C 2.439 178.588 176.117 0.054 0.000 1.085 110 I CA 1.194 62.636 61.300 0.236 0.000 1.347 110 I CB -0.270 37.932 38.000 0.337 0.000 1.044 110 I HN 0.099 nan 8.210 nan 0.000 0.408 111 L N -0.438 120.595 121.223 -0.316 0.000 2.109 111 L HA -0.147 4.192 4.340 -0.001 0.000 0.207 111 L C 2.684 179.234 176.870 -0.533 0.000 1.086 111 L CA 0.947 55.359 54.840 -0.712 0.000 0.760 111 L CB -0.458 40.613 42.059 -1.647 0.000 0.910 111 L HN 0.164 nan 8.230 nan 0.000 0.437 112 S N 0.155 115.674 115.700 -0.301 0.000 2.359 112 S HA -0.154 4.315 4.470 -0.001 0.000 0.224 112 S C 1.705 176.291 174.600 -0.024 0.000 1.035 112 S CA 1.462 59.698 58.200 0.060 0.000 1.018 112 S CB -0.269 63.016 63.200 0.140 0.000 0.876 112 S HN 0.453 nan 8.310 nan 0.000 0.448 113 N N 1.408 120.093 118.700 -0.026 0.000 2.354 113 N HA 0.148 4.887 4.740 -0.001 0.000 0.179 113 N C 1.708 176.925 175.510 -0.489 0.000 1.021 113 N CA 0.937 53.931 53.050 -0.093 0.000 0.887 113 N CB -0.519 38.027 38.487 0.098 0.000 0.974 113 N HN 0.386 nan 8.380 nan 0.000 0.437 114 A N 1.149 123.707 122.820 -0.436 0.000 1.877 114 A HA -0.092 4.228 4.320 -0.001 0.000 0.216 114 A C 2.186 179.492 177.584 -0.464 0.000 1.186 114 A CA 0.936 52.539 52.037 -0.724 0.000 0.620 114 A CB -0.732 18.121 19.000 -0.245 0.000 0.822 114 A HN 0.224 nan 8.150 nan 0.000 0.443 115 L N 0.279 121.375 121.223 -0.213 0.000 2.012 115 L HA -0.185 4.155 4.340 -0.001 0.000 0.210 115 L C 2.500 179.287 176.870 -0.138 0.000 1.073 115 L CA 2.644 57.428 54.840 -0.094 0.000 0.748 115 L CB -0.665 41.407 42.059 0.022 0.000 0.891 115 L HN 0.526 nan 8.230 nan 0.000 0.431 116 R N -1.693 118.685 120.500 -0.203 0.000 2.070 116 R HA -0.189 4.150 4.340 -0.001 0.000 0.233 116 R C 2.332 178.434 176.300 -0.330 0.000 1.137 116 R CA 1.793 57.748 56.100 -0.243 0.000 0.945 116 R CB -0.590 29.537 30.300 -0.288 0.000 0.845 116 R HN 0.565 nan 8.270 nan 0.000 0.430 117 H N 0.387 119.165 119.070 -0.486 0.000 2.428 117 H HA -0.027 4.528 4.556 -0.001 0.000 0.296 117 H C 2.250 177.364 175.328 -0.357 0.000 1.062 117 H CA 1.472 57.224 56.048 -0.492 0.000 1.350 117 H CB 0.122 29.333 29.762 -0.919 0.000 1.403 117 H HN 0.246 nan 8.280 nan 0.000 0.533 118 L N -0.165 120.886 121.223 -0.286 0.000 2.056 118 L HA -0.179 4.160 4.340 -0.001 0.000 0.207 118 L C 2.731 179.567 176.870 -0.055 0.000 1.078 118 L CA 1.035 55.792 54.840 -0.138 0.000 0.749 118 L CB -0.664 41.325 42.059 -0.116 0.000 0.901 118 L HN 0.391 nan 8.230 nan 0.000 0.433 119 H N 0.596 119.590 119.070 -0.127 0.000 2.319 119 H HA -0.221 4.335 4.556 -0.001 0.000 0.297 119 H C 1.317 176.599 175.328 -0.077 0.000 1.097 119 H CA 2.159 58.157 56.048 -0.084 0.000 1.285 119 H CB 0.224 29.934 29.762 -0.086 0.000 1.368 119 H HN 0.330 nan 8.280 nan 0.000 0.495 120 D N 0.122 120.457 120.400 -0.109 0.000 2.347 120 D HA -0.026 4.613 4.640 -0.001 0.000 0.215 120 D C -0.049 176.193 176.300 -0.096 0.000 0.976 120 D CA 0.574 54.492 54.000 -0.137 0.000 0.884 120 D CB -0.163 40.575 40.800 -0.103 0.000 0.915 120 D HN 0.408 nan 8.370 nan 0.000 0.526 121 N N 0.046 118.707 118.700 -0.065 0.000 2.762 121 N HA 0.183 4.922 4.740 -0.001 0.000 0.252 121 N C -2.227 173.285 175.510 0.003 0.000 1.269 121 N CA -1.033 52.017 53.050 -0.001 0.000 0.799 121 N CB 2.181 40.700 38.487 0.052 0.000 1.173 121 N HN -0.188 nan 8.380 nan 0.000 0.516 122 P HA -0.132 nan 4.420 nan 0.000 0.222 122 P C 0.695 178.022 177.300 0.046 0.000 1.147 122 P CA 1.062 64.161 63.100 -0.001 0.000 0.790 122 P CB 0.410 32.102 31.700 -0.013 0.000 0.780 123 E N -1.580 118.677 120.200 0.095 0.000 2.478 123 E HA 0.057 4.407 4.350 -0.001 0.000 0.194 123 E C 0.789 177.522 176.600 0.222 0.000 1.045 123 E CA 0.055 56.553 56.400 0.164 0.000 0.868 123 E CB -0.299 29.528 29.700 0.211 0.000 0.885 123 E HN 0.259 nan 8.360 nan 0.000 0.505 124 M N 1.559 121.225 119.600 0.110 0.000 2.242 124 M HA 0.099 4.578 4.480 -0.001 0.000 0.344 124 M C -0.322 175.948 176.300 -0.049 0.000 1.140 124 M CA 0.256 55.508 55.300 -0.079 0.000 1.160 124 M CB 0.509 33.039 32.600 -0.118 0.000 1.491 124 M HN -0.352 nan 8.290 nan 0.000 0.459 125 K N 3.082 123.414 120.400 -0.113 0.000 2.444 125 K HA 0.650 4.969 4.320 -0.001 0.000 0.252 125 K C -1.732 174.891 176.600 0.037 0.000 0.993 125 K CA -0.534 55.749 56.287 -0.008 0.000 0.847 125 K CB 2.253 34.775 32.500 0.037 0.000 1.340 125 K HN 0.667 nan 8.250 nan 0.000 0.446 126 F N 1.434 121.293 119.950 -0.151 0.000 2.672 126 F HA 0.442 4.968 4.527 -0.001 0.000 0.311 126 F C -1.448 174.241 175.800 -0.185 0.000 1.113 126 F CA -1.241 56.656 58.000 -0.171 0.000 0.996 126 F CB 1.060 40.035 39.000 -0.042 0.000 1.286 126 F HN 0.464 nan 8.300 nan 0.000 0.441 127 I N 1.702 121.940 120.570 -0.553 0.000 2.648 127 I HA 0.608 4.778 4.170 -0.001 0.000 0.304 127 I C -1.735 173.960 176.117 -0.704 0.000 1.009 127 I CA -0.615 60.322 61.300 -0.606 0.000 1.114 127 I CB 2.535 40.114 38.000 -0.701 0.000 1.293 127 I HN 0.700 nan 8.210 nan 0.000 0.449 128 W N 4.442 125.353 121.300 -0.649 0.000 2.957 128 W HA 0.624 5.283 4.660 -0.001 0.000 0.336 128 W C -0.743 175.690 176.519 -0.143 0.000 1.087 128 W CA -0.537 56.553 57.345 -0.424 0.000 1.235 128 W CB 2.666 31.929 29.460 -0.328 0.000 1.399 128 W HN 0.797 nan 8.180 nan 0.000 0.480 129 A N 3.507 125.982 122.820 -0.575 0.000 1.963 129 A HA 0.155 4.474 4.320 -0.001 0.000 0.207 129 A C -0.000 177.534 177.584 -0.083 0.000 1.243 129 A CA 0.561 52.481 52.037 -0.196 0.000 0.728 129 A CB 0.008 18.937 19.000 -0.119 0.000 0.895 129 A HN 0.509 nan 8.150 nan 0.000 0.467 130 E N 0.944 120.990 120.200 -0.257 0.000 2.014 130 E HA 0.319 4.668 4.350 -0.001 0.000 0.275 130 E C 0.424 177.177 176.600 0.255 0.000 0.997 130 E CA -0.290 56.122 56.400 0.019 0.000 0.804 130 E CB 0.830 30.525 29.700 -0.008 0.000 1.090 130 E HN 0.276 nan 8.360 nan 0.000 0.401 131 I N 1.522 122.141 120.570 0.083 0.000 2.676 131 I HA -0.198 3.971 4.170 -0.001 0.000 0.259 131 I C 2.002 177.771 176.117 -0.579 0.000 1.194 131 I CA 0.920 62.194 61.300 -0.043 0.000 1.473 131 I CB -1.340 36.686 38.000 0.043 0.000 1.096 131 I HN 0.425 nan 8.210 nan 0.000 0.443 132 S N 0.974 116.023 115.700 -1.084 0.000 2.372 132 S HA -0.277 4.192 4.470 -0.001 0.000 0.227 132 S C 2.189 176.507 174.600 -0.471 0.000 1.044 132 S CA 1.383 58.597 58.200 -1.642 0.000 1.050 132 S CB -1.197 61.069 63.200 -1.556 0.000 0.901 132 S HN 0.477 nan 8.310 nan 0.000 0.447 133 Y N 0.138 120.461 120.300 0.038 0.000 2.200 133 Y HA 0.034 4.583 4.550 -0.001 0.000 0.290 133 Y C 2.313 178.272 175.900 0.099 0.000 1.137 133 Y CA 1.124 59.339 58.100 0.191 0.000 1.163 133 Y CB -0.435 38.228 38.460 0.339 0.000 0.988 133 Y HN 0.298 nan 8.280 nan 0.000 0.518 134 F N 0.161 120.180 119.950 0.116 0.000 2.134 134 F HA -0.222 4.304 4.527 -0.001 0.000 0.299 134 F C 2.334 177.968 175.800 -0.276 0.000 1.097 134 F CA 1.201 59.147 58.000 -0.090 0.000 1.264 134 F CB -0.402 38.536 39.000 -0.103 0.000 1.001 134 F HN -0.015 nan 8.300 nan 0.000 0.479 135 A N 0.130 122.610 122.820 -0.566 0.000 1.898 135 A HA -0.202 4.117 4.320 -0.001 0.000 0.216 135 A C 2.133 179.637 177.584 -0.132 0.000 1.181 135 A CA 1.688 53.259 52.037 -0.776 0.000 0.620 135 A CB -0.733 17.661 19.000 -1.011 0.000 0.819 135 A HN 0.381 nan 8.150 nan 0.000 0.442 136 R N -0.929 119.517 120.500 -0.090 0.000 2.091 136 R HA -0.156 4.183 4.340 -0.001 0.000 0.238 136 R C 1.743 177.995 176.300 -0.080 0.000 1.136 136 R CA 2.099 58.145 56.100 -0.090 0.000 0.959 136 R CB -0.887 29.294 30.300 -0.198 0.000 0.856 136 R HN 0.488 nan 8.270 nan 0.000 0.437 137 F N -0.331 119.538 119.950 -0.135 0.000 2.084 137 F HA -0.130 4.397 4.527 -0.001 0.000 0.296 137 F C 1.993 177.724 175.800 -0.116 0.000 1.111 137 F CA 1.701 59.679 58.000 -0.037 0.000 1.224 137 F CB -0.853 38.056 39.000 -0.153 0.000 0.991 137 F HN 0.138 nan 8.300 nan 0.000 0.471 138 Y N 0.067 120.160 120.300 -0.346 0.000 2.224 138 Y HA -0.235 4.314 4.550 -0.001 0.000 0.289 138 Y C 2.584 178.300 175.900 -0.307 0.000 1.146 138 Y CA 2.132 60.002 58.100 -0.384 0.000 1.182 138 Y CB -0.699 37.665 38.460 -0.159 0.000 0.983 138 Y HN 0.142 nan 8.280 nan 0.000 0.524 139 H N -0.812 118.247 119.070 -0.018 0.000 2.546 139 H HA -0.041 4.515 4.556 -0.001 0.000 0.277 139 H C 0.817 176.040 175.328 -0.175 0.000 1.004 139 H CA 1.299 57.301 56.048 -0.076 0.000 1.231 139 H CB 0.018 29.798 29.762 0.030 0.000 1.382 139 H HN 0.450 nan 8.280 nan 0.000 0.580 140 D N 0.012 120.330 120.400 -0.137 0.000 2.339 140 D HA 0.086 4.725 4.640 -0.001 0.000 0.217 140 D C 0.516 176.647 176.300 -0.283 0.000 1.050 140 D CA 0.035 53.938 54.000 -0.163 0.000 0.856 140 D CB 0.388 41.127 40.800 -0.102 0.000 0.922 140 D HN 0.191 nan 8.370 nan 0.000 0.518 141 L N 0.637 121.595 121.223 -0.441 0.000 2.397 141 L HA 0.323 4.662 4.340 -0.001 0.000 0.271 141 L C 1.400 178.086 176.870 -0.306 0.000 1.148 141 L CA -0.598 53.974 54.840 -0.446 0.000 0.825 141 L CB 0.920 42.627 42.059 -0.587 0.000 1.117 141 L HN -0.023 nan 8.230 nan 0.000 0.456 142 G N 0.949 109.615 108.800 -0.224 0.000 2.636 142 G HA2 0.018 3.977 3.960 -0.001 0.000 0.246 142 G HA3 0.018 3.977 3.960 -0.001 0.000 0.246 142 G C 0.654 175.457 174.900 -0.163 0.000 1.216 142 G CA -0.275 44.731 45.100 -0.156 0.000 0.854 142 G HN 0.810 nan 8.290 nan 0.000 0.572 143 E N 0.290 120.424 120.200 -0.111 0.000 2.110 143 E HA -0.207 4.142 4.350 -0.001 0.000 0.193 143 E C 2.319 178.876 176.600 -0.071 0.000 0.988 143 E CA 1.658 58.006 56.400 -0.087 0.000 0.804 143 E CB -0.115 29.559 29.700 -0.044 0.000 0.745 143 E HN 0.616 nan 8.360 nan 0.000 0.458 144 N N 0.648 119.307 118.700 -0.068 0.000 2.104 144 N HA -0.224 4.515 4.740 -0.001 0.000 0.190 144 N C 1.388 176.856 175.510 -0.071 0.000 1.024 144 N CA 1.446 54.461 53.050 -0.059 0.000 0.853 144 N CB -0.162 38.289 38.487 -0.061 0.000 1.008 144 N HN 0.065 nan 8.380 nan 0.000 0.424 145 K N 0.830 121.171 120.400 -0.099 0.000 2.155 145 K HA 0.023 4.342 4.320 -0.001 0.000 0.203 145 K C 2.071 178.631 176.600 -0.067 0.000 1.052 145 K CA 0.577 56.805 56.287 -0.097 0.000 0.948 145 K CB -0.087 32.335 32.500 -0.131 0.000 0.728 145 K HN 0.384 nan 8.250 nan 0.000 0.448 146 K N 0.883 121.207 120.400 -0.127 0.000 2.063 146 K HA -0.080 4.239 4.320 -0.001 0.000 0.208 146 K C 2.238 178.908 176.600 0.117 0.000 1.048 146 K CA 1.059 57.301 56.287 -0.076 0.000 0.928 146 K CB -0.169 32.183 32.500 -0.248 0.000 0.713 146 K HN 0.059 nan 8.250 nan 0.000 0.442 147 L N 0.972 122.227 121.223 0.054 0.000 2.093 147 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 147 L C 2.517 179.437 176.870 0.084 0.000 1.085 147 L CA 1.188 56.075 54.840 0.079 0.000 0.755 147 L CB -0.350 41.734 42.059 0.041 0.000 0.904 147 L HN 0.249 nan 8.230 nan 0.000 0.435 148 Q N -0.827 118.999 119.800 0.042 0.000 2.124 148 Q HA -0.257 4.082 4.340 -0.001 0.000 0.202 148 Q C 2.194 178.259 176.000 0.109 0.000 0.977 148 Q CA 1.596 57.420 55.803 0.035 0.000 0.850 148 Q CB -0.181 28.506 28.738 -0.085 0.000 0.901 148 Q HN 0.361 nan 8.270 nan 0.000 0.429 149 M N 1.235 120.932 119.600 0.162 0.000 2.086 149 M HA -0.160 4.320 4.480 -0.001 0.000 0.261 149 M C 1.615 178.081 176.300 0.278 0.000 1.067 149 M CA 1.776 57.238 55.300 0.271 0.000 1.116 149 M CB 0.023 32.875 32.600 0.420 0.000 1.348 149 M HN -0.098 nan 8.290 nan 0.000 0.407 150 K N -0.333 120.227 120.400 0.268 0.000 2.103 150 K HA -0.139 4.180 4.320 -0.001 0.000 0.207 150 K C 2.063 178.755 176.600 0.152 0.000 1.048 150 K CA 1.742 58.159 56.287 0.217 0.000 0.930 150 K CB -0.410 32.205 32.500 0.190 0.000 0.716 150 K HN 0.616 nan 8.250 nan 0.000 0.444 151 S N 1.637 117.416 115.700 0.132 0.000 2.368 151 S HA -0.127 4.342 4.470 -0.001 0.000 0.224 151 S C 2.112 176.771 174.600 0.098 0.000 1.029 151 S CA 1.141 59.403 58.200 0.104 0.000 0.988 151 S CB -0.717 62.544 63.200 0.102 0.000 0.838 151 S HN 0.463 nan 8.310 nan 0.000 0.462 152 I N -0.450 120.187 120.570 0.112 0.000 2.928 152 I HA 0.096 4.265 4.170 -0.001 0.000 0.266 152 I C 1.939 178.092 176.117 0.060 0.000 1.234 152 I CA 0.444 61.793 61.300 0.081 0.000 1.483 152 I CB -0.382 37.667 38.000 0.081 0.000 1.097 152 I HN 0.126 nan 8.210 nan 0.000 0.455 153 V N 1.487 121.453 119.914 0.087 0.000 2.346 153 V HA -0.174 3.945 4.120 -0.001 0.000 0.244 153 V C 2.689 178.820 176.094 0.061 0.000 1.037 153 V CA 1.891 64.233 62.300 0.071 0.000 1.029 153 V CB -0.680 31.246 31.823 0.172 0.000 0.663 153 V HN 0.417 nan 8.190 nan 0.000 0.454 154 K N 1.406 121.849 120.400 0.072 0.000 2.097 154 K HA -0.215 4.104 4.320 -0.001 0.000 0.206 154 K C 1.756 178.376 176.600 0.033 0.000 1.049 154 K CA 1.803 58.121 56.287 0.051 0.000 0.933 154 K CB -0.190 32.341 32.500 0.052 0.000 0.717 154 K HN 0.666 nan 8.250 nan 0.000 0.442 155 N N -0.630 118.090 118.700 0.033 0.000 2.398 155 N HA -0.003 4.737 4.740 -0.001 0.000 0.188 155 N C 0.836 176.352 175.510 0.011 0.000 1.122 155 N CA 1.069 54.132 53.050 0.021 0.000 0.866 155 N CB 0.448 38.949 38.487 0.023 0.000 0.970 155 N HN 0.310 nan 8.380 nan 0.000 0.462 156 G N -0.207 108.596 108.800 0.005 0.000 2.157 156 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.248 156 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.248 156 G C 0.779 175.667 174.900 -0.019 0.000 0.979 156 G CA 0.459 45.551 45.100 -0.014 0.000 0.650 156 G HN 0.453 nan 8.290 nan 0.000 0.529 157 Q N -1.314 118.482 119.800 -0.007 0.000 2.096 157 Q HA 0.203 4.542 4.340 -0.001 0.000 0.197 157 Q C 1.149 177.141 176.000 -0.014 0.000 0.964 157 Q CA 1.010 56.813 55.803 -0.001 0.000 0.838 157 Q CB 0.192 28.936 28.738 0.010 0.000 0.906 157 Q HN 0.558 nan 8.270 nan 0.000 0.444 158 L N 1.374 122.570 121.223 -0.044 0.000 2.265 158 L HA 0.279 4.619 4.340 -0.001 0.000 0.289 158 L C -0.924 175.777 176.870 -0.282 0.000 1.033 158 L CA -0.039 54.727 54.840 -0.124 0.000 0.814 158 L CB 1.363 43.356 42.059 -0.111 0.000 1.203 158 L HN -0.058 nan 8.230 nan 0.000 0.423 159 E N 4.547 124.543 120.200 -0.341 0.000 2.199 159 E HA 0.341 4.690 4.350 -0.001 0.000 0.265 159 E C -1.404 174.936 176.600 -0.432 0.000 0.882 159 E CA -0.699 55.506 56.400 -0.325 0.000 0.759 159 E CB 0.934 30.521 29.700 -0.188 0.000 1.148 159 E HN 0.523 nan 8.360 nan 0.000 0.412 160 F N 3.279 123.181 119.950 -0.080 0.000 2.456 160 F HA 0.205 4.731 4.527 -0.001 0.000 0.358 160 F C 0.350 176.117 175.800 -0.056 0.000 1.095 160 F CA -0.522 57.442 58.000 -0.059 0.000 1.216 160 F CB 1.160 40.136 39.000 -0.040 0.000 1.125 160 F HN 0.199 nan 8.300 nan 0.000 0.549 161 V N 0.122 120.098 119.914 0.104 0.000 2.448 161 V HA 0.615 4.735 4.120 -0.001 0.000 0.295 161 V C 0.179 176.398 176.094 0.208 0.000 1.025 161 V CA -0.460 61.895 62.300 0.091 0.000 0.859 161 V CB 0.883 32.644 31.823 -0.102 0.000 0.988 161 V HN 1.002 nan 8.190 nan 0.000 0.431 162 T N 3.400 118.147 114.554 0.323 0.000 12.940 162 T HA -0.296 4.053 4.350 -0.001 0.000 0.419 162 T C 1.753 176.677 174.700 0.374 0.000 1.444 162 T CA 2.731 65.072 62.100 0.402 0.000 2.373 162 T CB -1.704 67.308 68.868 0.240 0.000 2.821 162 T HN 2.772 nan 8.240 nan 0.000 0.696 163 G N 1.865 110.824 108.800 0.265 0.000 2.136 163 G HA2 0.120 4.080 3.960 -0.001 0.000 0.242 163 G HA3 0.120 4.080 3.960 -0.001 0.000 0.242 163 G C 0.314 175.354 174.900 0.232 0.000 0.989 163 G CA 0.577 45.809 45.100 0.219 0.000 0.682 163 G HN 1.576 nan 8.290 nan 0.000 0.522 164 G N -1.593 107.345 108.800 0.229 0.000 2.572 164 G HA2 0.359 4.318 3.960 -0.001 0.000 0.261 164 G HA3 0.359 4.318 3.960 -0.001 0.000 0.261 164 G C 0.991 176.068 174.900 0.294 0.000 1.197 164 G CA 0.192 45.439 45.100 0.245 0.000 0.870 164 G HN 0.338 nan 8.290 nan 0.000 0.548 165 W N 0.438 121.783 121.300 0.075 0.000 2.325 165 W HA -0.057 4.603 4.660 -0.001 0.000 0.299 165 W C 0.744 177.292 176.519 0.049 0.000 1.215 165 W CA 1.908 59.282 57.345 0.048 0.000 1.244 165 W CB 0.237 29.710 29.460 0.020 0.000 1.140 165 W HN 0.405 nan 8.180 nan 0.000 0.523 166 V N -2.717 117.320 119.914 0.205 0.000 3.105 166 V HA 0.503 4.622 4.120 -0.001 0.000 0.311 166 V C -0.434 175.751 176.094 0.151 0.000 1.287 166 V CA -1.286 61.082 62.300 0.112 0.000 1.066 166 V CB 1.739 33.646 31.823 0.140 0.000 1.105 166 V HN -0.056 nan 8.190 nan 0.000 0.462 167 M N 3.935 123.653 119.600 0.197 0.000 2.152 167 M HA 0.509 4.989 4.480 -0.001 0.000 0.354 167 M C -2.683 173.788 176.300 0.285 0.000 1.173 167 M CA -1.911 53.525 55.300 0.227 0.000 1.110 167 M CB 1.372 34.135 32.600 0.271 0.000 1.366 167 M HN 0.633 nan 8.290 nan 0.000 0.415 168 P HA 0.117 nan 4.420 nan 0.000 0.274 168 P C -0.938 176.387 177.300 0.043 0.000 1.231 168 P CA -0.189 62.974 63.100 0.105 0.000 0.790 168 P CB 0.542 32.287 31.700 0.075 0.000 0.951 169 D N 0.788 121.176 120.400 -0.020 0.000 2.506 169 D HA -0.096 4.544 4.640 -0.001 0.000 0.234 169 D C 0.745 177.066 176.300 0.034 0.000 1.143 169 D CA 0.781 54.752 54.000 -0.049 0.000 0.871 169 D CB 0.443 41.222 40.800 -0.035 0.000 1.190 169 D HN 0.312 nan 8.370 nan 0.000 0.459 170 E N 1.546 121.807 120.200 0.102 0.000 2.511 170 E HA 0.172 4.521 4.350 -0.001 0.000 0.209 170 E C 0.973 177.754 176.600 0.301 0.000 0.986 170 E CA 0.086 56.611 56.400 0.208 0.000 0.974 170 E CB 0.616 30.452 29.700 0.227 0.000 1.030 170 E HN 0.482 nan 8.360 nan 0.000 0.490 171 A N 1.549 124.500 122.820 0.217 0.000 1.887 171 A HA 0.009 4.328 4.320 -0.001 0.000 0.210 171 A C 1.827 179.308 177.584 -0.172 0.000 1.221 171 A CA 0.638 52.581 52.037 -0.157 0.000 0.635 171 A CB 0.015 18.898 19.000 -0.196 0.000 0.881 171 A HN 0.036 nan 8.150 nan 0.000 0.456 172 N N 0.596 119.281 118.700 -0.025 0.000 2.388 172 N HA 0.010 4.750 4.740 -0.001 0.000 0.176 172 N C 0.504 176.008 175.510 -0.009 0.000 1.062 172 N CA 0.763 53.794 53.050 -0.031 0.000 0.895 172 N CB 0.032 38.544 38.487 0.042 0.000 1.018 172 N HN 0.499 nan 8.380 nan 0.000 0.456 173 S N 0.850 116.555 115.700 0.008 0.000 2.562 173 S HA 0.023 4.492 4.470 -0.001 0.000 0.281 173 S C 0.033 174.648 174.600 0.025 0.000 1.333 173 S CA -0.540 57.676 58.200 0.026 0.000 1.052 173 S CB 1.065 64.283 63.200 0.031 0.000 0.884 173 S HN 0.208 nan 8.310 nan 0.000 0.506 174 H N 3.455 122.505 119.070 -0.034 0.000 2.582 174 H HA 0.049 4.604 4.556 -0.001 0.000 0.345 174 H C 1.263 176.562 175.328 -0.048 0.000 1.104 174 H CA -0.280 55.732 56.048 -0.060 0.000 1.390 174 H CB 0.540 30.216 29.762 -0.143 0.000 1.461 174 H HN 1.029 nan 8.280 nan 0.000 0.551 175 W N 5.818 127.013 121.300 -0.175 0.000 2.350 175 W HA -0.178 4.481 4.660 -0.001 0.000 0.289 175 W C 1.067 177.652 176.519 0.111 0.000 1.215 175 W CA 0.424 57.747 57.345 -0.037 0.000 1.236 175 W CB -0.478 28.897 29.460 -0.142 0.000 1.130 175 W HN 0.533 nan 8.180 nan 0.000 0.541 176 R N 0.798 120.924 120.500 -0.624 0.000 2.096 176 R HA -0.136 4.203 4.340 -0.001 0.000 0.235 176 R C 2.010 178.151 176.300 -0.266 0.000 1.127 176 R CA 1.906 57.551 56.100 -0.758 0.000 0.968 176 R CB -0.421 29.375 30.300 -0.840 0.000 0.861 176 R HN 0.153 nan 8.270 nan 0.000 0.440 177 N N -0.192 118.435 118.700 -0.123 0.000 2.376 177 N HA -0.054 4.685 4.740 -0.001 0.000 0.177 177 N C 1.732 177.248 175.510 0.010 0.000 1.024 177 N CA 0.696 53.716 53.050 -0.050 0.000 0.893 177 N CB 0.000 38.476 38.487 -0.019 0.000 0.980 177 N HN -0.001 nan 8.380 nan 0.000 0.439 178 V N 1.497 121.440 119.914 0.048 0.000 2.295 178 V HA -0.183 3.937 4.120 -0.001 0.000 0.246 178 V C 2.349 178.490 176.094 0.077 0.000 1.049 178 V CA 1.114 63.460 62.300 0.077 0.000 1.024 178 V CB -0.515 31.372 31.823 0.107 0.000 0.648 178 V HN 0.191 nan 8.190 nan 0.000 0.447 179 L N -0.324 120.954 121.223 0.093 0.000 2.046 179 L HA -0.121 4.218 4.340 -0.001 0.000 0.208 179 L C 2.180 179.065 176.870 0.024 0.000 1.077 179 L CA 1.803 56.691 54.840 0.079 0.000 0.747 179 L CB -0.700 41.441 42.059 0.137 0.000 0.896 179 L HN 0.283 nan 8.230 nan 0.000 0.432 180 L N -0.138 121.077 121.223 -0.012 0.000 2.012 180 L HA -0.255 4.085 4.340 -0.001 0.000 0.210 180 L C 2.594 179.455 176.870 -0.013 0.000 1.073 180 L CA 2.351 57.172 54.840 -0.032 0.000 0.748 180 L CB -0.758 41.263 42.059 -0.063 0.000 0.891 180 L HN 0.678 nan 8.230 nan 0.000 0.431 181 Q N -1.050 118.764 119.800 0.024 0.000 2.123 181 Q HA -0.191 4.149 4.340 -0.001 0.000 0.199 181 Q C 2.033 178.115 176.000 0.137 0.000 0.966 181 Q CA 1.998 57.847 55.803 0.077 0.000 0.845 181 Q CB -1.164 27.656 28.738 0.137 0.000 0.907 181 Q HN 0.458 nan 8.270 nan 0.000 0.439 182 L N 0.895 122.186 121.223 0.113 0.000 2.017 182 L HA -0.115 4.224 4.340 -0.001 0.000 0.208 182 L C 1.946 178.896 176.870 0.135 0.000 1.073 182 L CA 2.489 57.410 54.840 0.134 0.000 0.745 182 L CB -1.017 41.100 42.059 0.097 0.000 0.894 182 L HN 0.347 nan 8.230 nan 0.000 0.432 183 T N -1.029 113.573 114.554 0.080 0.000 2.821 183 T HA -0.180 4.169 4.350 -0.001 0.000 0.267 183 T C 1.719 176.471 174.700 0.086 0.000 1.046 183 T CA 1.400 63.541 62.100 0.068 0.000 1.139 183 T CB -0.165 68.717 68.868 0.023 0.000 0.871 183 T HN 0.338 nan 8.240 nan 0.000 0.454 184 E N 1.011 121.234 120.200 0.038 0.000 2.051 184 E HA -0.056 4.294 4.350 -0.001 0.000 0.192 184 E C 2.354 179.068 176.600 0.189 0.000 0.991 184 E CA 1.585 57.959 56.400 -0.045 0.000 0.799 184 E CB -0.869 28.613 29.700 -0.362 0.000 0.748 184 E HN 0.444 nan 8.360 nan 0.000 0.449 185 G N -0.143 108.872 108.800 0.359 0.000 2.402 185 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.216 185 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.216 185 G C 1.492 176.608 174.900 0.361 0.000 1.162 185 G CA 0.697 46.095 45.100 0.497 0.000 0.777 185 G HN 0.263 nan 8.290 nan 0.000 0.539 186 Q N -0.210 119.740 119.800 0.249 0.000 2.172 186 Q HA -0.050 4.289 4.340 -0.001 0.000 0.200 186 Q C 2.784 178.880 176.000 0.160 0.000 0.964 186 Q CA 1.388 57.298 55.803 0.178 0.000 0.855 186 Q CB -0.170 28.655 28.738 0.145 0.000 0.918 186 Q HN 0.411 nan 8.270 nan 0.000 0.444 187 T N 0.169 114.829 114.554 0.177 0.000 2.777 187 T HA -0.177 4.173 4.350 -0.001 0.000 0.266 187 T C 1.089 175.892 174.700 0.172 0.000 1.040 187 T CA 0.967 63.147 62.100 0.134 0.000 1.141 187 T CB -0.357 68.584 68.868 0.123 0.000 0.868 187 T HN 0.464 nan 8.240 nan 0.000 0.444 188 W N 1.641 123.038 121.300 0.161 0.000 2.333 188 W HA -0.091 4.568 4.660 -0.001 0.000 0.316 188 W C 1.807 178.439 176.519 0.189 0.000 1.215 188 W CA 1.029 58.549 57.345 0.291 0.000 1.278 188 W CB -0.452 29.257 29.460 0.415 0.000 1.154 188 W HN 0.142 nan 8.180 nan 0.000 0.486 189 L N 0.568 122.008 121.223 0.361 0.000 2.046 189 L HA -0.252 4.087 4.340 -0.001 0.000 0.208 189 L C 2.596 179.397 176.870 -0.115 0.000 1.077 189 L CA 1.892 56.768 54.840 0.059 0.000 0.747 189 L CB -0.939 41.091 42.059 -0.049 0.000 0.896 189 L HN 0.001 nan 8.230 nan 0.000 0.432 190 K N 0.019 120.372 120.400 -0.079 0.000 2.026 190 K HA -0.270 4.049 4.320 -0.001 0.000 0.208 190 K C 2.203 178.663 176.600 -0.233 0.000 1.048 190 K CA 1.686 57.901 56.287 -0.120 0.000 0.929 190 K CB -0.048 32.409 32.500 -0.072 0.000 0.713 190 K HN 0.243 nan 8.250 nan 0.000 0.439 191 Q N -0.809 118.776 119.800 -0.358 0.000 2.050 191 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 191 Q C 1.503 176.996 176.000 -0.844 0.000 0.980 191 Q CA 1.871 57.286 55.803 -0.645 0.000 0.840 191 Q CB 0.021 28.215 28.738 -0.905 0.000 0.898 191 Q HN 0.361 nan 8.270 nan 0.000 0.424 192 F N -1.534 118.046 119.950 -0.617 0.000 2.622 192 F HA 0.131 4.657 4.527 -0.001 0.000 0.288 192 F C 1.579 177.083 175.800 -0.493 0.000 1.120 192 F CA -0.011 57.561 58.000 -0.712 0.000 1.423 192 F CB 0.512 38.620 39.000 -1.488 0.000 1.127 192 F HN 0.089 nan 8.300 nan 0.000 0.588 193 M N -0.925 118.523 119.600 -0.254 0.000 2.306 193 M HA 0.242 4.721 4.480 -0.001 0.000 0.292 193 M C 0.183 176.457 176.300 -0.043 0.000 1.018 193 M CA 0.153 55.406 55.300 -0.079 0.000 1.007 193 M CB -0.970 31.625 32.600 -0.008 0.000 1.510 193 M HN 0.072 nan 8.290 nan 0.000 0.537 194 N N 2.106 120.749 118.700 -0.096 0.000 2.727 194 N HA -0.132 4.607 4.740 -0.001 0.000 0.249 194 N C -0.956 174.535 175.510 -0.033 0.000 1.048 194 N CA 0.724 53.733 53.050 -0.068 0.000 0.714 194 N CB -0.924 37.535 38.487 -0.046 0.000 0.959 194 N HN 0.419 nan 8.380 nan 0.000 0.544 195 V N -3.891 116.003 119.914 -0.033 0.000 3.049 195 V HA 0.885 5.004 4.120 -0.001 0.000 0.309 195 V C 0.024 176.101 176.094 -0.028 0.000 1.148 195 V CA -0.479 61.817 62.300 -0.007 0.000 0.990 195 V CB 2.394 34.256 31.823 0.065 0.000 1.039 195 V HN 0.054 nan 8.190 nan 0.000 0.430 196 T N 3.710 118.239 114.554 -0.042 0.000 2.930 196 T HA 0.574 4.923 4.350 -0.001 0.000 0.313 196 T C -2.750 171.869 174.700 -0.136 0.000 1.019 196 T CA -0.728 61.327 62.100 -0.074 0.000 1.004 196 T CB 1.327 70.143 68.868 -0.086 0.000 0.987 196 T HN 0.775 nan 8.240 nan 0.000 0.456 197 P HA 0.186 nan 4.420 nan 0.000 0.267 197 P C 0.836 177.761 177.300 -0.624 0.000 1.200 197 P CA -0.187 62.793 63.100 -0.200 0.000 0.772 197 P CB 0.534 32.225 31.700 -0.014 0.000 0.855 198 T N -2.088 112.150 114.554 -0.527 0.000 3.043 198 T HA 0.551 4.901 4.350 -0.001 0.000 0.272 198 T C 0.291 174.828 174.700 -0.273 0.000 0.990 198 T CA -0.279 61.403 62.100 -0.696 0.000 0.897 198 T CB 0.092 68.749 68.868 -0.352 0.000 1.111 198 T HN 0.422 nan 8.240 nan 0.000 0.529 199 A N 0.849 123.659 122.820 -0.017 0.000 2.355 199 A HA 0.808 5.127 4.320 -0.001 0.000 0.317 199 A C -0.186 177.661 177.584 0.438 0.000 1.094 199 A CA -0.701 51.468 52.037 0.221 0.000 0.764 199 A CB 1.841 20.980 19.000 0.232 0.000 1.230 199 A HN 0.266 nan 8.150 nan 0.000 0.448 200 S N 2.075 118.020 115.700 0.409 0.000 2.549 200 S HA 0.675 5.144 4.470 -0.001 0.000 0.297 200 S C -1.155 173.635 174.600 0.317 0.000 1.115 200 S CA -0.427 57.958 58.200 0.308 0.000 1.059 200 S CB 0.768 63.981 63.200 0.021 0.000 1.046 200 S HN 0.793 nan 8.310 nan 0.000 0.506 201 W N 4.588 125.904 121.300 0.026 0.000 2.499 201 W HA 0.633 5.292 4.660 -0.001 0.000 0.320 201 W C -1.428 175.041 176.519 -0.084 0.000 1.010 201 W CA -0.830 56.483 57.345 -0.053 0.000 1.267 201 W CB 1.162 30.561 29.460 -0.100 0.000 1.316 201 W HN 0.788 nan 8.180 nan 0.000 0.431 202 A N 7.869 130.535 122.820 -0.257 0.000 2.893 202 A HA 0.286 4.605 4.320 -0.001 0.000 0.333 202 A C 0.304 177.640 177.584 -0.413 0.000 1.152 202 A CA -0.473 51.422 52.037 -0.237 0.000 0.782 202 A CB -0.313 18.667 19.000 -0.033 0.000 1.108 202 A HN 0.704 nan 8.150 nan 0.000 0.469 203 I N -2.578 117.568 120.570 -0.706 0.000 3.427 203 I HA 0.260 4.429 4.170 -0.001 0.000 0.288 203 I C 0.856 176.656 176.117 -0.529 0.000 1.249 203 I CA 0.899 61.739 61.300 -0.768 0.000 1.421 203 I CB 0.398 37.666 38.000 -1.220 0.000 1.086 203 I HN 0.333 nan 8.210 nan 0.000 0.448 204 D N 0.396 120.442 120.400 -0.590 0.000 2.489 204 D HA 0.252 4.891 4.640 -0.001 0.000 0.231 204 D C -2.137 173.735 176.300 -0.713 0.000 1.114 204 D CA -0.783 52.882 54.000 -0.558 0.000 0.842 204 D CB 0.026 40.441 40.800 -0.642 0.000 1.133 204 D HN 0.179 nan 8.370 nan 0.000 0.506 205 P HA 0.029 nan 4.420 nan 0.000 0.268 205 P C -0.508 176.333 177.300 -0.764 0.000 1.208 205 P CA 0.098 62.654 63.100 -0.906 0.000 0.777 205 P CB 0.190 31.532 31.700 -0.597 0.000 0.875 206 F N 2.067 121.777 119.950 -0.399 0.000 2.573 206 F HA 0.535 5.061 4.527 -0.001 0.000 0.349 206 F C 1.417 177.148 175.800 -0.116 0.000 1.213 206 F CA -0.631 57.106 58.000 -0.438 0.000 1.300 206 F CB -1.111 37.764 39.000 -0.209 0.000 1.661 206 F HN 0.495 nan 8.300 nan 0.000 0.616 207 G N 1.159 109.709 108.800 -0.416 0.000 2.662 207 G HA2 -0.076 3.883 3.960 -0.001 0.000 0.686 207 G HA3 -0.076 3.883 3.960 -0.001 0.000 0.686 207 G C -1.472 173.040 174.900 -0.648 0.000 1.271 207 G CA -1.154 43.775 45.100 -0.284 0.000 0.816 207 G HN 0.595 nan 8.290 nan 0.000 0.608 208 H N -0.594 118.166 119.070 -0.515 0.000 2.717 208 H HA 0.744 5.299 4.556 -0.001 0.000 0.366 208 H C -0.381 174.825 175.328 -0.204 0.000 1.132 208 H CA 0.033 55.967 56.048 -0.190 0.000 1.180 208 H CB 2.046 31.858 29.762 0.083 0.000 1.678 208 H HN 0.678 nan 8.280 nan 0.000 0.537 209 S N 2.324 118.158 115.700 0.224 0.000 2.501 209 S HA 0.258 4.727 4.470 -0.001 0.000 0.301 209 S C -1.774 172.855 174.600 0.048 0.000 1.096 209 S CA -1.787 56.554 58.200 0.236 0.000 1.063 209 S CB 1.287 64.664 63.200 0.294 0.000 1.042 209 S HN 0.451 nan 8.310 nan 0.000 0.494 210 P HA 0.014 nan 4.420 nan 0.000 0.234 210 P C 1.073 178.122 177.300 -0.418 0.000 1.167 210 P CA 0.722 63.442 63.100 -0.635 0.000 0.763 210 P CB -0.255 31.223 31.700 -0.371 0.000 0.835 211 T N -0.168 114.271 114.554 -0.191 0.000 2.833 211 T HA -0.095 4.254 4.350 -0.001 0.000 0.269 211 T C 1.833 176.481 174.700 -0.087 0.000 1.054 211 T CA 1.194 63.218 62.100 -0.126 0.000 1.135 211 T CB -0.389 68.443 68.868 -0.060 0.000 0.869 211 T HN 0.000 nan 8.240 nan 0.000 0.466 212 M N 0.986 120.498 119.600 -0.148 0.000 2.059 212 M HA -0.006 4.473 4.480 -0.001 0.000 0.259 212 M C -0.593 175.569 176.300 -0.230 0.000 1.072 212 M CA 1.306 56.517 55.300 -0.148 0.000 1.117 212 M CB -2.541 30.000 32.600 -0.098 0.000 1.320 212 M HN 0.137 nan 8.290 nan 0.000 0.408 213 P HA -0.199 nan 4.420 nan 0.000 0.218 213 P C 1.680 178.854 177.300 -0.210 0.000 1.149 213 P CA 1.423 64.329 63.100 -0.323 0.000 0.817 213 P CB -0.425 30.981 31.700 -0.491 0.000 0.785 214 Y N 1.146 121.259 120.300 -0.311 0.000 2.097 214 Y HA -0.213 4.336 4.550 -0.001 0.000 0.282 214 Y C 2.430 178.246 175.900 -0.140 0.000 1.152 214 Y CA 1.741 59.721 58.100 -0.200 0.000 1.136 214 Y CB -0.940 37.418 38.460 -0.170 0.000 0.975 214 Y HN -0.239 nan 8.280 nan 0.000 0.498 215 I N -0.428 120.166 120.570 0.040 0.000 2.252 215 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 215 I C 2.284 178.336 176.117 -0.108 0.000 1.102 215 I CA 1.196 62.487 61.300 -0.015 0.000 1.385 215 I CB -0.429 37.619 38.000 0.080 0.000 1.064 215 I HN 0.266 nan 8.210 nan 0.000 0.414 216 L N 0.106 121.214 121.223 -0.191 0.000 2.046 216 L HA -0.223 4.116 4.340 -0.001 0.000 0.208 216 L C 2.706 179.557 176.870 -0.031 0.000 1.077 216 L CA 1.205 55.865 54.840 -0.300 0.000 0.747 216 L CB -0.705 40.990 42.059 -0.606 0.000 0.896 216 L HN 0.351 nan 8.230 nan 0.000 0.432 217 Q N 1.125 120.876 119.800 -0.081 0.000 2.170 217 Q HA -0.202 4.137 4.340 -0.001 0.000 0.203 217 Q C 1.721 177.683 176.000 -0.064 0.000 0.976 217 Q CA 1.513 57.287 55.803 -0.048 0.000 0.858 217 Q CB 0.099 28.779 28.738 -0.097 0.000 0.907 217 Q HN 0.469 nan 8.270 nan 0.000 0.433 218 K N -0.456 119.868 120.400 -0.126 0.000 2.487 218 K HA 0.095 4.415 4.320 -0.001 0.000 0.192 218 K C 0.714 177.281 176.600 -0.055 0.000 1.027 218 K CA 0.206 56.413 56.287 -0.133 0.000 1.054 218 K CB 0.478 32.831 32.500 -0.244 0.000 0.824 218 K HN -0.061 nan 8.250 nan 0.000 0.510 219 S N -0.307 115.414 115.700 0.034 0.000 2.754 219 S HA 0.206 4.675 4.470 -0.001 0.000 0.247 219 S C 0.765 175.464 174.600 0.165 0.000 1.031 219 S CA 0.100 58.366 58.200 0.111 0.000 1.014 219 S CB 1.322 64.627 63.200 0.176 0.000 0.918 219 S HN 0.519 nan 8.310 nan 0.000 0.519 220 G N 1.230 110.081 108.800 0.084 0.000 2.176 220 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.253 220 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.253 220 G C -0.020 174.858 174.900 -0.036 0.000 0.979 220 G CA -0.416 44.678 45.100 -0.009 0.000 0.641 220 G HN 0.434 nan 8.290 nan 0.000 0.530 221 F N 0.405 120.315 119.950 -0.067 0.000 2.450 221 F HA 0.575 5.102 4.527 -0.001 0.000 0.339 221 F C 1.582 177.323 175.800 -0.097 0.000 1.146 221 F CA 0.033 57.989 58.000 -0.073 0.000 1.267 221 F CB 0.912 39.873 39.000 -0.065 0.000 1.178 221 F HN -0.190 nan 8.300 nan 0.000 0.585 222 K N 0.890 121.310 120.400 0.033 0.000 2.425 222 K HA 0.247 4.566 4.320 -0.001 0.000 0.201 222 K C -0.610 175.931 176.600 -0.098 0.000 1.128 222 K CA 0.071 56.317 56.287 -0.067 0.000 1.000 222 K CB 0.215 32.625 32.500 -0.150 0.000 0.961 222 K HN 0.617 nan 8.250 nan 0.000 0.555 223 N N 0.310 118.934 118.700 -0.126 0.000 2.484 223 N HA 0.440 5.180 4.740 -0.001 0.000 0.269 223 N C -1.127 174.236 175.510 -0.244 0.000 1.237 223 N CA -0.633 52.181 53.050 -0.393 0.000 0.838 223 N CB 2.236 39.943 38.487 -1.300 0.000 1.593 223 N HN -0.099 nan 8.380 nan 0.000 0.485 224 M N -0.189 119.287 119.600 -0.206 0.000 2.569 224 M HA 0.644 5.124 4.480 -0.001 0.000 0.279 224 M C -2.048 174.325 176.300 0.121 0.000 1.253 224 M CA -0.957 54.343 55.300 0.001 0.000 0.867 224 M CB 2.493 35.081 32.600 -0.021 0.000 1.727 224 M HN 0.499 nan 8.290 nan 0.000 0.467 225 L N 3.377 124.681 121.223 0.134 0.000 2.408 225 L HA 0.875 5.215 4.340 -0.001 0.000 0.268 225 L C -1.507 175.242 176.870 -0.203 0.000 0.986 225 L CA -0.748 54.124 54.840 0.054 0.000 0.820 225 L CB 2.061 44.194 42.059 0.124 0.000 1.303 225 L HN 0.946 nan 8.230 nan 0.000 0.411 226 I N 0.852 121.214 120.570 -0.346 0.000 3.042 226 I HA 0.607 4.776 4.170 -0.001 0.000 0.310 226 I C -0.742 175.075 176.117 -0.500 0.000 1.117 226 I CA -0.568 60.342 61.300 -0.650 0.000 1.003 226 I CB 2.263 39.604 38.000 -1.098 0.000 1.228 226 I HN 0.726 