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 3eju_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 0.000 176.008 176.000 0.014 0.000 1.003 30 Q CA 0.000 55.809 55.803 0.009 0.000 1.022 30 Q CB 0.000 28.739 28.738 0.003 0.000 1.108 31 c N 2.158 120.763 118.600 0.008 0.000 2.644 31 c HA 0.367 4.937 4.570 -0.001 0.000 0.417 31 c C 0.039 174.141 174.090 0.019 0.000 1.304 31 c CA -0.229 56.106 56.329 0.011 0.000 2.035 31 c CB -0.191 42.312 42.510 -0.011 0.000 2.673 31 c HN 0.516 nan 8.230 nan 0.000 0.602 32 Q N 1.671 121.498 119.800 0.045 0.000 2.361 32 Q HA 0.032 4.371 4.340 -0.001 0.000 0.276 32 Q C 0.020 176.048 176.000 0.047 0.000 1.022 32 Q CA 0.428 56.272 55.803 0.068 0.000 0.898 32 Q CB 0.494 29.309 28.738 0.129 0.000 1.246 32 Q HN 0.629 nan 8.270 nan 0.000 0.410 33 D N 1.884 122.313 120.400 0.048 0.000 2.325 33 D HA 0.049 4.689 4.640 -0.001 0.000 0.251 33 D C 0.559 176.903 176.300 0.074 0.000 1.196 33 D CA -0.156 53.856 54.000 0.020 0.000 0.866 33 D CB 1.208 42.020 40.800 0.021 0.000 1.101 33 D HN 0.397 nan 8.370 nan 0.000 0.476 34 V N 2.247 122.160 119.914 -0.002 0.000 3.649 34 V HA 0.056 4.176 4.120 -0.001 0.000 0.275 34 V C 1.173 177.313 176.094 0.077 0.000 1.281 34 V CA 0.204 62.557 62.300 0.088 0.000 1.143 34 V CB 0.203 31.914 31.823 -0.186 0.000 0.892 34 V HN 0.383 nan 8.190 nan 0.000 0.441 35 V N -0.047 119.828 119.914 -0.065 0.000 2.908 35 V HA 0.103 4.223 4.120 -0.001 0.000 0.240 35 V C 2.287 178.356 176.094 -0.041 0.000 1.117 35 V CA 1.234 63.450 62.300 -0.141 0.000 1.133 35 V CB -0.001 31.692 31.823 -0.216 0.000 0.857 35 V HN 0.479 nan 8.190 nan 0.000 0.478 36 Q N -0.324 119.501 119.800 0.043 0.000 2.319 36 Q HA 0.136 4.475 4.340 -0.001 0.000 0.209 36 Q C -0.518 175.561 176.000 0.132 0.000 0.884 36 Q CA 0.250 56.095 55.803 0.071 0.000 0.938 36 Q CB 0.677 29.431 28.738 0.027 0.000 1.098 36 Q HN 0.503 nan 8.270 nan 0.000 0.517 37 D N 1.220 121.732 120.400 0.186 0.000 2.453 37 D HA 0.170 4.810 4.640 -0.001 0.000 0.238 37 D C -0.689 175.727 176.300 0.192 0.000 1.088 37 D CA -0.269 53.828 54.000 0.161 0.000 0.854 37 D CB 2.157 43.029 40.800 0.119 0.000 1.076 37 D HN -0.169 nan 8.370 nan 0.000 0.533 38 V N 4.355 124.351 119.914 0.137 0.000 2.446 38 V HA 0.120 4.240 4.120 -0.001 0.000 0.276 38 V C -1.855 174.221 176.094 -0.029 0.000 1.030 38 V CA -1.085 61.220 62.300 0.008 0.000 1.033 38 V CB 0.255 32.089 31.823 0.017 0.000 0.993 38 V HN 0.299 nan 8.190 nan 0.000 0.477 39 P HA 0.115 nan 4.420 nan 0.000 0.268 39 P C -0.408 176.866 177.300 -0.043 0.000 1.205 39 P CA -0.133 62.938 63.100 -0.047 0.000 0.771 39 P CB 0.369 32.023 31.700 -0.076 0.000 0.858 40 N N 1.903 120.592 118.700 -0.019 0.000 2.462 40 N HA 0.278 5.017 4.740 -0.001 0.000 0.242 40 N C -0.544 174.958 175.510 -0.013 0.000 1.010 40 N CA -0.160 52.882 53.050 -0.014 0.000 0.939 40 N CB 0.834 39.320 38.487 -0.001 0.000 1.127 40 N HN 0.154 nan 8.380 nan 0.000 0.509 41 V N -0.830 119.069 119.914 -0.024 0.000 3.001 41 V HA 0.464 4.583 4.120 -0.001 0.000 0.314 41 V C 0.684 176.764 176.094 -0.024 0.000 1.099 41 V CA -0.812 61.476 62.300 -0.020 0.000 0.989 41 V CB 2.414 34.214 31.823 -0.038 0.000 1.040 41 V HN 0.303 nan 8.190 nan 0.000 0.434 42 D N 1.061 121.453 120.400 -0.012 0.000 2.149 42 D HA 0.028 4.667 4.640 -0.001 0.000 0.201 42 D C 0.502 176.772 176.300 -0.050 0.000 0.972 42 D CA 1.595 55.585 54.000 -0.017 0.000 0.835 42 D CB 0.490 41.295 40.800 0.010 0.000 0.966 42 D HN 0.434 nan 8.370 nan 0.000 0.476 43 V N 1.531 121.394 119.914 -0.085 0.000 2.483 43 V HA 0.216 4.335 4.120 -0.001 0.000 0.297 43 V C -0.347 175.653 176.094 -0.157 0.000 1.027 43 V CA -0.760 61.460 62.300 -0.134 0.000 0.855 43 V CB 2.389 34.090 31.823 -0.204 0.000 0.995 43 V HN -0.086 nan 8.190 nan 0.000 0.424 44 Q N 4.531 124.251 119.800 -0.134 0.000 2.341 44 Q HA 0.445 4.784 4.340 -0.001 0.000 0.268 44 Q C 0.406 176.312 176.000 -0.157 0.000 1.013 44 Q CA -0.685 55.031 55.803 -0.145 0.000 0.798 44 Q CB 1.900 30.573 28.738 -0.108 0.000 1.253 44 Q HN 0.676 nan 8.270 nan 0.000 