nan 8.210 nan 0.000 0.443 227 Q N 2.126 121.689 119.800 -0.396 0.000 2.563 227 Q HA 0.340 4.680 4.340 -0.001 0.000 0.236 227 Q C 0.056 175.950 176.000 -0.176 0.000 0.792 227 Q CA 0.473 56.126 55.803 -0.249 0.000 0.960 227 Q CB 0.654 29.244 28.738 -0.246 0.000 1.304 227 Q HN 0.654 nan 8.270 nan 0.000 0.566 228 R N 2.059 122.473 120.500 -0.143 0.000 2.608 228 R HA 0.321 4.660 4.340 -0.001 0.000 0.277 228 R C -0.671 175.366 176.300 -0.438 0.000 1.341 228 R CA 0.499 56.251 56.100 -0.581 0.000 1.199 228 R CB 0.217 29.833 30.300 -1.139 0.000 1.156 228 R HN 0.379 nan 8.270 nan 0.000 0.558 229 T N -2.488 112.032 114.554 -0.057 0.000 2.924 229 T HA 0.134 4.483 4.350 -0.001 0.000 0.291 229 T C 0.041 174.989 174.700 0.413 0.000 1.045 229 T CA -0.883 61.315 62.100 0.163 0.000 1.015 229 T CB 1.815 70.624 68.868 -0.098 0.000 1.103 229 T HN 0.416 nan 8.240 nan 0.000 0.496 230 H N 2.016 121.292 119.070 0.344 0.000 3.064 230 H HA -0.042 4.513 4.556 -0.001 0.000 0.329 230 H C 1.070 176.450 175.328 0.087 0.000 1.020 230 H CA 0.437 56.587 56.048 0.171 0.000 1.402 230 H CB 0.329 30.214 29.762 0.205 0.000 1.379 230 H HN 0.930 nan 8.280 nan 0.000 0.594 231 Y N 2.343 122.747 120.300 0.174 0.000 2.256 231 Y HA -0.186 4.364 4.550 -0.001 0.000 0.288 231 Y C 2.194 178.262 175.900 0.279 0.000 1.155 231 Y CA 1.019 59.248 58.100 0.213 0.000 1.203 231 Y CB -0.676 37.847 38.460 0.105 0.000 0.980 231 Y HN 0.302 nan 8.280 nan 0.000 0.530 232 S N 0.354 116.092 115.700 0.063 0.000 2.406 232 S HA -0.115 4.354 4.470 -0.001 0.000 0.228 232 S C 2.090 176.608 174.600 -0.137 0.000 1.020 232 S CA 1.138 59.266 58.200 -0.119 0.000 0.965 232 S CB -0.561 62.357 63.200 -0.470 0.000 0.798 232 S HN 0.368 nan 8.310 nan 0.000 0.488 233 V N 2.074 121.962 119.914 -0.043 0.000 2.358 233 V HA -0.188 3.931 4.120 -0.001 0.000 0.246 233 V C 2.247 178.371 176.094 0.051 0.000 1.047 233 V CA 1.621 63.928 62.300 0.012 0.000 1.035 233 V CB -0.541 31.391 31.823 0.182 0.000 0.658 233 V HN 0.416 nan 8.190 nan 0.000 0.452 234 K N 0.144 120.616 120.400 0.120 0.000 2.032 234 K HA -0.255 4.065 4.320 -0.001 0.000 0.209 234 K C 2.281 179.003 176.600 0.204 0.000 1.048 234 K CA 1.865 58.241 56.287 0.148 0.000 0.927 234 K CB -0.259 32.385 32.500 0.241 0.000 0.712 234 K HN 0.353 nan 8.250 nan 0.000 0.441 235 K N 1.157 121.675 120.400 0.197 0.000 2.026 235 K HA -0.242 4.077 4.320 -0.001 0.000 0.208 235 K C 2.161 178.843 176.600 0.137 0.000 1.048 235 K CA 1.793 58.200 56.287 0.200 0.000 0.929 235 K CB 0.026 32.574 32.500 0.080 0.000 0.713 235 K HN -0.020 nan 8.250 nan 0.000 0.439 236 E N 0.879 121.085 120.200 0.010 0.000 2.051 236 E HA -0.152 4.197 4.350 -0.001 0.000 0.192 236 E C 1.929 178.518 176.600 -0.018 0.000 0.991 236 E CA 1.457 57.823 56.400 -0.056 0.000 0.799 236 E CB -0.199 29.421 29.700 -0.134 0.000 0.748 236 E HN 0.360 nan 8.360 nan 0.000 0.449 237 L N -0.237 120.986 121.223 0.000 0.000 2.109 237 L HA -0.036 4.304 4.340 -0.001 0.000 0.207 237 L C 2.508 179.394 176.870 0.027 0.000 1.086 237 L CA 0.866 55.701 54.840 -0.009 0.000 0.760 237 L CB -0.579 41.459 42.059 -0.034 0.000 0.910 237 L HN 0.204 nan 8.230 nan 0.000 0.437 238 A N -0.189 122.698 122.820 0.112 0.000 1.940 238 A HA -0.258 4.062 4.320 -0.001 0.000 0.219 238 A C 2.217 179.978 177.584 0.296 0.000 1.176 238 A CA 1.567 53.730 52.037 0.210 0.000 0.631 238 A CB -0.456 18.816 19.000 0.455 0.000 0.814 238 A HN 0.471 nan 8.150 nan 0.000 0.446 239 Q N -1.011 118.908 119.800 0.197 0.000 2.226 239 Q HA -0.126 4.213 4.340 -0.001 0.000 0.204 239 Q C 1.291 177.276 176.000 -0.025 0.000 0.975 239 Q CA 1.178 56.950 55.803 -0.051 0.000 0.866 239 Q CB 0.006 28.579 28.738 -0.275 0.000 0.915 239 Q HN 0.614 nan 8.270 nan 0.000 0.440 240 Q N -0.198 119.601 119.800 -0.002 0.000 2.247 240 Q HA 0.148 4.488 4.340 -0.001 0.000 0.204 240 Q C -0.431 175.582 176.000 0.021 0.000 0.872 240 Q CA -0.038 55.761 55.803 -0.006 0.000 0.951 240 Q CB 0.700 29.424 28.738 -0.023 0.000 1.099 240 Q HN 0.272 nan 8.270 nan 0.000 0.501 241 R N 0.852 121.371 120.500 0.031 0.000 3.322 241 R HA -0.212 4.128 4.340 -0.001 0.000 0.253 241 R C -0.113 176.215 176.300 0.046 0.000 0.987 241 R CA 0.484 56.594 56.100 0.017 0.000 0.666 241 R CB -1.919 28.415 30.300 0.056 0.000 1.072 241 R HN 0.381 nan 8.270 nan 0.000 0.447 242 Q N 0.024 119.841 119.800 0.027 0.000 2.165 242 Q HA 0.202 4.542 4.340 -0.001 0.000 0.245 242 Q C 1.163 177.234 176.000 0.118 0.000 0.841 242 Q CA -0.230 55.622 55.803 0.081 0.000 1.078 242 Q CB 0.564 29.317 28.738 0.025 0.000 1.169 242 Q HN 0.437 nan 8.270 nan 0.000 0.475 243 L N 0.094 121.322 121.223 0.008 0.000 2.418 243 L HA 0.062 4.402 4.340 -0.001 0.000 0.218 243 L C 0.253 177.099 176.870 -0.040 0.000 1.125 243 L CA 0.891 55.706 54.840 -0.041 0.000 0.835 243 L CB 0.351 42.204 42.059 -0.343 0.000 0.953 243 L HN 0.181 nan 8.230 nan 0.000 0.454 244 E N 0.247 120.466 120.200 0.032 0.000 2.158 244 E HA 0.522 4.872 4.350 -0.001 0.000 0.271 244 E C -1.215 175.304 176.600 -0.134 0.000 0.911 244 E CA -0.541 55.690 56.400 -0.282 0.000 0.767 244 E CB 1.536 31.171 29.700 -0.108 0.000 1.120 244 E HN 0.004 nan 8.360 nan 0.000 0.405 245 F N -0.340 119.360 119.950 -0.416 0.000 2.668 245 F HA 0.460 4.986 4.527 -0.001 0.000 0.309 245 F C -1.543 174.153 175.800 -0.173 0.000 1.117 245 F CA -1.393 56.506 58.000 -0.168 0.000 0.951 245 F CB 0.783 39.713 39.000 -0.116 0.000 1.323 245 F HN 0.165 nan 8.300 nan 0.000 0.451 246 L N 2.702 124.087 121.223 0.269 0.000 2.282 246 L HA 0.162 4.502 4.340 -0.001 0.000 0.287 246 L C -1.060 176.041 176.870 0.385 0.000 1.075 246 L CA -0.212 54.784 54.840 0.260 0.000 0.839 246 L CB 0.416 42.627 42.059 0.254 0.000 1.219 246 L HN 0.591 nan 8.230 nan 0.000 0.434 247 W N 6.798 128.210 121.300 0.187 0.000 2.387 247 W HA 0.318 4.977 4.660 -0.001 0.000 0.310 247 W C 0.291 176.836 176.519 0.044 0.000 1.181 247 W CA -1.276 56.192 57.345 0.206 0.000 1.333 247 W CB 0.415 30.041 29.460 0.278 0.000 1.286 247 W HN 0.505 nan 8.180 nan 0.000 0.455 248 R N 3.817 124.489 120.500 0.287 0.000 2.758 248 R HA 0.533 4.872 4.340 -0.001 0.000 0.265 248 R C -0.073 176.135 176.300 -0.152 0.000 1.016 248 R CA -0.899 55.199 56.100 -0.004 0.000 1.040 248 R CB 1.075 31.356 30.300 -0.032 0.000 1.152 248 R HN 0.242 nan 8.270 nan 0.000 0.503 249 Q N 1.404 120.957 119.800 -0.411 0.000 2.421 249 Q HA 0.057 4.396 4.340 -0.001 0.000 0.255 249 Q C 1.463 177.074 176.000 -0.648 0.000 1.013 249 Q CA 0.096 55.456 55.803 -0.737 0.000 0.895 249 Q CB 0.792 28.621 28.738 -1.515 0.000 1.271 249 Q HN 0.850 nan 8.270 nan 0.000 0.460 250 I N -2.122 118.168 120.570 -0.467 0.000 2.567 250 I HA -0.155 4.014 4.170 -0.001 0.000 0.257 250 I C 1.377 177.441 176.117 -0.089 0.000 1.184 250 I CA 1.269 62.463 61.300 -0.176 0.000 1.451 250 I CB -0.381 37.611 38.000 -0.013 0.000 1.089 250 I HN 0.678 nan 8.210 nan 0.000 0.441 251 W N 1.396 122.757 121.300 0.101 0.000 3.197 251 W HA 0.328 4.988 4.660 -0.001 0.000 0.274 251 W C 0.342 176.937 176.519 0.127 0.000 1.297 251 W CA -0.473 56.993 57.345 0.202 0.000 1.662 251 W CB -0.664 29.002 29.460 0.344 0.000 1.106 251 W HN -0.057 nan 8.180 nan 0.000 0.663 252 D N 1.650 121.841 120.400 -0.348 0.000 2.374 252 D HA 0.028 4.667 4.640 -0.001 0.000 0.240 252 D C 0.465 176.745 176.300 -0.035 0.000 1.229 252 D CA 0.195 54.086 54.000 -0.181 0.000 0.895 252 D CB 0.279 40.863 40.800 -0.360 0.000 1.046 252 D HN 0.091 nan 8.370 nan 0.000 0.498 253 N N 2.652 121.388 118.700 0.060 0.000 2.354 253 N HA -0.053 4.687 4.740 -0.001 0.000 0.179 253 N C 1.394 176.923 175.510 0.032 0.000 1.021 253 N CA 0.557 53.633 53.050 0.043 0.000 0.887 253 N CB 0.254 38.783 38.487 0.071 0.000 0.974 253 N HN 0.341 nan 8.380 nan 0.000 0.437 254 K N -0.517 119.907 120.400 0.040 0.000 2.186 254 K HA 0.066 4.386 4.320 -0.001 0.000 0.202 254 K C 0.686 177.300 176.600 0.023 0.000 1.052 254 K CA 0.947 57.255 56.287 0.034 0.000 0.965 254 K CB 0.237 32.762 32.500 0.042 0.000 0.746 254 K HN 0.194 nan 8.250 nan 0.000 0.457 255 G N 0.895 109.700 108.800 0.010 0.000 2.163 255 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.213 255 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.213 255 G C 0.159 175.061 174.900 0.003 0.000 0.991 255 G CA 0.340 45.444 45.100 0.006 0.000 0.653 255 G HN 0.365 nan 8.290 nan 0.000 0.518 256 D N 0.750 121.153 120.400 0.004 0.000 2.310 256 D HA -0.033 4.606 4.640 -0.001 0.000 0.212 256 D C 2.565 178.852 176.300 -0.022 0.000 0.965 256 D CA 1.715 55.715 54.000 0.000 0.000 0.879 256 D CB -0.285 40.522 40.800 0.011 0.000 0.921 256 D HN 0.672 nan 8.370 nan 0.000 0.510 257 T N -1.884 112.646 114.554 -0.041 0.000 3.113 257 T HA 0.274 4.624 4.350 -0.001 0.000 0.256 257 T C 0.992 175.652 174.700 -0.068 0.000 1.131 257 T CA -0.032 62.021 62.100 -0.077 0.000 1.074 257 T CB -0.026 68.774 68.868 -0.113 0.000 0.944 257 T HN 0.069 nan 8.240 nan 0.000 0.516 258 A N 1.347 124.154 122.820 -0.021 0.000 2.498 258 A HA 0.566 4.885 4.320 -0.001 0.000 0.239 258 A C -0.292 177.313 177.584 0.035 0.000 1.068 258 A CA -0.386 51.670 52.037 0.031 0.000 0.766 258 A CB -0.067 18.977 19.000 0.075 0.000 1.003 258 A HN 0.545 nan 8.150 nan 0.000 0.497 259 L N 2.665 123.929 121.223 0.069 0.000 2.409 259 L HA 0.553 4.893 4.340 -0.001 0.000 0.272 259 L C -0.654 176.283 176.870 0.111 0.000 0.980 259 L CA -0.536 54.343 54.840 0.064 0.000 0.826 259 L CB 1.393 43.451 42.059 -0.001 0.000 1.268 259 L HN 0.660 nan 8.230 nan 0.000 0.407 260 F N 3.904 123.821 119.950 -0.055 0.000 2.578 260 F HA 0.379 4.905 4.527 -0.001 0.000 0.381 260 F C 0.045 175.735 175.800 -0.183 0.000 1.069 260 F CA 0.766 58.700 58.000 -0.110 0.000 1.231 260 F CB 0.448 39.400 39.000 -0.080 0.000 1.086 260 F HN 0.559 nan 8.300 nan 0.000 0.564 261 T N 5.390 119.417 114.554 -0.878 0.000 2.848 261 T HA 0.202 4.552 4.350 -0.001 0.000 0.285 261 T C -1.585 172.508 174.700 -1.012 0.000 0.995 261 T CA -0.478 61.163 62.100 -0.765 0.000 0.970 261 T CB 0.903 69.313 68.868 -0.764 0.000 0.976 261 T HN 0.616 nan 8.240 nan 0.000 0.441 262 H N 2.821 121.592 119.070 -0.498 0.000 2.541 262 H HA 0.623 5.178 4.556 -0.001 0.000 0.316 262 H C -0.404 174.734 175.328 -0.316 0.000 1.043 262 H CA -0.762 55.102 56.048 -0.306 0.000 1.232 262 H CB 0.754 30.544 29.762 0.046 0.000 1.406 262 H HN 0.475 nan 8.280 nan 0.000 0.469 263 M N 6.693 125.976 119.600 -0.528 0.000 2.113 263 M HA 0.288 4.767 4.480 -0.001 0.000 0.352 263 M C -0.952 175.103 176.300 -0.409 0.000 1.170 263 M CA -0.651 54.407 55.300 -0.402 0.000 1.053 263 M CB 0.668 33.081 32.600 -0.311 0.000 1.601 263 M HN 0.713 nan 8.290 nan 0.000 0.459 264 M N 7.199 126.658 119.600 -0.234 0.000 2.248 264 M HA 0.177 4.657 4.480 -0.001 0.000 0.337 264 M C -1.548 174.622 176.300 -0.215 0.000 1.121 264 M CA -0.987 54.223 55.300 -0.151 0.000 1.155 264 M CB 0.408 32.939 32.600 -0.116 0.000 1.514 264 M HN 0.466 nan 8.290 nan 0.000 0.452 265 P HA 0.118 nan 4.420 nan 0.000 0.252 265 P C -0.382 176.744 177.300 -0.291 0.000 1.218 265 P CA 0.848 63.657 63.100 -0.484 0.000 0.807 265 P CB 0.331 31.449 31.700 -0.969 0.000 1.072 266 F N -2.217 117.744 119.950 0.018 0.000 2.611 266 F HA 0.305 4.831 4.527 -0.001 0.000 0.374 266 F C 2.112 178.001 175.800 0.149 0.000 1.110 266 F CA -1.280 56.766 58.000 0.076 0.000 1.090 266 F CB 0.280 39.260 39.000 -0.033 0.000 1.388 266 F HN -0.320 nan 8.300 nan 0.000 0.501 267 Y N 0.292 120.729 120.300 0.227 0.000 2.373 267 Y HA 0.085 4.634 4.550 -0.001 0.000 0.293 267 Y C 0.793 176.607 175.900 -0.144 0.000 1.129 267 Y CA 1.069 59.161 58.100 -0.014 0.000 1.226 267 Y CB 0.080 38.424 38.460 -0.194 0.000 1.000 267 Y HN 0.338 nan 8.280 nan 0.000 0.549 268 S N -1.965 113.616 115.700 -0.197 0.000 2.638 268 S HA 0.241 4.711 4.470 -0.001 0.000 0.274 268 S C -0.344 174.200 174.600 -0.094 0.000 1.157 268 S CA -0.370 57.620 58.200 -0.350 0.000 0.826 268 S CB 0.258 63.195 63.200 -0.437 0.000 1.139 268 S HN 0.274 nan 8.310 nan 0.000 0.474 269 Y N 0.762 121.031 120.300 -0.052 0.000 2.490 269 Y HA 0.305 4.854 4.550 -0.001 0.000 0.281 269 Y C 0.446 176.435 175.900 0.148 0.000 1.174 269 Y CA -0.501 57.596 58.100 -0.007 0.000 1.295 269 Y CB -0.972 37.392 38.460 -0.160 0.000 1.062 269 Y HN 0.512 nan 8.280 nan 0.000 0.522 270 D N 0.695 121.146 120.400 0.085 0.000 2.371 270 D HA -0.017 4.623 4.640 -0.001 0.000 0.242 270 D C 1.226 177.657 176.300 0.218 0.000 1.218 270 D CA -0.412 53.697 54.000 0.181 0.000 0.945 270 D CB 0.885 41.752 40.800 0.112 0.000 1.137 270 D HN 0.266 nan 8.370 nan 0.000 0.464 271 I N -0.127 120.545 120.570 0.171 0.000 2.226 271 I HA -0.144 4.025 4.170 -0.001 0.000 0.245 271 I C -0.753 175.395 176.117 0.052 0.000 1.100 271 I CA 0.745 62.128 61.300 0.138 0.000 1.374 271 I CB -1.185 36.885 38.000 0.116 0.000 1.057 271 I HN 0.332 nan 8.210 nan 0.000 0.413 272 P HA -0.169 nan 4.420 nan 0.000 0.218 272 P C 0.919 177.906 177.300 -0.521 0.000 1.146 272 P CA 1.547 64.449 63.100 -0.331 0.000 0.813 272 P CB -0.097 31.387 31.700 -0.360 0.000 0.778 273 H N -2.387 116.678 119.070 -0.009 0.000 2.486 273 H HA 0.273 4.829 4.556 -0.001 0.000 0.284 273 H C 0.788 176.212 175.328 0.161 0.000 1.103 273 H CA 0.835 56.893 56.048 0.016 0.000 1.089 273 H CB 0.045 29.883 29.762 0.127 0.000 1.603 273 H HN 0.233 nan 8.280 nan 0.000 0.557 274 T N -3.432 111.235 114.554 0.190 0.000 2.986 274 T HA -0.035 4.314 4.350 -0.001 0.000 0.264 274 T C 1.911 176.735 174.700 0.206 0.000 0.964 274 T CA 0.279 62.522 62.100 0.238 0.000 0.895 274 T CB -0.828 68.171 68.868 0.218 0.000 1.163 274 T HN 0.429 nan 8.240 nan 0.000 0.517 275 c N 1.632 120.320 118.600 0.147 0.000 2.495 275 c HA 0.705 5.274 4.570 -0.001 0.000 0.275 275 c C 1.335 175.546 174.090 0.202 0.000 1.392 275 c CA 0.403 56.858 56.329 0.211 0.000 1.766 275 c CB -1.144 41.450 42.510 0.139 0.000 1.933 275 c HN 0.892 nan 8.230 nan 0.000 0.519 276 G N -0.382 108.457 108.800 0.063 0.000 2.324 276 G HA2 0.377 4.336 3.960 -0.001 0.000 0.293 276 G HA3 0.377 4.336 3.960 -0.001 0.000 0.293 276 G C -2.758 171.735 174.900 -0.678 0.000 1.297 276 G CA 0.217 45.276 45.100 -0.067 0.000 0.853 276 G HN -0.102 nan 8.290 nan 0.000 0.535 277 P HA 0.108 nan 4.420 nan 0.000 0.231 277 P C -0.102 176.775 177.300 -0.704 0.000 1.168 277 P CA 0.950 63.360 63.100 -1.151 0.000 0.779 277 P CB 0.396 31.747 31.700 -0.581 0.000 0.844 278 D N 1.082 121.187 120.400 -0.492 0.000 2.443 278 D HA 0.133 4.773 4.640 -0.001 0.000 0.221 278 D C -1.464 174.495 176.300 -0.569 0.000 1.097 278 D CA -2.559 51.194 54.000 -0.412 0.000 0.865 278 D CB 1.272 41.913 40.800 -0.266 0.000 1.034 278 D HN 0.013 nan 8.370 nan 0.000 0.511 279 P HA -0.132 nan 4.420 nan 0.000 0.223 279 P C 1.221 177.703 177.300 -1.362 0.000 1.151 279 P CA 0.647 63.005 63.100 -1.237 0.000 0.787 279 P CB 0.498 31.191 31.700 -1.679 0.000 0.788 280 K N 0.326 120.065 120.400 -1.102 0.000 2.147 280 K HA -0.064 4.256 4.320 -0.001 0.000 0.205 280 K C 1.774 178.184 176.600 -0.316 0.000 1.049 280 K CA 1.084 57.019 56.287 -0.587 0.000 0.936 280 K CB -0.232 32.118 32.500 -0.251 0.000 0.722 280 K HN -0.072 nan 8.250 nan 0.000 0.446 281 V N 0.353 120.087 119.914 -0.300 0.000 2.379 281 V HA -0.228 3.891 4.120 -0.001 0.000 0.243 281 V C 2.398 178.453 176.094 -0.065 0.000 1.035 281 V CA 1.355 63.574 62.300 -0.136 0.000 1.035 281 V CB -0.314 31.443 31.823 -0.111 0.000 0.673 281 V HN 0.475 nan 8.190 nan 0.000 0.457 282 c N -0.654 117.831 118.600 -0.192 0.000 2.411 282 c HA -0.207 4.363 4.570 -0.001 0.000 0.279 282 c C 2.990 177.039 174.090 -0.068 0.000 1.288 282 c CA 0.865 57.139 56.329 -0.091 0.000 1.764 282 c CB -1.487 40.891 42.510 -0.221 0.000 1.974 282 c HN 0.763 nan 8.230 nan 0.000 0.498 283 c N 0.831 119.305 118.600 -0.210 0.000 2.419 283 c HA -0.143 4.426 4.570 -0.001 0.000 0.281 283 c C 2.610 176.587 174.090 -0.189 0.000 1.336 283 c CA 1.211 57.465 56.329 -0.126 0.000 1.770 283 c CB -1.470 41.039 42.510 -0.002 0.000 1.929 283 c HN 0.642 nan 8.230 nan 0.000 0.509 284 Q N -1.313 118.325 119.800 -0.272 0.000 2.500 284 Q HA -0.033 4.307 4.340 -0.001 0.000 0.213 284 Q C 0.689 176.019 176.000 -1.117 0.000 0.974 284 Q CA 1.068 56.525 55.803 -0.577 0.000 0.918 284 Q CB -0.037 28.352 28.738 -0.581 0.000 0.980 284 Q HN 0.753 nan 8.270 nan 0.000 0.505 285 F N -0.364 119.285 119.950 -0.502 0.000 2.698 285 F HA 0.172 4.698 4.527 -0.001 0.000 0.304 285 F C 0.182 175.701 175.800 -0.470 0.000 1.108 285 F CA -0.621 56.988 58.000 -0.652 0.000 1.263 285 F CB 0.797 39.658 39.000 -0.231 0.000 1.013 285 F HN -0.145 nan 8.300 nan 0.000 0.532 286 D N 0.103 120.278 120.400 -0.374 0.000 2.467 286 D HA 0.146 4.785 4.640 -0.001 0.000 0.220 286 D C 0.431 176.553 176.300 -0.296 0.000 1.103 286 D CA -0.355 53.542 54.000 -0.172 0.000 0.886 286 D CB 0.138 40.891 40.800 -0.078 0.000 1.025 286 D HN 0.100 nan 8.370 nan 0.000 0.514 287 F N 1.774 121.717 119.950 -0.010 0.000 2.802 287 F HA 0.116 4.642 4.527 -0.001 0.000 0.300 287 F C 2.326 178.062 175.800 -0.107 0.000 1.168 287 F CA 0.217 58.186 58.000 -0.052 0.000 1.433 287 F CB 0.143 39.134 39.000 -0.015 0.000 1.115 287 F HN 0.257 nan 8.300 nan 0.000 0.582 288 K N 0.713 121.035 120.400 -0.129 0.000 2.525 288 K HA 0.035 4.354 4.320 -0.001 0.000 0.192 288 K C 1.063 177.609 176.600 -0.091 0.000 1.029 288 K CA 0.304 56.379 56.287 -0.354 0.000 1.029 288 K CB 0.108 32.270 32.500 -0.562 0.000 0.814 288 K HN 0.209 nan 8.250 nan 0.000 0.503 289 R N 0.085 120.564 120.500 -0.035 0.000 2.586 289 R HA 0.194 4.533 4.340 -0.001 0.000 0.306 289 R C 0.829 177.153 176.300 0.039 0.000 1.079 289 R CA -0.149 55.957 56.100 0.010 0.000 1.083 289 R CB 0.236 30.520 30.300 -0.027 0.000 1.306 289 R HN 0.179 nan 8.270 nan 0.000 0.567 290 M N -1.177 118.483 119.600 0.100 0.000 2.428 290 M HA 0.199 4.678 4.480 -0.001 0.000 0.239 290 M C 1.121 177.462 176.300 0.068 0.000 1.121 290 M CA 0.608 55.950 55.300 0.070 0.000 1.019 290 M CB 1.030 33.681 32.600 0.084 0.000 1.485 290 M HN 0.472 nan 8.290 nan 0.000 0.484 291 G N 0.129 108.988 108.800 0.100 0.000 3.465 291 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.196 291 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.196 291 G C 0.998 175.916 174.900 0.029 0.000 1.170 291 G CA 0.252 45.385 45.100 0.054 0.000 0.887 291 G HN 0.403 nan 8.290 nan 0.000 0.444 292 S N 0.279 115.963 115.700 -0.026 0.000 2.474 292 S HA 0.177 4.646 4.470 -0.001 0.000 0.235 292 S C 1.779 176.215 174.600 -0.273 0.000 0.997 292 S CA 1.561 59.650 58.200 -0.185 0.000 0.949 292 S CB -0.453 62.557 63.200 -0.317 0.000 0.766 292 S HN 0.389 nan 8.310 nan 0.000 0.517 293 F N 1.814 121.760 119.950 -0.006 0.000 2.765 293 F HA 0.409 4.935 4.527 -0.001 0.000 0.302 293 F C 1.914 177.711 175.800 -0.005 0.000 1.111 293 F CA 0.094 58.089 58.000 -0.008 0.000 1.359 293 F CB -0.079 38.913 39.000 -0.013 0.000 1.097 293 F HN 0.378 nan 8.300 nan 0.000 0.577 294 G N 1.109 109.983 108.800 0.123 0.000 2.143 294 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.248 294 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.248 294 G C -0.094 174.855 174.900 0.081 0.000 0.991 294 G CA 0.082 45.230 45.100 0.079 0.000 0.689 294 G HN 0.306 nan 8.290 nan 0.000 0.522 295 L N 0.117 121.400 121.223 0.099 0.000 2.323 295 L HA 0.873 5.212 4.340 -0.001 0.000 0.265 295 L C 0.493 177.393 176.870 0.051 0.000 1.012 295 L CA -0.382 54.499 54.840 0.068 0.000 0.820 295 L CB 2.348 44.443 42.059 0.061 0.000 1.334 295 L HN 0.466 nan 8.230 nan 0.000 0.427 296 S N -0.771 114.947 115.700 0.030 0.000 2.688 296 S HA 0.529 4.999 4.470 -0.001 0.000 0.275 296 S C -1.304 173.308 174.600 0.020 0.000 1.175 296 S CA -0.804 57.406 58.200 0.017 0.000 0.818 296 S CB 1.601 64.802 63.200 0.002 0.000 1.157 296 S HN 0.524 nan 8.310 nan 0.000 0.482 297 c N 2.803 121.420 118.600 0.029 0.000 2.255 297 c HA 0.557 5.126 4.570 -0.001 0.000 0.326 297 c C -1.254 172.831 174.090 -0.009 0.000 1.258 297 c CA -1.126 55.260 56.329 0.095 0.000 1.676 297 c CB 0.722 43.320 42.510 0.147 0.000 2.314 297 c HN 0.760 nan 8.230 nan 0.000 0.509 298 P HA -0.091 nan 4.420 nan 0.000 0.222 298 P C 1.141 178.148 177.300 -0.489 0.000 1.147 298 P CA 1.300 64.111 63.100 -0.481 0.000 0.790 298 P CB 0.042 31.248 31.700 -0.823 0.000 0.780 299 W N 0.074 121.349 121.300 -0.042 0.000 3.180 299 W HA 0.178 4.837 4.660 -0.001 0.000 0.254 299 W C 0.582 177.072 176.519 -0.048 0.000 1.318 299 W CA 0.088 57.404 57.345 -0.048 0.000 1.608 299 W CB -0.521 28.901 29.460 -0.064 0.000 1.124 299 W HN 0.126 nan 8.180 nan 0.000 0.694 300 K N -0.998 119.455 120.400 0.089 0.000 3.467 300 K HA -0.175 4.144 4.320 -0.001 0.000 0.309 300 K C -0.374 176.247 176.600 0.035 0.000 1.350 300 K CA 0.510 56.817 56.287 0.033 0.000 0.934 300 K CB -1.978 30.528 32.500 0.011 0.000 1.312 300 K HN -0.102 nan 8.250 nan 0.000 0.461 301 V N 2.097 122.042 119.914 0.052 0.000 2.350 301 V HA 0.289 4.409 4.120 -0.001 0.000 0.285 301 V C -1.788 174.288 176.094 -0.030 0.000 1.014 301 V CA -1.514 60.787 62.300 0.002 0.000 0.831 301 V CB 1.270 33.086 31.823 -0.012 0.000 1.000 301 V HN -0.023 nan 8.190 nan 0.000 0.433 302 P HA 0.391 nan 4.420 nan 0.000 0.276 302 P C -2.803 174.403 177.300 -0.157 0.000 1.252 302 P CA -2.022 61.033 63.100 -0.075 0.000 0.802 302 P CB 0.130 31.800 31.700 -0.050 0.000 1.035 303 P HA 0.163 nan 4.420 nan 0.000 0.272 303 P C -0.390 176.804 177.300 -0.178 0.000 1.223 303 P CA 0.188 63.074 63.100 -0.356 0.000 0.784 303 P CB 0.466 31.893 31.700 -0.454 0.000 0.923 304 R N 0.512 120.916 120.500 -0.161 0.000 2.599 304 R HA 0.469 4.808 4.340 -0.001 0.000 0.295 304 R C -0.396 175.958 176.300 0.091 0.000 0.963 304 R CA -0.706 55.372 56.100 -0.036 0.000 0.883 304 R CB 0.332 30.591 30.300 -0.068 0.000 1.171 304 R HN 0.278 nan 8.270 nan 0.000 0.450 305 T N 3.755 118.354 114.554 0.075 0.000 2.905 305 T HA 0.036 4.385 4.350 -0.001 0.000 0.299 305 T C 0.861 175.545 174.700 -0.027 0.000 1.024 305 T CA 0.115 62.233 62.100 0.030 0.000 1.151 305 T CB 0.099 68.968 68.868 0.001 0.000 0.987 305 T HN 0.252 nan 8.240 nan 0.000 0.535 306 I N 4.064 124.570 120.570 -0.106 0.000 2.496 306 I HA 0.250 4.419 4.170 -0.001 0.000 0.285 306 I C 1.002 177.065 176.117 -0.089 0.000 1.080 306 I CA 0.055 61.292 61.300 -0.105 0.000 1.404 306 I CB 0.249 38.147 38.000 -0.170 0.000 1.403 306 I HN 0.767 nan 8.210 nan 0.000 0.539 307 S N 3.862 119.521 115.700 -0.068 0.000 2.697 307 S HA 0.449 4.919 4.470 -0.001 0.000 0.289 307 S C 0.342 174.909 174.600 -0.055 0.000 1.149 307 S CA -0.748 57.421 58.200 -0.053 0.000 0.850 307 S CB 2.138 65.314 63.200 -0.039 0.000 1.151 307 S HN 0.497 nan 8.310 nan 0.000 0.491 308 D N 0.565 120.942 120.400 -0.037 0.000 2.218 308 D HA -0.038 4.601 4.640 -0.001 0.000 0.204 308 D C 1.628 177.902 176.300 -0.043 0.000 0.976 308 D CA 1.341 55.321 54.000 -0.034 0.000 0.853 308 D CB -0.233 40.563 40.800 -0.007 0.000 0.939 308 D HN 0.514 nan 8.370 nan 0.000 0.481 309 Q N 0.274 120.052 119.800 -0.036 0.000 2.230 309 Q HA -0.056 4.284 4.340 -0.001 0.000 0.202 309 Q C 1.361 177.334 176.000 -0.044 0.000 0.963 309 Q CA 1.033 56.817 55.803 -0.032 0.000 0.866 309 Q CB -0.132 28.592 28.738 -0.022 0.000 0.931 309 Q HN 0.387 nan 8.270 nan 0.000 0.452 310 N N -1.655 117.010 118.700 -0.057 0.000 2.197 310 N HA -0.010 4.730 4.740 -0.001 0.000 0.201 310 N C 1.092 176.547 175.510 -0.091 0.000 1.148 310 N CA 0.171 53.186 53.050 -0.059 0.000 0.883 310 N CB -0.233 38.227 38.487 -0.045 0.000 1.012 310 N HN 0.055 nan 8.380 nan 0.000 0.507 311 V N 0.416 120.240 119.914 -0.150 0.000 2.515 311 V HA -0.034 4.086 4.120 -0.001 0.000 0.250 311 V C 2.221 178.089 176.094 -0.376 0.000 1.058 311 V CA 1.940 64.096 62.300 -0.240 0.000 1.064 311 V CB -0.834 30.824 31.823 -0.275 0.000 0.675 311 V HN 0.432 nan 8.190 nan 0.000 0.461 312 A N -0.124 122.452 122.820 -0.408 0.000 1.877 312 A HA -0.039 4.280 4.320 -0.001 0.000 0.216 312 A C 2.430 180.042 177.584 0.046 0.000 1.186 312 A CA 2.095 54.024 52.037 -0.180 0.000 0.620 312 A CB -1.001 18.000 19.000 0.002 0.000 0.822 312 A HN 0.787 nan 8.150 nan 0.000 0.443 313 A N -0.437 122.387 122.820 0.007 0.000 1.898 313 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 313 A C 2.236 179.850 177.584 0.050 0.000 1.181 313 A CA 1.377 53.438 52.037 0.040 0.000 0.620 313 A CB -0.440 18.567 19.000 0.012 0.000 0.819 313 A HN 0.423 nan 8.150 nan 0.000 0.442 314 R N 0.045 120.565 120.500 0.033 0.000 2.096 314 R HA -0.049 4.290 4.340 -0.001 0.000 0.235 314 R C 2.381 178.712 176.300 0.052 0.000 1.127 314 R CA 1.512 57.681 56.100 0.115 0.000 0.968 314 R CB -0.891 29.478 30.300 0.115 0.000 0.861 314 R HN 0.530 nan 8.270 nan 0.000 0.440 315 S N 1.293 116.977 115.700 -0.026 0.000 2.383 315 S HA -0.113 4.357 4.470 -0.001 0.000 0.227 315 S C 1.303 175.791 174.600 -0.187 0.000 1.026 315 S CA 1.170 59.267 58.200 -0.171 0.000 0.981 315 S CB -0.200 63.024 63.200 0.039 0.000 0.818 315 S HN 0.259 nan 8.310 nan 0.000 0.472 316 D N 1.715 122.185 120.400 0.116 0.000 2.126 316 D HA -0.130 4.509 4.640 -0.001 0.000 0.190 316 D C 1.901 178.200 176.300 -0.001 0.000 1.001 316 D CA 1.029 55.143 54.000 0.191 0.000 0.841 316 D CB -0.481 40.426 40.800 0.178 0.000 0.949 316 D HN 0.288 nan 8.370 nan 0.000 0.446 317 L N -0.127 121.067 121.223 -0.048 0.000 2.017 317 L HA -0.179 4.161 4.340 -0.001 0.000 0.208 317 L C 2.477 179.157 176.870 -0.317 0.000 1.073 317 L CA 0.608 55.392 54.840 -0.092 0.000 0.745 317 L CB -0.246 41.832 42.059 0.032 0.000 0.894 317 L HN 0.092 nan 8.230 nan 0.000 0.432 318 L N -0.886 119.974 121.223 -0.606 0.000 2.072 318 L HA -0.115 4.224 4.340 -0.001 0.000 0.205 318 L C 2.298 178.476 176.870 -1.153 0.000 1.079 318 L CA 1.493 55.647 54.840 -1.143 0.000 0.752 318 L CB -0.305 40.785 42.059 -1.615 0.000 0.906 318 L HN -0.085 nan 8.230 nan 0.000 0.436 319 V N -0.049 119.328 119.914 -0.895 0.000 2.407 319 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 319 V C 2.296 178.221 176.094 -0.281 0.000 1.055 319 V CA 1.929 63.859 62.300 -0.616 0.000 1.049 319 V CB -0.759 30.704 31.823 -0.600 0.000 0.662 319 V HN 0.583 nan 8.190 nan 0.000 0.455 320 D N -0.839 119.457 120.400 -0.173 0.000 2.117 320 D HA -0.201 4.439 4.640 -0.001 0.000 0.197 320 D C 2.228 178.504 176.300 -0.040 0.000 0.987 320 D CA 1.086 55.094 54.000 0.014 0.000 0.829 320 D CB -0.002 40.862 40.800 0.107 0.000 0.961 320 D HN 0.290 nan 8.370 nan 0.000 0.460 321 Q N -0.428 119.278 119.800 -0.157 0.000 2.061 321 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 321 Q C 2.124 178.142 176.000 0.030 0.000 0.984 321 Q CA 1.039 56.773 55.803 -0.115 0.000 0.846 321 Q CB -0.631 27.973 28.738 -0.222 0.000 0.902 321 Q HN 0.552 nan 8.270 nan 0.000 0.421 322 W N 1.449 122.642 121.300 -0.178 0.000 2.338 322 W HA -0.113 4.546 4.660 -0.001 0.000 0.304 322 W C 2.121 178.523 176.519 -0.195 0.000 1.212 322 W CA 0.792 58.032 57.345 -0.176 0.000 1.264 322 W CB -0.690 28.638 29.460 -0.221 0.000 1.142 322 W HN 0.219 nan 8.180 nan 0.000 0.512 323 K N 0.108 120.466 120.400 -0.071 0.000 2.148 323 K HA -0.132 4.188 4.320 -0.001 0.000 0.204 323 K C 1.951 178.412 176.600 -0.233 0.000 1.050 323 K CA 1.198 57.289 56.287 -0.328 0.000 0.942 323 K CB -0.202 31.761 32.500 -0.896 0.000 0.724 323 K HN 0.076 nan 8.250 nan 0.000 0.446 324 K N 0.967 121.323 120.400 -0.074 0.000 2.025 324 K HA -0.147 4.173 4.320 -0.001 0.000 0.207 324 K C 2.096 178.767 176.600 0.118 0.000 1.049 324 K CA 1.173 57.534 56.287 0.123 0.000 0.933 324 K CB -0.010 32.571 32.500 0.135 0.000 0.714 324 K HN 0.014 nan 8.250 nan 0.000 0.438 325 K N 0.883 121.357 120.400 0.123 0.000 2.063 325 K HA -0.147 4.173 4.320 -0.001 0.000 0.208 325 K C 2.052 178.773 176.600 0.200 0.000 1.048 325 K CA 1.324 57.708 56.287 0.162 0.000 0.928 325 K CB -0.117 32.498 32.500 0.191 0.000 0.713 325 K HN 0.145 nan 8.250 nan 0.000 0.442 326 A N 1.196 124.116 122.820 0.167 0.000 2.019 326 A HA -0.150 4.169 4.320 -0.001 0.000 0.219 326 A C 1.749 179.499 177.584 0.276 0.000 1.164 326 A CA 1.392 53.564 52.037 0.225 0.000 0.644 326 A CB -0.352 18.742 19.000 0.157 0.000 0.805 326 A HN 0.312 nan 8.150 nan 0.000 0.449 327 E N 0.024 120.364 120.200 0.234 0.000 2.265 327 E HA -0.096 4.253 4.350 -0.001 0.000 0.196 327 E C 1.629 178.354 176.600 0.207 0.000 0.996 327 E CA 0.672 57.219 56.400 0.244 0.000 0.832 327 E CB -0.256 29.613 29.700 0.282 0.000 0.756 327 E HN 0.726 nan 8.360 nan 0.000 0.491 328 L N -0.628 120.676 121.223 0.135 0.000 2.599 328 L HA 0.030 4.370 4.340 -0.001 0.000 0.230 328 L C 0.174 176.838 176.870 -0.344 0.000 1.141 328 L CA 0.272 55.059 54.840 -0.089 0.000 0.877 328 L CB -0.088 41.799 42.059 -0.288 0.000 1.009 328 L HN 0.003 nan 8.230 nan 0.000 0.447 329 Y N -1.737 118.644 120.300 0.133 0.000 2.602 329 Y HA 0.375 4.925 4.550 -0.001 0.000 0.342 329 Y C 1.064 177.074 175.900 0.184 0.000 1.029 329 Y CA -0.970 57.228 58.100 0.163 0.000 1.080 329 Y CB 1.305 39.871 38.460 0.178 0.000 1.284 329 Y HN -0.284 nan 8.280 nan 0.000 0.485 330 R N -0.463 120.267 120.500 0.384 0.000 2.290 330 R HA 0.092 4.431 4.340 -0.001 0.000 0.197 330 R C 0.266 176.689 176.300 0.206 0.000 0.913 330 R CA 0.665 56.901 56.100 0.228 0.000 1.040 330 R CB 0.313 30.684 30.300 0.119 0.000 0.992 330 R HN 0.751 nan 8.270 nan 0.000 0.500 331 T N -0.939 113.780 114.554 0.275 0.000 2.937 331 T HA 0.110 4.459 4.350 -0.001 0.000 0.283 331 T C 0.595 175.428 174.700 0.220 0.000 1.012 331 T CA -0.971 61.259 62.100 0.216 0.000 0.997 331 T CB 1.270 70.249 68.868 0.185 0.000 1.136 331 T HN 0.067 nan 8.240 nan 0.000 0.551 332 N N 0.193 118.996 118.700 0.171 0.000 2.346 332 N HA 0.139 4.878 4.740 -0.001 0.000 0.225 332 N C -0.732 174.782 175.510 0.008 0.000 1.144 332 N CA -0.374 52.739 53.050 0.105 0.000 0.837 332 N CB -0.208 38.218 38.487 -0.102 0.000 1.069 332 N HN 0.389 nan 8.380 nan 0.000 0.487 333 V N 1.134 121.078 119.914 0.050 0.000 2.407 333 V HA 0.415 4.535 4.120 -0.001 0.000 0.291 333 V C -0.708 175.483 176.094 0.161 0.000 1.018 333 V CA -0.959 61.377 62.300 0.059 0.000 0.842 333 V CB 1.513 33.347 31.823 0.018 0.000 0.996 333 V HN 0.168 nan 8.190 nan 0.000 0.426 334 L N 5.623 126.885 121.223 0.065 0.000 2.341 334 L HA 0.710 5.049 4.340 -0.001 0.000 0.278 334 L C -0.886 175.853 176.870 -0.218 0.000 1.005 334 L CA -0.541 54.250 54.840 -0.081 0.000 0.818 334 L CB 1.722 43.632 42.059 -0.249 0.000 1.259 334 L HN 0.634 nan 8.230 nan 0.000 0.418 335 L N 6.299 127.178 121.223 -0.574 0.000 2.264 335 L HA 0.550 4.889 4.340 -0.001 0.000 0.289 335 L C -1.004 175.582 176.870 -0.474 0.000 1.044 335 L CA 0.126 54.476 54.840 -0.816 0.000 0.807 335 L CB 0.740 41.852 42.059 -1.577 0.000 1.192 335 L HN 0.428 nan 8.230 nan 0.000 0.425 336 I N 7.456 127.827 120.570 -0.331 0.000 2.502 336 I HA 0.336 4.505 4.170 -0.001 0.000 0.276 336 I C -2.268 173.828 176.117 -0.035 0.000 1.057 336 I CA -2.016 59.182 61.300 -0.170 0.000 1.163 336 I CB 0.932 38.802 38.000 -0.218 0.000 1.288 336 I HN 0.416 nan 8.210 nan 0.000 0.479 337 P HA 0.128 nan 4.420 nan 0.000 0.267 337 P C -0.423 177.051 177.300 0.291 0.000 1.200 337 P CA -0.190 63.042 63.100 0.220 0.000 0.772 337 P CB 0.813 32.678 31.700 0.276 0.000 0.855 338 L N 2.824 124.261 121.223 0.357 0.000 2.454 338 L HA 0.751 5.091 4.340 -0.001 0.000 0.258 338 L C -0.115 176.832 176.870 0.128 0.000 1.025 338 L CA 0.399 55.374 54.840 0.225 0.000 0.901 338 L CB 0.471 42.598 42.059 0.113 0.000 1.210 338 L HN 0.616 nan 8.230 nan 0.000 0.457 339 G N 1.614 110.374 108.800 -0.067 0.000 2.342 339 G HA2 0.473 4.433 3.960 -0.001 0.000 0.297 339 G HA3 0.473 4.433 3.960 -0.001 0.000 0.297 339 G C -2.229 172.564 174.900 -0.178 0.000 1.313 339 G CA -0.263 44.560 45.100 -0.462 0.000 0.830 339 G HN 0.381 nan 8.290 nan 0.000 0.506 340 D N -1.697 118.654 120.400 -0.082 0.000 2.809 340 D HA 0.318 4.958 4.640 -0.001 0.000 0.336 340 D C -1.512 174.925 176.300 0.230 0.000 1.367 340 D CA -0.452 53.680 54.000 0.220 0.000 0.815 340 D CB 1.509 42.397 40.800 0.147 0.000 1.381 340 D HN 0.224 nan 8.370 nan 0.000 0.471 341 D N 0.411 121.011 120.400 0.333 0.000 2.450 341 D HA 0.205 4.845 4.640 -0.001 0.000 0.247 341 D C 0.227 176.704 176.300 0.295 0.000 1.162 341 D CA 0.545 54.736 54.000 0.318 0.000 0.879 341 D CB -0.286 40.801 40.800 0.479 0.000 1.163 341 D HN 0.361 nan 8.370 nan 0.000 0.472 342 F N 0.192 120.207 119.950 0.109 0.000 3.079 342 F HA -0.315 4.212 4.527 -0.001 0.000 0.274 342 F C 1.140 176.983 175.800 0.071 0.000 0.940 342 F CA 0.563 58.605 58.000 0.070 0.000 0.932 342 F CB -0.833 38.200 39.000 0.054 0.000 0.891 342 F HN 0.216 nan 8.300 nan 0.000 0.722 343 R N -0.359 120.228 120.500 0.146 0.000 2.649 343 R HA 0.452 4.791 4.340 -0.001 0.000 0.270 343 R C 0.725 177.065 176.300 0.067 0.000 1.105 343 R CA -0.675 55.403 56.100 -0.038 0.000 1.193 343 R CB -0.066 30.101 30.300 -0.221 0.000 1.120 343 R HN 0.259 nan 8.270 nan 0.000 0.561 344 F N -0.697 119.101 119.950 -0.253 0.000 3.040 344 F HA -0.289 4.237 4.527 -0.001 0.000 0.298 344 F C 1.359 177.130 175.800 -0.047 0.000 0.948 344 F CA 0.951 58.607 58.000 -0.573 0.000 1.022 344 F CB -0.884 37.518 39.000 -0.997 0.000 1.023 344 F HN 0.599 nan 8.300 nan 0.000 0.742 345 K N 0.067 120.534 120.400 0.111 0.000 2.054 345 K HA 0.043 4.363 4.320 -0.001 0.000 0.207 345 K C 0.711 177.476 176.600 0.274 0.000 1.031 345 K CA 0.775 57.204 56.287 0.237 0.000 0.952 345 K CB 0.172 32.776 32.500 0.174 0.000 0.775 345 K HN 0.300 nan 8.250 nan 0.000 0.447 346 Q N 1.249 121.173 119.800 0.207 0.000 2.340 346 Q HA 0.113 4.452 4.340 -0.001 0.000 0.249 346 Q C 0.591 176.781 176.000 0.318 0.000 0.957 346 Q CA -0.159 55.786 55.803 0.237 0.000 0.882 346 Q CB 1.005 29.903 28.738 0.267 0.000 1.235 346 Q HN 0.245 nan 8.270 nan 0.000 0.439 347 N N 0.585 119.462 118.700 0.294 0.000 2.149 347 N HA -0.163 4.576 4.740 -0.001 0.000 0.188 347 N C 1.442 177.107 175.510 0.258 0.000 1.019 347 N CA 1.941 55.186 53.050 0.325 0.000 0.857 347 N CB -0.275 38.427 38.487 0.358 0.000 0.997 347 N HN 0.773 nan 8.380 nan 0.000 0.426 348 T N -1.098 113.610 114.554 0.256 0.000 2.881 348 T HA -0.109 4.240 4.350 -0.001 0.000 0.270 348 T C 1.699 176.594 174.700 0.324 0.000 1.068 348 T CA 1.058 63.325 62.100 0.277 0.000 1.131 348 T CB -0.050 68.965 68.868 0.246 0.000 0.871 348 T HN 0.325 nan 8.240 nan 0.000 0.479 349 E N -0.249 120.094 120.200 0.239 0.000 2.072 349 E HA -0.083 4.266 4.350 -0.001 0.000 0.190 349 E C 1.799 178.317 176.600 -0.136 0.000 0.982 349 E CA 0.629 56.956 56.400 -0.120 0.000 0.803 349 E CB -0.237 29.242 29.700 -0.368 0.000 0.755 349 E HN 0.695 nan 8.360 nan 0.000 0.453 350 W N 1.887 123.101 121.300 -0.143 0.000 2.318 350 W HA -0.210 4.449 4.660 -0.001 0.000 0.313 350 W C 2.127 178.591 176.519 -0.093 0.000 1.221 350 W CA 1.386 58.623 57.345 -0.179 0.000 1.266 350 W CB -0.315 28.671 29.460 -0.789 0.000 1.150 350 W HN 0.188 nan 8.180 nan 0.000 0.496 351 D N -0.617 119.885 120.400 0.169 0.000 2.117 351 D HA -0.167 4.472 4.640 -0.001 0.000 0.197 351 D C 2.273 178.646 176.300 0.122 0.000 0.987 351 D CA 1.443 55.546 54.000 0.171 0.000 0.829 351 D CB -0.976 39.932 40.800 0.179 0.000 0.961 351 D HN 0.034 nan 8.370 nan 0.000 0.460 352 V N 0.940 120.919 119.914 0.109 0.000 2.515 352 V HA -0.195 3.924 4.120 -0.001 0.000 0.250 352 V C 2.201 178.321 176.094 0.042 0.000 1.058 352 V CA 1.503 63.847 62.300 0.073 0.000 1.064 352 V CB -0.047 31.866 31.823 0.149 0.000 0.675 352 V HN 0.140 nan 8.190 nan 0.000 0.461 353 Q N -0.306 119.559 119.800 0.109 0.000 2.049 353 Q HA -0.172 4.167 4.340 -0.001 0.000 0.198 353 Q C 2.343 178.531 176.000 0.315 0.000 0.971 353 Q CA 1.792 57.754 55.803 0.265 0.000 0.833 353 Q CB -0.461 28.414 28.738 0.228 0.000 0.896 353 Q HN 0.605 nan 8.270 nan 0.000 0.434 354 R N 0.496 121.148 120.500 0.255 0.000 2.073 354 R HA -0.102 4.237 4.340 -0.001 0.000 0.234 354 R C 2.218 178.668 176.300 0.249 0.000 1.134 354 R CA 1.372 57.663 56.100 0.318 0.000 0.952 354 R CB -0.057 30.384 30.300 0.236 0.000 0.850 354 R HN 0.061 nan 8.270 nan 0.000 0.433 355 V N 1.918 121.896 119.914 0.106 0.000 2.427 355 V HA -0.217 3.902 4.120 -0.001 0.000 0.248 355 V C 1.997 178.024 176.094 -0.111 0.000 1.051 355 V CA 1.776 64.091 62.300 0.024 0.000 1.048 355 V CB -0.591 31.236 31.823 0.008 0.000 0.666 355 V HN 0.431 nan 8.190 nan 0.000 0.456 356 N N -0.619 117.908 118.700 -0.289 0.000 2.106 356 N HA -0.151 4.588 4.740 -0.001 0.000 0.188 356 N C 1.880 177.076 175.510 -0.523 0.000 1.029 356 N CA 1.594 54.264 53.050 -0.633 0.000 0.848 356 N CB -0.307 37.215 38.487 -1.609 0.000 1.007 356 N HN 0.509 nan 8.380 nan 0.000 0.423 357 Y N 2.012 122.112 120.300 -0.334 0.000 2.224 357 Y HA -0.095 4.455 4.550 -0.001 0.000 0.289 357 Y C 2.385 177.803 175.900 -0.803 0.000 1.146 357 Y CA 1.082 58.861 58.100 -0.535 0.000 1.182 357 Y CB -0.144 38.073 38.460 -0.404 0.000 0.983 357 Y HN 0.136 nan 8.280 nan 0.000 0.524 358 E N -0.189 119.886 120.200 -0.208 0.000 2.118 358 E HA -0.238 4.111 4.350 -0.001 0.000 0.195 358 E C 2.200 178.754 176.600 -0.078 0.000 0.992 358 E CA 1.182 57.536 56.400 -0.076 0.000 0.804 358 E CB -0.140 29.626 29.700 0.110 0.000 0.741 358 E HN 0.486 nan 8.360 nan 0.000 0.458 359 R N 0.334 120.763 120.500 -0.118 0.000 2.075 359 R HA -0.100 4.239 4.340 -0.001 0.000 0.232 359 R C 2.484 178.750 176.300 -0.058 0.000 1.126 359 R CA 0.916 56.973 56.100 -0.071 0.000 0.963 359 R CB -0.337 29.899 30.300 -0.106 0.000 0.858 359 R HN 0.164 nan 8.270 nan 0.000 0.435 360 L N -0.288 120.830 121.223 -0.175 0.000 2.017 360 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 360 L C 2.290 179.192 176.870 0.052 0.000 1.073 360 L CA 1.541 56.312 54.840 -0.115 0.000 0.745 360 L CB -0.462 41.440 42.059 -0.262 0.000 0.894 360 L HN 0.149 nan 8.230 nan 0.000 0.432 361 F N -0.078 119.880 119.950 0.014 0.000 2.134 361 F HA -0.241 4.286 4.527 -0.001 0.000 0.299 361 F C 2.706 178.507 175.800 0.002 0.000 1.097 361 F CA 0.966 58.962 58.000 -0.007 0.000 1.264 361 F CB -0.213 38.743 39.000 -0.073 0.000 1.001 361 F HN 0.176 nan 8.300 nan 0.000 0.479 362 E N 0.052 120.372 120.200 0.200 0.000 2.058 362 E HA -0.317 4.032 4.350 -0.001 0.000 0.194 362 E C 1.983 178.661 176.600 0.130 0.000 0.997 362 E CA 1.657 58.137 56.400 0.135 0.000 0.801 362 E CB -0.189 29.576 29.700 0.109 0.000 0.746 362 E HN 0.467 nan 8.360 nan 0.000 0.450 363 H N 0.206 119.317 119.070 0.069 0.000 2.293 363 H HA -0.071 4.484 4.556 -0.001 0.000 0.300 363 H C 2.071 177.477 175.328 0.131 0.000 1.082 363 H CA 2.264 58.366 56.048 0.090 0.000 1.308 363 H CB -0.206 29.605 29.762 0.081 0.000 1.375 363 H HN 0.156 nan 8.280 nan 0.000 0.495 364 I N 0.411 121.045 120.570 0.106 0.000 2.163 364 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 364 I C 1.705 177.839 176.117 0.028 0.000 1.085 364 I CA 1.477 62.775 61.300 -0.002 0.000 1.347 364 I CB -0.310 37.611 38.000 -0.132 0.000 1.044 364 I HN 0.369 nan 8.210 nan 0.000 0.408 365 N N 0.215 118.925 118.700 0.016 0.000 2.396 365 N HA -0.096 4.643 4.740 -0.001 0.000 0.180 365 N C 1.828 177.317 175.510 -0.035 0.000 1.028 365 N CA 1.422 54.460 53.050 -0.021 0.000 0.893 365 N CB -0.198 38.271 38.487 -0.031 0.000 0.967 365 N HN 0.403 nan 8.380 nan 0.000 0.440 366 S N -1.012 114.660 115.700 -0.046 0.000 2.535 366 S HA 0.149 4.618 4.470 -0.001 0.000 0.214 366 S C 0.522 175.060 174.600 -0.104 0.000 0.980 366 S CA -0.153 58.011 58.200 -0.060 0.000 0.907 366 S CB 0.304 63.480 63.200 -0.041 0.000 0.790 366 S HN -0.028 nan 8.310 nan 0.000 0.510 367 Q N 1.170 120.876 119.800 -0.156 0.000 2.430 367 Q HA 0.557 4.897 4.340 -0.001 0.000 0.245 367 Q C 0.791 176.613 176.000 -0.296 0.000 1.021 367 Q CA 0.064 55.709 55.803 -0.262 0.000 0.867 367 Q CB 1.379 29.840 28.738 -0.462 0.000 1.210 367 Q HN 0.423 nan 8.270 nan 0.000 0.487 368 A N 2.772 125.498 122.820 -0.156 0.000 1.972 368 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 368 A C 1.571 179.083 177.584 -0.119 0.000 1.169 368 A CA 2.001 53.977 52.037 -0.102 0.000 0.635 368 A CB -0.662 18.311 19.000 -0.045 0.000 0.810 368 A HN 0.880 nan 8.150 nan 0.000 0.446 369 H N -3.031 115.954 119.070 -0.142 0.000 2.489 369 H HA -0.031 4.524 4.556 -0.001 0.000 0.293 369 H C 1.474 176.741 175.328 -0.102 0.000 1.066 369 H CA 1.583 57.538 56.048 -0.154 0.000 1.305 369 H CB -0.766 28.845 29.762 -0.251 0.000 1.386 369 H HN 0.507 nan 8.280 nan 0.000 0.551 370 F N 0.821 120.529 119.950 -0.404 0.000 2.367 370 F HA -0.020 4.506 4.527 -0.001 0.000 0.298 370 F C 0.653 176.397 175.800 -0.094 0.000 1.094 370 F CA 0.323 58.206 58.000 -0.194 0.000 1.409 370 F CB -0.021 38.823 39.000 -0.260 0.000 1.064 370 F HN 0.117 nan 8.300 nan 0.000 0.528 371 N N 0.867 119.610 118.700 0.071 0.000 2.725 371 N HA -0.167 4.572 4.740 -0.001 0.000 0.251 371 N C -1.140 174.339 175.510 -0.052 0.000 1.031 371 N CA 0.407 53.474 53.050 0.029 0.000 0.720 371 N CB -1.486 37.066 38.487 0.108 0.000 0.930 371 N HN 0.038 nan 8.380 nan 0.000 0.543 372 V N 0.595 120.475 119.914 -0.056 0.000 2.656 372 V HA 0.394 4.514 4.120 -0.001 0.000 0.307 372 V C 0.137 176.147 176.094 -0.139 0.000 1.051 372 V CA -0.680 61.540 62.300 -0.133 0.000 0.893 372 V CB 2.465 34.233 31.823 -0.091 0.000 0.999 372 V HN 0.182 nan 8.190 nan 0.000 0.426 373 Q N 3.088 122.755 119.800 -0.222 0.000 2.339 373 Q HA 0.762 5.101 4.340 -0.001 0.000 0.268 373 Q C -0.809 174.946 176.000 -0.409 0.000 1.027 373 Q CA -0.119 55.528 55.803 -0.260 0.000 0.759 373 Q CB 1.649 30.239 28.738 -0.246 0.000 1.244 373 Q HN 1.004 nan 8.270 nan 0.000 0.464 374 A N 4.273 126.836 122.820 -0.429 0.000 2.350 374 A HA 0.914 5.234 4.320 -0.001 0.000 0.324 374 A C -1.273 175.653 177.584 -1.096 0.000 1.118 374 A CA -0.538 51.085 52.037 -0.690 0.000 0.783 374 A CB 1.325 20.103 19.000 -0.371 0.000 1.236 374 A HN 0.761 nan 8.150 nan 0.000 0.457 375 Q N 1.206 120.252 119.800 -1.255 0.000 2.575 375 Q HA 0.423 4.763 4.340 -0.001 0.000 0.290 375 Q C -1.539 174.019 176.000 -0.737 0.000 0.963 375 Q CA -0.623 54.472 55.803 -1.179 0.000 0.783 375 Q CB 0.682 29.092 28.738 -0.548 0.000 1.467 375 Q HN 0.489 nan 8.270 nan 0.000 0.402 376 F N 0.387 120.218 119.950 -0.198 0.000 2.518 376 F HA 0.570 5.096 4.527 -0.001 0.000 0.359 376 F C 1.283 177.115 175.800 0.053 0.000 1.118 376 F CA 1.209 59.229 58.000 0.033 0.000 1.287 376 F CB 0.996 40.075 39.000 0.132 0.000 1.132 376 F HN 0.753 nan 8.300 nan 0.000 0.587 377 G N 0.570 109.543 108.800 0.288 0.000 2.727 377 G HA2 0.584 4.544 3.960 -0.001 0.000 0.289 377 G HA3 0.584 4.544 3.960 -0.001 0.000 0.289 377 G C -1.173 173.732 174.900 0.007 0.000 1.418 377 G CA -0.716 44.500 45.100 0.194 0.000 0.818 377 G HN 0.664 nan 8.290 nan 0.000 0.486 378 T N -1.895 112.589 114.554 -0.116 0.000 2.937 378 T HA 0.478 4.827 4.350 -0.001 0.000 0.283 378 T C 1.284 175.832 174.700 -0.254 0.000 1.012 378 T CA -0.467 61.522 62.100 -0.185 0.000 0.997 378 T CB 1.515 70.288 68.868 -0.159 0.000 1.136 378 T HN 0.536 nan 8.240 nan 0.000 0.551 379 L N 0.564 121.635 121.223 -0.253 0.000 2.017 379 L HA 0.023 4.363 4.340 -0.001 0.000 0.208 379 L C 2.789 179.615 176.870 -0.074 0.000 1.073 379 L CA 2.007 56.725 54.840 -0.204 0.000 0.745 379 L CB -1.167 40.806 42.059 -0.143 0.000 0.894 379 L HN 0.900 nan 8.230 nan 0.000 0.432 380 Q N -0.109 119.678 119.800 -0.022 0.000 2.124 380 Q HA -0.224 4.116 4.340 -0.001 0.000 0.202 380 Q C 2.070 178.008 176.000 -0.104 0.000 0.977 380 Q CA 1.947 57.771 55.803 0.034 0.000 0.850 380 Q CB -0.167 28.566 28.738 -0.010 0.000 0.901 380 Q HN 0.629 nan 8.270 nan 0.000 0.429 381 E N -1.169 118.878 120.200 -0.255 0.000 2.077 381 E HA -0.231 4.118 4.350 -0.001 0.000 0.193 381 E C 1.707 177.861 176.600 -0.744 0.000 0.989 381 E CA 1.228 57.351 56.400 -0.461 0.000 0.800 381 E CB -0.331 29.043 29.700 -0.543 0.000 0.746 381 E HN 0.485 nan 8.360 nan 0.000 0.452 382 Y N 0.640 120.400 120.300 -0.901 0.000 2.097 382 Y HA -0.274 4.275 4.550 -0.001 0.000 0.282 382 Y C 1.896 177.504 175.900 -0.488 0.000 1.152 382 Y CA 1.752 59.358 58.100 -0.823 0.000 1.136 382 Y CB -0.648 37.364 38.460 -0.745 0.000 0.975 382 Y HN -0.037 nan 8.280 nan 0.000 0.498 383 F N 0.578 120.270 119.950 -0.430 0.000 2.134 383 F HA -0.236 4.290 4.527 -0.001 0.000 0.299 383 F C 2.244 177.826 175.800 -0.363 0.000 1.097 383 F CA 1.276 59.009 58.000 -0.444 0.000 1.264 383 F CB -0.340 38.589 39.000 -0.120 0.000 1.001 383 F HN 0.096 nan 8.300 nan 0.000 0.479 384 D N 0.358 120.714 120.400 -0.073 0.000 2.123 384 D HA -0.178 4.461 4.640 -0.001 0.000 0.196 384 D C 2.282 178.511 176.300 -0.119 0.000 0.992 384 D CA 1.450 55.414 54.000 -0.061 0.000 0.833 384 D CB -0.549 40.203 40.800 -0.080 0.000 0.954 384 D HN 0.264 nan 8.370 nan 0.000 0.455 385 A N 0.506 123.196 122.820 -0.216 0.000 1.930 385 A HA -0.093 4.226 4.320 -0.001 0.000 0.217 385 A C 2.533 179.998 177.584 -0.197 0.000 1.175 385 A CA 0.909 52.861 52.037 -0.143 0.000 0.627 385 A CB -0.642 18.340 19.000 -0.030 0.000 0.815 385 A HN 0.130 nan 8.150 nan 0.000 0.443 386 V N -0.034 119.628 119.914 -0.420 0.000 2.287 386 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 386 V C 2.419 178.329 176.094 -0.305 0.000 1.053 386 V CA 2.178 64.224 62.300 -0.424 0.000 1.027 386 V CB -1.027 30.372 31.823 -0.706 0.000 0.646 386 V HN 0.657 nan 8.190 nan 0.000 0.447 387 H N -0.328 118.630 119.070 -0.188 0.000 2.462 387 H HA -0.068 4.487 4.556 -0.001 0.000 0.292 387 H C 2.409 177.702 175.328 -0.058 0.000 1.049 387 H CA 1.297 57.264 56.048 -0.135 0.000 1.334 387 H CB -0.042 29.600 29.762 -0.200 0.000 1.404 387 H HN 0.560 nan 8.280 nan 0.000 0.544 388 Q N 0.315 120.136 119.800 0.034 0.000 2.079 388 Q HA -0.049 4.290 4.340 -0.001 0.000 0.200 388 Q C 2.573 178.593 176.000 0.033 0.000 0.974 388 Q CA 1.253 57.072 55.803 0.026 0.000 0.840 388 Q CB 0.014 28.756 28.738 0.007 0.000 0.898 388 Q HN 0.397 nan 8.270 nan 0.000 0.430 389 A N 1.151 123.987 122.820 0.027 0.000 1.877 389 A HA -0.277 4.043 4.320 -0.001 0.000 0.216 389 A C 1.960 179.578 177.584 0.057 0.000 1.186 389 A CA 1.676 53.742 52.037 0.048 0.000 0.620 389 A CB -0.599 18.434 19.000 0.055 0.000 0.822 389 A HN 0.447 nan 8.150 nan 0.000 0.443 390 E N -0.265 119.986 120.200 0.085 0.000 2.058 390 E HA -0.234 4.115 4.350 -0.001 0.000 0.194 390 E C 2.241 178.883 176.600 0.070 0.000 0.997 390 E CA 1.245 57.703 56.400 0.097 0.000 0.801 390 E CB -0.146 29.714 29.700 0.268 0.000 0.746 390 E HN 0.576 nan 8.360 nan 0.000 0.450 391 R N -0.331 120.212 120.500 0.072 0.000 2.152 391 R HA -0.062 4.278 4.340 -0.001 0.000 0.232 391 R C 2.069 178.388 176.300 0.032 0.000 1.117 391 R CA 0.875 57.002 56.100 0.046 0.000 0.981 391 R CB -0.132 30.190 30.300 0.037 0.000 0.870 391 R HN 0.135 nan 8.270 nan 0.000 0.451 392 A N 0.036 122.876 122.820 0.033 0.000 2.238 392 A HA 0.204 4.524 4.320 -0.001 0.000 0.208 392 A C 1.293 178.889 177.584 0.021 0.000 1.177 392 A CA 0.770 52.824 52.037 0.028 0.000 0.804 392 A CB -0.015 19.008 19.000 0.037 0.000 0.823 392 A HN 0.440 nan 8.150 nan 0.000 0.482 393 G N -0.489 108.320 108.800 0.015 0.000 2.131 393 G HA2 -0.326 3.633 3.960 -0.001 0.000 0.223 393 G HA3 -0.326 3.633 3.960 -0.001 0.000 0.223 393 G C 0.735 175.628 174.900 -0.011 0.000 0.990 393 G CA 0.639 45.739 45.100 -0.000 0.000 0.671 393 G HN 0.903 nan 8.290 nan 0.000 0.521 394 Q N -0.414 119.385 119.800 -0.001 0.000 2.408 394 Q HA 0.655 4.995 4.340 -0.001 0.000 0.205 394 Q C 0.870 176.845 176.000 -0.042 0.000 0.919 394 Q CA 1.278 57.083 55.803 0.003 0.000 0.932 394 Q CB 0.356 29.133 28.738 0.065 0.000 1.058 394 Q HN 1.605 nan 8.270 nan 0.000 0.517 395 A N 1.037 123.789 122.820 -0.114 0.000 2.594 395 A HA 0.520 4.840 4.320 -0.001 0.000 0.295 395 A C -1.751 175.608 177.584 -0.375 0.000 1.071 395 A CA -0.778 51.093 52.037 -0.276 0.000 0.685 395 A CB 1.533 20.290 19.000 -0.405 0.000 1.285 395 A HN 0.377 nan 8.150 nan 0.000 0.405 396 E N 1.278 121.235 120.200 -0.406 0.000 2.248 396 E HA 0.711 5.060 4.350 -0.001 0.000 0.267 396 E C -1.831 174.560 176.600 -0.348 0.000 0.877 396 E CA -0.485 55.742 56.400 -0.288 0.000 0.759 396 E CB 1.331 30.978 29.700 -0.087 0.000 1.182 396 E HN 0.417 nan 8.360 nan 0.000 0.418 397 F N 3.104 123.155 119.950 0.169 0.000 2.425 397 F HA 0.453 4.980 4.527 -0.000 0.000 0.331 397 F C -1.673 174.224 175.800 0.162 0.000 1.085 397 F CA -2.065 56.057 58.000 0.203 0.000 1.028 397 F CB 1.457 40.655 39.000 0.329 0.000 1.177 397 F HN 0.395 nan 8.300 nan 0.000 0.487 398 P HA 0.150 nan 4.420 nan 0.000 0.274 398 P C -0.737 176.701 177.300 0.231 0.000 1.237 398 P CA -0.388 62.840 63.100 0.214 0.000 0.793 398 P CB 1.039 32.833 31.700 0.156 0.000 0.977 399 T N -0.529 114.113 114.554 0.146 0.000 2.907 399 T HA 0.664 5.014 4.350 -0.001 0.000 0.284 399 T C -0.280 174.448 174.700 0.047 0.000 1.004 399 T CA -0.784 61.394 62.100 0.129 0.000 1.063 399 T CB 0.989 69.912 68.868 0.092 0.000 0.992 399 T HN 0.449 nan 8.240 nan 0.000 0.483 400 L N 1.928 123.179 121.223 0.045 0.000 2.445 400 L HA 0.730 5.069 4.340 -0.001 0.000 0.262 400 L C -0.653 176.211 176.870 -0.009 0.000 0.974 400 L CA -0.442 54.318 54.840 -0.134 0.000 0.822 400 L CB 2.207 43.942 42.059 -0.540 0.000 1.339 400 L HN 1.106 nan 8.230 nan 0.000 0.409 401 S N 2.436 118.083 115.700 -0.088 0.000 2.599 401 S HA 1.059 5.528 4.470 -0.001 0.000 0.287 401 S C -0.325 174.201 174.600 -0.124 0.000 1.105 401 S CA -0.017 58.187 58.200 0.007 0.000 0.899 401 S CB 2.067 65.239 63.200 -0.046 0.000 1.100 401 S HN 1.638 nan 8.310 nan 0.000 0.482 402 G N 1.044 109.830 108.800 -0.023 0.000 2.331 402 G HA2 0.320 4.280 3.960 -0.001 0.000 0.479 402 G HA3 0.320 4.280 3.960 -0.001 0.000 0.479 402 G C -1.807 173.006 174.900 -0.146 0.000 1.262 402 G CA 0.001 44.994 45.100 -0.179 0.000 1.029 402 G HN 1.291 nan 8.290 nan 0.000 0.487 403 D N -1.597 118.585 120.400 -0.364 0.000 2.585 403 D HA 0.746 5.385 4.640 -0.001 0.000 0.254 403 D C -0.621 175.198 176.300 -0.802 0.000 1.067 403 D CA -1.076 52.731 54.000 -0.322 0.000 1.090 403 D CB 1.102 41.891 40.800 -0.017 0.000 1.408 403 D HN 0.447 nan 8.370 nan 0.000 0.554 404 F N -0.437 119.402 119.950 -0.185 0.000 2.679 404 F HA 0.411 4.938 4.527 -0.001 0.000 0.354 404 F C -0.811 174.831 175.800 -0.263 0.000 1.423 404 F CA -0.678 57.210 58.000 -0.186 0.000 1.141 404 F CB 0.277 39.193 39.000 -0.140 0.000 1.168 404 F HN -0.001 nan 8.300 nan 0.000 0.530 405 F N -0.694 119.441 119.950 0.308 0.000 2.561 405 F HA 0.518 5.044 4.527 -0.001 0.000 0.321 405 F C 0.584 176.639 175.800 0.426 0.000 1.065 405 F CA -1.218 57.025 58.000 0.406 0.000 0.934 405 F CB 1.803 41.034 39.000 0.385 0.000 1.215 405 F HN -0.268 nan 8.300 nan 0.000 0.471 406 T N 1.671 116.604 114.554 0.632 0.000 2.771 406 T HA 0.108 4.458 4.350 -0.001 0.000 0.291 406 T C -0.846 174.311 174.700 0.762 0.000 0.954 406 T CA -0.190 62.341 62.100 0.718 0.000 1.045 406 T CB 0.089 69.249 68.868 0.488 0.000 0.917 406 T HN 0.353 nan 8.240 nan 0.000 0.484 407 Y N 3.124 123.742 120.300 0.530 0.000 2.511 407 Y HA 0.396 4.945 4.550 -0.001 0.000 0.332 407 Y C -0.097 175.847 175.900 0.072 0.000 1.177 407 Y CA -1.104 57.136 58.100 0.233 0.000 1.422 407 Y CB 0.083 38.559 38.460 0.027 0.000 1.271 407 Y HN 0.684 nan 8.280 nan 0.000 0.550 408 A N 5.226 127.623 122.820 -0.705 0.000 2.374 408 A HA 0.367 4.687 4.320 -0.001 0.000 0.305 408 A C 0.006 176.968 177.584 -1.037 0.000 1.053 408 A CA -0.247 51.200 52.037 -0.983 0.000 0.726 408 A CB 0.722 18.898 19.000 -1.374 0.000 1.229 408 A HN 0.802 nan 8.150 nan 0.000 0.431 409 D N 1.556 121.477 120.400 -0.798 0.000 2.327 409 D HA 0.041 4.680 4.640 -0.001 0.000 0.205 409 D C 0.533 176.832 176.300 -0.002 0.000 0.989 409 D CA 0.587 54.368 54.000 -0.365 0.000 0.873 409 D CB 0.177 40.864 40.800 -0.188 0.000 0.955 409 D HN 0.727 nan 8.370 nan 0.000 0.515 410 R N -2.241 118.202 120.500 -0.096 0.000 2.687 410 R HA 0.415 4.754 4.340 -0.001 0.000 0.265 410 R C -0.211 175.976 176.300 -0.189 0.000 1.048 410 R CA -0.250 55.654 56.100 -0.327 0.000 0.884 410 R CB 0.859 31.049 30.300 -0.184 0.000 1.258 410 R HN -0.104 nan 8.270 nan 0.000 0.469 411 S N 0.183 115.728 115.700 -0.257 0.000 3.938 411 S HA -0.284 4.185 4.470 -0.001 0.000 0.624 411 S C 0.409 175.076 174.600 0.111 0.000 2.186 411 S CA 1.881 60.066 58.200 -0.025 0.000 4.144 411 S CB -1.039 62.132 63.200 -0.049 0.000 0.230 411 S HN 1.086 nan 8.310 nan 0.000 0.755 412 D N 1.431 121.887 120.400 0.093 0.000 2.388 412 D HA 0.178 4.818 4.640 -0.001 0.000 0.221 412 D C 0.050 176.448 176.300 0.162 0.000 1.133 412 D CA -0.090 54.029 54.000 0.197 0.000 0.831 412 D CB -1.390 39.507 40.800 0.161 0.000 0.962 412 D HN 0.495 nan 8.370 nan 0.000 0.502 413 N N 0.919 119.618 118.700 -0.001 0.000 2.663 413 N HA 0.063 4.802 4.740 -0.001 0.000 0.250 413 N C -0.973 174.550 175.510 0.021 0.000 1.129 413 N CA -0.335 52.721 53.050 0.011 0.000 0.995 413 N CB 0.202 38.680 38.487 -0.015 0.000 1.324 413 N HN 0.124 nan 8.380 nan 0.000 0.512 414 Y N 0.347 120.730 120.300 0.138 0.000 2.313 414 Y HA 0.137 4.687 4.550 -0.001 0.000 0.332 414 Y C 0.061 176.154 175.900 0.323 0.000 1.071 414 Y CA -0.704 57.539 58.100 0.238 0.000 1.169 414 Y CB 0.611 39.160 38.460 0.147 0.000 1.192 414 Y HN 0.414 nan 8.280 nan 0.000 0.487 415 W N 2.359 123.781 121.300 0.203 0.000 1.809 415 W HA 0.233 4.892 4.660 -0.001 0.000 0.399 415 W C 0.854 177.419 176.519 0.078 0.000 0.636 415 W CA -0.691 56.804 57.345 0.251 0.000 2.178 415 W CB -0.545 29.157 29.460 0.403 0.000 1.632 415 W HN 0.552 nan 8.180 nan 0.000 0.470 416 S N -2.055 113.680 115.700 0.057 0.000 2.535 416 S HA 0.128 4.597 4.470 -0.001 0.000 0.214 416 S C 1.967 176.306 174.600 -0.434 0.000 0.980 416 S CA 0.347 58.228 58.200 -0.532 0.000 0.907 416 S CB 0.122 63.320 63.200 -0.004 0.000 0.790 416 S HN 0.332 nan 8.310 nan 0.000 0.510 417 G N 2.088 110.826 108.800 -0.102 0.000 2.418 417 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.217 417 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.217 417 G C 1.264 176.141 174.900 -0.039 0.000 1.158 417 G CA 0.951 46.003 45.100 -0.081 0.000 0.771 417 G HN 0.814 nan 8.290 nan 0.000 0.545 418 Y N -0.911 119.359 120.300 -0.049 0.000 2.616 418 Y HA 0.178 4.727 4.550 -0.001 0.000 0.296 418 Y C 2.011 178.033 175.900 0.203 0.000 1.154 418 Y CA 0.014 58.166 58.100 0.087 0.000 1.325 418 Y CB -0.535 38.058 38.460 0.223 0.000 1.007 418 Y HN 0.338 nan 8.280 nan 0.000 0.542 419 Y N 0.321 120.403 120.300 -0.364 0.000 2.497 419 Y HA -0.113 4.436 4.550 -0.001 0.000 0.292 419 Y C 1.485 177.337 175.900 -0.080 0.000 1.137 419 Y CA 0.691 58.619 58.100 -0.286 0.000 1.285 419 Y CB 0.141 38.465 38.460 -0.226 0.000 0.991 419 Y HN 0.255 nan 8.280 nan 0.000 0.556 420 T N -2.327 112.294 114.554 0.111 0.000 2.966 420 T HA 0.051 4.401 4.350 -0.001 0.000 0.254 420 T C 0.611 175.398 174.700 0.144 0.000 0.961 420 T CA -0.168 61.999 62.100 0.112 0.000 0.915 420 T CB 0.153 69.058 68.868 0.060 0.000 1.186 420 T HN -0.094 nan 8.240 nan 0.000 0.505 421 S N 2.477 118.261 115.700 0.140 0.000 2.558 421 S HA 0.213 4.682 4.470 -0.001 0.000 0.293 421 S C 0.380 175.115 174.600 0.224 0.000 1.292 421 S CA -0.002 58.292 58.200 0.156 0.000 1.063 421 S CB 0.101 63.381 63.200 0.133 0.000 0.831 421 S HN 0.399 nan 8.310 nan 0.000 0.499 422 R N 1.011 121.660 120.500 0.248 0.000 3.209 422 R HA -0.117 4.222 4.340 -0.001 0.000 0.252 422 R C -2.046 174.505 176.300 0.418 0.000 0.958 422 R CA 0.671 56.992 56.100 0.368 0.000 0.651 422 R CB -1.871 28.676 30.300 0.412 0.000 1.142 422 R HN 0.499 nan 8.270 nan 0.000 0.441 423 P HA -0.216 nan 4.420 nan 0.000 0.223 423 P C 1.126 178.641 177.300 0.357 0.000 1.151 423 P CA 0.938 64.257 63.100 0.365 0.000 0.787 423 P CB -0.009 31.948 31.700 0.428 0.000 0.788 424 Y N 1.502 121.895 120.300 0.157 0.000 2.128 424 Y HA -0.244 4.306 4.550 -0.001 0.000 0.284 424 Y C 2.610 178.508 175.900 -0.004 0.000 1.154 424 Y CA 1.913 60.025 58.100 0.020 0.000 1.149 424 Y CB -0.753 37.588 38.460 -0.199 0.000 0.976 424 Y HN 0.063 nan 8.280 nan 0.000 0.505 425 H N -0.448 118.876 119.070 0.423 0.000 2.470 425 H HA -0.019 4.536 4.556 -0.001 0.000 0.289 425 H C 2.002 177.484 175.328 0.256 0.000 1.033 425 H CA 1.168 57.386 56.048 0.284 0.000 1.331 425 H CB 0.025 30.018 29.762 0.386 0.000 1.414 425 H HN 0.400 nan 8.280 nan 0.000 0.545 426 K N 0.768 121.389 120.400 0.369 0.000 2.057 426 K HA -0.164 4.155 4.320 -0.001 0.000 0.207 426 K C 2.416 179.074 176.600 0.096 0.000 1.049 426 K CA 1.147 57.586 56.287 0.254 0.000 0.931 426 K CB 0.093 32.723 32.500 0.217 0.000 0.714 426 K HN -0.016 nan 8.250 nan 0.000 0.440 427 R N 1.403 121.932 120.500 0.048 0.000 2.081 427 R HA -0.034 4.305 4.340 -0.001 0.000 0.235 427 R C 2.085 178.137 176.300 -0.413 0.000 1.131 427 R CA 1.524 57.576 56.100 -0.080 0.000 0.960 427 R CB -0.442 29.912 30.300 0.089 0.000 0.856 427 R HN 0.171 nan 8.270 nan 0.000 0.436 428 M N 0.224 119.451 119.600 -0.622 0.000 2.149 428 M HA -0.204 4.275 4.480 -0.001 0.000 0.261 428 M C 1.469 177.455 176.300 -0.524 0.000 1.064 428 M CA 2.419 57.122 55.300 -0.995 0.000 1.102 428 M CB -0.333 31.872 32.600 -0.658 0.000 1.369 428 M HN 0.290 nan 8.290 nan 0.000 0.408 429 D N -0.257 120.017 120.400 -0.211 0.000 2.116 429 D HA -0.221 4.418 4.640 -0.001 0.000 0.193 429 D C 1.897 178.121 176.300 -0.127 0.000 0.998 429 D CA 1.473 55.446 54.000 -0.045 0.000 0.836 429 D CB 0.116 41.034 40.800 0.197 0.000 0.951 429 D HN 0.218 nan 8.370 nan 0.000 0.449 430 R N 0.038 120.438 120.500 -0.166 0.000 2.090 430 R HA -0.011 4.328 4.340 -0.001 0.000 0.228 430 R C 2.432 178.588 176.300 -0.241 0.000 1.110 430 R CA 0.433 56.426 56.100 -0.179 0.000 0.973 430 R CB -0.945 29.267 30.300 -0.147 0.000 0.869 430 R HN 0.262 nan 8.270 nan 0.000 0.440 431 V N 1.518 121.219 119.914 -0.355 0.000 2.261 431 V HA -0.218 3.901 4.120 -0.001 0.000 0.246 431 V C 2.373 178.339 176.094 -0.212 0.000 1.047 431 V CA 1.526 63.608 62.300 -0.363 0.000 1.015 431 V CB -0.581 30.842 31.823 -0.667 0.000 0.642 431 V HN 0.137 nan 8.190 nan 0.000 0.446 432 L N -0.423 120.673 121.223 -0.212 0.000 2.083 432 L HA -0.160 4.180 4.340 -0.001 0.000 0.209 432 L C 2.308 179.124 176.870 -0.090 0.000 1.083 432 L CA 2.015 56.801 54.840 -0.090 0.000 0.752 432 L CB -0.680 41.306 42.059 -0.122 0.000 0.899 432 L HN 0.331 nan 8.230 nan 0.000 0.433 433 M N -1.383 118.138 119.600 -0.132 0.000 2.073 433 M HA -0.317 4.162 4.480 -0.001 0.000 0.258 433 M C 2.448 178.647 176.300 -0.167 0.000 1.070 433 M CA 2.349 57.555 55.300 -0.156 0.000 1.103 433 M CB -0.650 31.826 32.600 -0.207 0.000 1.321 433 M HN 0.533 nan 8.290 nan 0.000 0.405 434 H N -0.898 118.010 119.070 -0.271 0.000 2.357 434 H HA -0.180 4.375 4.556 -0.001 0.000 0.301 434 H C 1.621 176.805 175.328 -0.240 0.000 1.082 434 H CA 2.108 57.973 56.048 -0.305 0.000 1.342 434 H CB -0.242 29.264 29.762 -0.428 0.000 1.389 434 H HN 0.477 nan 8.280 nan 0.000 0.511 435 Y N 0.287 120.444 120.300 -0.239 0.000 2.314 435 Y HA -0.119 4.430 4.550 -0.001 0.000 0.293 435 Y C 2.910 178.688 175.900 -0.203 0.000 1.129 435 Y CA 0.795 58.754 58.100 -0.235 0.000 1.201 435 Y CB -0.433 37.959 38.460 -0.113 0.000 0.999 435 Y HN 0.020 nan 8.280 nan 0.000 0.541 436 V N 0.191 120.077 119.914 -0.047 0.000 2.295 436 V HA -0.311 3.809 4.120 -0.001 0.000 0.246 436 V C 2.546 178.579 176.094 -0.102 0.000 1.049 436 V CA 2.179 64.436 62.300 -0.072 0.000 1.024 436 V CB -0.583 31.190 31.823 -0.083 0.000 0.648 436 V HN 0.301 nan 8.190 nan 0.000 0.447 437 R N 0.408 120.817 120.500 -0.152 0.000 2.083 437 R HA -0.205 4.134 4.340 -0.001 0.000 0.237 437 R C 2.247 178.491 176.300 -0.094 0.000 1.137 437 R CA 1.996 58.018 56.100 -0.131 0.000 0.951 437 R CB -0.510 29.698 30.300 -0.153 0.000 0.851 437 R HN 0.469 nan 8.270 nan 0.000 0.434 438 A N 0.544 123.265 122.820 -0.166 0.000 1.930 438 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 438 A C 2.362 179.952 177.584 0.010 0.000 1.175 438 A CA 1.560 53.591 52.037 -0.009 0.000 0.627 438 A CB -0.709 18.260 19.000 -0.051 0.000 0.815 438 A HN 0.577 nan 8.150 nan 0.000 0.443 439 A N -0.139 122.676 122.820 -0.009 0.000 1.898 439 A HA -0.151 4.168 4.320 -0.001 0.000 0.216 439 A C 1.938 179.495 177.584 -0.046 0.000 1.181 439 A CA 1.541 53.566 52.037 -0.020 0.000 0.620 439 A CB -0.500 18.481 19.000 -0.031 0.000 0.819 439 A HN 0.615 nan 8.150 nan 0.000 0.442 440 E N -0.957 119.208 120.200 -0.057 0.000 2.077 440 E HA -0.210 4.139 4.350 -0.001 0.000 0.193 440 E C 2.073 178.623 176.600 -0.083 0.000 0.989 440 E CA 1.404 57.757 56.400 -0.077 0.000 0.800 440 E CB -0.265 29.387 29.700 -0.080 0.000 0.746 440 E HN 0.747 nan 8.360 nan 0.000 0.452 441 M N 0.753 120.326 119.600 -0.045 0.000 2.077 441 M HA -0.151 4.328 4.480 -0.001 0.000 0.261 441 M C 2.194 178.496 176.300 0.002 0.000 1.070 441 M CA 1.348 56.620 55.300 -0.047 0.000 1.125 441 M CB 0.018 32.688 32.600 0.116 0.000 1.339 441 M HN 0.071 nan 8.290 nan 0.000 0.409 442 L N 0.083 121.370 121.223 0.106 0.000 2.079 442 L HA -0.205 4.134 4.340 -0.001 0.000 0.210 442 L C 2.620 179.671 176.870 0.300 0.000 1.081 442 L CA 1.766 56.732 54.840 0.210 0.000 0.752 442 L CB -0.551 41.489 42.059 -0.031 0.000 0.896 442 L HN 0.519 nan 8.230 nan 0.000 0.433 443 S N -1.063 114.732 115.700 0.158 0.000 2.527 443 S HA 0.075 4.544 4.470 -0.001 0.000 0.222 443 S C 1.964 176.751 174.600 0.312 0.000 0.985 443 S CA 0.374 58.742 58.200 0.280 0.000 0.921 443 S CB 0.013 63.189 63.200 -0.040 0.000 0.772 443 S HN 0.297 nan 8.310 nan 0.000 0.529 444 A N 0.865 123.689 122.820 0.006 0.000 2.067 444 A HA 0.102 4.422 4.320 -0.001 0.000 0.219 444 A C 1.680 179.171 177.584 -0.156 0.000 1.158 444 A CA 0.698 52.641 52.037 -0.156 0.000 0.661 444 A CB -1.146 17.608 19.000 -0.411 0.000 0.801 444 A HN 0.755 nan 8.150 nan 0.000 0.452 445 W N -0.603 120.722 121.300 0.042 0.000 2.392 445 W HA -0.013 4.647 4.660 -0.001 0.000 0.279 445 W C 0.811 177.140 176.519 -0.316 0.000 1.225 445 W CA 0.924 58.199 57.345 -0.117 0.000 1.233 445 W CB -0.147 29.215 29.460 -0.162 0.000 1.122 445 W HN 0.391 nan 8.180 nan 0.000 0.561 446 H N -2.157 116.977 119.070 0.107 0.000 2.731 446 H HA 0.351 4.906 4.556 -0.001 0.000 0.368 446 H C -0.318 174.912 175.328 -0.163 0.000 1.168 446 H CA -0.912 55.033 56.048 -0.172 0.000 1.181 446 H CB 1.734 31.150 29.762 -0.577 0.000 1.743 446 H HN -0.422 nan 8.280 nan 0.000 0.547 447 S N 1.128 116.792 115.700 -0.061 0.000 2.562 447 S HA 0.269 4.739 4.470 -0.001 0.000 0.275 447 S C -1.278 173.222 174.600 -0.167 0.000 1.281 447 S CA -0.629 57.555 58.200 -0.026 0.000 1.045 447 S CB 0.200 63.396 63.200 -0.007 0.000 0.962 447 S HN 0.419 nan 8.310 nan 0.000 0.503 448 W N 2.350 123.655 121.300 0.008 0.000 2.632 448 W HA 0.359 5.018 4.660 -0.001 0.000 0.328 448 W C -0.014 176.465 176.519 -0.067 0.000 1.044 448 W CA -0.833 56.489 57.345 -0.039 0.000 1.225 448 W CB 0.670 30.075 29.460 -0.092 0.000 1.396 448 W HN 0.662 nan 8.180 nan 0.000 0.499 449 D N 0.763 121.243 120.400 0.135 0.000 2.449 449 D HA 0.142 4.781 4.640 -0.001 0.000 0.236 449 D C 1.661 177.959 176.300 -0.004 0.000 1.149 449 D CA 1.210 55.248 54.000 0.063 0.000 0.878 449 D CB 1.172 42.026 40.800 0.090 0.000 1.198 449 D HN 0.561 nan 8.370 nan 0.000 0.446 450 G N 2.707 111.510 108.800 0.006 0.000 2.475 450 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.220 450 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.220 450 G C 1.363 176.230 174.900 -0.055 0.000 1.125 450 G CA 0.388 45.478 45.100 -0.018 0.000 0.755 450 G HN 0.532 nan 8.290 nan 0.000 0.565 451 M N 0.827 120.403 119.600 -0.039 0.000 2.446 451 M HA 0.008 4.487 4.480 -0.001 0.000 0.263 451 M C 2.802 178.992 176.300 -0.184 0.000 1.066 451 M CA 1.033 56.323 55.300 -0.017 0.000 1.087 451 M CB -0.290 32.395 32.600 0.141 0.000 1.406 451 M HN 0.354 nan 8.290 nan 0.000 0.459 452 A N 0.010 122.494 122.820 -0.560 0.000 2.119 452 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 452 A C 1.194 178.563 177.584 -0.358 0.000 1.152 452 A CA 0.435 51.937 52.037 -0.891 0.000 0.708 452 A CB -0.289 18.053 19.000 -1.097 0.000 0.805 452 A HN 0.593 nan 8.150 nan 0.000 0.460 453 R N -1.749 118.619 120.500 -0.220 0.000 3.641 453 R HA -0.176 4.163 4.340 -0.001 0.000 0.286 453 R C 0.642 176.829 176.300 -0.188 0.000 1.153 453 R CA 0.736 56.750 56.100 -0.143 0.000 0.775 453 R CB -2.157 28.092 30.300 -0.085 0.000 1.215 453 R HN 0.477 nan 8.270 nan 0.000 0.474 454 I N 0.490 120.899 120.570 -0.268 0.000 2.193 454 I HA -0.174 3.995 4.170 -0.001 0.000 0.240 454 I C 2.130 178.122 176.117 -0.209 0.000 1.084 454 I CA 1.637 62.730 61.300 -0.344 0.000 1.365 454 I CB -0.665 36.972 38.000 -0.606 0.000 1.064 454 I HN 0.196 nan 8.210 nan 0.000 0.410 455 E N 0.773 120.890 120.200 -0.139 0.000 2.077 455 E HA -0.236 4.113 4.350 -0.001 0.000 0.193 455 E C 2.082 178.635 176.600 -0.078 0.000 0.989 455 E CA 1.212 57.559 56.400 -0.089 0.000 0.800 455 E CB -0.244 29.427 29.700 -0.048 0.000 0.746 455 E HN 0.472 nan 8.360 nan 0.000 0.452 456 E N 0.445 120.601 120.200 -0.075 0.000 2.038 456 E HA -0.266 4.083 4.350 -0.001 0.000 0.195 456 E C 1.944 178.503 176.600 -0.068 0.000 1.000 456 E CA 1.139 57.503 56.400 -0.059 0.000 0.803 456 E CB 0.091 29.760 29.700 -0.051 0.000 0.750 456 E HN -0.029 nan 8.360 nan 0.000 0.448 457 R N 0.298 120.745 120.500 -0.089 0.000 2.075 457 R HA -0.014 4.325 4.340 -0.001 0.000 0.232 457 R C 2.401 178.647 176.300 -0.091 0.000 1.126 457 R CA 0.944 56.991 56.100 -0.087 0.000 0.963 457 R CB -0.532 29.707 30.300 -0.102 0.000 0.858 457 R HN 0.284 nan 8.270 nan 0.000 0.435 458 L N -0.113 121.047 121.223 -0.105 0.000 2.093 458 L HA -0.129 4.210 4.340 -0.001 0.000 0.208 458 L C 2.366 179.178 176.870 -0.096 0.000 1.085 458 L CA 1.467 56.246 54.840 -0.101 0.000 0.755 458 L CB -0.414 41.580 42.059 -0.109 0.000 0.904 458 L HN 0.295 nan 8.230 nan 0.000 0.435 459 E N 0.152 120.299 120.200 -0.088 0.000 2.077 459 E HA -0.307 4.043 4.350 -0.001 0.000 0.193 459 E C 2.215 178.749 176.600 -0.110 0.000 0.989 459 E CA 1.351 57.693 56.400 -0.096 0.000 0.800 459 E CB -0.003 29.662 29.700 -0.059 0.000 0.746 459 E HN 0.419 nan 8.360 nan 0.000 0.452 460 Q N -0.029 119.724 119.800 -0.079 0.000 2.061 460 Q HA -0.220 4.119 4.340 -0.001 0.000 0.204 460 Q C 2.079 178.034 176.000 -0.075 0.000 0.984 460 Q CA 1.702 57.465 55.803 -0.066 0.000 0.846 460 Q CB -0.240 28.471 28.738 -0.046 0.000 0.902 460 Q HN 0.356 nan 8.270 nan 0.000 0.421 461 A N 1.045 123.818 122.820 -0.078 0.000 1.877 461 A HA -0.192 4.127 4.320 -0.001 0.000 0.216 461 A C 2.083 179.611 177.584 -0.093 0.000 1.186 461 A CA 1.509 53.502 52.037 -0.073 0.000 0.620 461 A CB -0.530 18.428 19.000 -0.070 0.000 0.822 461 A HN 0.383 nan 8.150 nan 0.000 0.443 462 R N -0.792 119.633 120.500 -0.125 0.000 2.091 462 R HA -0.106 4.234 4.340 -0.001 0.000 0.238 462 R C 2.447 178.606 176.300 -0.235 0.000 1.136 462 R CA 1.646 57.647 56.100 -0.164 0.000 0.959 462 R CB -0.285 29.906 30.300 -0.182 0.000 0.856 462 R HN 0.493 nan 8.270 nan 0.000 0.437 463 R N 0.221 120.552 120.500 -0.280 0.000 2.090 463 R HA -0.060 4.279 4.340 -0.001 0.000 0.228 463 R C 2.099 178.342 176.300 -0.096 0.000 1.110 463 R CA 0.869 56.737 56.100 -0.386 0.000 0.973 463 R CB 0.025 30.120 30.300 -0.342 0.000 0.869 463 R HN 0.182 nan 8.270 nan 0.000 0.440 464 E N 0.843 121.022 120.200 -0.036 0.000 2.072 464 E HA -0.168 4.181 4.350 -0.001 0.000 0.191 464 E C 1.976 178.615 176.600 0.065 0.000 0.985 464 E CA 0.765 57.189 56.400 0.039 0.000 0.801 464 E CB -0.241 29.472 29.700 0.022 0.000 0.750 464 E HN 0.141 nan 8.360 nan 0.000 0.452 465 L N 1.230 122.461 121.223 0.014 0.000 2.046 465 L HA -0.097 4.243 4.340 -0.001 0.000 0.208 465 L C 2.179 179.100 176.870 0.084 0.000 1.077 465 L CA 1.642 56.508 54.840 0.043 0.000 0.747 465 L CB -0.643 41.407 42.059 -0.015 0.000 0.896 465 L HN -0.090 nan 8.230 nan 0.000 0.432 466 S N -0.464 115.250 115.700 0.022 0.000 2.368 466 S HA -0.177 4.292 4.470 -0.001 0.000 0.225 466 S C 1.844 176.583 174.600 0.231 0.000 1.030 466 S CA 1.509 59.751 58.200 0.070 0.000 0.999 466 S CB -0.584 62.551 63.200 -0.108 0.000 0.844 466 S HN 0.461 nan 8.310 nan 0.000 0.459 467 L N 0.728 122.132 121.223 0.302 0.000 2.042 467 L HA -0.053 4.286 4.340 -0.001 0.000 0.210 467 L C 1.863 178.840 176.870 0.177 0.000 1.076 467 L CA 1.682 56.694 54.840 0.287 0.000 0.749 467 L CB -0.645 41.558 42.059 0.239 0.000 0.893 467 L HN 0.298 nan 8.230 nan 0.000 0.432 468 F N -0.351 119.578 119.950 -0.034 0.000 2.451 468 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 468 F C 2.182 177.913 175.800 -0.115 0.000 1.101 468 F CA 0.832 58.709 58.000 -0.204 0.000 1.436 468 F CB -0.198 38.718 39.000 -0.140 0.000 1.074 468 F HN 0.249 nan 8.300 nan 0.000 0.553 469 Q N -0.330 119.442 119.800 -0.046 0.000 2.436 469 Q HA -0.146 4.193 4.340 -0.001 0.000 0.209 469 Q C 0.749 176.698 176.000 -0.085 0.000 0.965 469 Q CA 0.429 56.182 55.803 -0.083 0.000 0.910 469 Q CB -1.263 27.494 28.738 0.032 0.000 0.980 469 Q HN 0.563 nan 8.270 nan 0.000 0.491 470 H N 1.911 120.874 119.070 -0.178 0.000 3.073 470 H HA -0.104 4.451 4.556 -0.001 0.000 0.340 470 H C 0.983 176.161 175.328 -0.250 0.000 1.054 470 H CA 0.449 56.385 56.048 -0.188 0.000 1.372 470 H CB 0.682 30.346 29.762 -0.164 0.000 1.314 470 H HN 0.330 nan 8.280 nan 0.000 0.603 471 H N 2.926 121.584 119.070 -0.687 0.000 2.562 471 H HA -0.008 4.548 4.556 -0.001 0.000 0.272 471 H C -0.319 174.591 175.328 -0.697 0.000 1.019 471 H CA 0.288 55.908 56.048 -0.714 0.000 1.160 471 H CB 0.194 29.528 29.762 -0.713 0.000 1.334 471 H HN 0.591 nan 8.280 nan 0.000 0.611 472 D N 0.442 120.155 120.400 -1.145 0.000 2.469 472 D HA 0.125 4.764 4.640 -0.001 0.000 0.215 472 D C 1.558 177.829 176.300 -0.047 0.000 1.154 472 D CA 0.282 54.130 54.000 -0.253 0.000 0.832 472 D CB 0.879 41.789 40.800 0.184 0.000 1.008 472 D HN 0.534 nan 8.370 nan 0.000 0.506 473 G N 1.280 109.843 108.800 -0.395 0.000 2.600 473 G HA2 0.010 3.969 3.960 -0.001 0.000 0.225 473 G HA3 0.010 3.969 3.960 -0.001 0.000 0.225 473 G C 1.329 175.638 174.900 -0.984 0.000 1.623 473 G CA -0.221 44.380 45.100 -0.832 0.000 0.903 473 G HN 0.187 nan 8.290 nan 0.000 0.574 474 I N 2.000 121.730 120.570 -1.400 0.000 2.423 474 I HA -0.183 3.987 4.170 -0.001 0.000 0.254 474 I C 2.905 178.933 176.117 -0.149 0.000 1.151 474 I CA 2.088 62.891 61.300 -0.828 0.000 1.421 474 I CB -0.037 37.644 38.000 -0.531 0.000 1.079 474 I HN 0.384 nan 8.210 nan 0.000 0.431 475 T N -1.683 112.832 114.554 -0.065 0.000 3.007 475 T HA 0.013 4.363 4.350 -0.001 0.000 0.270 475 T C 1.549 176.397 174.700 0.246 0.000 1.107 475 T CA 0.667 62.915 62.100 0.247 0.000 1.118 475 T CB -0.525 68.498 68.868 0.258 0.000 0.889 475 T HN 0.640 nan 8.240 nan 0.000 0.506 476 G N 1.379 110.281 108.800 0.169 0.000 2.176 476 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.252 476 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.252 476 G C 0.570 175.547 174.900 0.128 0.000 1.024 476 G CA 0.685 45.903 45.100 0.197 0.000 0.755 476 G HN 1.162 nan 8.290 nan 0.000 0.507 477 T N -3.440 111.185 114.554 0.118 0.000 3.174 477 T HA 0.739 5.089 4.350 -0.001 0.000 0.269 477 T C 0.902 175.797 174.700 0.326 0.000 1.017 477 T CA 1.070 63.176 62.100 0.010 0.000 0.899 477 T CB 0.954 69.669 68.868 -0.255 0.000 1.077 477 T HN 1.565 nan 8.240 nan 0.000 0.552 478 A N 1.280 124.301 122.820 0.335 0.000 2.269 478 A HA 0.700 5.020 4.320 -0.001 0.000 0.327 478 A C 0.175 177.845 177.584 0.143 0.000 1.112 478 A CA -0.950 51.305 52.037 0.363 0.000 0.865 478 A CB 0.866 20.121 19.000 0.426 0.000 1.227 478 A HN 0.397 nan 8.150 nan 0.000 0.498 479 K N -0.315 120.094 120.400 0.015 0.000 2.276 479 K HA 0.156 4.476 4.320 -0.001 0.000 0.259 479 K C 1.081 177.684 176.600 0.006 0.000 1.001 479 K CA 0.355 56.637 56.287 -0.008 0.000 0.927 479 K CB 0.345 32.833 32.500 -0.021 0.000 0.969 479 K HN 0.725 nan 8.250 nan 0.000 0.490 480 T N 1.280 115.870 114.554 0.060 0.000 2.665 480 T HA -0.201 4.148 4.350 -0.001 0.000 0.268 480 T C 1.661 176.397 174.700 0.061 0.000 1.035 480 T CA 1.816 63.957 62.100 0.068 0.000 1.151 480 T CB -0.406 68.511 68.868 0.082 0.000 0.862 480 T HN 0.686 nan 8.240 nan 0.000 0.438 481 H N 0.529 119.592 119.070 -0.011 0.000 2.495 481 H HA 0.110 4.665 4.556 -0.001 0.000 0.287 481 H C 2.016 177.319 175.328 -0.042 0.000 1.033 481 H CA 0.818 56.853 56.048 -0.021 0.000 1.307 481 H CB -0.764 28.981 29.762 -0.028 0.000 1.401 481 H HN 0.275 nan 8.280 nan 0.000 0.555 482 V N 1.207 120.778 119.914 -0.570 0.000 2.407 482 V HA -0.171 3.949 4.120 -0.001 0.000 0.245 482 V C 3.036 178.948 176.094 -0.303 0.000 1.041 482 V CA 1.112 63.106 62.300 -0.509 0.000 1.040 482 V CB -0.479 31.087 31.823 -0.427 0.000 0.671 482 V HN 0.233 nan 8.190 nan 0.000 0.455 483 V N 0.052 119.919 119.914 -0.079 0.000 2.332 483 V HA -0.253 3.866 4.120 -0.001 0.000 0.248 483 V C 2.470 178.547 176.094 -0.028 0.000 1.055 483 V CA 2.013 64.323 62.300 0.016 0.000 1.038 483 V CB -0.601 31.193 31.823 -0.048 0.000 0.651 483 V HN 0.416 nan 8.190 nan 0.000 0.450 484 V N 0.391 120.296 119.914 -0.015 0.000 2.343 484 V HA -0.311 3.809 4.120 -0.001 0.000 0.247 484 V C 2.309 178.423 176.094 0.033 0.000 1.051 484 V CA 2.459 64.783 62.300 0.039 0.000 1.036 484 V CB -0.692 31.163 31.823 0.054 0.000 0.654 484 V HN 0.652 nan 8.190 nan 0.000 0.451 485 D N -1.003 119.372 120.400 -0.042 0.000 2.097 485 D HA -0.208 4.432 4.640 -0.001 0.000 0.195 485 D C 2.018 178.332 176.300 0.024 0.000 0.989 485 D CA 1.678 55.650 54.000 -0.046 0.000 0.827 485 D CB -0.259 40.454 40.800 -0.145 0.000 0.966 485 D HN 0.592 nan 8.370 nan 0.000 0.456 486 Y N 0.417 120.764 120.300 0.078 0.000 2.181 486 Y HA -0.146 4.404 4.550 -0.001 0.000 0.288 486 Y C 2.566 178.456 175.900 -0.017 0.000 1.146 486 Y CA 1.134 59.281 58.100 0.078 0.000 1.164 486 Y CB -0.108 38.473 38.460 0.202 0.000 0.982 486 Y HN 0.097 nan 8.280 nan 0.000 0.515 487 E N 0.504 120.813 120.200 0.182 0.000 2.077 487 E HA -0.263 4.087 4.350 -0.001 0.000 0.193 487 E C 1.984 178.671 176.600 0.146 0.000 0.989 487 E CA 1.339 57.863 56.400 0.206 0.000 0.800 487 E CB -0.050 29.854 29.700 0.340 0.000 0.746 487 E HN 0.563 nan 8.360 nan 0.000 0.452 488 Q N -0.054 119.817 119.800 0.118 0.000 2.084 488 Q HA -0.159 4.181 4.340 -0.001 0.000 0.202 488 Q C 2.323 178.367 176.000 0.072 0.000 0.978 488 Q CA 1.396 57.251 55.803 0.088 0.000 0.844 488 Q CB -0.067 28.712 28.738 0.069 0.000 0.898 488 Q HN 0.195 nan 8.270 nan 0.000 0.426 489 R N 0.056 120.604 120.500 0.080 0.000 2.081 489 R HA -0.068 4.272 4.340 -0.001 0.000 0.235 489 R C 2.273 178.597 176.300 0.041 0.000 1.131 489 R CA 1.456 57.596 56.100 0.067 0.000 0.960 489 R CB -0.172 30.191 30.300 0.105 0.000 0.856 489 R HN 0.298 nan 8.270 nan 0.000 0.436 490 M N 0.334 119.950 119.600 0.027 0.000 2.229 490 M HA -0.187 4.292 4.480 -0.001 0.000 0.264 490 M C 2.171 178.476 176.300 0.009 0.000 1.063 490 M CA 1.634 56.921 55.300 -0.022 0.000 1.114 490 M CB -0.209 32.321 32.600 -0.116 0.000 1.387 490 M HN 0.206 nan 8.290 nan 0.000 0.420 491 Q N 0.077 119.909 119.800 0.054 0.000 2.050 491 Q HA -0.177 4.163 4.340 -0.001 0.000 0.202 491 Q C 1.988 178.005 176.000 0.028 0.000 0.980 491 Q CA 1.126 56.969 55.803 0.067 0.000 0.840 491 Q CB -0.085 28.707 28.738 0.091 0.000 0.898 491 Q HN 0.409 nan 8.270 nan 0.000 0.424 492 E N 0.459 120.672 120.200 0.022 0.000 2.110 492 E HA -0.152 4.198 4.350 -0.001 0.000 0.193 492 E C 1.936 178.527 176.600 -0.014 0.000 0.988 492 E CA 1.124 57.526 56.400 0.003 0.000 0.804 492 E CB -0.243 29.463 29.700 0.009 0.000 0.745 492 E HN 0.361 nan 8.360 nan 0.000 0.458 493 A N 1.122 123.933 122.820 -0.016 0.000 1.902 493 A HA -0.133 4.186 4.320 -0.001 0.000 0.217 493 A C 2.396 179.953 177.584 -0.045 0.000 1.181 493 A CA 1.038 53.055 52.037 -0.033 0.000 0.623 493 A CB -0.697 18.284 19.000 -0.033 0.000 0.818 493 A HN 0.185 nan 8.150 nan 0.000 0.443 494 L N -0.773 120.424 121.223 -0.043 0.000 2.046 494 L HA -0.220 4.119 4.340 -0.001 0.000 0.208 494 L C 2.588 179.395 176.870 -0.106 0.000 1.077 494 L CA 1.797 56.589 54.840 -0.079 0.000 0.747 494 L CB -0.390 41.638 42.059 -0.052 0.000 0.896 494 L HN 0.358 nan 8.230 nan 0.000 0.432 495 K N -0.171 120.190 120.400 -0.066 0.000 2.097 495 K HA -0.124 4.195 4.320 -0.001 0.000 0.205 495 K C 2.239 178.798 176.600 -0.068 0.000 1.050 495 K CA 1.240 57.487 56.287 -0.067 0.000 0.938 495 K CB -0.256 32.219 32.500 -0.042 0.000 0.718 495 K HN 0.284 nan 8.250 nan 0.000 0.442 496 A N 1.119 123.902 122.820 -0.061 0.000 1.877 496 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 496 A C 2.414 179.953 177.584 -0.074 0.000 1.186 496 A CA 1.567 53.565 52.037 -0.064 0.000 0.620 496 A CB -1.061 17.903 19.000 -0.060 0.000 0.822 496 A HN 0.418 nan 8.150 nan 0.000 0.443 497 C N -0.951 118.303 119.300 -0.077 0.000 2.413 497 C HA -0.145 4.314 4.460 -0.001 0.000 0.276 497 C C 2.886 177.833 174.990 -0.071 0.000 1.236 497 C CA 1.312 60.288 59.018 -0.069 0.000 1.735 497 C CB -1.342 26.368 27.740 -0.051 0.000 2.031 497 C HN 0.799 nan 8.230 nan 0.000 0.474 498 Q N 0.233 119.962 119.800 -0.118 0.000 2.061 498 Q HA -0.285 4.055 4.340 -0.001 0.000 0.204 498 Q C 2.166 178.168 176.000 0.003 0.000 0.984 498 Q CA 2.105 57.856 55.803 -0.086 0.000 0.846 498 Q CB -0.288 28.372 28.738 -0.131 0.000 0.902 498 Q HN 0.589 nan 8.270 nan 0.000 0.421 499 M N -0.099 119.485 119.600 -0.026 0.000 2.080 499 M HA -0.139 4.341 4.480 -0.001 0.000 0.260 499 M C 1.863 178.156 176.300 -0.012 0.000 1.068 499 M CA 1.574 56.868 55.300 -0.009 0.000 1.109 499 M CB -0.468 32.111 32.600 -0.035 0.000 1.342 499 M HN 0.143 nan 8.290 nan 0.000 0.405 500 V N 0.256 120.130 119.914 -0.067 0.000 2.295 500 V HA -0.309 3.810 4.120 -0.001 0.000 0.246 500 V C 2.427 178.484 176.094 -0.062 0.000 1.049 500 V CA 2.247 64.461 62.300 -0.142 0.000 1.024 500 V CB -0.721 30.998 31.823 -0.173 0.000 0.648 500 V HN 0.560 nan 8.190 nan 0.000 0.447 501 M N 0.304 119.922 119.600 0.031 0.000 2.080 501 M HA -0.283 4.196 4.480 -0.001 0.000 0.260 501 M C 2.391 178.755 176.300 0.107 0.000 1.068 501 M CA 2.538 57.910 55.300 0.121 0.000 1.109 501 M CB -0.534 32.250 32.600 0.306 0.000 1.342 501 M HN 0.553 nan 8.290 nan 0.000 0.405 502 Q N -0.197 119.733 119.800 0.216 0.000 2.123 502 Q HA -0.131 4.209 4.340 -0.001 0.000 0.199 502 Q C 1.828 177.999 176.000 0.285 0.000 0.966 502 Q CA 1.147 57.098 55.803 0.246 0.000 0.845 502 Q CB -0.652 28.325 28.738 0.398 0.000 0.907 502 Q HN 0.418 nan 8.270 nan 0.000 0.439 503 Q N 0.626 120.579 119.800 0.256 0.000 2.096 503 Q HA -0.099 4.241 4.340 -0.001 0.000 0.204 503 Q C 2.280 178.534 176.000 0.423 0.000 0.982 503 Q CA 1.814 57.837 55.803 0.366 0.000 0.850 503 Q CB -0.280 28.587 28.738 0.216 0.000 0.901 503 Q HN 0.517 nan 8.270 nan 0.000 0.422 504 S N 0.288 116.133 115.700 0.242 0.000 2.368 504 S HA -0.081 4.388 4.470 -0.001 0.000 0.224 504 S C 2.220 176.887 174.600 0.112 0.000 1.029 504 S CA 0.989 59.384 58.200 0.326 0.000 0.988 504 S CB -0.187 63.136 63.200 0.206 0.000 0.838 504 S HN 0.134 nan 8.310 nan 0.000 0.462 505 V N 0.753 120.608 119.914 -0.097 0.000 2.343 505 V HA -0.200 3.919 4.120 -0.001 0.000 0.247 505 V C 1.992 178.088 176.094 0.003 0.000 1.051 505 V CA 1.851 63.978 62.300 -0.289 0.000 1.036 505 V CB -0.767 30.486 31.823 -0.950 0.000 0.654 505 V HN 0.528 nan 8.190 nan 0.000 0.451 506 Y N 1.120 121.482 120.300 0.103 0.000 2.165 506 Y HA -0.251 4.298 4.550 -0.001 0.000 0.286 506 Y C 2.756 178.726 175.900 0.117 0.000 1.155 506 Y CA 2.222 60.456 58.100 0.223 0.000 1.164 506 Y CB -0.287 38.224 38.460 0.085 0.000 0.978 506 Y HN 0.092 nan 8.280 nan 0.000 0.513 507 R N -0.245 120.228 120.500 -0.045 0.000 2.090 507 R HA -0.096 4.243 4.340 -0.001 0.000 0.228 507 R C 2.117 178.140 176.300 -0.461 0.000 1.110 507 R CA 1.524 57.251 56.100 -0.623 0.000 0.973 507 R CB -0.362 29.557 30.300 -0.635 0.000 0.869 507 R HN 0.430 nan 8.270 nan 0.000 0.440 508 L N 0.252 121.333 121.223 -0.236 0.000 2.291 508 L HA -0.052 4.287 4.340 -0.001 0.000 0.214 508 L C 1.400 178.149 176.870 -0.202 0.000 1.120 508 L CA 0.763 55.417 54.840 -0.310 0.000 0.799 508 L CB 0.143 41.858 42.059 -0.574 0.000 0.925 508 L HN 0.236 nan 8.230 nan 0.000 0.446 509 L N -1.325 119.871 121.223 -0.045 0.000 3.014 509 L HA 0.221 4.561 4.340 -0.001 0.000 0.263 509 L C -0.211 176.710 176.870 0.085 0.000 1.207 509 L CA -0.093 54.804 54.840 0.095 0.000 1.017 509 L CB 0.566 42.833 42.059 0.347 0.000 1.360 509 L HN -0.010 nan 8.230 nan 0.000 0.560 510 T N 0.116 114.636 114.554 -0.056 0.000 2.829 510 T HA 0.183 4.533 4.350 -0.001 0.000 0.280 510 T C -0.153 174.462 174.700 -0.141 0.000 0.999 510 T CA -0.567 61.475 62.100 -0.097 0.000 0.983 510 T CB 2.363 71.109 68.868 -0.202 0.000 0.968 510 T HN 0.014 nan 8.240 nan 0.000 0.446 511 K N 3.937 124.268 120.400 -0.115 0.000 2.504 511 K HA -0.025 4.294 4.320 -0.001 0.000 0.278 511 K C -1.742 174.823 176.600 -0.059 0.000 1.025 511 K CA -0.950 55.285 56.287 -0.087 0.000 1.093 511 K CB 0.416 32.871 32.500 -0.074 0.000 0.873 511 K HN 0.172 nan 8.250 nan 0.000 0.483 512 P HA -0.194 nan 4.420 nan 0.000 0.216 512 P C 0.753 178.065 177.300 0.020 0.000 1.150 512 P CA 1.464 64.541 63.100 -0.039 0.000 0.837 512 P CB 0.167 31.837 31.700 -0.049 0.000 0.786 513 S N -2.142 113.561 115.700 0.005 0.000 2.561 513 S HA 0.038 4.507 4.470 -0.001 0.000 0.225 513 S C 1.687 176.297 174.600 0.018 0.000 0.977 513 S CA 0.550 58.757 58.200 0.012 0.000 0.926 513 S CB -1.125 62.074 63.200 -0.002 0.000 0.769 513 S HN 0.109 nan 8.310 nan 0.000 0.533 514 I N -0.732 119.854 120.570 0.027 0.000 3.339 514 I HA 0.191 4.361 4.170 -0.001 0.000 0.285 514 I C 0.676 176.829 176.117 0.060 0.000 1.201 514 I CA -0.335 60.985 61.300 0.033 0.000 1.434 514 I CB -0.095 37.918 38.000 0.022 0.000 1.152 514 I HN 0.251 nan 8.210 nan 0.000 0.443 515 Y N 2.680 122.927 120.300 -0.089 0.000 2.802 515 Y HA -0.053 4.497 4.550 -0.001 0.000 0.333 515 Y C 0.474 176.342 175.900 -0.053 0.000 1.244 515 Y CA 0.046 58.068 58.100 -0.130 0.000 1.558 515 Y CB 0.406 38.748 38.460 -0.196 0.000 1.233 515 Y HN -0.118 nan 8.280 nan 0.000 0.547 516 S N 8.625 124.087 115.700 -0.396 0.000 2.317 516 S HA 0.351 4.820 4.470 -0.001 0.000 0.144 516 S C -2.853 171.527 174.600 -0.366 0.000 1.660 516 S CA -1.134 56.860 58.200 -0.345 0.000 1.273 516 S CB -0.126 62.997 63.200 -0.129 0.000 1.330 516 S HN 0.659 nan 8.310 nan 0.000 0.395 517 P HA 0.357 nan 4.420 nan 0.000 0.279 517 P C -1.164 175.863 177.300 -0.455 0.000 1.239 517 P CA -0.235 62.591 63.100 -0.457 0.000 0.789 517 P CB 0.887 32.216 31.700 -0.618 0.000 0.933 518 D N 2.041 122.361 120.400 -0.133 0.000 2.373 518 D HA 0.151 4.790 4.640 -0.001 0.000 0.227 518 D C 0.107 176.425 176.300 0.030 0.000 1.091 518 D CA -0.660 53.254 54.000 -0.144 0.000 0.840 518 D CB 0.235 40.971 40.800 -0.108 0.000 1.060 518 D HN 0.058 nan 8.370 nan 0.000 0.502 519 F N 1.648 121.694 119.950 0.160 0.000 2.802 519 F HA -0.016 4.510 4.527 -0.001 0.000 0.300 519 F C 2.401 178.262 175.800 0.101 0.000 1.168 519 F CA 0.388 58.485 58.000 0.162 0.000 1.433 519 F CB -0.301 38.780 39.000 0.134 0.000 1.115 519 F HN 0.378 nan 8.300 nan 0.000 0.582 520 S N -1.614 114.214 115.700 0.213 0.000 2.511 520 S HA 0.097 4.566 4.470 -0.001 0.000 0.214 520 S C 0.404 175.042 174.600 0.063 0.000 0.997 520 S CA -0.374 57.895 58.200 0.115 0.000 0.908 520 S CB -0.603 62.647 63.200 0.083 0.000 0.803 520 S HN 0.095 nan 8.310 nan 0.000 0.504 521 F N 3.044 122.912 119.950 -0.135 0.000 2.371 521 F HA 0.583 5.109 4.527 -0.001 0.000 0.329 521 F C -0.034 175.533 175.800 -0.389 0.000 1.107 521 F CA -0.673 57.115 58.000 -0.352 0.000 1.137 521 F CB 1.461 40.087 39.000 -0.623 0.000 1.214 521 F HN -0.047 nan 8.300 nan 0.000 0.536 522 S N 5.856 120.827 115.700 -1.215 0.000 2.464 522 S HA 0.161 4.630 4.470 -0.001 0.000 0.313 522 S C 0.349 174.262 174.600 -1.145 0.000 1.078 522 S CA -0.342 57.342 58.200 -0.860 0.000 1.096 522 S CB -0.161 62.670 63.200 -0.615 0.000 1.032 522 S HN 0.673 nan 8.310 nan 0.000 0.498 523 Y N 1.590 121.593 120.300 -0.494 0.000 2.263 523 Y HA 0.144 4.694 4.550 -0.001 0.000 0.292 523 Y C 0.366 175.674 175.900 -0.986 0.000 1.130 523 Y CA 0.773 58.454 58.100 -0.698 0.000 1.179 523 Y CB 0.166 38.215 38.460 -0.685 0.000 0.998 523 Y HN 0.491 nan 8.280 nan 0.000 0.532 524 F N -1.248 118.636 119.950 -0.110 0.000 2.588 524 F HA 0.455 4.981 4.527 -0.001 0.000 0.314 524 F C -0.050 175.763 175.800 0.021 0.000 1.069 524 F CA -1.479 56.530 58.000 0.015 0.000 0.931 524 F CB 1.628 40.781 39.000 0.255 0.000 1.260 524 F HN -0.403 nan 8.300 nan 0.000 0.465 525 T N -0.061 114.638 114.554 0.241 0.000 2.888 525 T HA 0.707 5.056 4.350 -0.001 0.000 0.284 525 T C -0.628 174.161 174.700 0.147 0.000 1.017 525 T CA -0.850 61.327 62.100 0.128 0.000 1.022 525 T CB 1.288 70.173 68.868 0.029 0.000 1.013 525 T HN 0.507 nan 8.240 nan 0.000 0.465 526 L N 1.895 123.116 121.223 -0.004 0.000 2.426 526 L HA 0.395 4.735 4.340 -0.001 0.000 0.271 526 L C 0.114 176.945 176.870 -0.066 0.000 1.169 526 L CA -0.283 54.464 54.840 -0.157 0.000 0.836 526 L CB 0.659 42.546 42.059 -0.285 0.000 1.112 526 L HN 0.814 nan 8.230 nan 0.000 0.465 527 D N 1.760 122.124 120.400 -0.059 0.000 2.408 527 D HA 0.209 4.848 4.640 -0.001 0.000 0.243 527 D C -1.204 175.034 176.300 -0.104 0.000 1.075 527 D CA -0.390 53.575 54.000 -0.058 0.000 0.832 527 D CB 1.109 41.911 40.800 0.003 0.000 1.162 527 D HN 0.289 nan 8.370 nan 0.000 0.515 528 D N 2.415 122.768 120.400 -0.079 0.000 2.549 528 D HA 0.191 4.830 4.640 -0.001 0.000 0.251 528 D C 0.015 176.265 176.300 -0.084 0.000 1.153 528 D CA -0.473 53.512 54.000 -0.026 0.000 0.861 528 D CB 1.898 42.775 40.800 0.128 0.000 1.207 528 D HN 0.256 nan 8.370 nan 0.000 0.543 529 S N 2.622 118.247 115.700 -0.125 0.000 2.522 529 S HA 0.050 4.519 4.470 -0.001 0.000 0.227 529 S C 1.383 175.944 174.600 -0.066 0.000 0.986 529 S CA 0.425 58.541 58.200 -0.141 0.000 0.929 529 S CB 0.415 63.522 63.200 -0.155 0.000 0.769 529 S HN 0.485 nan 8.310 nan 0.000 0.529 530 R N -0.681 119.812 120.500 -0.012 0.000 2.509 530 R HA 0.219 4.559 4.340 -0.001 0.000 0.297 530 R C -0.579 175.797 176.300 0.127 0.000 0.951 530 R CA -0.082 56.036 56.100 0.029 0.000 1.103 530 R CB 0.810 31.118 30.300 0.013 0.000 1.283 530 R HN 0.346 nan 8.270 nan 0.000 0.534 531 W N 1.499 122.760 121.300 -0.064 0.000 3.211 531 W HA 0.296 4.955 4.660 -0.001 0.000 0.335 531 W C -2.866 173.628 176.519 -0.041 0.000 1.113 531 W CA -1.984 55.325 57.345 -0.061 0.000 1.235 531 W CB 1.853 31.289 29.460 -0.040 0.000 1.365 531 W HN -0.195 nan 8.180 nan 0.000 0.476 532 P HA 0.094 nan 4.420 nan 0.000 0.226 532 P C 0.317 177.248 177.300 -0.614 0.000 1.153 532 P CA 1.611 63.871 63.100 -1.400 0.000 0.777 532 P CB 0.288 31.387 31.700 -1.002 0.000 0.794 533 G N -0.972 107.643 108.800 -0.308 0.000 2.617 533 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.686 533 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.686 533 G C -0.453 174.384 174.900 -0.105 0.000 1.214 533 G CA -0.489 44.520 45.100 -0.152 0.000 0.796 533 G HN 0.093 nan 8.290 nan 0.000 0.654 534 S N 0.371 116.051 115.700 -0.033 0.000 2.544 534 S HA 0.509 4.978 4.470 -0.001 0.000 0.290 534 S C 1.862 176.460 174.600 -0.004 0.000 1.276 534 S CA 2.076 60.290 58.200 0.023 0.000 1.075 534 S CB 0.120 63.377 63.200 0.093 0.000 0.849 534 S HN 2.719 nan 8.310 nan 0.000 0.494 535 G N 2.933 111.727 108.800 -0.009 0.000 2.217 535 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.246 535 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.246 535 G C 0.629 175.496 174.900 -0.055 0.000 0.990 535 G CA 0.282 45.365 45.100 -0.029 0.000 0.627 535 G HN 0.893 nan 8.290 nan 0.000 0.522 536 V N -0.058 119.807 119.914 -0.083 0.000 2.690 536 V HA 0.426 4.545 4.120 -0.001 0.000 0.240 536 V C 0.825 176.855 176.094 -0.107 0.000 1.078 536 V CA 1.856 64.092 62.300 -0.107 0.000 1.102 536 V CB 0.863 32.586 31.823 -0.167 0.000 0.800 536 V HN 0.538 nan 8.190 nan 0.000 0.479 537 E N 0.449 120.578 120.200 -0.118 0.000 2.304 537 E HA 0.203 4.552 4.350 -0.001 0.000 0.277 537 E C -1.821 174.742 176.600 -0.062 0.000 0.898 537 E CA -0.535 55.808 56.400 -0.095 0.000 0.764 537 E CB 1.941 31.562 29.700 -0.132 0.000 1.216 537 E HN 0.207 nan 8.360 nan 0.000 0.419 538 D N 3.133 123.517 120.400 -0.026 0.000 2.524 538 D HA 0.105 4.744 4.640 -0.001 0.000 0.222 538 D C 0.172 176.474 176.300 0.002 0.000 1.142 538 D CA -0.189 53.816 54.000 0.009 0.000 0.973 538 D CB 0.463 41.282 40.800 0.032 0.000 1.025 538 D HN 0.339 nan 8.370 nan 0.000 0.519 539 S N 2.318 118.005 115.700 -0.021 0.000 2.523 539 S HA 0.219 4.688 4.470 -0.001 0.000 0.217 539 S C 0.953 175.539 174.600 -0.024 0.000 0.996 539 S CA -0.506 57.677 58.200 -0.029 0.000 0.921 539 S CB 0.306 63.471 63.200 -0.058 0.000 0.829 539 S HN 0.237 nan 8.310 nan 0.000 0.495 540 R N 2.640 123.125 120.500 -0.024 0.000 2.490 540 R HA 0.367 4.706 4.340 -0.001 0.000 0.280 540 R C 0.165 176.486 176.300 0.037 0.000 1.077 540 R CA 0.228 56.293 56.100 -0.058 0.000 1.065 540 R CB 0.708 30.852 30.300 -0.261 0.000 1.003 540 R HN 0.437 nan 8.270 nan 0.000 0.470 541 T N -0.576 113.999 114.554 0.036 0.000 2.845 541 T HA 0.206 4.555 4.350 -0.001 0.000 0.288 541 T C 0.170 174.964 174.700 0.156 0.000 0.980 541 T CA -0.735 61.416 62.100 0.085 0.000 1.071 541 T CB 1.408 70.315 68.868 0.065 0.000 0.941 541 T HN 0.366 nan 8.240 nan 0.000 0.487 542 T N 4.604 119.265 114.554 0.178 0.000 2.832 542 T HA 0.348 4.697 4.350 -0.001 0.000 0.296 542 T C 0.559 175.361 174.700 0.170 0.000 0.968 542 T CA -0.459 61.770 62.100 0.214 0.000 1.107 542 T CB 0.077 69.037 68.868 0.153 0.000 0.916 542 T HN 0.596 nan 8.240 nan 0.000 0.517 543 I N 4.165 124.854 120.570 0.199 0.000 2.421 543 I HA 0.172 4.341 4.170 -0.001 0.000 0.291 543 I C 0.223 176.425 176.117 0.141 0.000 1.089 543 I CA 0.043 61.441 61.300 0.163 0.000 1.354 543 I CB 0.103 38.204 38.000 0.168 0.000 1.413 543 I HN 0.455 nan 8.210 nan 0.000 0.513 544 I N 8.057 128.696 120.570 0.115 0.000 2.297 544 I HA 0.325 4.494 4.170 -0.001 0.000 0.291 544 I C -0.157 176.020 176.117 0.100 0.000 1.033 544 I CA -0.202 61.157 61.300 0.099 0.000 1.253 544 I CB 0.528 38.574 38.000 0.077 0.000 1.396 544 I HN 0.393 nan 8.210 nan 0.000 0.476 545 L N 5.791 127.077 121.223 0.105 0.000 2.333 545 L HA 0.962 5.301 4.340 -0.001 0.000 0.269 545 L C 0.162 177.088 176.870 0.094 0.000 1.010 545 L CA -0.689 54.212 54.840 0.102 0.000 0.818 545 L CB 2.170 44.295 42.059 0.110 0.000 1.306 545 L HN 0.697 nan 8.230 nan 0.000 0.430 546 G N -0.026 108.826 108.800 0.086 0.000 2.442 546 G HA2 0.112 4.071 3.960 -0.001 0.000 0.296 546 G HA3 0.112 4.071 3.960 -0.001 0.000 0.296 546 G C -0.215 174.727 174.900 0.070 0.000 1.564 546 G CA -0.433 44.715 45.100 0.079 0.000 0.828 546 G HN 0.696 nan 8.290 nan 0.000 0.571 547 E N -0.242 119.997 120.200 0.065 0.000 2.160 547 E HA -0.134 4.215 4.350 -0.001 0.000 0.195 547 E C 0.622 177.250 176.600 0.047 0.000 0.991 547 E CA 1.409 57.842 56.400 0.054 0.000 0.810 547 E CB 0.138 29.866 29.700 0.047 0.000 0.742 547 E HN 0.422 nan 8.360 nan 0.000 0.466 548 D N -0.218 120.210 120.400 0.046 0.000 2.388 548 D HA 0.126 4.765 4.640 -0.001 0.000 0.221 548 D C 1.101 177.427 176.300 0.043 0.000 1.133 548 D CA 0.118 54.142 54.000 0.040 0.000 0.831 548 D CB 0.897 41.718 40.800 0.035 0.000 0.962 548 D HN 0.333 nan 8.370 nan 0.000 0.502 549 I N -0.923 119.677 120.570 0.051 0.000 4.147 549 I HA 0.114 4.284 4.170 -0.001 0.000 0.278 549 I C -1.383 174.772 176.117 0.063 0.000 1.133 549 I CA 0.054 61.386 61.300 0.053 0.000 1.317 549 I CB 1.245 39.277 38.000 0.053 0.000 1.688 549 I HN -0.177 nan 8.210 nan 0.000 0.432 550 L N 1.406 122.672 121.223 0.071 0.000 2.795 550 L HA 0.471 4.810 4.340 -0.001 0.000 0.260 550 L C -2.589 174.334 176.870 0.088 0.000 0.935 550 L CA -0.859 54.031 54.840 0.085 0.000 0.985 550 L CB 1.601 43.717 42.059 0.096 0.000 1.433 550 L HN -0.169 nan 8.230 nan 0.000 0.447 551 P HA 0.110 nan 4.420 nan 0.000 0.222 551 P C -0.543 176.810 177.300 0.088 0.000 1.153 551 P CA 0.830 63.979 63.100 0.081 0.000 0.798 551 P CB 0.362 32.103 31.700 0.069 0.000 0.796 552 S N -2.745 113.018 115.700 0.106 0.000 2.596 552 S HA 0.745 5.214 4.470 -0.001 0.000 0.270 552 S C -1.370 173.327 174.600 0.160 0.000 1.155 552 S CA -0.770 57.495 58.200 0.108 0.000 0.827 552 S CB 2.228 65.479 63.200 0.084 0.000 1.130 552 S HN -0.210 nan 8.310 nan 0.000 0.467 553 K N 0.700 121.196 120.400 0.160 0.000 2.513 553 K HA 0.423 4.742 4.320 -0.001 0.000 0.251 553 K C -1.638 175.107 176.600 0.242 0.000 0.939 553 K CA -0.291 56.139 56.287 0.239 0.000 0.793 553 K CB 1.089 33.694 32.500 0.175 0.000 1.241 553 K HN 0.866 nan 8.250 nan 0.000 0.431 554 H N 2.072 121.291 119.070 0.249 0.000 2.582 554 H HA 0.418 4.973 4.556 -0.001 0.000 0.345 554 H C -0.121 175.435 175.328 0.381 0.000 1.104 554 H CA -0.382 55.857 56.048 0.318 0.000 1.390 554 H CB 1.306 31.340 29.762 0.454 0.000 1.461 554 H HN 0.452 nan 8.280 nan 0.000 0.551 555 V N 0.813 120.981 119.914 0.423 0.000 2.914 555 V HA 0.651 4.771 4.120 -0.001 0.000 0.314 555 V C -0.505 175.923 176.094 0.556 0.000 1.084 555 V CA -0.817 61.733 62.300 0.417 0.000 0.963 555 V CB 1.989 33.805 31.823 -0.011 0.000 1.025 555 V HN 0.411 nan 8.190 nan 0.000 0.432 556 V N 3.897 124.160 119.914 0.582 0.000 2.638 556 V HA 0.631 4.751 4.120 -0.001 0.000 0.306 556 V C -0.458 175.989 176.094 0.588 0.000 1.052 556 V CA -0.368 62.239 62.300 0.512 0.000 0.885 556 V CB 1.828 33.806 31.823 0.258 0.000 0.999 556 V HN 0.943 nan 8.190 nan 0.000 0.424 557 M N 4.043 123.961 119.600 0.529 0.000 2.404 557 M HA 0.501 4.980 4.480 -0.001 0.000 0.338 557 M C -0.492 176.085 176.300 0.463 0.000 1.150 557 M CA -0.276 55.312 55.300 0.480 0.000 1.016 557 M CB 1.200 34.027 32.600 0.378 0.000 1.672 557 M HN 0.756 nan 8.290 nan 0.000 0.448 558 H N 1.855 121.155 119.070 0.383 0.000 2.492 558 H HA 0.488 5.043 4.556 -0.001 0.000 0.345 558 H C -1.365 174.102 175.328 0.232 0.000 1.136 558 H CA -0.594 55.645 56.048 0.319 0.000 1.202 558 H CB 1.239 31.261 29.762 0.435 0.000 1.524 558 H HN 0.643 nan 8.280 nan 0.000 0.506 559 N N 2.969 121.435 118.700 -0.390 0.000 2.569 559 N HA 0.044 4.783 4.740 -0.001 0.000 0.254 559 N C 0.306 175.483 175.510 -0.554 0.000 1.004 559 N CA -0.292 52.538 53.050 -0.367 0.000 0.904 559 N CB 1.605 39.988 38.487 -0.174 0.000 1.165 559 N HN 0.636 nan 8.380 nan 0.000 0.513 560 T N 2.858 117.142 114.554 -0.450 0.000 3.035 560 T HA 0.172 4.521 4.350 -0.001 0.000 0.268 560 T C 0.705 175.370 174.700 -0.058 0.000 1.109 560 T CA 0.528 62.533 62.100 -0.158 0.000 1.119 560 T CB -0.209 68.707 68.868 0.081 0.000 0.900 560 T HN 0.411 nan 8.240 nan 0.000 0.503 561 L N 2.681 123.814 121.223 -0.150 0.000 2.395 561 L HA 0.316 4.655 4.340 -0.001 0.000 0.269 561 L C -1.609 175.123 176.870 -0.229 0.000 1.133 561 L CA -1.953 52.764 54.840 -0.206 0.000 0.812 561 L CB 0.711 42.509 42.059 -0.435 0.000 1.125 561 L HN -0.047 nan 8.230 nan 0.000 0.452 562 P HA 0.057 nan 4.420 nan 0.000 0.243 562 P C -0.980 176.340 177.300 0.034 0.000 1.668 562 P CA 0.302 63.394 63.100 -0.014 0.000 0.898 562 P CB -0.341 31.403 31.700 0.073 0.000 1.637 563 H N -3.130 115.956 119.070 0.027 0.000 2.961 563 H HA 0.250 4.805 4.556 -0.001 0.000 0.371 563 H C -0.959 174.394 175.328 0.042 0.000 1.190 563 H CA -1.079 55.003 56.048 0.057 0.000 1.138 563 H CB 0.032 29.854 29.762 0.100 0.000 1.816 563 H HN -0.130 nan 8.280 nan 0.000 0.551 564 W N 1.617 123.029 121.300 0.187 0.000 2.231 564 W HA 0.245 4.904 4.660 -0.001 0.000 0.341 564 W C 0.803 177.430 176.519 0.180 0.000 1.298 564 W CA 0.339 57.761 57.345 0.129 0.000 1.266 564 W CB 0.448 29.969 29.460 0.101 0.000 1.172 564 W HN 0.308 nan 8.180 nan 0.000 0.568 565 R N 1.962 122.670 120.500 0.346 0.000 2.628 565 R HA 0.285 4.624 4.340 -0.001 0.000 0.288 565 R C -0.903 175.537 176.300 0.235 0.000 0.980 565 R CA -0.906 55.348 56.100 0.257 0.000 0.891 565 R CB 1.984 32.360 30.300 0.127 0.000 1.188 565 R HN 0.473 nan 8.270 nan 0.000 0.450 566 E N 2.309 122.619 120.200 0.183 0.000 2.183 566 E HA 0.239 4.588 4.350 -0.001 0.000 0.271 566 E C -1.088 175.561 176.600 0.082 0.000 0.919 566 E CA -0.635 55.850 56.400 0.141 0.000 0.781 566 E CB 2.664 32.441 29.700 0.127 0.000 1.140 566 E HN 0.329 nan 8.360 nan 0.000 0.402 567 Q N 3.477 123.303 119.800 0.043 0.000 2.386 567 Q HA 0.254 4.593 4.340 -0.001 0.000 0.274 567 Q C -1.474 174.488 176.000 -0.063 0.000 1.011 567 Q CA -0.624 55.176 55.803 -0.006 0.000 0.867 567 Q CB 1.517 30.244 28.738 -0.019 0.000 1.409 567 Q HN 0.572 nan 8.270 nan 0.000 0.395 568 L N 3.125 124.305 121.223 -0.071 0.000 2.453 568 L HA 0.308 4.647 4.340 -0.001 0.000 0.272 568 L C 0.242 176.984 176.870 -0.213 0.000 1.182 568 L CA -0.252 54.508 54.840 -0.132 0.000 0.858 568 L CB 0.585 42.602 42.059 -0.071 0.000 1.120 568 L HN 0.488 nan 8.230 nan 0.000 0.474 569 V N -0.506 119.180 119.914 -0.379 0.000 2.914 569 V HA 0.715 4.835 4.120 -0.001 0.000 0.314 569 V C -0.940 174.895 176.094 -0.433 0.000 1.084 569 V CA -0.860 61.175 62.300 -0.440 0.000 0.963 569 V CB 2.161 33.678 31.823 -0.511 0.000 1.025 569 V HN 0.795 nan 8.190 nan 0.000 0.432 570 D N 1.472 121.615 120.400 -0.427 0.000 2.671 570 D HA 0.633 5.273 4.640 -0.001 0.000 0.232 570 D C -1.399 174.605 176.300 -0.493 0.000 1.114 570 D CA -0.396 53.461 54.000 -0.239 0.000 0.858 570 D CB 2.412 43.162 40.800 -0.084 0.000 1.544 570 D HN 0.444 nan 8.370 nan 0.000 0.471 571 F N -0.132 119.880 119.950 0.103 0.000 2.613 571 F HA 0.360 4.886 4.527 -0.001 0.000 0.314 571 F C -0.538 175.419 175.800 0.261 0.000 1.075 571 F CA -1.033 57.039 58.000 0.121 0.000 0.945 571 F CB 1.514 40.629 39.000 0.192 0.000 1.310 571 F HN 0.154 nan 8.300 nan 0.000 0.467 572 Y N 1.942 122.398 120.300 0.259 0.000 2.304 572 Y HA 0.582 5.131 4.550 -0.001 0.000 0.328 572 Y C 0.182 176.202 175.900 0.200 0.000 1.123 572 Y CA -1.495 56.709 58.100 0.174 0.000 1.218 572 Y CB 1.030 39.546 38.460 0.092 0.000 1.207 572 Y HN 0.352 nan 8.280 nan 0.000 0.495 573 V N -0.526 119.583 119.914 0.326 0.000 3.007 573 V HA 0.559 4.679 4.120 -0.001 0.000 0.311 573 V C 0.273 176.500 176.094 0.222 0.000 1.120 573 V CA -0.790 61.664 62.300 0.256 0.000 0.980 573 V CB 1.693 33.669 31.823 0.254 0.000 1.033 573 V HN 0.663 nan 8.190 nan 0.000 0.429 574 S N 0.201 116.012 115.700 0.186 0.000 2.631 574 S HA 0.299 4.769 4.470 -0.001 0.000 0.217 574 S C 0.600 175.340 174.600 0.233 0.000 0.958 574 S CA 0.456 58.755 58.200 0.165 0.000 0.920 574 S CB -0.236 63.032 63.200 0.114 0.000 0.776 574 S HN 1.348 nan 8.310 nan 0.000 0.517 575 S N 1.287 117.129 115.700 0.238 0.000 2.546 575 S HA 0.593 5.062 4.470 -0.001 0.000 0.274 575 S C -2.560 171.953 174.600 -0.145 0.000 1.121 575 S CA -1.401 56.830 58.200 0.051 0.000 0.887 575 S CB 1.957 65.192 63.200 0.059 0.000 1.094 575 S HN 0.032 nan 8.310 nan 0.000 0.474 576 P HA 0.178 nan 4.420 nan 0.000 0.240 576 P C 0.010 177.189 177.300 -0.202 0.000 1.190 576 P CA 0.431 63.168 63.100 -0.606 0.000 0.781 576 P CB -0.140 30.904 31.700 -1.092 0.000 0.931 577 F N 0.770 120.743 119.950 0.039 0.000 2.606 577 F HA 0.253 4.780 4.527 -0.001 0.000 0.347 577 F C 0.341 176.186 175.800 0.075 0.000 1.207 577 F CA -0.825 57.219 58.000 0.073 0.000 1.306 577 F CB 0.229 39.237 39.000 0.013 0.000 1.657 577 F HN -0.341 nan 8.300 nan 0.000 0.606 578 V N 0.787 120.836 119.914 0.225 0.000 2.656 578 V HA 0.526 4.645 4.120 -0.001 0.000 0.307 578 V C -0.294 175.866 176.094 0.110 0.000 1.051 578 V CA -0.776 61.613 62.300 0.148 0.000 0.893 578 V CB 2.251 34.154 31.823 0.133 0.000 0.999 578 V HN 0.463 nan 8.190 nan 0.000 0.426 579 S N 2.897 118.642 115.700 0.075 0.000 2.599 579 S HA 0.890 5.359 4.470 -0.001 0.000 0.294 579 S C -0.966 173.617 174.600 -0.028 0.000 1.094 579 S CA -0.839 57.385 58.200 0.040 0.000 0.931 579 S CB 2.087 65.326 63.200 0.066 0.000 1.093 579 S HN 0.436 nan 8.310 nan 0.000 0.488 580 V N 1.889 121.750 119.914 -0.089 0.000 2.555 580 V HA 0.805 4.924 4.120 -0.001 0.000 0.302 580 V C 0.076 176.084 176.094 -0.143 0.000 1.038 580 V CA -0.455 61.715 62.300 -0.217 0.000 0.887 580 V CB 1.472 32.979 31.823 -0.526 0.000 0.991 580 V HN 1.201 nan 8.190 nan 0.000 0.434 581 T N -0.405 114.084 114.554 -0.109 0.000 2.906 581 T HA 0.651 5.000 4.350 -0.001 0.000 0.295 581 T C -0.826 173.862 174.700 -0.020 0.000 1.075 581 T CA -0.901 61.160 62.100 -0.064 0.000 1.005 581 T CB 2.091 70.913 68.868 -0.078 0.000 1.136 581 T HN 0.715 nan 8.240 nan 0.000 0.498 582 D N 0.524 120.886 120.400 -0.064 0.000 2.451 582 D HA 0.215 4.854 4.640 -0.001 0.000 0.259 582 D C 0.696 176.869 176.300 -0.212 0.000 1.201 582 D CA -1.176 52.673 54.000 -0.252 0.000 1.028 582 D CB 0.341 40.992 40.800 -0.249 0.000 1.095 582 D HN 0.329 nan 8.370 nan 0.000 0.539 583 L N -0.502 120.579 121.223 -0.238 0.000 2.627 583 L HA 0.321 4.660 4.340 -0.001 0.000 0.232 583 L C 1.486 178.284 176.870 -0.120 0.000 1.150 583 L CA 0.406 55.149 54.840 -0.162 0.000 0.917 583 L CB -0.957 41.014 42.059 -0.147 0.000 1.104 583 L HN 0.632 nan 8.230 nan 0.000 0.445 584 A N -1.014 121.741 122.820 -0.109 0.000 2.379 584 A HA 0.180 4.500 4.320 -0.001 0.000 0.236 584 A C 1.150 178.692 177.584 -0.070 0.000 1.272 584 A CA 0.233 52.223 52.037 -0.079 0.000 0.886 584 A CB -0.525 18.435 19.000 -0.066 0.000 0.962 584 A HN 0.457 nan 8.150 nan 0.000 0.504 585 N N 0.124 118.776 118.700 -0.080 0.000 2.741 585 N HA -0.141 4.599 4.740 -0.001 0.000 0.251 585 N C -1.014 174.457 175.510 -0.065 0.000 1.112 585 N CA 0.835 53.844 53.050 -0.068 0.000 0.750 585 N CB -1.746 36.710 38.487 -0.052 0.000 1.119 585 N HN 0.566 nan 8.380 nan 0.000 0.561 586 N N 1.100 119.757 118.700 -0.071 0.000 2.488 586 N HA 0.254 4.994 4.740 -0.001 0.000 0.274 586 N C -2.485 172.965 175.510 -0.101 0.000 1.111 586 N CA -0.856 52.149 53.050 -0.076 0.000 0.974 586 N CB 0.601 39.053 38.487 -0.058 0.000 1.089 586 N HN 0.222 nan 8.380 nan 0.000 0.465 587 P HA 0.053 nan 4.420 nan 0.000 0.269 587 P C -0.440 176.730 177.300 -0.217 0.000 1.209 587 P CA -0.059 62.875 63.100 -0.276 0.000 0.776 587 P CB 0.686 31.967 31.700 -0.699 0.000 0.876 588 V N 3.268 123.098 119.914 -0.140 0.000 2.487 588 V HA 0.182 4.301 4.120 -0.001 0.000 0.298 588 V C 0.335 176.420 176.094 -0.016 0.000 1.028 588 V CA -0.807 61.465 62.300 -0.046 0.000 0.860 588 V CB 1.532 33.349 31.823 -0.010 0.000 0.991 588 V HN 0.439 nan 8.190 nan 0.000 0.427 589 E N 3.123 123.350 120.200 0.045 0.000 2.414 589 E HA 0.505 4.855 4.350 -0.001 0.000 0.263 589 E C 0.073 176.742 176.600 0.115 0.000 1.000 589 E CA 0.200 56.660 56.400 0.100 0.000 0.914 589 E CB 1.485 31.249 29.700 0.108 0.000 0.948 589 E HN 0.835 nan 8.360 nan 0.000 0.444 590 A N 2.893 125.771 122.820 0.097 0.000 2.515 590 A HA 0.519 4.838 4.320 -0.001 0.000 0.296 590 A C -0.946 176.658 177.584 0.033 0.000 1.094 590 A CA -0.686 51.419 52.037 0.112 0.000 0.718 590 A CB 1.892 20.954 19.000 0.103 0.000 1.307 590 A HN 0.530 nan 8.150 nan 0.000 0.408 591 Q N 0.890 120.718 119.800 0.046 0.000 2.337 591 Q HA 0.649 4.989 4.340 -0.001 0.000 0.270 591 Q C -1.971 174.029 176.000 0.001 0.000 1.043 591 Q CA -0.545 55.246 55.803 -0.020 0.000 0.794 591 Q CB 2.133 30.896 28.738 0.043 0.000 1.281 591 Q HN 0.580 nan 8.270 nan 0.000 0.446 592 V N 2.625 122.475 119.914 -0.107 0.000 2.483 592 V HA 0.584 4.703 4.120 -0.001 0.000 0.295 592 V C -0.517 175.756 176.094 0.299 0.000 1.035 592 V CA -0.307 62.039 62.300 0.077 0.000 0.896 592 V CB 1.851 33.690 31.823 0.027 0.000 0.986 592 V HN 0.852 nan 8.190 nan 0.000 0.447 593 S N 4.907 120.812 115.700 0.341 0.000 2.632 593 S HA 0.683 5.152 4.470 -0.001 0.000 0.289 593 S C -2.804 171.863 174.600 0.111 0.000 1.115 593 S CA -1.175 57.206 58.200 0.302 0.000 0.889 593 S CB 2.413 65.742 63.200 0.214 0.000 1.116 593 S HN 0.538 nan 8.310 nan 0.000 0.486 594 P HA 0.238 nan 4.420 nan 0.000 0.272 594 P C -1.132 175.847 177.300 -0.535 0.000 1.240 594 P CA -0.482 62.233 63.100 -0.641 0.000 0.791 594 P CB 0.358 31.263 31.700 -1.325 0.000 0.978 595 V N 2.045 121.578 119.914 -0.635 0.000 2.334 595 V HA 0.184 4.304 4.120 -0.001 0.000 0.267 595 V C -0.495 175.308 176.094 -0.484 0.000 1.040 595 V CA -0.168 61.837 62.300 -0.490 0.000 0.866 595 V CB -0.556 30.884 31.823 -0.638 0.000 1.019 595 V HN 0.521 nan 8.190 nan 0.000 0.468 596 W N 3.408 124.626 121.300 -0.137 0.000 2.478 596 W HA 0.640 5.300 4.660 -0.001 0.000 0.318 596 W C 0.357 176.811 176.519 -0.110 0.000 1.062 596 W CA -0.431 56.820 57.345 -0.156 0.000 1.210 596 W CB 1.908 31.281 29.460 -0.146 0.000 1.325 596 W HN 0.562 nan 8.180 nan 0.000 0.496 597 S N 1.333 117.090 115.700 0.094 0.000 2.526 597 S HA 0.593 5.062 4.470 -0.001 0.000 0.293 597 S C -1.448 172.984 174.600 -0.281 0.000 1.092 597 S CA -0.970 57.219 58.200 -0.018 0.000 0.980 597 S CB 1.163 64.337 63.200 -0.043 0.000 1.048 597 S HN 0.413 nan 8.310 nan 0.000 0.483 598 W N 1.799 122.884 121.300 -0.358 0.000 2.469 598 W HA 0.539 5.198 4.660 -0.001 0.000 0.320 598 W C 0.422 176.543 176.519 -0.663 0.000 1.086 598 W CA -0.185 56.945 57.345 -0.360 0.000 1.211 598 W CB 0.913 30.266 29.460 -0.179 0.000 1.298 598 W HN 0.624 nan 8.180 nan 0.000 0.525 599 H N 1.323 120.410 119.070 0.027 0.000 2.717 599 H HA 0.118 4.673 4.556 -0.001 0.000 0.366 599 H C -1.121 174.225 175.328 0.030 0.000 1.132 599 H CA -0.949 55.074 56.048 -0.042 0.000 1.180 599 H CB 2.006 31.644 29.762 -0.208 0.000 1.678 599 H HN 0.402 nan 8.280 nan 0.000 0.537 600 H N 2.149 121.293 119.070 0.124 0.000 2.872 600 H HA 0.050 4.606 4.556 -0.001 0.000 0.273 600 H C -0.516 174.886 175.328 0.123 0.000 1.205 600 H CA -0.453 55.663 56.048 0.115 0.000 1.342 600 H CB 0.087 29.895 29.762 0.077 0.000 1.469 600 H HN 0.419 nan 8.280 nan 0.000 0.487 601 D N 3.839 124.060 120.400 -0.300 0.000 2.398 601 D HA -0.058 4.582 4.640 -0.001 0.000 0.250 601 D C 1.051 177.042 176.300 -0.515 0.000 1.287 601 D CA 0.322 54.194 54.000 -0.213 0.000 0.992 601 D CB 0.423 41.316 40.800 0.155 0.000 1.071 601 D HN 0.789 nan 8.370 nan 0.000 0.514 602 T N 0.999 115.295 114.554 -0.430 0.000 3.051 602 T HA -0.087 4.263 4.350 -0.001 0.000 0.269 602 T C 1.772 176.420 174.700 -0.088 0.000 1.127 602 T CA 0.168 62.128 62.100 -0.232 0.000 1.107 602 T CB 0.156 69.005 68.868 -0.031 0.000 0.898 602 T HN 0.263 nan 8.240 nan 0.000 0.517 603 L N 2.031 123.209 121.223 -0.074 0.000 2.202 603 L HA 0.126 4.465 4.340 -0.001 0.000 0.205 603 L C 2.873 179.726 176.870 -0.029 0.000 1.083 603 L CA 1.937 56.756 54.840 -0.034 0.000 0.790 603 L CB -1.461 40.582 42.059 -0.027 0.000 0.942 603 L HN 0.579 nan 8.230 nan 0.000 0.452 604 T N -4.485 110.046 114.554 -0.039 0.000 3.065 604 T HA 0.020 4.369 4.350 -0.001 0.000 0.252 604 T C 0.811 175.514 174.700 0.004 0.000 1.099 604 T CA -0.208 61.877 62.100 -0.025 0.000 1.063 604 T CB 0.170 69.008 68.868 -0.050 0.000 0.948 604 T HN 0.047 nan 8.240 nan 0.000 0.506 605 K N 2.142 122.541 120.400 -0.002 0.000 3.096 605 K HA -0.125 4.194 4.320 -0.001 0.000 0.266 605 K C 0.113 176.814 176.600 0.168 0.000 1.043 605 K CA 1.256 57.608 56.287 0.107 0.000 0.758 605 K CB -2.804 29.765 32.500 0.116 0.000 1.260 605 K HN 0.879 nan 8.250 nan 0.000 0.481 606 T N -2.812 111.825 114.554 0.140 0.000 2.916 606 T HA 0.800 5.149 4.350 -0.001 0.000 0.292 606 T C 0.288 175.200 174.700 0.353 0.000 1.055 606 T CA -1.061 61.173 62.100 0.222 0.000 1.009 606 T CB 2.240 71.195 68.868 0.145 0.000 1.118 606 T HN 0.144 nan 8.240 nan 0.000 0.497 607 I N 4.015 124.810 120.570 0.376 0.000 2.330 607 I HA 0.454 4.624 4.170 -0.001 0.000 0.289 607 I C 0.081 176.512 176.117 0.524 0.000 1.001 607 I CA -0.728 60.823 61.300 0.418 0.000 1.193 607 I CB 0.623 38.814 38.000 0.318 0.000 1.345 607 I HN 0.788 nan 8.210 nan 0.000 0.461 608 H N 6.387 125.640 119.070 0.306 0.000 3.017 608 H HA 0.588 5.143 4.556 -0.001 0.000 0.346 608 H C -3.331 171.832 175.328 -0.275 0.000 1.286 608 H CA -2.541 53.527 56.048 0.034 0.000 1.120 608 H CB 1.935 31.702 29.762 0.010 0.000 1.860 608 H HN 0.163 nan 8.280 nan 0.000 0.542 609 P HA 0.258 nan 4.420 nan 0.000 0.290 609 P C -0.739 176.473 177.300 -0.147 0.000 1.275 609 P CA -0.621 61.950 63.100 -0.881 0.000 0.841 609 P CB 2.143 32.946 31.700 -1.496 0.000 1.042 610 Q N 0.497 120.340 119.800 0.071 0.000 2.375 610 Q HA 0.591 4.931 4.340 -0.001 0.000 0.271 610 Q C -0.031 176.066 176.000 0.160 0.000 1.074 610 Q CA -0.528 55.381 55.803 0.177 0.000 0.808 610 Q CB 2.841 31.616 28.738 0.061 0.000 1.327 610 Q HN 0.629 nan 8.270 nan 0.000 0.441 611 G N 0.515 109.276 108.800 -0.065 0.000 2.389 611 G HA2 0.380 4.339 3.960 -0.001 0.000 0.328 611 G HA3 0.380 4.339 3.960 -0.001 0.000 0.328 611 G C -0.440 174.212 174.900 -0.413 0.000 1.133 611 G CA -0.293 44.450 45.100 -0.595 0.000 0.891 611 G HN 0.416 nan 8.290 nan 0.000 0.485 612 S N -0.811 114.587 115.700 -0.504 0.000 2.580 612 S HA 0.340 4.809 4.470 -0.001 0.000 0.274 612 S C 1.558 175.909 174.600 -0.415 0.000 1.329 612 S CA 0.221 58.168 58.200 -0.423 0.000 1.036 612 S CB 0.737 63.631 63.200 -0.510 0.000 0.919 612 S HN 0.897 nan 8.310 nan 0.000 0.515 613 T N -0.237 114.151 114.554 -0.277 0.000 3.145 613 T HA 0.182 4.531 4.350 -0.001 0.000 0.255 613 T C 0.961 175.581 174.700 -0.135 0.000 1.039 613 T CA 0.426 62.431 62.100 -0.158 0.000 0.928 613 T CB -0.207 68.617 68.868 -0.073 0.000 1.029 613 T HN 0.689 nan 8.240 nan 0.000 0.554 614 T N -1.687 112.689 114.554 -0.295 0.000 3.131 614 T HA 0.308 4.658 4.350 -0.001 0.000 0.283 614 T C 0.086 174.569 174.700 -0.361 0.000 0.906 614 T CA -0.569 61.404 62.100 -0.211 0.000 0.882 614 T CB 0.131 68.923 68.868 -0.126 0.000 1.208 614 T HN 0.634 nan 8.240 nan 0.000 0.561 615 K N 0.067 120.016 120.400 -0.750 0.000 2.508 615 K HA 0.687 5.006 4.320 -0.001 0.000 0.260 615 K C -2.076 173.834 176.600 -1.150 0.000 0.949 615 K CA -1.004 54.880 56.287 -0.671 0.000 0.834 615 K CB 1.868 34.141 32.500 -0.378 0.000 1.365 615 K HN 0.143 nan 8.250 nan 0.000 0.437 616 Y N -0.138 120.073 120.300 -0.148 0.000 2.581 616 Y HA 0.469 5.018 4.550 -0.001 0.000 0.345 616 Y C -0.369 175.536 175.900 0.007 0.000 1.036 616 Y CA -1.149 56.898 58.100 -0.088 0.000 1.042 616 Y CB 2.476 40.954 38.460 0.030 0.000 1.289 616 Y HN 0.370 nan 8.280 nan 0.000 0.471 617 R N 1.841 122.464 120.500 0.205 0.000 2.294 617 R HA 0.587 4.926 4.340 -0.001 0.000 0.319 617 R C -1.309 175.160 176.300 0.281 0.000 0.984 617 R CA -0.666 55.602 56.100 0.281 0.000 0.861 617 R CB 1.536 31.982 30.300 0.243 0.000 1.104 617 R HN 0.671 nan 8.270 nan 0.000 0.451 618 I N 4.569 125.327 120.570 0.314 0.000 2.441 618 I HA 0.435 4.604 4.170 -0.001 0.000 0.295 618 I C -1.103 175.201 176.117 0.311 0.000 0.994 618 I CA -0.796 60.680 61.300 0.294 0.000 1.144 618 I CB 1.139 39.325 38.000 0.310 0.000 1.314 618 I HN 0.542 nan 8.210 nan 0.000 0.445 619 I N 8.048 128.769 120.570 0.252 0.000 2.545 619 I HA 0.534 4.703 4.170 -0.001 0.000 0.292 619 I C -0.969 175.299 176.117 0.252 0.000 1.040 619 I CA -0.516 60.881 61.300 0.162 0.000 1.068 619 I CB 1.731 39.789 38.000 0.095 0.000 1.251 619 I HN 0.508 nan 8.210 nan 0.000 0.424 620 F N 2.418 122.394 119.950 0.044 0.000 2.713 620 F HA 0.574 5.101 4.527 -0.001 0.000 0.311 620 F C -1.090 174.695 175.800 -0.025 0.000 1.141 620 F CA -1.312 56.692 58.000 0.006 0.000 0.939 620 F CB 1.322 40.314 39.000 -0.013 0.000 1.325 620 F HN 0.212 nan 8.300 nan 0.000 0.453 621 K N 1.955 122.440 120.400 0.142 0.000 2.285 621 K HA 0.720 5.039 4.320 -0.001 0.000 0.286 621 K C -0.630 176.015 176.600 0.076 0.000 1.072 621 K CA -0.325 55.989 56.287 0.044 0.000 0.913 621 K CB 0.814 33.371 32.500 0.096 0.000 1.067 621 K HN 0.913 nan 8.250 nan 0.000 0.479 622 A N 4.689 127.464 122.820 -0.076 0.000 2.309 622 A HA 0.370 4.689 4.320 -0.001 0.000 0.298 622 A C -0.596 177.118 177.584 0.217 0.000 1.165 622 A CA -0.648 51.406 52.037 0.029 0.000 0.821 622 A CB 0.601 19.581 19.000 -0.034 0.000 1.102 622 A HN 0.875 nan 8.150 nan 0.000 0.500 623 R N 2.333 123.072 120.500 0.399 0.000 2.360 623 R HA 0.599 4.938 4.340 -0.001 0.000 0.318 623 R C -1.869 174.699 176.300 0.447 0.000 0.950 623 R CA -0.225 56.105 56.100 0.383 0.000 0.837 623 R CB 1.158 31.662 30.300 0.339 0.000 1.165 623 R HN 0.481 nan 8.270 nan 0.000 0.458 624 V N 6.398 126.537 119.914 0.375 0.000 2.638 624 V HA 0.442 4.561 4.120 -0.001 0.000 0.306 624 V C -2.255 173.766 176.094 -0.122 0.000 1.052 624 V CA -2.294 60.121 62.300 0.192 0.000 0.885 624 V CB 1.893 33.798 31.823 0.136 0.000 0.999 624 V HN 0.791 nan 8.190 nan 0.000 0.424 625 P HA 0.230 nan 4.420 nan 0.000 0.271 625 P C -2.745 174.082 177.300 -0.789 0.000 1.244 625 P CA -1.412 60.819 63.100 -1.448 0.000 0.793 625 P CB -0.259 30.768 31.700 -1.123 0.000 0.984 626 P HA 0.080 nan 4.420 nan 0.000 0.264 626 P C 0.105 177.364 177.300 -0.068 0.000 1.193 626 P CA 0.608 63.521 63.100 -0.312 0.000 0.763 626 P CB -0.254 31.323 31.700 -0.205 0.000 0.810 627 M N 0.217 119.822 119.600 0.009 0.000 2.253 627 M HA -0.214 4.265 4.480 -0.001 0.000 0.199 627 M C 0.569 177.073 176.300 0.340 0.000 0.342 627 M CA 1.013 56.460 55.300 0.246 0.000 0.417 627 M CB -2.061 30.771 32.600 0.386 0.000 1.338 627 M HN 0.592 nan 8.290 nan 0.000 0.920 628 G N -0.211 108.644 108.800 0.091 0.000 3.022 628 G HA2 0.938 4.897 3.960 -0.001 0.000 0.284 628 G HA3 0.938 4.897 3.960 -0.001 0.000 0.284 628 G C -1.337 173.691 174.900 0.214 0.000 1.375 628 G CA -0.969 44.149 45.100 0.030 0.000 0.902 628 G HN 0.178 nan 8.290 nan 0.000 0.538 629 L N -0.563 120.771 121.223 0.185 0.000 2.409 629 L HA 0.808 5.147 4.340 -0.001 0.000 0.262 629 L C -0.254 176.716 176.870 0.167 0.000 0.992 629 L CA -1.039 53.944 54.840 0.240 0.000 0.817 629 L CB 2.480 44.689 42.059 0.251 0.000 1.350 629 L HN 0.778 nan 8.230 nan 0.000 0.411 630 A N 0.716 123.675 122.820 0.232 0.000 2.455 630 A HA 0.818 5.137 4.320 -0.001 0.000 0.300 630 A C -0.839 176.901 177.584 0.261 0.000 1.040 630 A CA -0.450 51.710 52.037 0.204 0.000 0.697 630 A CB 1.799 20.971 19.000 0.286 0.000 1.265 630 A HN 0.553 nan 8.150 nan 0.000 0.407 631 T N 2.010 116.616 114.554 0.086 0.000 2.824 631 T HA 0.658 5.007 4.350 -0.001 0.000 0.280 631 T C -1.109 173.516 174.700 -0.124 0.000 0.995 631 T CA 0.194 62.387 62.100 0.155 0.000 1.009 631 T CB 0.400 69.357 68.868 0.149 0.000 0.955 631 T HN 0.435 nan 8.240 nan 0.000 0.452 632 Y N 0.345 120.740 120.300 0.158 0.000 2.605 632 Y HA 0.667 5.216 4.550 -0.001 0.000 0.343 632 Y C -0.342 175.495 175.900 -0.105 0.000 1.036 632 Y CA -1.142 56.968 58.100 0.016 0.000 1.065 632 Y CB 1.754 40.243 38.460 0.049 0.000 1.288 632 Y HN 0.311 nan 8.280 nan 0.000 0.481 633 V N 3.264 123.143 119.914 -0.058 0.000 2.588 633 V HA 0.439 4.558 4.120 -0.001 0.000 0.304 633 V C -0.774 175.254 176.094 -0.111 0.000 1.042 633 V CA -0.965 61.230 62.300 -0.175 0.000 0.877 633 V CB 1.757 33.408 31.823 -0.288 0.000 0.996 633 V HN 0.497 nan 8.190 nan 0.000 0.425 634 L N 3.947 125.130 121.223 -0.068 0.000 2.287 634 L HA 0.681 5.020 4.340 -0.001 0.000 0.287 634 L C -0.112 176.766 176.870 0.014 0.000 1.022 634 L CA -0.129 54.691 54.840 -0.034 0.000 0.814 634 L CB 1.702 43.755 42.059 -0.010 0.000 1.217 634 L HN 0.601 nan 8.230 nan 0.000 0.420 635 T N 3.668 118.236 114.554 0.023 0.000 2.861 635 T HA 0.474 4.823 4.350 -0.001 0.000 0.287 635 T C -0.214 174.530 174.700 0.074 0.000 1.003 635 T CA -0.389 61.739 62.100 0.046 0.000 0.977 635 T CB 2.450 71.335 68.868 0.029 0.000 0.996 635 T HN 0.387 nan 8.240 nan 0.000 0.448 636 I N 2.926 123.549 120.570 0.088 0.000 2.612 636 I HA 0.576 4.745 4.170 -0.001 0.000 0.295 636 I C 0.187 176.366 176.117 0.103 0.000 1.011 636 I CA 0.123 61.491 61.300 0.114 0.000 1.326 636 I CB 0.824 38.895 38.000 0.117 0.000 1.427 636 I HN 0.839 nan 8.210 nan 0.000 0.537 637 S N 3.448 119.226 115.700 0.131 0.000 2.651 637 S HA 0.385 4.854 4.470 -0.001 0.000 0.279 637 S C -0.197 174.443 174.600 0.067 0.000 1.148 637 S CA -0.838 57.409 58.200 0.077 0.000 0.837 637 S CB 1.602 64.830 63.200 0.046 0.000 1.138 637 S HN 0.654 nan 8.310 nan 0.000 0.478 638 D N 0.904 121.285 120.400 -0.031 0.000 2.355 638 D HA 0.129 4.769 4.640 -0.001 0.000 0.218 638 D C 0.882 176.964 176.300 -0.365 0.000 1.004 638 D CA 0.762 54.710 54.000 -0.087 0.000 0.880 638 D CB -0.017 40.742 40.800 -0.067 0.000 0.911 638 D HN 0.666 nan 8.370 nan 0.000 0.528 639 S N -0.835 114.545 115.700 -0.534 0.000 2.643 639 S HA 0.286 4.756 4.470 -0.001 0.000 0.270 639 S C -0.823 173.363 174.600 -0.690 0.000 1.166 639 S CA -1.156 56.481 58.200 -0.939 0.000 0.815 639 S CB 1.981 64.891 63.200 -0.483 0.000 1.139 639 S HN -0.165 nan 8.310 nan 0.000 0.472 640 K N 1.920 121.986 120.400 -0.558 0.000 2.466 640 K HA 0.198 4.517 4.320 -0.001 0.000 0.278 640 K C -2.362 174.256 176.600 0.029 0.000 1.048 640 K CA -0.586 55.694 56.287 -0.012 0.000 1.088 640 K CB -0.492 32.037 32.500 0.049 0.000 0.884 640 K HN 0.392 nan 8.250 nan 0.000 0.478 641 P HA 0.007 nan 4.420 nan 0.000 0.274 641 P C 0.455 177.774 177.300 0.032 0.000 1.237 641 P CA -0.346 62.796 63.100 0.071 0.000 0.793 641 P CB 0.736 32.501 31.700 0.107 0.000 0.977 642 E N 0.823 121.001 120.200 -0.036 0.000 2.153 642 E HA -0.220 4.129 4.350 -0.001 0.000 0.194 642 E C 0.417 176.843 176.600 -0.290 0.000 0.988 642 E CA 1.114 57.398 56.400 -0.192 0.000 0.811 642 E CB -0.041 29.466 29.700 -0.321 0.000 0.746 642 E HN 0.466 nan 8.360 nan 0.000 0.466 643 H N -0.502 118.579 119.070 0.018 0.000 2.486 643 H HA 0.234 4.790 4.556 -0.001 0.000 0.284 643 H C -0.497 174.827 175.328 -0.007 0.000 1.103 643 H CA 0.112 56.165 56.048 0.009 0.000 1.089 643 H CB 0.820 30.586 29.762 0.008 0.000 1.603 643 H HN -0.047 nan 8.280 nan 0.000 0.557 644 T N 1.501 116.081 114.554 0.043 0.000 2.812 644 T HA 0.309 4.658 4.350 -0.001 0.000 0.282 644 T C 0.340 174.922 174.700 -0.196 0.000 0.990 644 T CA -0.682 61.372 62.100 -0.076 0.000 0.960 644 T CB 2.112 70.931 68.868 -0.082 0.000 0.948 644 T HN 0.271 nan 8.240 nan 0.000 0.438 645 S N 2.403 117.944 115.700 -0.266 0.000 2.718 645 S HA 0.779 5.248 4.470 -0.001 0.000 0.300 645 S C -1.354 172.891 174.600 -0.592 0.000 1.117 645 S CA -0.808 57.245 58.200 -0.245 0.000 1.002 645 S CB 0.860 64.031 63.200 -0.047 0.000 1.092 645 S HN 0.581 nan 8.310 nan 0.000 0.542 646 Y N -0.042 120.269 120.300 0.018 0.000 2.391 646 Y HA 0.646 5.195 4.550 -0.001 0.000 0.341 646 Y C 0.557 176.514 175.900 0.095 0.000 0.965 646 Y CA -0.797 57.302 58.100 -0.002 0.000 1.067 646 Y CB 1.711 40.039 38.460 -0.221 0.000 1.199 646 Y HN 1.035 nan 8.280 nan 0.000 0.450 647 A N 2.090 125.104 122.820 0.323 0.000 2.407 647 A HA 0.518 4.837 4.320 -0.001 0.000 0.248 647 A C 0.114 177.899 177.584 0.334 0.000 1.082 647 A CA -0.371 51.838 52.037 0.288 0.000 0.785 647 A CB 0.136 19.305 19.000 0.280 0.000 1.020 647 A HN 0.707 nan 8.150 nan 0.000 0.489 648 S N 1.239 117.071 115.700 0.220 0.000 2.617 648 S HA 0.400 4.869 4.470 -0.001 0.000 0.269 648 S C -0.053 174.648 174.600 0.169 0.000 1.292 648 S CA -0.648 57.664 58.200 0.187 0.000 1.010 648 S CB 0.390 63.659 63.200 0.115 0.000 0.944 648 S HN 0.739 nan 8.310 nan 0.000 0.536 649 N N 0.927 119.704 118.700 0.128 0.000 2.336 649 N HA 0.461 5.201 4.740 -0.001 0.000 0.290 649 N C -1.891 173.573 175.510 -0.077 0.000 1.058 649 N CA -0.558 52.530 53.050 0.062 0.000 0.865 649 N CB 2.229 40.843 38.487 0.212 0.000 1.581 649 N HN 0.338 nan 8.380 nan 0.000 0.480 650 L N 2.423 123.555 121.223 -0.152 0.000 2.406 650 L HA 0.513 4.852 4.340 -0.001 0.000 0.272 650 L C -1.534 175.187 176.870 -0.249 0.000 0.980 650 L CA -0.479 54.240 54.840 -0.200 0.000 0.831 650 L CB 1.542 43.538 42.059 -0.105 0.000 1.253 650 L HN 0.459 nan 8.230 nan 0.000 0.406 651 L N 6.471 127.500 121.223 -0.324 0.000 2.265 651 L HA 0.481 4.820 4.340 -0.001 0.000 0.289 651 L C -1.191 175.661 176.870 -0.031 0.000 1.033 651 L CA -0.516 54.198 54.840 -0.210 0.000 0.814 651 L CB 1.338 43.274 42.059 -0.206 0.000 1.203 651 L HN 0.673 nan 8.230 nan 0.000 0.423 652 L N 6.557 127.779 121.223 -0.003 0.000 2.276 652 L HA 0.561 4.901 4.340 -0.001 0.000 0.286 652 L C -0.403 176.510 176.870 0.072 0.000 1.024 652 L CA -0.545 54.323 54.840 0.045 0.000 0.826 652 L CB 1.231 43.308 42.059 0.029 0.000 1.211 652 L HN 0.652 nan 8.230 nan 0.000 0.422 653 R N 2.162 122.714 120.500 0.088 0.000 2.728 653 R HA 0.401 4.740 4.340 -0.001 0.000 0.259 653 R C -1.709 174.628 176.300 0.062 0.000 1.057 653 R CA -0.958 55.188 56.100 0.076 0.000 0.908 653 R CB 1.051 31.398 30.300 0.078 0.000 1.259 653 R HN 0.164 nan 8.270 nan 0.000 0.472 654 K N 1.451 121.876 120.400 0.043 0.000 2.138 654 K HA 0.151 4.470 4.320 -0.001 0.000 0.251 654 K C -0.131 176.470 176.600 0.003 0.000 1.015 654 K CA -0.124 56.178 56.287 0.025 0.000 0.917 654 K CB 0.367 32.879 32.500 0.021 0.000 1.021 654 K HN 0.880 nan 8.250 nan 0.000 0.485 655 N N 1.037 119.727 118.700 -0.017 0.000 2.725 655 N HA -0.131 4.609 4.740 -0.001 0.000 0.251 655 N C -2.322 173.142 175.510 -0.077 0.000 1.031 655 N CA -0.454 52.568 53.050 -0.047 0.000 0.720 655 N CB -0.319 38.142 38.487 -0.042 0.000 0.930 655 N HN 0.372 nan 8.380 nan 0.000 0.543 656 P HA 0.189 nan 4.420 nan 0.000 0.276 656 P C -0.240 176.901 177.300 -0.266 0.000 1.252 656 P CA 0.055 63.060 63.100 -0.158 0.000 0.802 656 P CB 1.249 32.828 31.700 -0.201 0.000 1.035 657 T N -2.944 111.454 114.554 -0.260 0.000 2.926 657 T HA 0.504 4.854 4.350 -0.001 0.000 0.289 657 T C 0.272 174.808 174.700 -0.274 0.000 1.054 657 T CA -0.739 61.210 62.100 -0.252 0.000 1.015 657 T CB 0.636 69.417 68.868 -0.145 0.000 1.167 657 T HN 0.480 nan 8.240 nan 0.000 0.526 658 S N 0.515 116.106 115.700 -0.182 0.000 2.584 658 S HA 0.469 4.938 4.470 -0.001 0.000 0.270 658 S C -0.195 174.504 174.600 0.166 0.000 1.346 658 S CA -0.823 57.364 58.200 -0.021 0.000 1.018 658 S CB -0.292 62.905 63.200 -0.004 0.000 0.899 658 S HN 0.693 nan 8.310 nan 0.000 0.542 659 L N 2.021 123.436 121.223 0.320 0.000 2.481 659 L HA 0.379 4.719 4.340 -0.001 0.000 0.255 659 L C -2.508 174.469 176.870 0.178 0.000 1.192 659 L CA -1.669 53.339 54.840 0.280 0.000 0.924 659 L CB 1.474 43.779 42.059 0.409 0.000 1.179 659 L HN 0.547 nan 8.230 nan 0.000 0.491 660 P HA 0.206 nan 4.420 nan 0.000 0.272 660 P C 0.026 177.323 177.300 -0.005 0.000 1.223 660 P CA -0.139 62.996 63.100 0.057 0.000 0.784 660 P CB 1.342 33.064 31.700 0.036 0.000 0.923 661 L N 0.766 121.995 121.223 0.010 0.000 3.366 661 L HA 0.290 4.630 4.340 -0.001 0.000 0.304 661 L C 1.293 178.223 176.870 0.100 0.000 1.292 661 L CA -0.060 54.762 54.840 -0.029 0.000 1.012 661 L CB -0.002 42.020 42.059 -0.062 0.000 1.414 661 L HN 0.740 nan 8.230 nan 0.000 0.603 662 G N 0.699 109.541 108.800 0.070 0.000 2.591 662 G HA2 -0.376 3.584 3.960 -0.001 0.000 0.298 662 G HA3 -0.376 3.584 3.960 -0.001 0.000 0.298 662 G C 0.559 175.514 174.900 0.093 0.000 1.195 662 G CA 0.356 45.518 45.100 0.103 0.000 0.989 662 G HN 0.365 nan 8.290 nan 0.000 0.551 663 Q N -0.265 119.573 119.800 0.064 0.000 2.444 663 Q HA 0.116 4.456 4.340 -0.001 0.000 0.206 663 Q C 0.518 176.354 176.000 -0.274 0.000 0.948 663 Q CA -0.118 55.618 55.803 -0.112 0.000 0.946 663 Q CB 0.164 28.765 28.738 -0.228 0.000 1.027 663 Q HN 0.487 nan 8.270 nan 0.000 0.513 664 Y N 2.879 122.991 120.300 -0.314 0.000 2.721 664 Y HA -0.037 4.512 4.550 -0.001 0.000 0.329 664 Y C -1.453 174.304 175.900 -0.238 0.000 1.211 664 Y CA -1.241 56.648 58.100 -0.352 0.000 1.512 664 Y CB 0.876 39.273 38.460 -0.105 0.000 1.249 664 Y HN 0.064 nan 8.280 nan 0.000 0.549 665 P HA -0.033 nan 4.420 nan 0.000 0.241 665 P C -0.704 176.441 177.300 -0.258 0.000 1.191 665 P CA 0.881 63.728 63.100 -0.423 0.000 0.771 665 P CB 0.514 31.868 31.700 -0.577 0.000 0.929 666 E N 1.141 121.224 120.200 -0.195 0.000 2.145 666 E HA 0.204 4.554 4.350 -0.001 0.000 0.270 666 E C -0.525 176.192 176.600 0.195 0.000 0.906 666 E CA -0.527 55.899 56.400 0.043 0.000 0.761 666 E CB 1.262 31.035 29.700 0.122 0.000 1.116 666 E HN 0.051 nan 8.360 nan 0.000 0.408 667 D N 1.409 121.888 120.400 0.132 0.000 2.389 667 D HA 0.066 4.706 4.640 -0.001 0.000 0.247 667 D C 0.252 176.624 176.300 0.120 0.000 1.128 667 D CA -0.214 53.870 54.000 0.139 0.000 0.884 667 D CB 1.038 41.907 40.800 0.115 0.000 1.194 667 D HN 0.038 nan 8.370 nan 0.000 0.441 668 V N 2.842 122.816 119.914 0.099 0.000 2.763 668 V HA -0.052 4.067 4.120 -0.001 0.000 0.306 668 V C 0.616 176.566 176.094 -0.240 0.000 1.059 668 V CA 0.204 62.465 62.300 -0.066 0.000 1.138 668 V CB 0.316 32.078 31.823 -0.101 0.000 0.940 668 V HN 0.366 nan 8.190 nan 0.000 0.489 669 K N 3.752 123.943 120.400 -0.348 0.000 2.123 669 K HA 0.737 5.056 4.320 -0.001 0.000 0.248 669 K C -0.927 175.270 176.600 -0.672 0.000 0.969 669 K CA -0.377 55.737 56.287 -0.288 0.000 0.882 669 K CB 1.012 33.459 32.500 -0.089 0.000 1.080 669 K HN 0.395 nan 8.250 nan 0.000 0.441 670 F N -0.665 119.300 119.950 0.025 0.000 2.577 670 F HA 0.771 5.297 4.527 -0.001 0.000 0.318 670 F C 0.617 176.424 175.800 0.012 0.000 1.065 670 F CA -0.625 57.382 58.000 0.012 0.000 0.929 670 F CB 2.790 41.796 39.000 0.010 0.000 1.237 670 F HN 0.535 nan 8.300 nan 0.000 0.468 671 G N 0.501 109.410 108.800 0.182 0.000 2.623 671 G HA2 0.413 4.373 3.960 -0.001 0.000 0.290 671 G HA3 0.413 4.373 3.960 -0.001 0.000 0.290 671 G C -2.100 172.856 174.900 0.094 0.000 1.437 671 G CA -0.841 44.326 45.100 0.113 0.000 0.798 671 G HN 0.367 nan 8.290 nan 0.000 0.488 672 D N 0.802 121.243 120.400 0.069 0.000 2.362 672 D HA 0.380 5.019 4.640 -0.001 0.000 0.242 672 D C -1.988 174.344 176.300 0.054 0.000 1.132 672 D CA -0.643 53.391 54.000 0.057 0.000 0.907 672 D CB 0.915 41.742 40.800 0.045 0.000 1.195 672 D HN 0.002 nan 8.370 nan 0.000 0.429 673 P HA 0.081 nan 4.420 nan 0.000 0.265 673 P C -0.462 176.869 177.300 0.052 0.000 1.187 673 P CA 0.371 63.504 63.100 0.055 0.000 0.766 673 P CB 0.391 32.126 31.700 0.058 0.000 0.820 674 R N 0.275 120.808 120.500 0.055 0.000 2.690 674 R HA 0.407 4.747 4.340 -0.001 0.000 0.269 674 R C -1.143 175.198 176.300 0.068 0.000 1.037 674 R CA -1.015 55.117 56.100 0.054 0.000 0.877 674 R CB 1.053 31.380 30.300 0.046 0.000 1.255 674 R HN 0.232 nan 8.270 nan 0.000 0.467 675 E N 1.736 121.977 120.200 0.068 0.000 2.398 675 E HA 0.244 4.593 4.350 -0.001 0.000 0.263 675 E C 0.021 176.679 176.600 0.097 0.000 1.046 675 E CA 0.088 56.542 56.400 0.090 0.000 0.908 675 E CB 0.789 30.526 29.700 0.062 0.000 0.963 675 E HN 0.454 nan 8.360 nan 0.000 0.431 676 I N -1.934 118.728 120.570 0.154 0.000 3.095 676 I HA 0.580 4.749 4.170 -0.001 0.000 0.310 676 I C -0.713 175.548 176.117 0.239 0.000 1.196 676 I CA -0.901 60.489 61.300 0.151 0.000 0.985 676 I CB 2.342 40.406 38.000 0.107 0.000 1.250 676 I HN 0.342 nan 8.210 nan 0.000 0.446 677 S N 3.699 119.512 115.700 0.189 0.000 2.548 677 S HA 0.860 5.329 4.470 -0.001 0.000 0.286 677 S C -1.340 173.379 174.600 0.199 0.000 1.098 677 S CA -0.561 57.766 58.200 0.212 0.000 0.930 677 S CB 1.564 64.835 63.200 0.117 0.000 1.070 677 S HN 0.739 nan 8.310 nan 0.000 0.480 678 L N 2.797 124.164 121.223 0.240 0.000 2.409 678 L HA 0.698 5.038 4.340 -0.001 0.000 0.262 678 L C -0.422 176.544 176.870 0.160 0.000 0.992 678 L CA -0.732 54.221 54.840 0.189 0.000 0.817 678 L CB 2.488 44.672 42.059 0.209 0.000 1.350 678 L HN 0.789 nan 8.230 nan 0.000 0.411 679 R N 1.779 122.349 120.500 0.118 0.000 2.533 679 R HA 0.668 5.007 4.340 -0.001 0.000 0.288 679 R C -2.010 174.338 176.300 0.081 0.000 1.039 679 R CA -0.479 55.677 56.100 0.094 0.000 0.909 679 R CB 2.284 32.630 30.300 0.077 0.000 1.195 679 R HN 0.402 nan 8.270 nan 0.000 0.438 680 V N 4.586 124.546 119.914 0.075 0.000 2.483 680 V HA 0.553 4.673 4.120 -0.001 0.000 0.295 680 V C 1.110 177.236 176.094 0.054 0.000 1.035 680 V CA 0.629 62.969 62.300 0.065 0.000 0.896 680 V CB 1.155 33.018 31.823 0.068 0.000 0.986 680 V HN 1.114 nan 8.190 nan 0.000 0.447 681 G N 4.981 113.811 108.800 0.049 0.000 2.614 681 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.303 681 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.303 681 G C 0.521 175.443 174.900 0.036 0.000 1.270 681 G CA 0.671 45.796 45.100 0.041 0.000 0.988 681 G HN 0.681 nan 8.290 nan 0.000 0.551 682 N N 2.323 121.041 118.700 0.029 0.000 2.251 682 N HA 0.297 5.037 4.740 -0.001 0.000 0.217 682 N C 1.117 176.638 175.510 0.018 0.000 1.124 682 N CA 1.001 54.064 53.050 0.022 0.000 0.843 682 N CB 0.227 38.724 38.487 0.016 0.000 1.024 682 N HN 0.814 nan 8.380 nan 0.000 0.501 683 G N 1.164 109.979 108.800 0.025 0.000 2.508 683 G HA2 0.266 4.225 3.960 -0.001 0.000 0.278 683 G HA3 0.266 4.225 3.960 -0.001 0.000 0.278 683 G C -2.409 172.503 174.900 0.020 0.000 1.389 683 G CA -0.675 44.438 45.100 0.022 0.000 1.050 683 G HN 0.007 nan 8.290 nan 0.000 0.522 684 P HA 0.211 nan 4.420 nan 0.000 0.274 684 P C -0.522 176.799 177.300 0.035 0.000 1.237 684 P CA 0.006 63.113 63.100 0.011 0.000 0.793 684 P CB 0.870 32.572 31.700 0.003 0.000 0.977 685 T N 2.544 117.117 114.554 0.031 0.000 2.744 685 T HA 0.438 4.787 4.350 -0.001 0.000 0.291 685 T C 0.057 174.795 174.700 0.064 0.000 0.957 685 T CA -0.358 61.785 62.100 0.071 0.000 1.002 685 T CB 0.061 68.987 68.868 0.097 0.000 0.919 685 T HN 0.179 nan 8.240 nan 0.000 0.468 686 L N 2.775 124.041 121.223 0.072 0.000 2.322 686 L HA 0.762 5.102 4.340 -0.001 0.000 0.281 686 L C 0.193 177.011 176.870 -0.087 0.000 1.014 686 L CA -1.127 53.677 54.840 -0.061 0.000 0.815 686 L CB 1.500 43.520 42.059 -0.064 0.000 1.247 686 L HN 0.648 nan 8.230 nan 0.000 0.421 687 A N 3.383 126.060 122.820 -0.239 0.000 2.337 687 A HA 0.867 5.186 4.320 -0.001 0.000 0.329 687 A C -1.220 176.140 177.584 -0.373 0.000 1.146 687 A CA -0.313 51.640 52.037 -0.141 0.000 0.800 687 A CB 0.856 19.816 19.000 -0.067 0.000 1.220 687 A HN 0.512 nan 8.150 nan 0.000 0.472 688 F N 0.918 120.911 119.950 0.071 0.000 2.532 688 F HA 0.512 5.038 4.527 -0.001 0.000 0.321 688 F C 1.088 176.935 175.800 0.078 0.000 1.089 688 F CA -0.288 57.771 58.000 0.098 0.000 0.926 688 F CB 2.225 41.285 39.000 0.101 0.000 1.168 688 F HN 0.686 nan 8.300 nan 0.000 0.459 689 S N 0.307 116.166 115.700 0.264 0.000 2.596 689 S HA 0.063 4.533 4.470 -0.001 0.000 0.260 689 S C 1.144 175.850 174.600 0.177 0.000 1.336 689 S CA 0.022 58.327 58.200 0.175 0.000 0.993 689 S CB 0.723 64.027 63.200 0.172 0.000 0.923 689 S HN 0.873 nan 8.310 nan 0.000 0.567 690 E N 0.092 120.364 120.200 0.120 0.000 2.333 690 E HA -0.223 4.127 4.350 -0.001 0.000 0.198 690 E C 1.385 178.051 176.600 0.109 0.000 1.007 690 E CA 1.156 57.617 56.400 0.102 0.000 0.845 690 E CB -0.380 29.364 29.700 0.075 0.000 0.766 690 E HN 0.783 nan 8.360 nan 0.000 0.507 691 Q N -0.162 119.718 119.800 0.132 0.000 2.320 691 Q HA 0.212 4.551 4.340 -0.001 0.000 0.201 691 Q C 0.834 176.927 176.000 0.156 0.000 0.910 691 Q CA 0.486 56.367 55.803 0.131 0.000 0.946 691 Q CB 0.951 29.767 28.738 0.131 0.000 1.062 691 Q HN 0.493 nan 8.270 nan 0.000 0.503 692 G N 0.204 109.117 108.800 0.190 0.000 2.141 692 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.242 692 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.242 692 G C -0.338 174.791 174.900 0.382 0.000 0.982 692 G CA -0.241 44.978 45.100 0.200 0.000 0.662 692 G HN 0.231 nan 8.290 nan 0.000 0.527 693 L N -0.054 121.431 121.223 0.437 0.000 2.334 693 L HA 0.720 5.060 4.340 -0.001 0.000 0.276 693 L C 0.718 177.888 176.870 0.501 0.000 1.014 693 L CA -1.295 53.847 54.840 0.504 0.000 0.815 693 L CB 1.618 43.877 42.059 0.333 0.000 1.268 693 L HN 0.135 nan 8.230 nan 0.000 0.428 694 L N 2.801 124.294 121.223 0.450 0.000 2.559 694 L HA -0.030 4.310 4.340 -0.001 0.000 0.282 694 L C 0.768 177.711 176.870 0.122 0.000 1.232 694 L CA 1.155 56.010 54.840 0.025 0.000 0.885 694 L CB 0.100 42.205 42.059 0.076 0.000 1.131 694 L HN 0.635 nan 8.230 nan 0.000 0.498 695 K N 1.485 121.856 120.400 -0.049 0.000 2.474 695 K HA 0.249 4.568 4.320 -0.001 0.000 0.202 695 K C -0.348 176.192 176.600 -0.101 0.000 1.248 695 K CA 0.591 56.861 56.287 -0.028 0.000 0.946 695 K CB 0.612 33.070 32.500 -0.071 0.000 1.102 695 K HN 0.790 nan 8.250 nan 0.000 0.541 696 S N -0.055 115.562 115.700 -0.138 0.000 2.567 696 S HA 0.536 5.005 4.470 -0.001 0.000 0.270 696 S C -1.204 173.340 174.600 -0.094 0.000 1.152 696 S CA -1.019 57.123 58.200 -0.097 0.000 0.835 696 S CB 1.385 64.566 63.200 -0.032 0.000 1.115 696 S HN 0.056 nan 8.310 nan 0.000 0.459 697 I N 1.436 121.970 120.570 -0.060 0.000 2.466 697 I HA 0.461 4.631 4.170 -0.001 0.000 0.289 697 I C -0.511 175.581 176.117 -0.042 0.000 1.026 697 I CA -0.401 60.868 61.300 -0.051 0.000 1.078 697 I CB 2.116 40.073 38.000 -0.071 0.000 1.249 697 I HN 0.735 nan 8.210 nan 0.000 0.429 698 Q N 6.008 125.775 119.800 -0.055 0.000 2.368 698 Q HA 0.413 4.753 4.340 -0.001 0.000 0.263 698 Q C -0.002 175.931 176.000 -0.112 0.000 1.009 698 Q CA -0.505 55.195 55.803 -0.172 0.000 0.818 698 Q CB 1.648 30.143 28.738 -0.404 0.000 1.239 698 Q HN 0.782 nan 8.270 nan 0.000 0.464 699 L N 2.103 123.266 121.223 -0.099 0.000 2.109 699 L HA -0.001 4.338 4.340 -0.001 0.000 0.207 699 L C 1.173 178.009 176.870 -0.057 0.000 1.086 699 L CA 1.223 56.025 54.840 -0.064 0.000 0.760 699 L CB -0.148 41.876 42.059 -0.059 0.000 0.910 699 L HN 0.678 nan 8.230 nan 0.000 0.437 700 T N -6.329 108.181 114.554 -0.073 0.000 2.883 700 T HA 0.141 4.491 4.350 -0.001 0.000 0.296 700 T C 0.385 175.043 174.700 -0.069 0.000 1.117 700 T CA -0.748 61.319 62.100 -0.055 0.000 1.006 700 T CB 2.091 70.932 68.868 -0.045 0.000 1.191 700 T HN -0.109 nan 8.240 nan 0.000 0.508 701 Q N 0.272 120.047 119.800 -0.042 0.000 2.226 701 Q HA -0.135 4.205 4.340 -0.001 0.000 0.204 701 Q C 1.482 177.452 176.000 -0.049 0.000 0.975 701 Q CA 2.124 57.905 55.803 -0.037 0.000 0.866 701 Q CB -0.056 28.676 28.738 -0.010 0.000 0.915 701 Q HN 0.863 nan 8.270 nan 0.000 0.440 702 D N -0.872 119.499 120.400 -0.048 0.000 2.305 702 D HA -0.059 4.580 4.640 -0.001 0.000 0.206 702 D C 1.058 177.318 176.300 -0.066 0.000 0.974 702 D CA 0.338 54.313 54.000 -0.041 0.000 0.871 702 D CB -0.054 40.730 40.800 -0.027 0.000 0.947 702 D HN 0.036 nan 8.370 nan 0.000 0.516 703 S N 0.747 116.388 115.700 -0.099 0.000 2.655 703 S HA 0.432 4.901 4.470 -0.001 0.000 0.265 703 S C -2.635 171.871 174.600 -0.157 0.000 1.240 703 S CA -1.087 57.051 58.200 -0.105 0.000 0.986 703 S CB 1.128 64.270 63.200 -0.098 0.000 0.985 703 S HN -0.171 nan 8.310 nan 0.000 0.562 704 P HA 0.200 nan 4.420 nan 0.000 0.271 704 P C -0.703 176.500 177.300 -0.161 0.000 1.218 704 P CA -0.172 62.874 63.100 -0.089 0.000 0.780 704 P CB 0.126 31.809 31.700 -0.029 0.000 0.901 705 H N 0.960 120.016 119.070 -0.023 0.000 3.004 705 H HA 0.134 4.689 4.556 -0.001 0.000 0.267 705 H C -0.132 175.166 175.328 -0.049 0.000 1.165 705 H CA -0.244 55.782 56.048 -0.036 0.000 1.450 705 H CB -0.074 29.669 29.762 -0.032 0.000 1.488 705 H HN 0.118 nan 8.280 nan 0.000 0.478 706 V N 7.162 127.078 119.914 0.003 0.000 2.455 706 V HA 0.077 4.197 4.120 -0.001 0.000 0.273 706 V C -1.876 174.171 176.094 -0.077 0.000 1.045 706 V CA -1.643 60.635 62.300 -0.037 0.000 0.976 706 V CB 0.892 32.682 31.823 -0.055 0.000 0.993 706 V HN 0.558 nan 8.190 nan 0.000 0.475 707 P HA 0.162 nan 4.420 nan 0.000 0.266 707 P C -0.806 176.356 177.300 -0.229 0.000 1.215 707 P CA 0.230 63.200 63.100 -0.217 0.000 0.763 707 P CB 0.494 31.945 31.700 -0.415 0.000 0.806 708 V N 4.195 124.001 119.914 -0.181 0.000 2.555 708 V HA 0.225 4.344 4.120 -0.001 0.000 0.283 708 V C -0.816 175.182 176.094 -0.161 0.000 1.020 708 V CA -0.406 61.773 62.300 -0.203 0.000 0.883 708 V CB 1.105 32.798 31.823 -0.217 0.000 1.030 708 V HN 0.554 nan 8.190 nan 0.000 0.448 709 H N 4.252 123.159 119.070 -0.272 0.000 2.505 709 H HA 0.645 5.200 4.556 -0.001 0.000 0.338 709 H C -1.245 173.960 175.328 -0.204 0.000 1.057 709 H CA -0.956 54.980 56.048 -0.186 0.000 1.202 709 H CB 1.198 30.891 29.762 -0.114 0.000 1.466 709 H HN 0.439 nan 8.280 nan 0.000 0.499 710 F N 4.076 123.760 119.950 -0.443 0.000 2.384 710 F HA 0.343 4.869 4.527 -0.001 0.000 0.338 710 F C 0.481 175.790 175.800 -0.819 0.000 1.103 710 F CA -0.142 57.539 58.000 -0.531 0.000 1.157 710 F CB 0.925 39.738 39.000 -0.312 0.000 1.167 710 F HN 0.381 nan 8.300 nan 0.000 0.529 711 K N 3.411 123.553 120.400 -0.429 0.000 2.523 711 K HA 0.444 4.763 4.320 -0.001 0.000 0.257 711 K C -1.960 174.383 176.600 -0.429 0.000 0.932 711 K CA -0.621 55.456 56.287 -0.349 0.000 0.812 711 K CB 1.401 33.753 32.500 -0.245 0.000 1.326 711 K HN 0.422 nan 8.250 nan 0.000 0.433 712 F N 4.011 123.882 119.950 -0.133 0.000 2.436 712 F HA 0.493 5.019 4.527 -0.001 0.000 0.340 712 F C -0.332 175.424 175.800 -0.074 0.000 1.113 712 F CA -0.579 57.358 58.000 -0.105 0.000 1.022 712 F CB 1.135 40.061 39.000 -0.124 0.000 1.128 712 F HN 0.236 nan 8.300 nan 0.000 0.466 713 L N 2.706 123.975 121.223 0.076 0.000 2.277 713 L HA 0.641 4.980 4.340 -0.001 0.000 0.254 713 L C -1.159 175.706 176.870 -0.008 0.000 1.044 713 L CA -1.018 53.816 54.840 -0.011 0.000 0.842 713 L CB 2.187 44.181 42.059 -0.109 0.000 1.422 713 L HN 0.424 nan 8.230 nan 0.000 0.422 714 K N 0.078 120.434 120.400 -0.073 0.000 2.427 714 K HA 0.618 4.938 4.320 -0.001 0.000 0.252 714 K C -1.795 174.742 176.600 -0.106 0.000 0.931 714 K CA -0.756 55.520 56.287 -0.018 0.000 0.793 714 K CB 1.913 34.432 32.500 0.032 0.000 1.211 714 K HN 0.256 nan 8.250 nan 0.000 0.426 715 Y N 0.348 120.712 120.300 0.106 0.000 2.352 715 Y HA 0.490 5.039 4.550 -0.001 0.000 0.326 715 Y C 1.063 177.026 175.900 0.106 0.000 1.166 715 Y CA -0.204 57.972 58.100 0.126 0.000 1.182 715 Y CB 1.957 40.558 38.460 0.234 0.000 1.216 715 Y HN 0.843 nan 8.280 nan 0.000 0.474 716 G N 0.588 109.542 108.800 0.256 0.000 2.971 716 G HA2 0.641 4.600 3.960 -0.001 0.000 0.235 716 G HA3 0.641 4.600 3.960 -0.001 0.000 0.235 716 G C -1.422 173.565 174.900 0.145 0.000 1.351 716 G CA -0.733 44.465 45.100 0.163 0.000 1.039 716 G HN 0.432 nan 8.290 nan 0.000 0.563 717 V N -0.171 119.801 119.914 0.097 0.000 2.914 717 V HA 0.479 4.598 4.120 -0.001 0.000 0.314 717 V C -0.046 176.080 176.094 0.052 0.000 1.084 717 V CA -0.873 61.466 62.300 0.066 0.000 0.963 717 V CB 1.959 33.820 31.823 0.063 0.000 1.025 717 V HN 0.676 nan 8.190 nan 0.000 0.432 718 R N 1.228 121.741 120.500 0.023 0.000 2.594 718 R HA 0.242 4.581 4.340 -0.001 0.000 0.272 718 R C 0.967 177.317 176.300 0.083 0.000 1.074 718 R CA 0.394 56.512 56.100 0.030 0.000 1.105 718 R CB 0.602 30.850 30.300 -0.086 0.000 1.008 718 R HN 0.895 nan 8.270 nan 0.000 0.472 719 S N 0.828 116.646 115.700 0.197 0.000 2.556 719 S HA 0.039 4.509 4.470 -0.001 0.000 0.216 719 S C 0.114 174.866 174.600 0.254 0.000 0.970 719 S CA -0.358 57.947 58.200 0.177 0.000 0.912 719 S CB -0.086 63.183 63.200 0.115 0.000 0.790 719 S HN 0.745 nan 8.310 nan 0.000 0.504 720 H N -1.290 117.781 119.070 0.002 0.000 2.930 720 H HA 0.712 5.267 4.556 -0.001 0.000 0.371 720 H C 0.558 175.884 175.328 -0.004 0.000 1.169 720 H CA -0.811 55.236 56.048 -0.001 0.000 1.157 720 H CB 0.850 30.612 29.762 -0.001 0.000 1.789 720 H HN 0.438 nan 8.280 nan 0.000 0.547 721 G N 1.882 110.667 108.800 -0.026 0.000 2.527 721 G HA2 -0.206 3.754 3.960 -0.001 0.000 0.227 721 G HA3 -0.206 3.754 3.960 -0.001 0.000 0.227 721 G C -1.155 173.698 174.900 -0.078 0.000 1.291 721 G CA -0.132 44.906 45.100 -0.104 0.000 0.904 721 G HN 0.786 nan 8.290 nan 0.000 0.577 722 D N 1.336 121.681 120.400 -0.092 0.000 2.255 722 D HA 0.561 5.201 4.640 -0.001 0.000 0.249 722 D C 0.762 177.027 176.300 -0.057 0.000 1.078 722 D CA -0.122 53.840 54.000 -0.064 0.000 0.896 722 D CB 0.786 41.548 40.800 -0.064 0.000 1.194 722 D HN 0.380 nan 8.370 nan 0.000 0.429 723 R N 0.916 121.395 120.500 -0.035 0.000 2.474 723 R HA 0.357 4.696 4.340 -0.001 0.000 0.295 723 R C 0.016 176.307 176.300 -0.014 0.000 0.980 723 R CA -0.649 55.441 56.100 -0.017 0.000 0.934 723 R CB 0.935 31.235 30.300 0.001 0.000 1.101 723 R HN 0.289 nan 8.270 nan 0.000 0.469 724 S N 0.231 115.934 115.700 0.005 0.000 2.568 724 S HA 0.443 4.912 4.470 -0.001 0.000 0.282 724 S C 0.661 175.279 174.600 0.030 0.000 1.338 724 S CA 0.258 58.476 58.200 0.031 0.000 1.045 724 S CB 0.954 64.205 63.200 0.085 0.000 0.873 724 S HN 0.762 nan 8.310 nan 0.000 0.516 725 G N -0.123 108.694 108.800 0.029 0.000 2.846 725 G HA2 0.584 4.544 3.960 -0.001 0.000 0.299 725 G HA3 0.584 4.544 3.960 -0.001 0.000 0.299 725 G C 0.562 175.475 174.900 0.022 0.000 1.242 725 G CA -0.102 45.019 45.100 0.035 0.000 0.800 725 G HN 0.707 nan 8.290 nan 0.000 0.538 726 A N -1.178 121.640 122.820 -0.003 0.000 1.940 726 A HA 0.059 4.378 4.320 -0.001 0.000 0.219 726 A C 1.974 179.469 177.584 -0.148 0.000 1.176 726 A CA 2.101 54.082 52.037 -0.094 0.000 0.631 726 A CB -0.696 18.185 19.000 -0.198 0.000 0.814 726 A HN 0.594 nan 8.150 nan 0.000 0.446 727 Y N -0.647 119.589 120.300 -0.108 0.000 2.230 727 Y HA 0.301 4.850 4.550 -0.001 0.000 0.294 727 Y C 0.939 176.731 175.900 -0.181 0.000 1.120 727 Y CA 0.192 58.152 58.100 -0.234 0.000 1.129 727 Y CB -0.227 37.746 38.460 -0.812 0.000 1.040 727 Y HN 0.033 nan 8.280 nan 0.000 0.519 728 L N 0.475 121.653 121.223 -0.075 0.000 2.312 728 L HA 0.211 4.550 4.340 -0.001 0.000 0.281 728 L C -0.939 175.980 176.870 0.081 0.000 1.070 728 L CA -0.354 54.447 54.840 -0.066 0.000 0.805 728 L CB 1.098 43.066 42.059 -0.152 0.000 1.174 728 L HN 0.113 nan 8.230 nan 0.000 0.434 729 F N 4.865 124.759 119.950 -0.093 0.000 2.361 729 F HA 0.473 5.000 4.527 -0.001 0.000 0.364 729 F C -0.594 175.130 175.800 -0.127 0.000 1.117 729 F CA -0.741 57.167 58.000 -0.153 0.000 1.071 729 F CB 0.681 39.527 39.000 -0.257 0.000 1.188 729 F HN 0.314 nan 8.300 nan 0.000 0.464 730 L N 8.958 130.077 121.223 -0.172 0.000 2.556 730 L HA 0.340 4.679 4.340 -0.001 0.000 0.243 730 L C -2.330 174.364 176.870 -0.294 0.000 1.331 730 L CA -1.856 52.830 54.840 -0.257 0.000 0.927 730 L CB 0.840 42.832 42.059 -0.112 0.000 1.219 730 L HN 0.417 nan 8.230 nan 0.000 0.490 731 P HA 0.056 nan 4.420 nan 0.000 0.272 731 P C -0.512 176.717 177.300 -0.119 0.000 1.230 731 P CA -0.325 62.600 63.100 -0.291 0.000 0.788 731 P CB 0.590 31.994 31.700 -0.493 0.000 0.949 732 N N 0.783 119.489 118.700 0.010 0.000 3.250 732 N HA 0.282 5.022 4.740 -0.001 0.000 0.307 732 N C 0.641 176.184 175.510 0.053 0.000 1.355 732 N CA -0.204 52.864 53.050 0.030 0.000 1.192 732 N CB -0.797 37.728 38.487 0.062 0.000 1.478 732 N HN 0.741 nan 8.380 nan 0.000 0.543 733 G N 0.829 109.653 108.800 0.039 0.000 2.655 733 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.680 733 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.680 733 G C -3.068 171.911 174.900 0.133 0.000 1.302 733 G CA -1.085 44.050 45.100 0.058 0.000 0.872 733 G HN 0.364 nan 8.290 nan 0.000 0.540 734 P HA 0.458 nan 4.420 nan 0.000 0.269 734 P C 0.509 177.777 177.300 -0.052 0.000 1.217 734 P CA 0.630 63.797 63.100 0.110 0.000 0.783 734 P CB 0.336 32.069 31.700 0.054 0.000 0.898 735 A N 1.997 124.600 122.820 -0.362 0.000 2.425 735 A HA 0.369 4.688 4.320 -0.001 0.000 0.242 735 A C 0.222 177.658 177.584 -0.246 0.000 1.077 735 A CA 0.243 51.913 52.037 -0.612 0.000 0.781 735 A CB -0.299 18.057 19.000 -1.074 0.000 1.020 735 A HN 0.476 nan 8.150 nan 0.000 0.494 736 S N 2.590 118.186 115.700 -0.173 0.000 2.475 736 S HA 0.573 5.043 4.470 -0.001 0.000 0.298 736 S C -2.663 171.903 174.600 -0.057 0.000 1.119 736 S CA -1.007 57.147 58.200 -0.076 0.000 1.085 736 S CB 1.231 64.409 63.200 -0.037 0.000 1.028 736 S HN 0.574 nan 8.310 nan 0.000 0.489 737 P HA 0.097 nan 4.420 nan 0.000 0.268 737 P C -0.630 176.679 177.300 0.014 0.000 1.205 737 P CA -0.329 62.771 63.100 0.000 0.000 0.771 737 P CB 0.274 31.985 31.700 0.019 0.000 0.858 738 V N 3.275 123.210 119.914 0.035 0.000 2.599 738 V HA -0.047 4.072 4.120 -0.001 0.000 0.300 738 V C 1.055 177.166 176.094 0.029 0.000 1.034 738 V CA 0.319 62.639 62.300 0.032 0.000 1.115 738 V CB -0.286 31.561 31.823 0.041 0.000 0.934 738 V HN 0.552 nan 8.190 nan 0.000 0.485 739 E N 3.671 123.882 120.200 0.019 0.000 2.217 739 E HA 0.181 4.530 4.350 -0.001 0.000 0.279 739 E C 0.484 177.096 176.600 0.019 0.000 1.068 739 E CA -0.230 56.184 56.400 0.022 0.000 0.882 739 E CB 0.606 30.317 29.700 0.018 0.000 1.039 739 E HN 0.610 nan 8.360 nan 0.000 0.418 740 L N 3.812 125.052 121.223 0.029 0.000 2.529 740 L HA 0.203 4.542 4.340 -0.001 0.000 0.223 740 L C 1.372 178.260 176.870 0.030 0.000 1.113 740 L CA 0.315 55.170 54.840 0.024 0.000 0.861 740 L CB -0.564 41.519 42.059 0.040 0.000 1.012 740 L HN 0.899 nan 8.230 nan 0.000 0.461 741 G N 1.022 109.843 108.800 0.034 0.000 2.582 741 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.288 741 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.288 741 G C 0.130 175.058 174.900 0.046 0.000 1.247 741 G CA 0.312 45.436 45.100 0.039 0.000 0.972 741 G HN 0.375 nan 8.290 nan 0.000 0.557 742 Q N 1.645 121.475 119.800 0.051 0.000 2.706 742 Q HA 0.415 4.754 4.340 -0.001 0.000 0.250 742 Q C -2.125 173.917 176.000 0.071 0.000 1.120 742 Q CA -1.597 54.240 55.803 0.057 0.000 0.972 742 Q CB 0.959 29.728 28.738 0.052 0.000 1.173 742 Q HN 0.545 nan 8.270 nan 0.000 0.522 743 P HA 0.080 nan 4.420 nan 0.000 0.274 743 P C -0.385 176.987 177.300 0.119 0.000 1.231 743 P CA -0.307 62.847 63.100 0.091 0.000 0.790 743 P CB 1.123 32.859 31.700 0.060 0.000 0.951 744 V N 2.273 122.296 119.914 0.181 0.000 2.488 744 V HA 0.138 4.258 4.120 -0.001 0.000 0.277 744 V C 0.507 176.763 176.094 0.269 0.000 1.046 744 V CA -0.236 62.195 62.300 0.218 0.000 0.986 744 V CB 1.194 33.182 31.823 0.276 0.000 0.989 744 V HN 0.258 nan 8.190 nan 0.000 0.475 745 V N 6.304 126.319 119.914 0.168 0.000 2.495 745 V HA 0.486 4.606 4.120 -0.001 0.000 0.298 745 V C -0.450 175.670 176.094 0.045 0.000 1.031 745 V CA -0.638 61.737 62.300 0.126 0.000 0.871 745 V CB 1.726 33.582 31.823 0.056 0.000 0.988 745 V HN 0.670 nan 8.190 nan 0.000 0.432 746 L N 6.495 127.739 121.223 0.035 0.000 2.325 746 L HA 0.719 5.059 4.340 -0.001 0.000 0.281 746 L C -0.639 176.124 176.870 -0.179 0.000 1.004 746 L CA -0.024 54.713 54.840 -0.172 0.000 0.823 746 L CB 1.770 43.623 42.059 -0.343 0.000 1.236 746 L HN 0.446 nan 8.230 nan 0.000 0.415 747 V N 4.036 123.833 119.914 -0.194 0.000 2.384 747 V HA 0.540 4.659 4.120 -0.001 0.000 0.287 747 V C 0.008 176.035 176.094 -0.111 0.000 1.020 747 V CA -0.395 61.813 62.300 -0.153 0.000 0.850 747 V CB 1.473 33.221 31.823 -0.125 0.000 0.987 747 V HN 0.833 nan 8.190 nan 0.000 0.436 748 T N 5.417 119.934 114.554 -0.061 0.000 2.770 748 T HA 0.427 4.777 4.350 -0.001 0.000 0.283 748 T C -0.370 174.362 174.700 0.054 0.000 0.988 748 T CA -0.557 61.565 62.100 0.036 0.000 0.957 748 T CB 1.078 70.008 68.868 0.105 0.000 0.930 748 T HN 0.660 nan 8.240 nan 0.000 0.443 749 K N 2.492 122.939 120.400 0.078 0.000 2.394 749 K HA 0.682 5.001 4.320 -0.001 0.000 0.260 749 K C -0.344 176.317 176.600 0.102 0.000 0.967 749 K CA -0.576 55.757 56.287 0.077 0.000 0.855 749 K CB 0.997 33.535 32.500 0.063 0.000 1.101 749 K HN 0.784 nan 8.250 nan 0.000 0.433 750 G N 2.220 111.077 108.800 0.095 0.000 2.658 750 G HA2 0.175 4.135 3.960 -0.001 0.000 0.292 750 G HA3 0.175 4.135 3.960 -0.001 0.000 0.292 750 G C -0.237 174.710 174.900 0.078 0.000 1.320 750 G CA -0.630 44.528 45.100 0.097 0.000 0.933 750 G HN 0.658 nan 8.290 nan 0.000 0.476 751 K N -0.342 120.100 120.400 0.070 0.000 2.148 751 K HA 0.131 4.450 4.320 -0.001 0.000 0.204 751 K C 1.733 178.369 176.600 0.061 0.000 1.050 751 K CA 1.044 57.368 56.287 0.062 0.000 0.942 751 K CB -0.138 32.395 32.500 0.055 0.000 0.724 751 K HN 0.427 nan 8.250 nan 0.000 0.446 752 L N -0.729 120.532 121.223 0.064 0.000 2.425 752 L HA 0.208 4.547 4.340 -0.001 0.000 0.215 752 L C 0.532 177.439 176.870 0.061 0.000 1.065 752 L CA 0.061 54.938 54.840 0.062 0.000 0.842 752 L CB 0.409 42.507 42.059 0.066 0.000 1.033 752 L HN 0.156 nan 8.230 nan 0.000 0.474 753 E N -0.209 120.032 120.200 0.068 0.000 2.321 753 E HA 0.375 4.725 4.350 -0.001 0.000 0.281 753 E C -1.524 175.122 176.600 0.077 0.000 0.910 753 E CA -0.206 56.235 56.400 0.069 0.000 0.770 753 E CB 2.134 31.874 29.700 0.066 0.000 1.225 753 E HN -0.125 nan 8.360 nan 0.000 0.417 754 S N 1.286 117.030 115.700 0.072 0.000 2.599 754 S HA 0.784 5.254 4.470 -0.001 0.000 0.294 754 S C -1.219 173.409 174.600 0.047 0.000 1.094 754 S CA -0.672 57.567 58.200 0.064 0.000 0.931 754 S CB 1.784 65.023 63.200 0.065 0.000 1.093 754 S HN 0.621 nan 8.310 nan 0.000 0.488 755 S N -0.143 115.562 115.700 0.008 0.000 2.565 755 S HA 0.753 5.222 4.470 -0.001 0.000 0.269 755 S C -1.634 172.879 174.600 -0.145 0.000 1.153 755 S CA -0.766 57.413 58.200 -0.036 0.000 0.835 755 S CB 1.083 64.282 63.200 -0.001 0.000 1.122 755 S HN 0.451 nan 8.310 nan 0.000 0.462 756 V N 1.743 121.510 119.914 -0.244 0.000 2.444 756 V HA 0.735 4.854 4.120 -0.001 0.000 0.294 756 V C -0.488 175.480 176.094 -0.210 0.000 1.022 756 V CA -0.386 61.699 62.300 -0.358 0.000 0.850 756 V CB 1.536 32.835 31.823 -0.875 0.000 0.992 756 V HN 0.986 nan 8.190 nan 0.000 0.426 757 S N 3.167 118.801 115.700 -0.110 0.000 2.526 757 S HA 0.792 5.262 4.470 -0.001 0.000 0.293 757 S C -0.850 173.708 174.600 -0.070 0.000 1.092 757 S CA -0.613 57.537 58.200 -0.084 0.000 0.980 757 S CB 2.156 65.414 63.200 0.097 0.000 1.048 757 S HN 0.658 nan 8.310 nan 0.000 0.483 758 V N 2.006 121.752 119.914 -0.279 0.000 2.760 758 V HA 0.818 4.937 4.120 -0.001 0.000 0.309 758 V C -0.082 175.654 176.094 -0.597 0.000 1.077 758 V CA -0.431 61.714 62.300 -0.258 0.000 0.910 758 V CB 1.855 33.658 31.823 -0.033 0.000 1.008 758 V HN 0.990 nan 8.190 nan 0.000 0.424 759 G N 6.903 115.381 108.800 -0.537 0.000 2.663 759 G HA2 0.536 4.496 3.960 -0.001 0.000 0.320 759 G HA3 0.536 4.496 3.960 -0.001 0.000 0.320 759 G C -0.563 174.231 174.900 -0.177 0.000 0.937 759 G CA -0.335 44.501 45.100 -0.440 0.000 1.332 759 G HN 0.694 nan 8.290 nan 0.000 0.461 760 L N 2.580 123.657 121.223 -0.242 0.000 2.387 760 L HA 0.404 4.743 4.340 -0.001 0.000 0.266 760 L C -2.037 174.725 176.870 -0.181 0.000 1.059 760 L CA -2.383 52.340 54.840 -0.195 0.000 0.801 760 L CB 1.769 43.640 42.059 -0.313 0.000 1.223 760 L HN 0.196 nan 8.230 nan 0.000 0.456 761 P HA 0.061 nan 4.420 nan 0.000 0.262 761 P C 0.024 177.226 177.300 -0.165 0.000 1.199 761 P CA 0.465 63.491 63.100 -0.122 0.000 0.763 761 P CB 0.851 32.503 31.700 -0.079 0.000 0.790 762 S N -0.109 115.500 115.700 -0.152 0.000 2.857 762 S HA -0.109 4.360 4.470 -0.001 0.000 0.268 762 S C 0.193 174.679 174.600 -0.189 0.000 1.297 762 S CA 1.157 59.273 58.200 -0.140 0.000 1.280 762 S CB -1.561 61.580 63.200 -0.099 0.000 1.562 762 S HN 0.395 nan 8.310 nan 0.000 0.661 763 V N 1.396 121.143 119.914 -0.278 0.000 2.655 763 V HA 0.435 4.555 4.120 -0.001 0.000 0.301 763 V C -0.228 175.644 176.094 -0.371 0.000 1.082 763 V CA -0.805 61.286 62.300 -0.347 0.000 0.899 763 V CB 2.079 33.532 31.823 -0.617 0.000 1.014 763 V HN 0.119 nan 8.190 nan 0.000 0.429 764 V N 4.736 124.444 119.914 -0.344 0.000 2.368 764 V HA 0.304 4.424 4.120 -0.001 0.000 0.266 764 V C 0.189 176.083 176.094 -0.334 0.000 1.045 764 V CA -0.287 61.713 62.300 -0.500 0.000 0.899 764 V CB 0.581 32.001 31.823 -0.672 0.000 1.006 764 V HN 0.907 nan 8.190 nan 0.000 0.470 765 H N 5.913 124.735 119.070 -0.414 0.000 2.467 765 H HA 0.537 5.092 4.556 -0.001 0.000 0.326 765 H C -0.772 174.443 175.328 -0.187 0.000 1.094 765 H CA -0.511 55.397 56.048 -0.234 0.000 1.253 765 H CB 1.651 31.314 29.762 -0.165 0.000 1.439 765 H HN 0.709 nan 8.280 nan 0.000 0.479 766 Q N 3.967 123.465 119.800 -0.503 0.000 2.331 766 Q HA 0.308 4.647 4.340 -0.001 0.000 0.272 766 Q C -1.544 174.245 176.000 -0.352 0.000 1.062 766 Q CA -0.846 54.748 55.803 -0.348 0.000 0.806 766 Q CB 2.089 30.727 28.738 -0.166 0.000 1.312 766 Q HN 0.655 nan 8.270 nan 0.000 0.431 767 T N 4.641 119.075 114.554 -0.200 0.000 2.786 767 T HA 0.550 4.899 4.350 -0.001 0.000 0.283 767 T C -0.426 174.302 174.700 0.045 0.000 0.992 767 T CA -0.326 61.775 62.100 0.001 0.000 0.954 767 T CB 0.343 69.374 68.868 0.271 0.000 0.934 767 T HN 0.453 nan 8.240 nan 0.000 0.440 768 I N 3.696 124.305 120.570 0.066 0.000 2.433 768 I HA 0.505 4.675 4.170 -0.001 0.000 0.292 768 I C -0.270 175.901 176.117 0.090 0.000 1.001 768 I CA -0.792 60.546 61.300 0.064 0.000 1.119 768 I CB 1.787 39.814 38.000 0.046 0.000 1.289 768 I HN 0.385 nan 8.210 nan 0.000 0.438 769 M N 5.788 125.441 119.600 0.089 0.000 2.321 769 M HA 0.499 4.978 4.480 -0.001 0.000 0.315 769 M C 0.170 176.512 176.300 0.070 0.000 1.052 769 M CA -0.405 54.950 55.300 0.092 0.000 0.936 769 M CB 2.399 35.069 32.600 0.117 0.000 1.639 769 M HN 0.496 nan 8.290 nan 0.000 0.433 770 R N 0.899 121.434 120.500 0.059 0.000 2.549 770 R HA 0.353 4.692 4.340 -0.001 0.000 0.344 770 R C 0.809 177.137 176.300 0.046 0.000 0.979 770 R CA 0.312 56.441 56.100 0.048 0.000 1.140 770 R CB 1.199 31.520 30.300 0.035 0.000 1.377 770 R HN 1.144 nan 8.270 nan 0.000 0.541 771 G N -0.308 108.521 108.800 0.049 0.000 2.255 771 G HA2 -0.183 3.776 3.960 -0.001 0.000 0.196 771 G HA3 -0.183 3.776 3.960 -0.001 0.000 0.196 771 G C 0.295 175.216 174.900 0.034 0.000 0.998 771 G CA -0.371 44.754 45.100 0.042 0.000 0.656 771 G HN 0.497 nan 8.290 nan 0.000 0.490 772 G N 0.093 108.914 108.800 0.034 0.000 3.286 772 G HA2 0.778 4.738 3.960 -0.001 0.000 0.166 772 G HA3 0.778 4.738 3.960 -0.001 0.000 0.166 772 G C 0.505 175.424 174.900 0.031 0.000 1.155 772 G CA 0.459 45.574 45.100 0.025 0.000 0.871 772 G HN 1.504 nan 8.290 nan 0.000 0.637 773 A N 1.481 124.317 122.820 0.027 0.000 2.546 773 A HA 0.536 4.855 4.320 -0.001 0.000 0.243 773 A C -1.904 175.715 177.584 0.058 0.000 1.063 773 A CA -0.508 51.550 52.037 0.036 0.000 0.757 773 A CB -0.410 18.608 19.000 0.030 0.000 0.991 773 A HN 0.343 nan 8.150 nan 0.000 0.503 774 P HA 0.162 nan 4.420 nan 0.000 0.272 774 P C -0.419 176.948 177.300 0.113 0.000 1.230 774 P CA -0.174 62.989 63.100 0.105 0.000 0.788 774 P CB 0.586 32.370 31.700 0.140 0.000 0.949 775 E N 0.918 121.182 120.200 0.107 0.000 2.179 775 E HA 0.465 4.814 4.350 -0.001 0.000 0.275 775 E C -1.087 175.584 176.600 0.118 0.000 0.945 775 E CA -0.730 55.736 56.400 0.109 0.000 0.792 775 E CB 0.537 30.278 29.700 0.069 0.000 1.125 775 E HN 0.192 nan 8.360 nan 0.000 0.397 776 I N 3.824 124.495 120.570 0.168 0.000 2.404 776 I HA 0.393 4.563 4.170 -0.001 0.000 0.293 776 I C -0.226 176.003 176.117 0.187 0.000 0.992 776 I CA -0.373 61.002 61.300 0.125 0.000 1.149 776 I CB 1.719 39.786 38.000 0.112 0.000 1.315 776 I HN 0.414 nan 8.210 nan 0.000 0.446 777 R N 4.563 125.105 120.500 0.071 0.000 2.534 777 R HA 0.546 4.885 4.340 -0.001 0.000 0.301 777 R C -1.162 175.189 176.300 0.084 0.000 0.961 777 R CA -0.955 55.201 56.100 0.093 0.000 0.871 777 R CB 1.598 31.912 30.300 0.023 0.000 1.170 777 R HN 0.445 nan 8.270 nan 0.000 0.446 778 N N 2.660 121.473 118.700 0.188 0.000 2.407 778 N HA 0.194 4.934 4.740 -0.001 0.000 0.277 778 N C -1.253 174.275 175.510 0.029 0.000 0.995 778 N CA -0.709 52.429 53.050 0.147 0.000 0.903 778 N CB 1.880 40.558 38.487 0.318 0.000 1.218 778 N HN 0.317 nan 8.380 nan 0.000 0.487 779 L N 3.667 124.848 121.223 -0.069 0.000 2.282 779 L HA 0.361 4.701 4.340 -0.001 0.000 0.287 779 L C -0.980 175.820 176.870 -0.116 0.000 1.075 779 L CA -0.452 54.325 54.840 -0.105 0.000 0.839 779 L CB 0.417 42.402 42.059 -0.124 0.000 1.219 779 L HN 0.218 nan 8.230 nan 0.000 0.434 780 V N 4.552 124.400 119.914 -0.111 0.000 2.350 780 V HA 0.386 4.505 4.120 -0.001 0.000 0.276 780 V C -0.458 175.594 176.094 -0.070 0.000 1.028 780 V CA -0.505 61.745 62.300 -0.082 0.000 0.860 780 V CB 1.305 33.106 31.823 -0.036 0.000 0.990 780 V HN 0.680 nan 8.190 nan 0.000 0.453 781 D N 3.994 124.354 120.400 -0.067 0.000 2.375 781 D HA 0.262 4.901 4.640 -0.001 0.000 0.259 781 D C 0.515 176.790 176.300 -0.042 0.000 1.235 781 D CA -0.403 53.568 54.000 -0.049 0.000 0.924 781 D CB 1.321 42.087 40.800 -0.056 0.000 1.143 781 D HN 0.466 nan 8.370 nan 0.000 0.529 782 I N 2.257 122.818 120.570 -0.014 0.000 3.176 782 I HA 0.069 4.239 4.170 -0.001 0.000 0.275 782 I C 1.341 177.453 176.117 -0.008 0.000 1.298 782 I CA 1.105 62.403 61.300 -0.003 0.000 1.445 782 I CB -0.254 37.764 38.000 0.030 0.000 1.075 782 I HN 0.615 nan 8.210 nan 0.000 0.482 783 G N 0.841 109.633 108.800 -0.014 0.000 2.583 783 G HA2 -0.411 3.548 3.960 -0.001 0.000 0.292 783 G HA3 -0.411 3.548 3.960 -0.001 0.000 0.292 783 G C 0.519 175.417 174.900 -0.004 0.000 1.203 783 G CA 0.415 45.504 45.100 -0.018 0.000 0.987 783 G HN 0.670 nan 8.290 nan 0.000 0.554 784 S N -0.168 115.529 115.700 -0.005 0.000 2.561 784 S HA 0.549 5.019 4.470 -0.001 0.000 0.245 784 S C 0.712 175.317 174.600 0.009 0.000 1.001 784 S CA -0.005 58.198 58.200 0.005 0.000 1.002 784 S CB 0.099 63.302 63.200 0.004 0.000 0.805 784 S HN 0.686 nan 8.310 nan 0.000 0.458 785 L N 3.033 124.261 121.223 0.009 0.000 2.448 785 L HA 0.289 4.628 4.340 -0.001 0.000 0.278 785 L C -0.364 176.524 176.870 0.030 0.000 1.201 785 L CA -0.312 54.538 54.840 0.017 0.000 1.036 785 L CB -0.429 41.640 42.059 0.016 0.000 1.325 785 L HN 0.144 nan 8.230 nan 0.000 0.441 786 D N 2.814 123.232 120.400 0.030 0.000 2.362 786 D HA 0.037 4.676 4.640 -0.001 0.000 0.242 786 D C 0.636 176.964 176.300 0.046 0.000 1.132 786 D CA 0.107 54.129 54.000 0.037 0.000 0.907 786 D CB 0.433 41.252 40.800 0.032 0.000 1.195 786 D HN 0.300 nan 8.370 nan 0.000 0.429 787 N N 0.362 119.094 118.700 0.054 0.000 2.738 787 N HA -0.168 4.571 4.740 -0.001 0.000 0.249 787 N C -1.009 174.550 175.510 0.082 0.000 1.047 787 N CA 0.823 53.912 53.050 0.065 0.000 0.707 787 N CB -1.152 37.369 38.487 0.058 0.000 0.937 787 N HN 0.288 nan 8.380 nan 0.000 0.545 788 T N 0.450 115.055 114.554 0.086 0.000 2.916 788 T HA 0.398 4.748 4.350 -0.001 0.000 0.298 788 T C -0.334 174.436 174.700 0.116 0.000 1.031 788 T CA -0.722 61.439 62.100 0.102 0.000 0.993 788 T CB 2.231 71.143 68.868 0.074 0.000 1.045 788 T HN 0.027 nan 8.240 nan 0.000 0.454 789 E N 2.639 122.937 120.200 0.163 0.000 2.191 789 E HA 0.446 4.795 4.350 -0.001 0.000 0.263 789 E C -0.695 176.025 176.600 0.199 0.000 0.881 789 E CA -0.635 55.860 56.400 0.158 0.000 0.757 789 E CB 2.238 32.012 29.700 0.122 0.000 1.147 789 E HN 0.497 nan 8.360 nan 0.000 0.414 790 I N 2.903 123.573 120.570 0.166 0.000 2.331 790 I HA 0.219 4.389 4.170 -0.001 0.000 0.292 790 I C -0.206 176.045 176.117 0.224 0.000 0.998 790 I CA -0.783 60.627 61.300 0.182 0.000 1.267 790 I CB 1.370 39.464 38.000 0.157 0.000 1.386 790 I HN 0.204 nan 8.210 nan 0.000 0.476 791 V N 8.116 128.162 119.914 0.221 0.000 2.628 791 V HA 0.481 4.600 4.120 -0.001 0.000 0.306 791 V C -0.387 175.743 176.094 0.061 0.000 1.045 791 V CA -0.729 61.687 62.300 0.192 0.000 0.905 791 V CB 2.016 34.008 31.823 0.282 0.000 0.997 791 V HN 0.749 nan 8.190 nan 0.000 0.436 792 M N 7.288 126.845 119.600 -0.071 0.000 2.129 792 M HA 0.551 5.031 4.480 -0.001 0.000 0.348 792 M C -0.511 175.638 176.300 -0.252 0.000 1.116 792 M CA -0.387 54.646 55.300 -0.445 0.000 1.022 792 M CB 0.506 32.803 32.600 -0.506 0.000 1.599 792 M HN 0.744 nan 8.290 nan 0.000 0.449 793 R N 4.731 125.072 120.500 -0.266 0.000 2.637 793 R HA 0.688 5.028 4.340 -0.001 0.000 0.291 793 R C -1.919 174.279 176.300 -0.169 0.000 0.963 793 R CA -0.628 55.378 56.100 -0.156 0.000 0.901 793 R CB 1.456 31.683 30.300 -0.122 0.000 1.160 793 R HN 0.806 nan 8.270 nan 0.000 0.457 794 L N 3.412 124.522 121.223 -0.189 0.000 2.313 794 L HA 0.411 4.751 4.340 -0.001 0.000 0.283 794 L C -0.493 176.263 176.870 -0.189 0.000 1.013 794 L CA -0.426 54.234 54.840 -0.300 0.000 0.816 794 L CB 1.911 43.747 42.059 -0.372 0.000 1.236 794 L HN 0.606 nan 8.230 nan 0.000 0.419 795 E N 2.249 122.353 120.200 -0.161 0.000 2.133 795 E HA 0.470 4.819 4.350 -0.001 0.000 0.274 795 E C -0.520 176.017 176.600 -0.106 0.000 0.930 795 E CA -0.453 55.905 56.400 -0.071 0.000 0.770 795 E CB 2.058 31.766 29.700 0.014 0.000 1.104 795 E HN 0.610 nan 8.360 nan 0.000 0.403 796 T N -0.760 113.745 114.554 -0.082 0.000 2.831 796 T HA 0.334 4.684 4.350 -0.001 0.000 0.287 796 T C 0.014 174.722 174.700 0.013 0.000 1.070 796 T CA -0.799 61.219 62.100 -0.137 0.000 1.010 796 T CB 1.163 69.973 68.868 -0.097 0.000 1.264 796 T HN 0.418 nan 8.240 nan 0.000 0.532 797 H N -0.028 119.032 119.070 -0.017 0.000 2.469 797 H HA 0.468 5.023 4.556 -0.001 0.000 0.286 797 H C 0.075 175.401 175.328 -0.002 0.000 1.106 797 H CA -1.010 55.033 56.048 -0.008 0.000 1.055 797 H CB -0.654 29.103 29.762 -0.008 0.000 1.618 797 H HN 0.473 nan 8.280 nan 0.000 0.559 798 I N 1.462 122.086 120.570 0.089 0.000 2.668 798 I HA -0.117 4.053 4.170 -0.001 0.000 0.285 798 I C 0.792 176.950 176.117 0.068 0.000 1.168 798 I CA 0.322 61.660 61.300 0.063 0.000 1.424 798 I CB 0.516 38.543 38.000 0.045 0.000 1.377 798 I HN 0.025 nan 8.210 nan 0.000 0.560 799 D N 4.798 125.235 120.400 0.061 0.000 2.713 799 D HA 0.031 4.670 4.640 -0.001 0.000 0.229 799 D C 1.225 177.563 176.300 0.063 0.000 1.136 799 D CA -0.049 53.984 54.000 0.054 0.000 1.010 799 D CB 0.338 41.163 40.800 0.043 0.000 1.084 799 D HN 0.547 nan 8.370 nan 0.000 0.495 800 S N 0.189 115.933 115.700 0.073 0.000 2.527 800 S HA 0.218 4.688 4.470 -0.001 0.000 0.222 800 S C 1.661 176.311 174.600 0.083 0.000 0.985 800 S CA 0.257 58.514 58.200 0.094 0.000 0.921 800 S CB -0.153 63.116 63.200 0.115 0.000 0.772 800 S HN 0.499 nan 8.310 nan 0.000 0.529 801 G N 3.360 112.199 108.800 0.064 0.000 2.646 801 G HA2 -0.439 3.521 3.960 -0.001 0.000 0.324 801 G HA3 -0.439 3.521 3.960 -0.001 0.000 0.324 801 G C 0.302 175.242 174.900 0.066 0.000 1.195 801 G CA 0.811 45.944 45.100 0.056 0.000 0.976 801 G HN 0.786 nan 8.290 nan 0.000 0.546 802 D N 0.078 120.521 120.400 0.072 0.000 2.440 802 D HA 0.340 4.979 4.640 -0.001 0.000 0.216 802 D C 0.685 177.065 176.300 0.133 0.000 1.150 802 D CA -0.243 53.817 54.000 0.099 0.000 0.832 802 D CB 0.279 41.123 40.800 0.073 0.000 0.992 802 D HN 0.432 nan 8.370 nan 0.000 0.502 803 I N 1.550 122.181 120.570 0.102 0.000 2.392 803 I HA 0.488 4.658 4.170 -0.001 0.000 0.295 803 I C -0.114 176.083 176.117 0.133 0.000 0.985 803 I CA -1.145 60.161 61.300 0.010 0.000 1.221 803 I CB 0.551 38.525 38.000 -0.044 0.000 1.366 803 I HN 0.006 nan 8.210 nan 0.000 0.467 804 F N 4.271 124.043 119.950 -0.297 0.000 2.711 804 F HA 0.687 5.214 4.527 -0.001 0.000 0.313 804 F C -2.022 173.431 175.800 -0.578 0.000 1.141 804 F CA -1.182 56.663 58.000 -0.258 0.000 0.941 804 F CB 1.545 40.465 39.000 -0.134 0.000 1.349 804 F HN 0.171 nan 8.300 nan 0.000 0.464 805 Y N 0.244 120.326 120.300 -0.364 0.000 2.425 805 Y HA 0.668 5.217 4.550 -0.001 0.000 0.344 805 Y C 0.012 175.748 175.900 -0.272 0.000 0.969 805 Y CA -0.715 57.040 58.100 -0.575 0.000 1.052 805 Y CB 2.454 40.156 38.460 -1.264 0.000 1.215 805 Y HN 0.867 nan 8.280 nan 0.000 0.451 806 T N -1.286 113.205 114.554 -0.105 0.000 2.906 806 T HA 0.473 4.823 4.350 -0.001 0.000 0.295 806 T C -1.026 173.505 174.700 -0.282 0.000 1.075 806 T CA -1.072 60.984 62.100 -0.073 0.000 1.005 806 T CB 1.993 70.789 68.868 -0.119 0.000 1.136 806 T HN 0.589 nan 8.240 nan 0.000 0.498 807 D N 1.114 121.191 120.400 -0.538 0.000 2.340 807 D HA 0.355 4.995 4.640 -0.001 0.000 0.251 807 D C -0.603 175.435 176.300 -0.437 0.000 1.080 807 D CA -0.803 52.691 54.000 -0.844 0.000 0.971 807 D CB 1.237 41.298 40.800 -1.231 0.000 1.137 807 D HN 0.557 nan 8.370 nan 0.000 0.475 808 L N 0.934 121.940 121.223 -0.361 0.000 2.316 808 L HA 0.219 4.559 4.340 -0.001 0.000 0.280 808 L C -0.124 176.622 176.870 -0.206 0.000 1.006 808 L CA -0.762 53.956 54.840 -0.204 0.000 0.836 808 L CB 0.406 42.407 42.059 -0.097 0.000 1.221 808 L HN 0.460 nan 8.230 nan 0.000 0.418 809 N N 2.103 120.690 118.700 -0.189 0.000 2.714 809 N HA -0.230 4.510 4.740 -0.001 0.000 0.250 809 N C 0.993 176.289 175.510 -0.356 0.000 1.117 809 N CA 0.902 53.837 53.050 -0.191 0.000 0.719 809 N CB -1.034 37.415 38.487 -0.064 0.000 1.081 809 N HN 1.073 nan 8.380 nan 0.000 0.557 810 G N -1.587 107.006 108.800 -0.344 0.000 2.155 810 G HA2 -0.337 3.622 3.960 -0.001 0.000 0.257 810 G HA3 -0.337 3.622 3.960 -0.001 0.000 0.257 810 G C 0.633 175.498 174.900 -0.059 0.000 0.983 810 G CA 0.691 45.613 45.100 -0.296 0.000 0.676 810 G HN 0.478 nan 8.290 nan 0.000 0.528 811 L N -0.295 120.836 121.223 -0.153 0.000 2.467 811 L HA 0.497 4.837 4.340 -0.001 0.000 0.213 811 L C 1.010 177.762 176.870 -0.198 0.000 1.053 811 L CA 1.948 56.614 54.840 -0.290 0.000 0.847 811 L CB 0.151 41.878 42.059 -0.553 0.000 1.075 811 L HN 0.701 nan 8.230 nan 0.000 0.479 812 Q N -1.769 117.919 119.800 -0.186 0.000 2.435 812 Q HA 0.351 4.691 4.340 -0.001 0.000 0.282 812 Q C -1.697 174.185 176.000 -0.197 0.000 1.020 812 Q CA -0.742 55.015 55.803 -0.077 0.000 0.820 812 Q CB 1.131 29.882 28.738 0.022 0.000 1.436 812 Q HN -0.039 nan 8.270 nan 0.000 0.395 813 F N 1.356 121.264 119.950 -0.070 0.000 2.436 813 F HA 0.592 5.118 4.527 -0.001 0.000 0.340 813 F C -0.142 175.619 175.800 -0.064 0.000 1.113 813 F CA -0.827 57.140 58.000 -0.055 0.000 1.022 813 F CB 1.643 40.650 39.000 0.012 0.000 1.128 813 F HN 0.529 nan 8.300 nan 0.000 0.466 814 I N 3.702 124.280 120.570 0.013 0.000 2.474 814 I HA 0.332 4.501 4.170 -0.001 0.000 0.294 814 I C -0.461 175.529 176.117 -0.210 0.000 1.005 814 I CA -0.901 60.355 61.300 -0.073 0.000 1.113 814 I CB 1.288 39.198 38.000 -0.150 0.000 1.289 814 I HN 0.504 nan 8.210 nan 0.000 0.436 815 K N 6.707 126.941 120.400 -0.276 0.000 2.412 815 K HA 0.241 4.560 4.320 -0.001 0.000 0.281 815 K C -0.832 175.337 176.600 -0.718 0.000 1.027 815 K CA -0.336 55.526 56.287 -0.709 0.000 0.989 815 K CB 0.491 32.708 32.500 -0.471 0.000 0.935 815 K HN 0.494 nan 8.250 nan 0.000 0.475 816 R N 3.305 123.201 120.500 -1.006 0.000 2.664 816 R HA 0.350 4.690 4.340 -0.001 0.000 0.286 816 R C -0.487 175.337 176.300 -0.793 0.000 0.967 816 R CA -0.785 54.658 56.100 -1.096 0.000 0.933 816 R CB 1.535 30.663 30.300 -1.953 0.000 1.146 816 R HN 0.654 nan 8.270 nan 0.000 0.468 817 R N 1.545 121.784 120.500 -0.435 0.000 2.476 817 R HA 0.283 4.622 4.340 -0.001 0.000 0.305 817 R C -0.459 175.878 176.300 0.063 0.000 0.965 817 R CA -0.661 55.357 56.100 -0.138 0.000 0.867 817 R CB 1.496 31.749 30.300 -0.077 0.000 1.176 817 R HN 0.529 nan 8.270 nan 0.000 0.447 818 R N 4.910 125.547 120.500 0.229 0.000 2.522 818 R HA 0.111 4.451 4.340 -0.001 0.000 0.284 818 R C -0.950 175.431 176.300 0.135 0.000 1.032 818 R CA 0.262 56.526 56.100 0.273 0.000 1.049 818 R CB 0.387 30.839 30.300 0.254 0.000 0.956 818 R HN 0.541 nan 8.270 nan 0.000 0.422 819 L N 4.905 126.188 121.223 0.100 0.000 2.342 819 L HA 0.222 4.562 4.340 -0.001 0.000 0.276 819 L C 0.162 177.027 176.870 -0.007 0.000 0.997 819 L CA -0.694 54.164 54.840 0.030 0.000 0.838 819 L CB 1.973 44.023 42.059 -0.014 0.000 1.224 819 L HN 0.633 nan 8.230 nan 0.000 0.416 820 D N 1.514 121.916 120.400 0.003 0.000 2.348 820 D HA -0.108 4.531 4.640 -0.001 0.000 0.216 820 D C 1.722 178.007 176.300 -0.026 0.000 0.970 820 D CA 0.788 54.785 54.000 -0.006 0.000 0.889 820 D CB 0.370 41.175 40.800 0.009 0.000 0.912 820 D HN 0.553 nan 8.370 nan 0.000 0.524 821 K N 0.135 120.512 120.400 -0.038 0.000 2.432 821 K HA 0.011 4.331 4.320 -0.001 0.000 0.196 821 K C 0.684 177.226 176.600 -0.097 0.000 1.038 821 K CA 0.368 56.628 56.287 -0.044 0.000 0.986 821 K CB 0.318 32.806 32.500 -0.020 0.000 0.782 821 K HN 0.101 nan 8.250 nan 0.000 0.485 822 L N 2.353 123.480 121.223 -0.159 0.000 2.334 822 L HA 0.452 4.792 4.340 -0.001 0.000 0.272 822 L C -2.213 174.553 176.870 -0.173 0.000 1.020 822 L CA -2.873 51.831 54.840 -0.226 0.000 0.812 822 L CB 1.317 43.147 42.059 -0.382 0.000 1.264 822 L HN -0.038 nan 8.230 nan 0.000 0.439 823 P HA 0.051 nan 4.420 nan 0.000 0.274 823 P C 0.822 177.997 177.300 -0.209 0.000 1.256 823 P CA -0.454 62.549 63.100 -0.163 0.000 0.795 823 P CB 1.252 32.874 31.700 -0.129 0.000 1.038 824 L N 0.806 121.935 121.223 -0.157 0.000 1.997 824 L HA -0.274 4.065 4.340 -0.001 0.000 0.216 824 L C 2.485 179.265 176.870 -0.150 0.000 1.074 824 L CA 1.928 56.701 54.840 -0.113 0.000 0.763 824 L CB -0.671 41.321 42.059 -0.112 0.000 0.890 824 L HN 0.424 nan 8.230 nan 0.000 0.434 825 Q N -0.285 119.317 119.800 -0.329 0.000 2.364 825 Q HA -0.168 4.172 4.340 -0.001 0.000 0.209 825 Q C 1.853 177.745 176.000 -0.181 0.000 0.977 825 Q CA 1.463 57.103 55.803 -0.271 0.000 0.885 825 Q CB -0.509 27.985 28.738 -0.406 0.000 0.941 825 Q HN 0.614 nan 8.270 nan 0.000 0.464 826 A N 1.537 124.046 122.820 -0.518 0.000 2.067 826 A HA -0.050 4.269 4.320 -0.001 0.000 0.217 826 A C 1.657 179.065 177.584 -0.294 0.000 1.156 826 A CA 0.810 52.400 52.037 -0.745 0.000 0.683 826 A CB -0.193 18.005 19.000 -1.338 0.000 0.808 826 A HN 0.352 nan 8.150 nan 0.000 0.455 827 N N -1.205 117.434 118.700 -0.102 0.000 2.398 827 N HA 0.052 4.792 4.740 -0.001 0.000 0.188 827 N C -0.843 174.766 175.510 0.164 0.000 1.122 827 N CA 0.202 53.309 53.050 0.096 0.000 0.866 827 N CB 0.059 38.647 38.487 0.168 0.000 0.970 827 N HN 0.458 nan 8.380 nan 0.000 0.462 828 Y N 0.287 120.544 120.300 -0.071 0.000 2.304 828 Y HA 0.207 4.756 4.550 -0.001 0.000 0.328 828 Y C -0.184 175.648 175.900 -0.114 0.000 1.123 828 Y CA -0.124 58.010 58.100 0.057 0.000 1.218 828 Y CB 0.392 38.962 38.460 0.183 0.000 1.207 828 Y HN -0.066 nan 8.280 nan 0.000 0.495 829 Y N 3.379 123.812 120.300 0.221 0.000 2.605 829 Y HA 0.449 4.998 4.550 -0.001 0.000 0.343 829 Y C -2.278 173.321 175.900 -0.503 0.000 1.036 829 Y CA -2.865 55.209 58.100 -0.044 0.000 1.065 829 Y CB 1.627 40.060 38.460 -0.044 0.000 1.288 829 Y HN 0.443 nan 8.280 nan 0.000 0.481 830 P HA 0.123 nan 4.420 nan 0.000 0.271 830 P C -0.663 176.400 177.300 -0.395 0.000 1.216 830 P CA 0.209 62.742 63.100 -0.946 0.000 0.776 830 P CB 0.616 31.655 31.700 -1.101 0.000 0.881 831 I N 4.820 125.240 120.570 -0.249 0.000 2.620 831 I HA 0.173 4.342 4.170 -0.001 0.000 0.280 831 I C -1.732 174.318 176.117 -0.113 0.000 1.143 831 I CA -2.495 58.730 61.300 -0.126 0.000 1.163 831 I CB 0.745 38.725 38.000 -0.033 0.000 1.461 831 I HN 0.193 nan 8.210 nan 0.000 0.530 832 P HA -0.044 nan 4.420 nan 0.000 0.222 832 P C 1.061 178.332 177.300 -0.049 0.000 1.153 832 P CA 1.164 64.195 63.100 -0.114 0.000 0.798 832 P CB 0.600 32.205 31.700 -0.159 0.000 0.796 833 S N -3.444 112.229 115.700 -0.044 0.000 2.560 833 S HA 0.469 4.938 4.470 -0.001 0.000 0.281 833 S C 0.564 175.247 174.600 0.138 0.000 1.075 833 S CA 0.351 58.580 58.200 0.048 0.000 1.295 833 S CB 0.290 63.540 63.200 0.083 0.000 1.156 833 S HN 0.323 nan 8.310 nan 0.000 0.627 834 G N 1.526 110.415 108.800 0.148 0.000 2.466 834 G HA2 0.551 4.510 3.960 -0.001 0.000 0.291 834 G HA3 0.551 4.510 3.960 -0.001 0.000 0.291 834 G C -1.472 173.670 174.900 0.402 0.000 1.460 834 G CA -0.426 44.882 45.100 0.347 0.000 0.791 834 G HN 0.882 nan 8.290 nan 0.000 0.505 835 M N -0.675 119.180 119.600 0.424 0.000 2.578 835 M HA 0.900 5.380 4.480 -0.001 0.000 0.276 835 M C -1.686 174.848 176.300 0.390 0.000 1.245 835 M CA -1.025 54.490 55.300 0.359 0.000 0.871 835 M CB 2.558 35.280 32.600 0.203 0.000 1.722 835 M HN 1.194 nan 8.290 nan 0.000 0.473 836 F N 0.716 120.806 119.950 0.233 0.000 2.686 836 F HA 0.903 5.430 4.527 -0.001 0.000 0.311 836 F C -1.757 174.175 175.800 0.219 0.000 1.128 836 F CA -1.216 56.863 58.000 0.131 0.000 0.946 836 F CB 1.076 40.069 39.000 -0.012 0.000 1.336 836 F HN 0.786 nan 8.300 nan 0.000 0.457 837 I N -0.226 120.575 120.570 0.385 0.000 2.785 837 I HA 0.896 5.065 4.170 -0.001 0.000 0.302 837 I C -1.380 174.920 176.117 0.305 0.000 1.069 837 I CA -0.902 60.591 61.300 0.322 0.000 1.045 837 I CB 2.414 40.519 38.000 0.174 0.000 1.236 837 I HN 0.954 nan 8.210 nan 0.000 0.429 838 E N 1.917 122.279 120.200 0.270 0.000 2.407 838 E HA 0.520 4.869 4.350 -0.001 0.000 0.279 838 E C -2.071 174.611 176.600 0.137 0.000 1.012 838 E CA -0.836 55.668 56.400 0.173 0.000 0.800 838 E CB 2.226 32.021 29.700 0.157 0.000 1.276 838 E HN 0.743 nan 8.360 nan 0.000 0.452 839 D N 0.704 121.154 120.400 0.084 0.000 2.723 839 D HA 0.462 5.102 4.640 -0.001 0.000 0.247 839 D C 0.929 177.257 176.300 0.047 0.000 1.134 839 D CA -0.154 53.887 54.000 0.068 0.000 1.099 839 D CB 0.098 40.931 40.800 0.055 0.000 1.287 839 D HN 0.453 nan 8.370 nan 0.000 0.634 840 A N -0.650 122.192 122.820 0.036 0.000 1.978 840 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 840 A C 1.559 179.147 177.584 0.007 0.000 1.170 840 A CA 1.625 53.675 52.037 0.022 0.000 0.636 840 A CB -0.717 18.295 19.000 0.019 0.000 0.810 840 A HN 0.527 nan 8.150 nan 0.000 0.448 841 N N -1.806 116.898 118.700 0.006 0.000 2.397 841 N HA 0.076 4.816 4.740 -0.001 0.000 0.190 841 N C -0.464 175.036 175.510 -0.017 0.000 1.099 841 N CA 0.730 53.776 53.050 -0.007 0.000 0.876 841 N CB 0.667 39.152 38.487 -0.004 0.000 1.143 841 N HN 0.309 nan 8.380 nan 0.000 0.468 842 T N 0.575 115.124 114.554 -0.009 0.000 2.886 842 T HA 0.439 4.789 4.350 -0.001 0.000 0.292 842 T C -0.590 174.102 174.700 -0.014 0.000 1.012 842 T CA -0.649 61.440 62.100 -0.019 0.000 0.982 842 T CB 2.817 71.679 68.868 -0.011 0.000 1.018 842 T HN -0.046 nan 8.240 nan 0.000 0.451 843 R N 2.044 122.519 120.500 -0.042 0.000 2.686 843 R HA 0.736 5.076 4.340 -0.001 0.000 0.286 843 R C -1.904 174.372 176.300 -0.040 0.000 0.969 843 R CA -0.917 55.159 56.100 -0.041 0.000 0.898 843 R CB 1.269 31.482 30.300 -0.144 0.000 1.183 843 R HN 0.452 nan 8.270 nan 0.000 0.456 844 L N 2.713 123.941 121.223 0.008 0.000 2.343 844 L HA 0.482 4.821 4.340 -0.001 0.000 0.278 844 L C -1.290 175.615 176.870 0.059 0.000 0.996 844 L CA 0.075 54.914 54.840 -0.002 0.000 0.831 844 L CB 2.211 44.257 42.059 -0.021 0.000 1.232 844 L HN 0.638 nan 8.230 nan 0.000 0.413 845 T N 5.609 120.178 114.554 0.024 0.000 2.797 845 T HA 0.570 4.919 4.350 -0.001 0.000 0.279 845 T C -1.007 173.752 174.700 0.097 0.000 0.991 845 T CA -0.289 61.862 62.100 0.084 0.000 0.979 845 T CB 1.425 70.274 68.868 -0.032 0.000 0.943 845 T HN 0.436 nan 8.240 nan 0.000 0.444 846 L N 5.034 126.350 121.223 0.155 0.000 2.298 846 L HA 0.526 4.865 4.340 -0.001 0.000 0.284 846 L C -1.296 175.711 176.870 0.228 0.000 1.013 846 L CA -0.722 54.220 54.840 0.170 0.000 0.824 846 L CB 0.598 42.739 42.059 0.136 0.000 1.221 846 L HN 0.414 nan 8.230 nan 0.000 0.418 847 L N 4.139 125.498 121.223 0.226 0.000 2.325 847 L HA 0.628 4.968 4.340 -0.001 0.000 0.279 847 L C 0.264 177.272 176.870 0.230 0.000 1.054 847 L CA -0.213 54.757 54.840 0.217 0.000 0.804 847 L CB 1.432 43.587 42.059 0.160 0.000 1.200 847 L HN 0.602 nan 8.230 nan 0.000 0.436 848 T N 0.519 115.163 114.554 0.151 0.000 2.885 848 T HA 0.488 4.837 4.350 -0.001 0.000 0.285 848 T C 0.859 175.517 174.700 -0.070 0.000 1.019 848 T CA -0.360 61.751 62.100 0.018 0.000 1.010 848 T CB 1.938 70.842 68.868 0.061 0.000 1.022 848 T HN 0.776 nan 8.240 nan 0.000 0.466 849 G N 1.404 110.088 108.800 -0.194 0.000 3.284 849 G HA2 0.338 4.297 3.960 -0.001 0.000 0.236 849 G HA3 0.338 4.297 3.960 -0.001 0.000 0.236 849 G C 0.133 174.960 174.900 -0.120 0.000 1.158 849 G CA -0.273 44.743 45.100 -0.141 0.000 0.774 849 G HN 0.607 nan 8.290 nan 0.000 0.545 850 Q N -0.211 119.515 119.800 -0.123 0.000 2.479 850 Q HA 0.299 4.639 4.340 -0.001 0.000 0.276 850 Q C -3.542 172.418 176.000 -0.067 0.000 0.989 850 Q CA -2.301 53.456 55.803 -0.078 0.000 0.864 850 Q CB 1.908 30.612 28.738 -0.057 0.000 1.444 850 Q HN -0.007 nan 8.270 nan 0.000 0.388 851 P HA 0.452 nan 4.420 nan 0.000 0.281 851 P C -0.702 176.586 177.300 -0.020 0.000 1.252 851 P CA -0.147 62.936 63.100 -0.028 0.000 0.778 851 P CB 0.977 32.669 31.700 -0.014 0.000 0.895 852 L N 1.698 122.905 121.223 -0.028 0.000 2.403 852 L HA 0.661 5.000 4.340 -0.001 0.000 0.253 852 L C 0.784 177.673 176.870 0.031 0.000 1.045 852 L CA -1.147 53.699 54.840 0.011 0.000 0.845 852 L CB 2.108 44.158 42.059 -0.014 0.000 1.447 852 L HN 0.339 nan 8.230 nan 0.000 0.411 853 G N -0.883 107.989 108.800 0.121 0.000 2.448 853 G HA2 0.659 4.618 3.960 -0.001 0.000 0.285 853 G HA3 0.659 4.618 3.960 -0.001 0.000 0.285 853 G C -0.437 174.487 174.900 0.039 0.000 1.176 853 G CA 0.176 45.398 45.100 0.204 0.000 0.852 853 G HN 0.877 nan 8.290 nan 0.000 0.530 854 G N -1.449 107.191 108.800 -0.266 0.000 2.550 854 G HA2 0.668 4.627 3.960 -0.001 0.000 0.293 854 G HA3 0.668 4.627 3.960 -0.001 0.000 0.293 854 G C -1.178 173.272 174.900 -0.749 0.000 1.402 854 G CA 0.444 45.194 45.100 -0.582 0.000 0.784 854 G HN 1.260 nan 8.290 nan 0.000 0.482 855 S N -1.881 113.442 115.700 -0.629 0.000 2.703 855 S HA 0.735 5.204 4.470 -0.001 0.000 0.273 855 S C -1.536 172.617 174.600 -0.744 0.000 1.178 855 S CA 0.317 58.154 58.200 -0.605 0.000 0.838 855 S CB 1.335 64.251 63.200 -0.473 0.000 1.178 855 S HN 1.550 nan 8.310 nan 0.000 0.494 856 S N 1.613 116.589 115.700 -1.207 0.000 2.745 856 S HA 0.488 4.958 4.470 -0.001 0.000 0.283 856 S C 0.125 174.481 174.600 -0.408 0.000 1.170 856 S CA -0.634 57.119 58.200 -0.745 0.000 1.119 856 S CB -0.004 62.702 63.200 -0.824 0.000 1.035 856 S HN 0.576 nan 8.310 nan 0.000 0.483 857 L N 3.141 124.261 121.223 -0.173 0.000 2.558 857 L HA 0.496 4.835 4.340 -0.001 0.000 0.225 857 L C 0.858 177.720 176.870 -0.013 0.000 1.128 857 L CA 0.244 55.062 54.840 -0.038 0.000 0.868 857 L CB 0.021 42.114 42.059 0.056 0.000 1.006 857 L HN 0.696 nan 8.230 nan 0.000 0.454 858 A N -1.127 121.673 122.820 -0.033 0.000 2.612 858 A HA 0.455 4.774 4.320 -0.001 0.000 0.293 858 A C -0.463 177.118 177.584 -0.005 0.000 1.075 858 A CA -0.444 51.592 52.037 -0.003 0.000 0.680 858 A CB 1.235 20.240 19.000 0.008 0.000 1.279 858 A HN -0.129 nan 8.150 nan 0.000 0.411 859 S N 0.024 115.734 115.700 0.017 0.000 2.563 859 S HA 0.407 4.876 4.470 -0.001 0.000 0.294 859 S C 1.443 176.062 174.600 0.031 0.000 1.279 859 S CA 1.778 59.996 58.200 0.029 0.000 1.069 859 S CB -0.174 63.047 63.200 0.034 0.000 0.828 859 S HN 2.668 nan 8.310 nan 0.000 0.497 860 G N 3.468 112.288 108.800 0.034 0.000 2.175 860 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.244 860 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.244 860 G C -0.203 174.696 174.900 -0.002 0.000 0.982 860 G CA 0.294 45.415 45.100 0.036 0.000 0.641 860 G HN 0.713 nan 8.290 nan 0.000 0.527 861 E N -0.392 119.791 120.200 -0.029 0.000 2.202 861 E HA 0.752 5.101 4.350 -0.001 0.000 0.272 861 E C -0.206 176.330 176.600 -0.105 0.000 0.951 861 E CA -0.709 55.652 56.400 -0.066 0.000 0.813 861 E CB 1.797 31.460 29.700 -0.063 0.000 1.151 861 E HN 0.248 nan 8.360 nan 0.000 0.398 862 L N 1.858 123.013 121.223 -0.115 0.000 2.381 862 L HA 0.479 4.818 4.340 -0.001 0.000 0.268 862 L C -0.527 176.269 176.870 -0.123 0.000 0.997 862 L CA -0.642 54.119 54.840 -0.131 0.000 0.818 862 L CB 1.953 43.964 42.059 -0.080 0.000 1.310 862 L HN 0.652 nan 8.230 nan 0.000 0.416 863 E N 2.904 123.023 120.200 -0.134 0.000 2.366 863 E HA 0.697 5.046 4.350 -0.001 0.000 0.278 863 E C -1.571 174.977 176.600 -0.085 0.000 0.923 863 E CA -0.832 55.520 56.400 -0.080 0.000 0.761 863 E CB 3.323 33.023 29.700 -0.000 0.000 1.231 863 E HN 0.534 nan 8.360 nan 0.000 0.443 864 I N 2.361 122.919 120.570 -0.020 0.000 2.571 864 I HA 0.322 4.492 4.170 -0.001 0.000 0.289 864 I C -1.340 174.840 176.117 0.104 0.000 1.115 864 I CA -1.115 60.196 61.300 0.019 0.000 1.045 864 I CB 1.927 39.942 38.000 0.024 0.000 1.238 864 I HN 0.781 nan 8.210 nan 0.000 0.424 865 M N 6.296 125.996 119.600 0.167 0.000 2.238 865 M HA 0.216 4.695 4.480 -0.001 0.000 0.347 865 M C 0.579 176.979 176.300 0.166 0.000 1.173 865 M CA 0.643 56.049 55.300 0.178 0.000 1.147 865 M CB 0.911 33.591 32.600 0.133 0.000 1.547 865 M HN 0.575 nan 8.290 nan 0.000 0.455 866 Q N 1.406 121.337 119.800 0.219 0.000 2.304 866 Q HA 0.259 4.598 4.340 -0.001 0.000 0.204 866 Q C -0.260 175.948 176.000 0.347 0.000 0.936 866 Q CA 0.784 56.785 55.803 0.329 0.000 0.878 866 Q CB 0.408 29.367 28.738 0.368 0.000 0.983 866 Q HN 0.766 nan 8.270 nan 0.000 0.516 867 D N -0.884 119.650 120.400 0.224 0.000 2.671 867 D HA 0.298 4.937 4.640 -0.001 0.000 0.273 867 D C -1.439 174.932 176.300 0.118 0.000 1.264 867 D CA -0.489 53.619 54.000 0.179 0.000 0.788 867 D CB 1.450 42.346 40.800 0.161 0.000 1.324 867 D HN 0.035 nan 8.370 nan 0.000 0.424 868 R N 0.782 121.341 120.500 0.098 0.000 2.584 868 R HA 0.663 5.003 4.340 -0.001 0.000 0.276 868 R C -1.117 175.228 176.300 0.075 0.000 1.046 868 R CA -1.040 55.102 56.100 0.070 0.000 0.906 868 R CB 2.014 32.329 30.300 0.024 0.000 1.215 868 R HN 0.320 nan 8.270 nan 0.000 0.449 869 R N 3.699 124.241 120.500 0.070 0.000 2.451 869 R HA 0.470 4.809 4.340 -0.001 0.000 0.307 869 R C -1.486 174.850 176.300 0.060 0.000 0.965 869 R CA -0.577 55.560 56.100 0.063 0.000 0.865 869 R CB 1.241 31.574 30.300 0.056 0.000 1.174 869 R HN 0.707 nan 8.270 nan 0.000 0.455 870 L N 3.935 125.191 121.223 0.056 0.000 2.406 870 L HA 0.510 4.850 4.340 -0.001 0.000 0.272 870 L C 0.688 177.585 176.870 0.046 0.000 0.980 870 L CA -0.482 54.390 54.840 0.053 0.000 0.831 870 L CB 2.152 44.242 42.059 0.053 0.000 1.253 870 L HN 0.791 nan 8.230 nan 0.000 0.406 871 A N 1.582 124.427 122.820 0.042 0.000 2.072 871 A HA 0.177 4.496 4.320 -0.001 0.000 0.216 871 A C 0.943 178.547 177.584 0.032 0.000 1.156 871 A CA 0.612 52.670 52.037 0.035 0.000 0.701 871 A CB 0.029 19.048 19.000 0.032 0.000 0.816 871 A HN 0.608 nan 8.150 nan 0.000 0.458 872 S N -0.223 115.497 115.700 0.033 0.000 2.638 872 S HA 0.423 4.892 4.470 -0.001 0.000 0.298 872 S C -0.642 173.978 174.600 0.032 0.000 1.111 872 S CA -0.657 57.560 58.200 0.028 0.000 1.027 872 S CB 1.461 64.675 63.200 0.024 0.000 1.064 872 S HN 0.478 nan 8.310 nan 0.000 0.525 873 D N 0.203 120.622 120.400 0.031 0.000 2.304 873 D HA 0.232 4.872 4.640 -0.001 0.000 0.247 873 D C -0.107 176.210 176.300 0.029 0.000 1.089 873 D CA -0.425 53.599 54.000 0.041 0.000 0.910 873 D CB 0.692 41.516 40.800 0.041 0.000 1.199 873 D HN 0.497 nan 8.370 nan 0.000 0.426 874 D N 2.040 122.462 120.400 0.037 0.000 2.427 874 D HA 0.058 4.697 4.640 -0.001 0.000 0.224 874 D C -0.366 175.904 176.300 -0.050 0.000 1.157 874 D CA -0.246 53.747 54.000 -0.012 0.000 0.828 874 D CB -0.369 40.412 40.800 -0.031 0.000 0.974 874 D HN 0.647 nan 8.370 nan 0.000 0.498 875 E N -0.218 119.976 120.200 -0.010 0.000 2.694 875 E HA -0.204 4.145 4.350 -0.001 0.000 0.272 875 E C 0.264 176.838 176.600 -0.043 0.000 1.040 875 E CA 0.146 56.536 56.400 -0.015 0.000 0.809 875 E CB -0.715 28.971 29.700 -0.024 0.000 1.389 875 E HN 0.271 nan 8.360 nan 0.000 0.413 876 R N -0.682 119.781 120.500 -0.062 0.000 2.437 876 R HA 0.199 4.538 4.340 -0.001 0.000 0.257 876 R C 1.431 177.810 176.300 0.131 0.000 0.927 876 R CA 0.785 56.805 56.100 -0.132 0.000 1.078 876 R CB 1.231 31.124 30.300 -0.679 0.000 1.161 876 R HN 0.398 nan 8.270 nan 0.000 0.529 877 G N 0.809 109.752 108.800 0.239 0.000 2.211 877 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.201 877 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.201 877 G C 0.675 175.706 174.900 0.218 0.000 0.997 877 G CA 0.149 45.459 45.100 0.349 0.000 0.652 877 G HN 0.254 nan 8.290 nan 0.000 0.500 878 L N 1.518 122.939 121.223 0.330 0.000 2.156 878 L HA 0.471 4.811 4.340 -0.001 0.000 0.208 878 L C 2.159 179.013 176.870 -0.026 0.000 1.095 878 L CA 2.571 57.474 54.840 0.105 0.000 0.770 878 L CB -0.517 41.768 42.059 0.376 0.000 0.914 878 L HN 1.627 nan 8.230 nan 0.000 0.439 879 G N -0.346 108.475 108.800 0.034 0.000 2.160 879 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.251 879 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.251 879 G C 0.071 174.978 174.900 0.011 0.000 1.008 879 G CA 0.656 45.760 45.100 0.006 0.000 0.724 879 G HN 0.780 nan 8.290 nan 0.000 0.514 880 Q N -1.982 117.838 119.800 0.033 0.000 2.522 880 Q HA 0.678 5.018 4.340 -0.001 0.000 0.285 880 Q C 0.397 176.425 176.000 0.047 0.000 0.982 880 Q CA -0.630 55.193 55.803 0.033 0.000 0.805 880 Q CB 0.558 29.312 28.738 0.028 0.000 1.457 880 Q HN 0.899 nan 8.270 nan 0.000 0.394 881 G N 0.127 108.952 108.800 0.042 0.000 2.531 881 G HA2 0.503 4.462 3.960 -0.001 0.000 0.253 881 G HA3 0.503 4.462 3.960 -0.001 0.000 0.253 881 G C -0.914 174.015 174.900 0.048 0.000 1.439 881 G CA -0.628 44.499 45.100 0.045 0.000 1.056 881 G HN 0.411 nan 8.290 nan 0.000 0.555 882 V N 0.841 120.786 119.914 0.051 0.000 2.305 882 V HA 0.354 4.473 4.120 -0.001 0.000 0.275 882 V C 0.033 176.163 176.094 0.060 0.000 1.020 882 V CA -0.148 62.189 62.300 0.061 0.000 0.811 882 V CB 0.896 32.760 31.823 0.067 0.000 1.031 882 V HN 0.534 nan 8.190 nan 0.000 0.439 883 L N 3.357 124.614 121.223 0.057 0.000 3.333 883 L HA 0.334 4.674 4.340 -0.001 0.000 0.299 883 L C 0.527 177.426 176.870 0.049 0.000 1.256 883 L CA 0.032 54.901 54.840 0.048 0.000 1.037 883 L CB 0.745 42.827 42.059 0.038 0.000 1.423 883 L HN 0.672 nan 8.230 nan 0.000 0.605 884 D N -2.143 118.295 120.400 0.063 0.000 2.559 884 D HA 0.057 4.696 4.640 -0.001 0.000 0.234 884 D C 0.131 176.474 176.300 0.072 0.000 1.226 884 D CA -0.427 53.611 54.000 0.064 0.000 0.830 884 D CB -0.200 40.646 40.800 0.076 0.000 1.028 884 D HN 0.039 nan 8.370 nan 0.000 0.492 885 N N 1.936 120.677 118.700 0.067 0.000 2.395 885 N HA 0.039 4.778 4.740 -0.001 0.000 0.246 885 N C 0.331 175.854 175.510 0.021 0.000 1.246 885 N CA 0.650 53.740 53.050 0.066 0.000 0.879 885 N CB 0.926 39.448 38.487 0.058 0.000 1.098 885 N HN 0.437 nan 8.380 nan 0.000 0.444 886 K N 0.014 120.414 120.400 0.000 0.000 2.512 886 K HA 0.544 4.863 4.320 -0.001 0.000 0.263 886 K C -3.246 173.330 176.600 -0.040 0.000 0.966 886 K CA -1.874 54.370 56.287 -0.072 0.000 0.851 886 K CB 1.317 33.694 32.500 -0.205 0.000 1.395 886 K HN 0.078 nan 8.250 nan 0.000 0.440 887 P HA 0.007 nan 4.420 nan 0.000 0.265 887 P C -1.074 176.244 177.300 0.030 0.000 1.193 887 P CA -0.465 62.615 63.100 -0.033 0.000 0.765 887 P CB 0.815 32.483 31.700 -0.053 0.000 0.823 888 V N 5.060 124.956 119.914 -0.030 0.000 2.789 888 V HA 0.467 4.587 4.120 -0.001 0.000 0.311 888 V C -1.291 174.673 176.094 -0.218 0.000 1.073 888 V CA -1.084 61.171 62.300 -0.075 0.000 0.921 888 V CB 2.093 33.849 31.823 -0.112 0.000 1.009 888 V HN 0.272 nan 8.190 nan 0.000 0.426 889 L N 6.981 128.102 121.223 -0.169 0.000 2.272 889 L HA 0.586 4.925 4.340 -0.001 0.000 0.284 889 L C -0.355 176.497 176.870 -0.030 0.000 1.045 889 L CA 0.126 54.903 54.840 -0.104 0.000 0.842 889 L CB 0.260 42.279 42.059 -0.067 0.000 1.224 889 L HN 0.692 nan 8.230 nan 0.000 0.430 890 H N 5.530 124.613 119.070 0.023 0.000 2.525 890 H HA 0.491 5.046 4.556 -0.001 0.000 0.339 890 H C -0.093 175.132 175.328 -0.172 0.000 1.109 890 H CA -0.235 55.770 56.048 -0.072 0.000 1.352 890 H CB 1.294 31.079 29.762 0.039 0.000 1.461 890 H HN 0.681 nan 8.280 nan 0.000 0.533 891 I N 0.158 120.555 120.570 -0.289 0.000 2.689 891 I HA 0.603 4.772 4.170 -0.001 0.000 0.299 891 I C -1.451 174.307 176.117 -0.599 0.000 1.059 891 I CA -0.943 60.200 61.300 -0.262 0.000 1.055 891 I CB 2.116 40.055 38.000 -0.102 0.000 1.243 891 I HN 0.244 nan 8.210 nan 0.000 0.425 892 Y N 2.716 123.056 120.300 0.067 0.000 2.625 892 Y HA 0.691 5.240 4.550 -0.001 0.000 0.338 892 Y C -0.600 175.344 175.900 0.074 0.000 1.123 892 Y CA -1.075 57.071 58.100 0.077 0.000 1.046 892 Y CB 1.646 40.171 38.460 0.108 0.000 1.299 892 Y HN 0.422 nan 8.280 nan 0.000 0.464 893 R N 1.428 122.077 120.500 0.250 0.000 2.670 893 R HA 0.629 4.969 4.340 -0.001 0.000 0.289 893 R C -1.901 174.505 176.300 0.176 0.000 0.965 893 R CA -1.162 55.043 56.100 0.174 0.000 0.899 893 R CB 2.657 33.019 30.300 0.103 0.000 1.173 893 R HN 0.653 nan 8.270 nan 0.000 0.456 894 L N 2.116 123.425 121.223 0.143 0.000 2.343 894 L HA 0.460 4.799 4.340 -0.001 0.000 0.278 894 L C -1.238 175.661 176.870 0.049 0.000 0.996 894 L CA -0.583 54.319 54.840 0.104 0.000 0.831 894 L CB 1.932 44.069 42.059 0.129 0.000 1.232 894 L HN 0.320 nan 8.230 nan 0.000 0.413 895 V N 6.192 126.118 119.914 0.020 0.000 2.349 895 V HA 0.410 4.530 4.120 -0.001 0.000 0.284 895 V C -0.438 175.632 176.094 -0.040 0.000 1.014 895 V CA -0.575 61.717 62.300 -0.013 0.000 0.826 895 V CB 1.416 33.223 31.823 -0.026 0.000 1.009 895 V HN 0.639 nan 8.190 nan 0.000 0.431 896 L N 5.178 126.374 121.223 -0.046 0.000 2.275 896 L HA 0.698 5.038 4.340 -0.001 0.000 0.288 896 L C -0.145 176.687 176.870 -0.063 0.000 1.046 896 L CA 0.674 55.479 54.840 -0.059 0.000 0.805 896 L CB 1.093 43.115 42.059 -0.062 0.000 1.193 896 L HN 0.733 nan 8.230 nan 0.000 0.426 897 E N 3.529 123.686 120.200 -0.073 0.000 2.383 897 E HA 0.414 4.763 4.350 -0.001 0.000 0.275 897 E C -1.261 175.296 176.600 -0.072 0.000 0.918 897 E CA -1.168 55.185 56.400 -0.078 0.000 0.764 897 E CB 1.589 31.226 29.700 -0.105 0.000 1.252 897 E HN 0.265 nan 8.360 nan 0.000 0.449 898 K N 1.520 121.881 120.400 -0.065 0.000 2.297 898 K HA 0.183 4.503 4.320 -0.001 0.000 0.286 898 K C 0.401 176.961 176.600 -0.068 0.000 1.053 898 K CA -0.099 56.154 56.287 -0.057 0.000 0.940 898 K CB 1.175 33.646 32.500 -0.048 0.000 1.019 898 K HN 0.462 nan 8.250 nan 0.000 0.475 899 V N -0.406 119.469 119.914 -0.065 0.000 3.346 899 V HA 0.019 4.139 4.120 -0.001 0.000 0.309 899 V C 1.194 177.255 176.094 -0.055 0.000 1.457 899 V CA -0.279 61.975 62.300 -0.077 0.000 1.069 899 V CB -0.267 31.495 31.823 -0.102 0.000 0.944 899 V HN 0.602 nan 8.190 nan 0.000 0.449 900 N N 1.425 120.101 118.700 -0.040 0.000 2.364 900 N HA -0.179 4.560 4.740 -0.001 0.000 0.183 900 N C 1.013 176.504 175.510 -0.032 0.000 1.022 900 N CA 1.596 54.629 53.050 -0.029 0.000 0.883 900 N CB -0.510 37.965 38.487 -0.021 0.000 0.965 900 N HN 0.532 nan 8.380 nan 0.000 0.438 901 N N 0.044 118.720 118.700 -0.040 0.000 2.336 901 N HA 0.076 4.815 4.740 -0.001 0.000 0.189 901 N C -0.310 175.171 175.510 -0.048 0.000 1.113 901 N CA -0.114 52.913 53.050 -0.039 0.000 0.858 901 N CB 0.087 38.550 38.487 -0.039 0.000 0.970 901 N HN 0.216 nan 8.380 nan 0.000 0.471 902 c N 1.133 119.698 118.600 -0.058 0.000 2.601 902 c HA 0.265 4.835 4.570 -0.001 0.000 0.409 902 c C 1.048 175.102 174.090 -0.061 0.000 1.293 902 c CA -0.904 55.382 56.329 -0.071 0.000 2.101 902 c CB 0.865 43.319 42.510 -0.093 0.000 2.639 902 c HN 0.012 nan 8.230 nan 0.000 0.592 903 V N 5.521 125.394 119.914 -0.068 0.000 2.370 903 V HA 0.209 4.328 4.120 -0.001 0.000 0.257 903 V C 0.641 176.697 176.094 -0.064 0.000 1.064 903 V CA 0.338 62.602 62.300 -0.060 0.000 0.975 903 V CB -0.737 31.047 31.823 -0.066 0.000 1.067 903 V HN 0.787 nan 8.190 nan 0.000 0.485 904 R N 4.593 125.068 120.500 -0.043 0.000 2.674 904 R HA 0.543 4.883 4.340 -0.001 0.000 0.266 904 R C -2.437 173.854 176.300 -0.015 0.000 1.016 904 R CA -1.854 54.228 56.100 -0.029 0.000 1.062 904 R CB 1.015 31.303 30.300 -0.020 0.000 1.142 904 R HN 0.381 nan 8.270 nan 0.000 0.517 905 P HA -0.037 nan 4.420 nan 0.000 0.271 905 P C -0.373 176.962 177.300 0.058 0.000 1.233 905 P CA -0.236 62.847 63.100 -0.028 0.000 0.789 905 P CB 0.586 32.194 31.700 -0.153 0.000 0.951 906 S N 0.882 116.644 115.700 0.103 0.000 2.596 906 S HA 0.067 4.537 4.470 -0.001 0.000 0.260 906 S C 1.106 175.785 174.600 0.132 0.000 1.336 906 S CA -0.134 58.131 58.200 0.108 0.000 0.993 906 S CB 0.251 63.517 63.200 0.110 0.000 0.923 906 S HN 0.309 nan 8.310 nan 0.000 0.567 907 K N 0.604 121.064 120.400 0.100 0.000 2.281 907 K HA -0.006 4.314 4.320 -0.001 0.000 0.203 907 K C 1.503 178.159 176.600 0.094 0.000 1.046 907 K CA 1.285 57.628 56.287 0.094 0.000 0.938 907 K CB -0.509 32.030 32.500 0.065 0.000 0.737 907 K HN 0.560 nan 8.250 nan 0.000 0.458 908 L N -0.084 121.197 121.223 0.097 0.000 2.567 908 L HA 0.025 4.365 4.340 -0.001 0.000 0.225 908 L C 1.057 177.980 176.870 0.088 0.000 1.119 908 L CA -0.200 54.682 54.840 0.070 0.000 0.871 908 L CB -0.135 41.951 42.059 0.045 0.000 1.036 908 L HN 0.239 nan 8.230 nan 0.000 0.459 909 H N 2.216 121.323 119.070 0.063 0.000 2.803 909 H HA 0.086 4.641 4.556 -0.001 0.000 0.330 909 H C -1.723 173.647 175.328 0.070 0.000 1.057 909 H CA -1.375 54.723 56.048 0.083 0.000 1.458 909 H CB 1.769 31.607 29.762 0.126 0.000 1.470 909 H HN -0.082 nan 8.280 nan 0.000 0.560 910 P HA 0.136 nan 4.420 nan 0.000 0.249 910 P C -0.435 176.972 177.300 0.178 0.000 1.229 910 P CA 0.194 63.327 63.100 0.055 0.000 0.788 910 P CB 0.473 32.134 31.700 -0.066 0.000 1.072 911 A N -0.319 122.775 122.820 0.456 0.000 2.299 911 A HA 0.750 5.070 4.320 -0.001 0.000 0.332 911 A C 0.293 177.940 177.584 0.105 0.000 1.131 911 A CA -0.335 51.842 52.037 0.232 0.000 0.844 911 A CB 1.081 20.197 19.000 0.193 0.000 1.251 911 A HN 0.160 nan 8.150 nan 0.000 0.486 912 G N -1.316 107.419 108.800 -0.108 0.000 2.658 912 G HA2 0.643 4.602 3.960 -0.001 0.000 0.292 912 G HA3 0.643 4.602 3.960 -0.001 0.000 0.292 912 G C -1.735 172.779 174.900 -0.644 0.000 1.320 912 G CA -0.450 44.472 45.100 -0.296 0.000 0.933 912 G HN 0.560 nan 8.290 nan 0.000 0.476 913 Y N -0.895 119.366 120.300 -0.066 0.000 2.524 913 Y HA 0.465 5.015 4.550 -0.001 0.000 0.347 913 Y C 0.355 176.021 175.900 -0.390 0.000 1.005 913 Y CA -0.936 57.064 58.100 -0.168 0.000 1.025 913 Y CB 2.091 40.444 38.460 -0.179 0.000 1.275 913 Y HN 0.325 nan 8.280 nan 0.000 0.460 914 L N 2.222 123.284 121.223 -0.269 0.000 2.464 914 L HA 0.299 4.638 4.340 -0.001 0.000 0.264 914 L C 0.755 177.477 176.870 -0.247 0.000 1.199 914 L CA -0.447 54.163 54.840 -0.384 0.000 0.818 914 L CB 0.693 42.604 42.059 -0.247 0.000 1.102 914 L HN 0.784 nan 8.230 nan 0.000 0.473 915 T N -1.931 112.465 114.554 -0.264 0.000 2.816 915 T HA 0.118 4.467 4.350 -0.001 0.000 0.282 915 T C 1.162 175.809 174.700 -0.088 0.000 0.993 915 T CA -0.596 61.401 62.100 -0.173 0.000 0.994 915 T CB 1.256 70.017 68.868 -0.178 0.000 1.025 915 T HN 0.568 nan 8.240 nan 0.000 0.529 916 S N 0.918 116.578 115.700 -0.066 0.000 2.370 916 S HA -0.094 4.375 4.470 -0.001 0.000 0.226 916 S C 2.481 177.091 174.600 0.015 0.000 1.033 916 S CA 1.119 59.314 58.200 -0.008 0.000 1.011 916 S CB -0.999 62.180 63.200 -0.035 0.000 0.852 916 S HN 0.899 nan 8.310 nan 0.000 0.457 917 A N 1.409 124.214 122.820 -0.025 0.000 1.930 917 A HA 0.174 4.494 4.320 -0.001 0.000 0.217 917 A C 2.334 179.910 177.584 -0.012 0.000 1.175 917 A CA 1.603 53.628 52.037 -0.020 0.000 0.627 917 A CB -0.954 18.025 19.000 -0.036 0.000 0.815 917 A HN 0.516 nan 8.150 nan 0.000 0.443 918 A N -1.329 121.472 122.820 -0.032 0.000 1.929 918 A HA -0.162 4.157 4.320 -0.001 0.000 0.216 918 A C 2.109 179.720 177.584 0.045 0.000 1.176 918 A CA 1.562 53.585 52.037 -0.024 0.000 0.628 918 A CB -0.930 18.002 19.000 -0.113 0.000 0.816 918 A HN 0.769 nan 8.150 nan 0.000 0.444 919 H N 0.079 119.133 119.070 -0.027 0.000 2.353 919 H HA -0.074 4.482 4.556 -0.001 0.000 0.300 919 H C 1.836 177.196 175.328 0.053 0.000 1.090 919 H CA 1.862 57.930 56.048 0.033 0.000 1.327 919 H CB -0.039 29.737 29.762 0.023 0.000 1.383 919 H HN 0.431 nan 8.280 nan 0.000 0.508 920 K N 0.183 120.542 120.400 -0.068 0.000 2.097 920 K HA -0.080 4.239 4.320 -0.001 0.000 0.206 920 K C 2.388 178.946 176.600 -0.070 0.000 1.049 920 K CA 0.883 57.110 56.287 -0.100 0.000 0.933 920 K CB -0.055 32.435 32.500 -0.018 0.000 0.717 920 K HN 0.275 nan 8.250 nan 0.000 0.442 921 A N 0.846 123.649 122.820 -0.028 0.000 1.933 921 A HA -0.175 4.144 4.320 -0.001 0.000 0.218 921 A C 2.206 179.786 177.584 -0.007 0.000 1.175 921 A CA 1.965 53.999 52.037 -0.005 0.000 0.628 921 A CB -0.610 18.403 19.000 0.020 0.000 0.814 921 A HN 0.278 nan 8.150 nan 0.000 0.444 922 S N -0.628 115.071 115.700 -0.002 0.000 2.368 922 S HA -0.244 4.225 4.470 -0.001 0.000 0.225 922 S C 2.148 176.724 174.600 -0.040 0.000 1.030 922 S CA 1.766 59.977 58.200 0.019 0.000 0.999 922 S CB -0.404 62.854 63.200 0.097 0.000 0.844 922 S HN 0.681 nan 8.310 nan 0.000 0.459 923 Q N 0.273 120.003 119.800 -0.117 0.000 2.124 923 Q HA -0.040 4.300 4.340 -0.001 0.000 0.202 923 Q C 2.399 178.341 176.000 -0.096 0.000 0.977 923 Q CA 1.639 57.374 55.803 -0.113 0.000 0.850 923 Q CB -0.247 28.404 28.738 -0.145 0.000 0.901 923 Q HN 0.506 nan 8.270 nan 0.000 0.429 924 S N 0.722 116.376 115.700 -0.076 0.000 2.423 924 S HA -0.043 4.427 4.470 -0.001 0.000 0.231 924 S C 1.854 176.391 174.600 -0.104 0.000 1.014 924 S CA 0.737 58.890 58.200 -0.078 0.000 0.965 924 S CB -0.011 63.163 63.200 -0.043 0.000 0.785 924 S HN 0.273 nan 8.310 nan 0.000 0.495 925 L N 0.312 121.483 121.223 -0.087 0.000 2.127 925 L HA 0.102 4.441 4.340 -0.001 0.000 0.203 925 L C 2.016 178.792 176.870 -0.156 0.000 1.080 925 L CA 0.893 55.672 54.840 -0.101 0.000 0.768 925 L CB -0.322 41.700 42.059 -0.061 0.000 0.924 925 L HN 0.269 nan 8.230 nan 0.000 0.444 926 L N -1.287 119.847 121.223 -0.149 0.000 2.249 926 L HA 0.041 4.381 4.340 -0.001 0.000 0.207 926 L C 0.182 176.875 176.870 -0.295 0.000 1.090 926 L CA 0.729 55.456 54.840 -0.188 0.000 0.802 926 L CB 0.139 42.124 42.059 -0.122 0.000 0.947 926 L HN 0.193 nan 8.230 nan 0.000 0.453 927 D N 0.419 120.640 120.400 -0.298 0.000 2.613 927 D HA 0.229 4.868 4.640 -0.001 0.000 0.312 927 D C -2.354 173.701 176.300 -0.409 0.000 1.202 927 D CA -1.003 52.751 54.000 -0.411 0.000 0.825 927 D CB 1.298 42.055 40.800 -0.072 0.000 1.113 927 D HN 0.050 nan 8.370 nan 0.000 0.502 928 P HA 0.098 nan 4.420 nan 0.000 0.273 928 P C 0.628 177.794 177.300 -0.223 0.000 1.250 928 P CA -0.469 62.447 63.100 -0.307 0.000 0.793 928 P CB 1.490 33.015 31.700 -0.292 0.000 1.011 929 L N 0.891 122.051 121.223 -0.106 0.000 2.514 929 L HA 0.057 4.397 4.340 -0.001 0.000 0.280 929 L C 0.922 177.810 176.870 0.029 0.000 1.223 929 L CA 0.505 55.338 54.840 -0.011 0.000 0.864 929 L CB -0.340 41.725 42.059 0.009 0.000 1.118 929 L HN 0.287 nan 8.230 nan 0.000 0.494 930 D N 3.274 123.781 120.400 0.178 0.000 2.210 930 D HA 0.323 4.963 4.640 -0.001 0.000 0.249 930 D C -0.342 176.024 176.300 0.110 0.000 1.062 930 D CA -0.311 53.789 54.000 0.167 0.000 0.891 930 D CB 1.656 42.651 40.800 0.325 0.000 1.186 930 D HN 0.373 nan 8.370 nan 0.000 0.432 931 K N 1.391 121.741 120.400 -0.082 0.000 2.345 931 K HA 0.468 4.788 4.320 -0.001 0.000 0.255 931 K C -1.014 175.543 176.600 -0.073 0.000 0.934 931 K CA -0.638 55.694 56.287 0.076 0.000 0.801 931 K CB 1.561 34.056 32.500 -0.008 0.000 1.137 931 K HN 0.234 nan 8.250 nan 0.000 0.424 932 F N 2.695 122.848 119.950 0.339 0.000 2.507 932 F HA 0.484 5.011 4.527 -0.001 0.000 0.325 932 F C -0.006 176.077 175.800 0.471 0.000 1.116 932 F CA -0.886 57.297 58.000 0.305 0.000 0.930 932 F CB 1.282 40.294 39.000 0.020 0.000 1.146 932 F HN 0.201 nan 8.300 nan 0.000 0.447 933 I N 3.629 124.576 120.570 0.628 0.000 2.339 933 I HA 0.220 4.390 4.170 -0.001 0.000 0.290 933 I C -0.533 175.882 176.117 0.497 0.000 0.994 933 I CA -0.807 60.795 61.300 0.503 0.000 1.191 933 I CB 1.166 39.361 38.000 0.324 0.000 1.343 933 I HN 0.436 nan 8.210 nan 0.000 0.458 934 F N 5.674 125.799 119.950 0.293 0.000 2.538 934 F HA 0.239 4.765 4.527 -0.001 0.000 0.371 934 F C 1.174 176.903 175.800 -0.118 0.000 1.087 934 F CA 0.056 57.942 58.000 -0.189 0.000 1.250 934 F CB 1.252 40.171 39.000 -0.134 0.000 1.110 934 F HN 0.592 nan 8.300 nan 0.000 0.570 935 A N 4.315 126.605 122.820 -0.884 0.000 2.030 935 A HA 0.090 4.409 4.320 -0.001 0.000 0.215 935 A C 0.821 178.150 177.584 -0.424 0.000 1.164 935 A CA 0.423 52.143 52.037 -0.528 0.000 0.697 935 A CB -0.414 18.241 19.000 -0.575 0.000 0.827 935 A HN 0.791 nan 8.150 nan 0.000 0.457 936 E N -0.623 119.192 120.200 -0.642 0.000 2.292 936 E HA 0.217 4.566 4.350 -0.001 0.000 0.258 936 E C 0.125 176.830 176.600 0.175 0.000 1.115 936 E CA -0.736 55.569 56.400 -0.158 0.000 0.929 936 E CB 0.344 29.992 29.700 -0.086 0.000 1.161 936 E HN 0.165 nan 8.360 nan 0.000 0.453 937 N N 0.485 119.305 118.700 0.200 0.000 2.300 937 N HA -0.061 4.678 4.740 -0.001 0.000 0.179 937 N C -0.403 175.276 175.510 0.282 0.000 1.016 937 N CA 0.882 54.063 53.050 0.219 0.000 0.876 937 N CB 0.280 38.851 38.487 0.139 0.000 0.979 937 N HN 0.419 nan 8.380 nan 0.000 0.432 938 E N -0.668 119.724 120.200 0.321 0.000 2.256 938 E HA 0.111 4.461 4.350 -0.001 0.000 0.268 938 E C -1.512 175.240 176.600 0.253 0.000 0.877 938 E CA -0.700 55.833 56.400 0.221 0.000 0.757 938 E CB 1.262 31.046 29.700 0.140 0.000 1.183 938 E HN 0.007 nan 8.360 nan 0.000 0.418 939 W N 8.028 129.076 121.300 -0.420 0.000 2.288 939 W HA 0.386 5.045 4.660 -0.001 0.000 0.325 939 W C -1.253 175.093 176.519 -0.288 0.000 1.019 939 W CA -1.302 55.652 57.345 -0.652 0.000 1.403 939 W CB 0.007 28.513 29.460 -1.590 0.000 1.226 939 W HN 0.446 nan 8.180 nan 0.000 0.391 940 I N 6.182 126.877 120.570 0.208 0.000 2.441 940 I HA 0.219 4.388 4.170 -0.001 0.000 0.287 940 I C 1.427 177.531 176.117 -0.022 0.000 1.049 940 I CA 0.825 62.152 61.300 0.045 0.000 1.381 940 I CB 0.717 38.772 38.000 0.092 0.000 1.409 940 I HN 0.793 nan 8.210 nan 0.000 0.523 941 G N 4.529 113.229 108.800 -0.167 0.000 2.143 941 G HA2 -0.215 3.745 3.960 -0.001 0.000 0.249 941 G HA3 -0.215 3.745 3.960 -0.001 0.000 0.249 941 G C 0.439 175.089 174.900 -0.418 0.000 0.981 941 G CA -0.001 44.977 45.100 -0.204 0.000 0.665 941 G HN 0.969 nan 8.290 nan 0.000 0.528 942 A N -0.397 121.921 122.820 -0.835 0.000 2.540 942 A HA 0.559 4.879 4.320 -0.001 0.000 0.239 942 A C 0.583 177.746 177.584 -0.702 0.000 1.061 942 A CA 0.816 52.009 52.037 -1.407 0.000 0.758 942 A CB 0.248 18.077 19.000 -1.951 0.000 0.991 942 A HN 0.634 nan 8.150 nan 0.000 0.502 943 Q N 0.754 120.219 119.800 -0.559 0.000 2.351 943 Q HA 0.527 4.866 4.340 -0.001 0.000 0.273 943 Q C 1.095 176.978 176.000 -0.195 0.000 1.077 943 Q CA -0.214 55.426 55.803 -0.272 0.000 0.843 943 Q CB 1.942 30.588 28.738 -0.154 0.000 1.367 943 Q HN 0.796 nan 8.270 nan 0.000 0.449 944 G N 0.077 108.804 108.800 -0.122 0.000 2.603 944 G HA2 -0.041 3.919 3.960 -0.001 0.000 0.214 944 G HA3 -0.041 3.919 3.960 -0.001 0.000 0.214 944 G C 0.182 175.060 174.900 -0.037 0.000 1.140 944 G CA 0.541 45.587 45.100 -0.090 0.000 0.800 944 G HN 0.432 nan 8.290 nan 0.000 0.533 945 Q N -1.385 118.409 119.800 -0.011 0.000 2.527 945 Q HA 0.512 4.852 4.340 -0.001 0.000 0.280 945 Q C -2.370 173.655 176.000 0.042 0.000 0.977 945 Q CA -0.908 54.904 55.803 0.016 0.000 0.837 945 Q CB 2.245 30.978 28.738 -0.007 0.000 1.454 945 Q HN 0.053 nan 8.270 nan 0.000 0.387 946 F N 1.139 121.000 119.950 -0.149 0.000 2.556 946 F HA 0.642 5.168 4.527 -0.001 0.000 0.314 946 F C 0.508 176.060 175.800 -0.414 0.000 1.106 946 F CA 0.436 58.281 58.000 -0.258 0.000 0.911 946 F CB 2.062 40.919 39.000 -0.238 0.000 1.190 946 F HN 0.671 nan 8.300 nan 0.000 0.448 947 G N 3.134 110.979 108.800 -1.592 0.000 2.132 947 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.234 947 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.234 947 G C 0.993 175.233 174.900 -1.101 0.000 0.989 947 G CA 0.245 44.113 45.100 -2.052 0.000 0.676 947 G HN 1.552 nan 8.290 nan 0.000 0.522 948 G N 0.949 109.395 108.800 -0.589 0.000 2.470 948 G HA2 0.056 4.016 3.960 -0.001 0.000 0.220 948 G HA3 0.056 4.016 3.960 -0.001 0.000 0.220 948 G C 1.214 176.060 174.900 -0.090 0.000 1.121 948 G CA 1.695 46.672 45.100 -0.206 0.000 0.766 948 G HN 0.786 nan 8.290 nan 0.000 0.553 949 D N -0.679 119.593 120.400 -0.212 0.000 2.349 949 D HA 0.017 4.657 4.640 -0.001 0.000 0.214 949 D C 0.130 176.438 176.300 0.013 0.000 1.063 949 D CA -0.416 53.547 54.000 -0.061 0.000 0.847 949 D CB -0.436 40.332 40.800 -0.055 0.000 0.933 949 D HN 0.174 nan 8.370 nan 0.000 0.513 950 H N 1.702 120.666 119.070 -0.177 0.000 2.764 950 H HA 0.319 4.874 4.556 -0.001 0.000 0.341 950 H C -1.962 173.334 175.328 -0.052 0.000 1.072 950 H CA -2.116 53.853 56.048 -0.132 0.000 1.444 950 H CB -0.021 29.606 29.762 -0.225 0.000 1.458 950 H HN 0.036 nan 8.280 nan 0.000 0.572 951 P HA 0.004 nan 4.420 nan 0.000 0.268 951 P C -0.210 177.154 177.300 0.106 0.000 1.205 951 P CA -0.110 63.051 63.100 0.102 0.000 0.771 951 P CB 0.716 32.454 31.700 0.065 0.000 0.858 952 S N 1.977 117.774 115.700 0.162 0.000 2.466 952 S HA 0.585 5.054 4.470 -0.001 0.000 0.313 952 S C -0.028 174.673 174.600 0.168 0.000 1.078 952 S CA -0.576 57.748 58.200 0.207 0.000 1.115 952 S CB -0.728 62.711 63.200 0.398 0.000 1.006 952 S HN 0.497 nan 8.310 nan 0.000 0.487 953 A N 4.397 127.308 122.820 0.152 0.000 2.332 953 A HA 0.522 4.842 4.320 -0.001 0.000 0.258 953 A C 0.560 178.202 177.584 0.097 0.000 1.087 953 A CA -0.567 51.538 52.037 0.112 0.000 0.802 953 A CB 0.235 19.302 19.000 0.110 0.000 1.042 953 A HN 0.899 nan 8.150 nan 0.000 0.489 954 R N -0.043 120.485 120.500 0.047 0.000 2.697 954 R HA -0.036 4.304 4.340 -0.001 0.000 0.265 954 R C 1.448 177.753 176.300 0.009 0.000 1.009 954 R CA 0.947 57.049 56.100 0.002 0.000 1.099 954 R CB 0.331 30.621 30.300 -0.017 0.000 0.965 954 R HN 0.927 nan 8.270 nan 0.000 0.428 955 E N 1.735 121.902 120.200 -0.055 0.000 2.204 955 E HA -0.227 4.122 4.350 -0.001 0.000 0.195 955 E C 0.355 176.985 176.600 0.049 0.000 0.990 955 E CA 1.548 57.900 56.400 -0.081 0.000 0.821 955 E CB -0.059 29.567 29.700 -0.123 0.000 0.750 955 E HN 0.748 nan 8.360 nan 0.000 0.477 956 D N 0.673 121.060 120.400 -0.022 0.000 2.349 956 D HA -0.010 4.629 4.640 -0.001 0.000 0.224 956 D C 0.372 176.665 176.300 -0.012 0.000 1.029 956 D CA -0.058 53.886 54.000 -0.093 0.000 0.879 956 D CB -0.038 40.653 40.800 -0.182 0.000 0.906 956 D HN 0.184 nan 8.370 nan 0.000 0.528 957 L N 0.693 121.958 121.223 0.070 0.000 2.309 957 L HA 0.520 4.859 4.340 -0.001 0.000 0.282 957 L C -1.138 175.854 176.870 0.204 0.000 1.036 957 L CA -0.474 54.427 54.840 0.101 0.000 0.806 957 L CB 1.729 43.834 42.059 0.077 0.000 1.220 957 L HN -0.228 nan 8.230 nan 0.000 0.429 958 D N 2.341 122.883 120.400 0.236 0.000 2.671 958 D HA 0.371 5.010 4.640 -0.001 0.000 0.232 958 D C -1.307 175.148 176.300 0.258 0.000 1.114 958 D CA -0.262 53.899 54.000 0.268 0.000 0.858 958 D CB 2.422 43.424 40.800 0.337 0.000 1.544 958 D HN 0.236 nan 8.370 nan 0.000 0.471 959 V N 3.461 123.506 119.914 0.218 0.000 2.258 959 V HA 0.125 4.245 4.120 -0.001 0.000 0.258 959 V C 1.297 177.523 176.094 0.219 0.000 1.121 959 V CA -0.025 62.415 62.300 0.233 0.000 0.942 959 V CB 0.407 32.356 31.823 0.210 0.000 1.170 959 V HN 0.580 nan 8.190 nan 0.000 0.487 960 S N 3.008 118.864 115.700 0.261 0.000 2.382 960 S HA -0.012 4.458 4.470 -0.001 0.000 0.228 960 S C 0.680 175.333 174.600 0.089 0.000 1.027 960 S CA 0.849 59.158 58.200 0.181 0.000 0.991 960 S CB 0.172 63.537 63.200 0.276 0.000 0.823 960 S HN 0.499 nan 8.310 nan 0.000 0.469 961 V N 1.615 121.621 119.914 0.154 0.000 2.686 961 V HA 0.525 4.644 4.120 -0.001 0.000 0.306 961 V C -0.740 175.427 176.094 0.123 0.000 1.065 961 V CA -0.535 61.835 62.300 0.117 0.000 0.894 961 V CB 1.847 33.763 31.823 0.156 0.000 1.004 961 V HN 0.365 nan 8.190 nan 0.000 0.424 962 M N 5.624 125.220 119.600 -0.007 0.000 2.197 962 M HA 0.676 5.156 4.480 -0.001 0.000 0.301 962 M C -1.041 175.099 176.300 -0.267 0.000 0.987 962 M CA -0.503 54.665 55.300 -0.219 0.000 0.921 962 M CB 1.483 33.958 32.600 -0.207 0.000 1.569 962 M HN 0.736 nan 8.290 nan 0.000 0.431 963 R N 4.072 124.344 120.500 -0.381 0.000 2.510 963 R HA 0.425 4.765 4.340 -0.001 0.000 0.294 963 R C -1.343 174.734 176.300 -0.372 0.000 1.056 963 R CA -0.675 55.250 56.100 -0.292 0.000 0.918 963 R CB 1.804 32.009 30.300 -0.159 0.000 1.187 963 R HN 0.894 nan 8.270 nan 0.000 0.437 964 R N 4.410 124.746 120.500 -0.272 0.000 2.442 964 R HA 0.136 4.476 4.340 -0.001 0.000 0.291 964 R C 0.238 176.430 176.300 -0.180 0.000 1.069 964 R CA 0.083 56.050 56.100 -0.223 0.000 1.022 964 R CB 0.623 30.848 30.300 -0.125 0.000 0.976 964 R HN 0.696 nan 8.270 nan 0.000 0.443 965 L N 2.930 124.040 121.223 -0.188 0.000 2.616 965 L HA 0.147 4.487 4.340 -0.001 0.000 0.229 965 L C 0.335 177.153 176.870 -0.087 0.000 1.110 965 L CA 0.045 54.793 54.840 -0.155 0.000 0.884 965 L CB 0.448 42.381 42.059 -0.211 0.000 1.115 965 L HN 0.718 nan 8.230 nan 0.000 0.481 966 T N -2.746 111.769 114.554 -0.065 0.000 2.887 966 T HA 0.464 4.813 4.350 -0.001 0.000 0.288 966 T C -0.266 174.427 174.700 -0.012 0.000 1.021 966 T CA -0.910 61.170 62.100 -0.035 0.000 1.000 966 T CB 2.458 71.311 68.868 -0.025 0.000 1.034 966 T HN -0.090 nan 8.240 nan 0.000 0.467 967 K N 0.846 121.244 120.400 -0.003 0.000 2.117 967 K HA 0.352 4.671 4.320 -0.001 0.000 0.240 967 K C 1.659 178.273 176.600 0.023 0.000 1.031 967 K CA -0.255 56.042 56.287 0.016 0.000 0.909 967 K CB 0.460 32.967 32.500 0.012 0.000 1.097 967 K HN 0.790 nan 8.250 nan 0.000 0.492 968 S N -0.676 115.046 115.700 0.037 0.000 2.447 968 S HA -0.140 4.329 4.470 -0.001 0.000 0.233 968 S C 1.713 176.327 174.600 0.024 0.000 1.006 968 S CA 1.380 59.601 58.200 0.035 0.000 0.957 968 S CB -0.382 62.846 63.200 0.047 0.000 0.773 968 S HN 0.605 nan 8.310 nan 0.000 0.507 969 S N 1.599 117.311 115.700 0.020 0.000 2.522 969 S HA 0.424 4.893 4.470 -0.001 0.000 0.227 969 S C 0.850 175.456 174.600 0.010 0.000 0.986 969 S CA 0.089 58.298 58.200 0.015 0.000 0.929 969 S CB -0.612 62.596 63.200 0.013 0.000 0.769 969 S HN 0.772 nan 8.310 nan 0.000 0.529 970 A N 2.095 124.920 122.820 0.007 0.000 2.454 970 A HA 0.355 4.674 4.320 -0.001 0.000 0.260 970 A C 1.281 178.869 177.584 0.008 0.000 1.106 970 A CA -0.392 51.647 52.037 0.003 0.000 0.780 970 A CB 0.232 19.231 19.000 -0.002 0.000 1.044 970 A HN 0.445 nan 8.150 nan 0.000 0.498 971 K N 1.835 122.239 120.400 0.006 0.000 2.097 971 K HA -0.078 4.242 4.320 -0.001 0.000 0.206 971 K C 0.026 176.635 176.600 0.014 0.000 1.049 971 K CA 1.566 57.859 56.287 0.010 0.000 0.933 971 K CB -0.010 32.493 32.500 0.006 0.000 0.717 971 K HN 0.633 nan 8.250 nan 0.000 0.442 972 T N 2.626 117.185 114.554 0.009 0.000 2.781 972 T HA 0.185 4.534 4.350 -0.001 0.000 0.305 972 T C -0.790 173.924 174.700 0.022 0.000 1.001 972 T CA -0.667 61.442 62.100 0.014 0.000 0.950 972 T CB 1.415 70.280 68.868 -0.005 0.000 0.955 972 T HN 0.101 nan 8.240 nan 0.000 0.471 973 Q N 2.676 122.509 119.800 0.055 0.000 2.306 973 Q HA 0.439 4.778 4.340 -0.001 0.000 0.241 973 Q C 0.057 176.114 176.000 0.095 0.000 0.948 973 Q CA -0.079 55.758 55.803 0.057 0.000 0.886 973 Q CB 1.378 30.150 28.738 0.057 0.000 1.227 973 Q HN 0.552 nan 8.270 nan 0.000 0.457 974 R N 0.320 120.845 120.500 0.042 0.000 2.538 974 R HA 0.606 4.945 4.340 -0.001 0.000 0.292 974 R C -1.147 175.106 176.300 -0.080 0.000 1.008 974 R CA -0.573 55.531 56.100 0.007 0.000 0.896 974 R CB 1.771 32.040 30.300 -0.052 0.000 1.187 974 R HN 0.246 nan 8.270 nan 0.000 0.440 975 V N 1.603 121.467 119.914 -0.083 0.000 2.588 975 V HA 0.627 4.747 4.120 -0.001 0.000 0.304 975 V C 0.260 176.079 176.094 -0.460 0.000 1.042 975 V CA -0.844 61.272 62.300 -0.306 0.000 0.877 975 V CB 2.059 33.708 31.823 -0.290 0.000 0.996 975 V HN 0.933 nan 8.190 nan 0.000 0.425 976 G N 2.882 111.213 108.800 -0.782 0.000 2.371 976 G HA2 0.669 4.628 3.960 -0.001 0.000 0.326 976 G HA3 0.669 4.628 3.960 -0.001 0.000 0.326 976 G C -1.665 172.806 174.900 -0.716 0.000 1.127 976 G CA -0.303 44.201 45.100 -0.994 0.000 0.885 976 G HN 0.506 nan 8.290 nan 0.000 0.477 977 Y N 0.293 120.688 120.300 0.160 0.000 2.442 977 Y HA 0.473 5.022 4.550 -0.001 0.000 0.344 977 Y C -0.149 176.015 175.900 0.440 0.000 0.976 977 Y CA -0.920 57.355 58.100 0.291 0.000 1.040 977 Y CB 2.770 41.367 38.460 0.229 0.000 1.228 977 Y HN 0.342 nan 8.280 nan 0.000 0.451 978 V N 5.129 125.334 119.914 0.484 0.000 2.384 978 V HA 0.386 4.505 4.120 -0.001 0.000 0.287 978 V C -0.392 175.924 176.094 0.370 0.000 1.020 978 V CA -0.736 61.773 62.300 0.348 0.000 0.850 978 V CB 1.291 33.271 31.823 0.263 0.000 0.987 978 V HN 0.603 nan 8.190 nan 0.000 0.436 979 L N 5.257 126.685 121.223 0.342 0.000 2.296 979 L HA 0.575 4.915 4.340 -0.001 0.000 0.286 979 L C -0.351 176.713 176.870 0.323 0.000 1.023 979 L CA -0.437 54.598 54.840 0.325 0.000 0.812 979 L CB 1.365 43.613 42.059 0.316 0.000 1.223 979 L HN 0.667 nan 8.230 nan 0.000 0.421 980 H N 4.850 124.068 119.070 0.247 0.000 2.547 980 H HA 0.383 4.938 4.556 -0.001 0.000 0.342 980 H C -1.325 174.088 175.328 0.142 0.000 1.048 980 H CA -0.807 55.357 56.048 0.193 0.000 1.204 980 H CB 2.067 32.014 29.762 0.308 0.000 1.493 980 H HN 0.563 nan 8.280 nan 0.000 0.511 981 R N 3.948 124.108 120.500 -0.566 0.000 2.343 981 R HA 0.206 4.546 4.340 -0.001 0.000 0.320 981 R C -0.296 175.585 176.300 -0.698 0.000 0.956 981 R CA -0.371 55.461 56.100 -0.446 0.000 0.836 981 R CB 1.586 31.750 30.300 -0.226 0.000 1.151 981 R HN 0.667 nan 8.270 nan 0.000 0.450 982 T N 1.589 115.885 114.554 -0.430 0.000 2.793 982 T HA 0.156 4.505 4.350 -0.001 0.000 0.299 982 T C -0.447 174.078 174.700 -0.291 0.000 1.038 982 T CA -0.409 61.525 62.100 -0.277 0.000 0.948 982 T CB 0.571 69.354 68.868 -0.143 0.000 1.231 982 T HN 0.677 nan 8.240 nan 0.000 0.538 983 N N 0.682 119.235 118.700 -0.245 0.000 2.448 983 N HA 0.464 5.203 4.740 -0.001 0.000 0.279 983 N C -1.401 173.952 175.510 -0.262 0.000 1.025 983 N CA -0.488 52.362 53.050 -0.333 0.000 0.898 983 N CB 0.595 38.735 38.487 -0.579 0.000 1.303 983 N HN 0.460 nan 8.380 nan 0.000 0.495 984 L N 2.593 123.658 121.223 -0.263 0.000 2.325 984 L HA 0.532 4.871 4.340 -0.001 0.000 0.278 984 L C 0.563 177.310 176.870 -0.204 0.000 1.023 984 L CA -1.047 53.672 54.840 -0.203 0.000 0.811 984 L CB 1.439 43.385 42.059 -0.188 0.000 1.249 984 L HN 0.362 nan 8.230 nan 0.000 0.431 985 M N 2.212 121.712 119.600 -0.167 0.000 2.251 985 M HA 0.021 4.500 4.480 -0.001 0.000 0.343 985 M C -0.063 176.152 176.300 -0.141 0.000 1.245 985 M CA 0.211 55.417 55.300 -0.157 0.000 1.061 985 M CB 0.267 32.776 32.600 -0.151 0.000 1.723 985 M HN 0.483 nan 8.290 nan 0.000 0.449 986 Q N 2.315 122.036 119.800 -0.131 0.000 2.323 986 Q HA 0.171 4.510 4.340 -0.001 0.000 0.257 986 Q C -0.031 175.915 176.000 -0.091 0.000 1.022 986 Q CA 0.173 55.913 55.803 -0.105 0.000 0.919 986 Q CB 0.672 29.351 28.738 -0.099 0.000 1.220 986 Q HN 0.772 nan 8.270 nan 0.000 0.427 987 c N 0.448 118.998 118.600 -0.083 0.000 3.240 987 c HA 0.366 4.935 4.570 -0.001 0.000 0.271 987 c C 1.239 175.293 174.090 -0.060 0.000 1.534 987 c CA -0.046 56.239 56.329 -0.074 0.000 1.796 987 c CB -0.274 42.187 42.510 -0.083 0.000 2.892 987 c HN 0.987 nan 8.230 nan 0.000 0.566 988 G N 1.497 110.263 108.800 -0.056 0.000 2.141 988 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.231 988 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.231 988 G C -0.035 174.839 174.900 -0.043 0.000 0.984 988 G CA 0.363 45.435 45.100 -0.046 0.000 0.660 988 G HN 0.458 nan 8.290 nan 0.000 0.525 989 T N 2.154 116.679 114.554 -0.050 0.000 2.747 989 T HA 0.464 4.813 4.350 -0.001 0.000 0.301 989 T C -0.528 174.146 174.700 -0.045 0.000 0.952 989 T CA -0.619 61.454 62.100 -0.045 0.000 0.983 989 T CB 1.723 70.562 68.868 -0.048 0.000 0.930 989 T HN 0.024 nan 8.240 nan 0.000 0.494 990 P HA -0.194 nan 4.420 nan 0.000 0.220 990 P C 0.387 177.664 177.300 -0.037 0.000 1.155 990 P CA 0.879 63.961 63.100 -0.030 0.000 0.880 990 P CB -0.029 31.661 31.700 -0.017 0.000 0.790 991 E N -0.939 119.234 120.200 -0.044 0.000 2.216 991 E HA -0.248 4.101 4.350 -0.001 0.000 0.162 991 E C 0.294 176.844 176.600 -0.084 0.000 1.642 991 E CA 0.166 56.526 56.400 -0.067 0.000 0.599 991 E CB -0.362 29.295 29.700 -0.071 0.000 1.045 991 E HN 0.204 nan 8.360 nan 0.000 0.308 992 E N 0.214 120.354 120.200 -0.100 0.000 4.442 992 E HA 0.122 4.471 4.350 -0.001 0.000 0.185 992 E C -0.643 175.857 176.600 -0.167 0.000 1.080 992 E CA 0.171 56.523 56.400 -0.080 0.000 0.993 992 E CB -0.380 29.320 29.700 -0.001 0.000 1.905 992 E HN 0.584 nan 8.360 nan 0.000 0.416 993 H N 1.209 120.272 119.070 -0.010 0.000 1.603 993 H HA -0.124 4.431 4.556 -0.001 0.000 0.300 993 H C -0.716 174.617 175.328 0.008 0.000 0.707 993 H CA 1.058 57.103 56.048 -0.004 0.000 1.102 993 H CB -1.726 28.032 29.762 -0.006 0.000 1.381 993 H HN 0.252 nan 8.280 nan 0.000 0.234 994 T N 1.383 115.954 114.554 0.028 0.000 2.888 994 T HA 0.528 4.877 4.350 -0.001 0.000 0.288 994 T C -0.150 174.591 174.700 0.068 0.000 1.063 994 T CA -1.186 60.929 62.100 0.024 0.000 1.010 994 T CB 2.238 71.099 68.868 -0.011 0.000 1.214 994 T HN 0.643 nan 8.240 nan 0.000 0.533 995 Q N 0.522 120.372 119.800 0.082 0.000 2.222 995 Q HA 0.401 4.741 4.340 -0.001 0.000 0.252 995 Q C -0.323 175.703 176.000 0.045 0.000 0.926 995 Q CA -0.908 54.937 55.803 0.069 0.000 0.899 995 Q CB 1.602 30.392 28.738 0.088 0.000 1.250 995 Q HN 0.594 nan 8.270 nan 0.000 0.441 996 K N 1.859 122.274 120.400 0.024 0.000 2.448 996 K HA 0.089 4.409 4.320 -0.001 0.000 0.278 996 K C -1.005 175.597 176.600 0.004 0.000 1.009 996 K CA -0.277 56.014 56.287 0.006 0.000 0.995 996 K CB 0.374 32.868 32.500 -0.011 0.000 0.917 996 K HN 0.433 nan 8.250 nan 0.000 0.481 997 L N 4.508 125.730 121.223 -0.003 0.000 2.265 997 L HA 0.287 4.626 4.340 -0.001 0.000 0.289 997 L C -1.199 175.634 176.870 -0.062 0.000 1.033 997 L CA -0.055 54.775 54.840 -0.018 0.000 0.814 997 L CB 1.265 43.324 42.059 0.001 0.000 1.203 997 L HN 0.652 nan 8.230 nan 0.000 0.423 998 D N 3.532 123.888 120.400 -0.073 0.000 2.460 998 D HA 0.167 4.806 4.640 -0.001 0.000 0.232 998 D C 1.037 177.245 176.300 -0.153 0.000 1.079 998 D CA -0.319 53.617 54.000 -0.106 0.000 0.864 998 D CB 1.288 42.066 40.800 -0.038 0.000 1.048 998 D HN 0.379 nan 8.370 nan 0.000 0.523 999 V N 1.370 121.096 119.914 -0.312 0.000 2.720 999 V HA -0.162 3.958 4.120 -0.001 0.000 0.256 999 V C 2.086 177.891 176.094 -0.481 0.000 1.082 999 V CA 0.990 62.938 62.300 -0.586 0.000 1.101 999 V CB -1.087 30.100 31.823 -1.061 0.000 0.693 999 V HN 0.613 nan 8.190 nan 0.000 0.479 1000 c N 0.533 118.984 118.600 -0.249 0.000 2.472 1000 c HA 0.038 4.607 4.570 -0.001 0.000 0.278 1000 c C 2.080 176.081 174.090 -0.148 0.000 1.447 1000 c CA 1.135 57.385 56.329 -0.132 0.000 1.773 1000 c CB -1.838 40.584 42.510 -0.146 0.000 1.793 1000 c HN 0.757 nan 8.230 nan 0.000 0.544 1001 H N -0.977 118.073 119.070 -0.033 0.000 2.542 1001 H HA 0.265 4.821 4.556 -0.001 0.000 0.283 1001 H C 1.708 177.072 175.328 0.060 0.000 1.059 1001 H CA -0.016 56.052 56.048 0.034 0.000 1.162 1001 H CB 0.083 29.847 29.762 0.002 0.000 1.539 1001 H HN 0.343 nan 8.280 nan 0.000 0.543 1002 L N -0.111 121.177 121.223 0.109 0.000 2.217 1002 L HA 0.001 4.341 4.340 -0.001 0.000 0.211 1002 L C 0.198 177.218 176.870 0.249 0.000 1.107 1002 L CA 0.869 55.799 54.840 0.149 0.000 0.783 1002 L CB 0.147 42.259 42.059 0.088 0.000 0.919 1002 L HN 0.214 nan 8.230 nan 0.000 0.442 1003 L N -0.147 121.186 121.223 0.184 0.000 2.331 1003 L HA 0.404 4.743 4.340 -0.001 0.000 0.275 1003 L C -2.125 174.813 176.870 0.114 0.000 1.022 1003 L CA -2.022 52.862 54.840 0.073 0.000 0.812 1003 L CB 1.657 43.530 42.059 -0.309 0.000 1.257 1003 L HN -0.206 nan 8.230 nan 0.000 0.435 1004 P HA 0.156 nan 4.420 nan 0.000 0.276 1004 P C -0.895 176.536 177.300 0.219 0.000 1.261 1004 P CA -0.307 62.876 63.100 0.138 0.000 0.800 1004 P CB 0.351 32.105 31.700 0.091 0.000 1.066 1005 N N -3.231 115.568 118.700 0.165 0.000 2.758 1005 N HA -0.147 4.592 4.740 -0.001 0.000 0.248 1005 N C -0.032 175.551 175.510 0.122 0.000 1.076 1005 N CA 0.036 53.168 53.050 0.135 0.000 0.696 1005 N CB -1.902 36.657 38.487 0.120 0.000 0.979 1005 N HN 0.250 nan 8.380 nan 0.000 0.550 1006 V N -0.006 119.926 119.914 0.031 0.000 2.655 1006 V HA 0.398 4.517 4.120 -0.001 0.000 0.300 1006 V C 1.166 177.153 176.094 -0.178 0.000 1.044 1006 V CA 1.124 63.267 62.300 -0.262 0.000 1.095 1006 V CB 1.253 32.830 31.823 -0.410 0.000 0.952 1006 V HN 0.429 nan 8.190 nan 0.000 0.485 1007 A N 6.905 129.595 122.820 -0.216 0.000 2.287 1007 A HA 0.494 4.814 4.320 -0.001 0.000 0.214 1007 A C 0.930 178.472 177.584 -0.069 0.000 1.228 1007 A CA 0.006 51.983 52.037 -0.101 0.000 0.939 1007 A CB 0.259 19.216 19.000 -0.071 0.000 0.992 1007 A HN 0.776 nan 8.150 nan 0.000 0.502 1008 R N -1.735 118.699 120.500 -0.111 0.000 2.664 1008 R HA 0.498 4.837 4.340 -0.001 0.000 0.266 1008 R C -2.286 173.991 176.300 -0.040 0.000 1.046 1008 R CA -0.312 55.783 56.100 -0.008 0.000 0.885 1008 R CB 1.543 31.840 30.300 -0.004 0.000 1.254 1008 R HN 0.298 nan 8.270 nan 0.000 0.465 1009 c N 2.553 121.187 118.600 0.057 0.000 2.481 1009 c HA 0.624 5.193 4.570 -0.001 0.000 0.324 1009 c C -1.243 172.946 174.090 0.164 0.000 1.170 1009 c CA -0.207 56.158 56.329 0.061 0.000 1.361 1009 c CB 1.267 43.774 42.510 -0.005 0.000 1.977 1009 c HN 0.931 nan 8.230 nan 0.000 0.459 1010 E N 2.839 123.154 120.200 0.192 0.000 2.266 1010 E HA 0.449 4.799 4.350 -0.001 0.000 0.268 1010 E C -0.962 175.810 176.600 0.288 0.000 0.879 1010 E CA -0.617 55.912 56.400 0.214 0.000 0.762 1010 E CB 1.858 31.643 29.700 0.141 0.000 1.199 1010 E HN 0.640 nan 8.360 nan 0.000 0.422 1011 R N 1.459 122.109 120.500 0.250 0.000 2.390 1011 R HA 0.314 4.653 4.340 -0.001 0.000 0.291 1011 R C -0.470 175.860 176.300 0.051 0.000 1.070 1011 R CA 0.122 56.292 56.100 0.116 0.000 1.014 1011 R CB 0.611 30.957 30.300 0.077 0.000 1.007 1011 R HN 0.692 nan 8.270 nan 0.000 0.466 1012 T N -0.267 114.289 114.554 0.003 0.000 2.907 1012 T HA 0.354 4.703 4.350 -0.001 0.000 0.290 1012 T C 0.129 174.810 174.700 -0.031 0.000 1.066 1012 T CA -0.777 61.346 62.100 0.038 0.000 1.012 1012 T CB 1.395 70.355 68.868 0.152 0.000 1.184 1012 T HN 0.618 nan 8.240 nan 0.000 0.522 1013 T N 0.155 114.694 114.554 -0.024 0.000 2.791 1013 T HA 0.199 4.548 4.350 -0.001 0.000 0.323 1013 T C 1.595 176.213 174.700 -0.136 0.000 1.082 1013 T CA -0.673 61.390 62.100 -0.062 0.000 1.084 1013 T CB -0.067 68.782 68.868 -0.031 0.000 0.992 1013 T HN 0.565 nan 8.240 nan 0.000 0.547 1014 L N 1.095 122.222 121.223 -0.159 0.000 2.362 1014 L HA -0.032 4.307 4.340 -0.001 0.000 0.219 1014 L C 2.888 179.469 176.870 -0.481 0.000 1.134 1014 L CA 1.407 56.085 54.840 -0.271 0.000 0.807 1014 L CB -1.040 40.946 42.059 -0.122 0.000 0.927 1014 L HN 0.988 nan 8.230 nan 0.000 0.447 1015 T N -4.581 109.798 114.554 -0.292 0.000 3.148 1015 T HA 0.006 4.355 4.350 -0.001 0.000 0.253 1015 T C 0.854 175.462 174.700 -0.154 0.000 1.134 1015 T CA -0.093 61.869 62.100 -0.229 0.000 1.051 1015 T CB -0.331 68.522 68.868 -0.025 0.000 0.959 1015 T HN 0.338 nan 8.240 nan 0.000 0.525 1016 F N -0.959 119.002 119.950 0.019 0.000 2.794 1016 F HA -0.210 4.316 4.527 -0.001 0.000 0.335 1016 F C 1.069 176.868 175.800 -0.001 0.000 0.653 1016 F CA 0.173 58.177 58.000 0.006 0.000 1.266 1016 F CB -2.107 36.892 39.000 -0.001 0.000 1.666 1016 F HN 0.205 nan 8.300 nan 0.000 0.314 1017 L N -0.437 120.855 121.223 0.114 0.000 2.567 1017 L HA 0.127 4.466 4.340 -0.001 0.000 0.225 1017 L C 0.886 177.776 176.870 0.033 0.000 1.119 1017 L CA 0.812 55.692 54.840 0.066 0.000 0.871 1017 L CB 0.270 42.352 42.059 0.038 0.000 1.036 1017 L HN 0.307 nan 8.230 nan 0.000 0.459 1018 Q N 0.544 120.363 119.800 0.033 0.000 2.305 1018 Q HA 0.271 4.610 4.340 -0.001 0.000 0.271 1018 Q C -1.181 174.835 176.000 0.026 0.000 1.046 1018 Q CA -0.700 55.111 55.803 0.013 0.000 0.798 1018 Q CB 1.899 30.632 28.738 -0.009 0.000 1.286 1018 Q HN 0.080 nan 8.270 nan 0.000 0.435 1019 N N 4.449 123.163 118.700 0.023 0.000 2.470 1019 N HA 0.173 4.912 4.740 -0.001 0.000 0.268 1019 N C 0.308 175.833 175.510 0.025 0.000 1.136 1019 N CA 0.253 53.323 53.050 0.033 0.000 0.961 1019 N CB 1.059 39.560 38.487 0.023 0.000 1.067 1019 N HN 0.643 nan 8.380 nan 0.000 0.468 1020 L N 0.547 121.790 121.223 0.033 0.000 2.537 1020 L HA 0.302 4.642 4.340 -0.001 0.000 0.224 1020 L C 0.633 177.530 176.870 0.045 0.000 1.065 1020 L CA 0.383 55.238 54.840 0.024 0.000 0.860 1020 L CB 0.338 42.401 42.059 0.006 0.000 1.086 1020 L HN 0.524 nan 8.230 nan 0.000 0.482 1021 E N -0.420 119.826 120.200 0.077 0.000 2.354 1021 E HA 0.123 4.472 4.350 -0.001 0.000 0.283 1021 E C -1.371 175.328 176.600 0.166 0.000 0.938 1021 E CA -0.556 55.907 56.400 0.105 0.000 0.777 1021 E CB 1.542 31.298 29.700 0.094 0.000 1.222 1021 E HN 0.107 nan 8.360 nan 0.000 0.423 1022 H N 5.875 124.971 119.070 0.042 0.000 2.604 1022 H HA 0.343 4.898 4.556 -0.001 0.000 0.306 1022 H C -0.802 174.550 175.328 0.041 0.000 1.075 1022 H CA -0.549 55.522 56.048 0.038 0.000 1.357 1022 H CB 0.702 30.477 29.762 0.021 0.000 1.426 1022 H HN 0.357 nan 8.280 nan 0.000 0.470 1023 L N 5.134 126.349 121.223 -0.014 0.000 2.275 1023 L HA 0.118 4.458 4.340 -0.001 0.000 0.288 1023 L C 0.116 176.871 176.870 -0.191 0.000 1.046 1023 L CA -0.958 53.843 54.840 -0.065 0.000 0.805 1023 L CB 1.241 43.316 42.059 0.027 0.000 1.193 1023 L HN 0.674 nan 8.230 nan 0.000 0.426 1024 D N 2.788 123.093 120.400 -0.159 0.000 2.583 1024 D HA 0.077 4.716 4.640 -0.001 0.000 0.232 1024 D C 1.215 177.470 176.300 -0.076 0.000 1.128 1024 D CA 1.504 55.425 54.000 -0.131 0.000 0.859 1024 D CB 0.978 41.731 40.800 -0.078 0.000 1.169 1024 D HN 0.854 nan 8.370 nan 0.000 0.481 1025 G N 3.235 111.998 108.800 -0.062 0.000 2.175 1025 G HA2 -0.412 3.547 3.960 -0.001 0.000 0.265 1025 G HA3 -0.412 3.547 3.960 -0.001 0.000 0.265 1025 G C 0.833 175.766 174.900 0.053 0.000 0.979 1025 G CA 0.508 45.605 45.100 -0.005 0.000 0.663 1025 G HN 0.658 nan 8.290 nan 0.000 0.533 1026 M N -2.603 117.000 119.600 0.005 0.000 2.653 1026 M HA -0.186 4.293 4.480 -0.001 0.000 0.203 1026 M C 0.132 176.470 176.300 0.063 0.000 0.502 1026 M CA 0.867 56.171 55.300 0.007 0.000 0.601 1026 M CB -1.781 30.799 32.600 -0.033 0.000 2.228 1026 M HN 0.212 nan 8.290 nan 0.000 0.711 1027 V N 0.864 120.804 119.914 0.044 0.000 2.394 1027 V HA 0.704 4.823 4.120 -0.001 0.000 0.282 1027 V C 0.641 176.668 176.094 -0.112 0.000 1.031 1027 V CA -0.254 62.055 62.300 0.016 0.000 0.881 1027 V CB 1.738 33.556 31.823 -0.008 0.000 0.982 1027 V HN 0.370 nan 8.190 nan 0.000 0.451 1028 A N 8.016 130.687 122.820 -0.247 0.000 2.279 1028 A HA 0.729 5.048 4.320 -0.001 0.000 0.306 1028 A C -2.418 174.895 177.584 -0.452 0.000 1.300 1028 A CA -1.437 50.226 52.037 -0.623 0.000 0.925 1028 A CB 0.059 18.392 19.000 -1.111 0.000 1.152 1028 A HN 0.639 nan 8.150 nan 0.000 0.544 1029 P HA 0.159 nan 4.420 nan 0.000 0.270 1029 P C -0.014 177.265 177.300 -0.034 0.000 1.223 1029 P CA -0.106 62.943 63.100 -0.085 0.000 0.785 1029 P CB 0.571 32.286 31.700 0.024 0.000 0.923 1030 E N -0.320 119.880 120.200 -0.000 0.000 2.369 1030 E HA 0.291 4.640 4.350 -0.001 0.000 0.255 1030 E C -0.035 176.614 176.600 0.082 0.000 1.172 1030 E CA -0.862 55.566 56.400 0.047 0.000 0.932 1030 E CB 0.398 30.109 29.700 0.018 0.000 1.040 1030 E HN 0.279 nan 8.360 nan 0.000 0.454 1031 V N -1.942 118.020 119.914 0.080 0.000 2.975 1031 V HA 0.405 4.525 4.120 -0.001 0.000 0.318 1031 V C 0.026 176.121 176.094 0.002 0.000 1.077 1031 V CA -1.125 61.212 62.300 0.061 0.000 1.000 1031 V CB 1.333 33.200 31.823 0.073 0.000 1.066 1031 V HN 0.753 nan 8.190 nan 0.000 0.452 1032 c N 2.470 121.065 118.600 -0.007 0.000 2.595 1032 c HA 0.446 5.015 4.570 -0.001 0.000 0.384 1032 c C -2.070 171.964 174.090 -0.093 0.000 1.289 1032 c CA -0.293 56.014 56.329 -0.037 0.000 2.372 1032 c CB -0.031 42.474 42.510 -0.010 0.000 2.593 1032 c HN 0.817 nan 8.230 nan 0.000 0.639 1033 P HA 0.040 nan 4.420 nan 0.000 0.264 1033 P C 0.255 177.405 177.300 -0.249 0.000 1.183 1033 P CA 0.872 63.838 63.100 -0.223 0.000 0.763 1033 P CB 0.179 31.730 31.700 -0.247 0.000 0.807 1034 M N -1.205 118.195 119.600 -0.332 0.000 2.908 1034 M HA -0.187 4.292 4.480 -0.001 0.000 0.191 1034 M C -0.165 176.132 176.300 -0.004 0.000 0.619 1034 M CA 1.362 56.457 55.300 -0.342 0.000 0.709 1034 M CB -2.103 29.988 32.600 -0.848 0.000 2.554 1034 M HN 0.423 nan 8.290 nan 0.000 0.356 1035 E N 0.321 120.509 120.200 -0.019 0.000 2.227 1035 E HA 0.706 5.056 4.350 -0.001 0.000 0.268 1035 E C 0.072 176.731 176.600 0.099 0.000 0.990 1035 E CA -0.123 56.337 56.400 0.101 0.000 0.856 1035 E CB 1.479 31.207 29.700 0.048 0.000 1.159 1035 E HN 0.143 nan 8.360 nan 0.000 0.401 1036 T N 0.575 115.209 114.554 0.134 0.000 2.881 1036 T HA 0.698 5.047 4.350 -0.001 0.000 0.290 1036 T C -0.797 173.915 174.700 0.021 0.000 1.000 1036 T CA -0.669 61.518 62.100 0.144 0.000 0.978 1036 T CB 1.582 70.549 68.868 0.165 0.000 0.997 1036 T HN 0.507 nan 8.240 nan 0.000 0.443 1037 A N 1.944 124.779 122.820 0.025 0.000 2.469 1037 A HA 1.001 5.320 4.320 -0.001 0.000 0.299 1037 A C -0.997 176.489 177.584 -0.163 0.000 1.098 1037 A CA -0.958 51.000 52.037 -0.132 0.000 0.737 1037 A CB 1.531 20.405 19.000 -0.209 0.000 1.312 1037 A HN 1.115 nan 8.150 nan 0.000 0.414 1038 A N 0.243 122.874 122.820 -0.314 0.000 2.365 1038 A HA 0.816 5.136 4.320 -0.001 0.000 0.318 1038 A C -1.508 175.878 177.584 -0.330 0.000 1.091 1038 A CA -0.362 51.594 52.037 -0.136 0.000 0.763 1038 A CB 0.751 19.704 19.000 -0.079 0.000 1.248 1038 A HN 0.833 nan 8.150 nan 0.000 0.442 1039 Y N 0.240 120.751 120.300 0.351 0.000 2.512 1039 Y HA 0.568 5.118 4.550 -0.001 0.000 0.348 1039 Y C -0.237 175.842 175.900 0.298 0.000 0.990 1039 Y CA -0.927 57.341 58.100 0.281 0.000 1.033 1039 Y CB 2.591 41.179 38.460 0.213 0.000 1.259 1039 Y HN 0.413 nan 8.280 nan 0.000 0.461 1040 V N 2.422 122.537 119.914 0.335 0.000 2.444 1040 V HA 0.438 4.558 4.120 -0.001 0.000 0.294 1040 V C -0.591 175.593 176.094 0.150 0.000 1.022 1040 V CA -0.910 61.484 62.300 0.156 0.000 0.850 1040 V CB 1.701 33.551 31.823 0.044 0.000 0.992 1040 V HN 0.828 nan 8.190 nan 0.000 0.426 1041 S N 3.454 119.249 115.700 0.158 0.000 2.508 1041 S HA 0.705 5.175 4.470 -0.001 0.000 0.284 1041 S C -0.206 174.348 174.600 -0.076 0.000 1.192 1041 S CA -0.577 57.647 58.200 0.040 0.000 1.070 1041 S CB 1.541 64.844 63.200 0.172 0.000 1.004 1041 S HN 0.569 nan 8.310 nan 0.000 0.493 1042 S N 2.546 118.074 115.700 -0.288 0.000 2.472 1042 S HA 0.528 4.997 4.470 -0.001 0.000 0.303 1042 S C -0.855 173.415 174.600 -0.551 0.000 1.099 1042 S CA -0.775 57.279 58.200 -0.243 0.000 1.077 1042 S CB 0.515 63.641 63.200 -0.122 0.000 1.031 1042 S HN 0.792 nan 8.310 nan 0.000 0.487 1043 H N 0.799 119.858 119.070 -0.018 0.000 2.679 1043 H HA 0.293 4.848 4.556 -0.001 0.000 0.360 1043 H C 0.258 175.581 175.328 -0.009 0.000 1.105 1043 H CA -0.560 55.480 56.048 -0.013 0.000 1.196 1043 H CB 1.893 31.650 29.762 -0.009 0.000 1.636 1043 H HN 0.671 nan 8.280 nan 0.000 0.531 1044 S N 1.092 116.843 115.700 0.085 0.000 2.517 1044 S HA 0.132 4.601 4.470 -0.001 0.000 0.214 1044 S C 0.541 175.175 174.600 0.057 0.000 0.991 1044 S CA 0.033 58.263 58.200 0.050 0.000 0.906 1044 S CB 0.273 63.489 63.200 0.027 0.000 0.789 1044 S HN 0.591 nan 8.310 nan 0.000 0.513 1045 S N 0.000 115.747 115.700 0.079 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.234 58.200 0.056 0.000 1.107 1045 S CB 0.000 63.225 63.200 0.043 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517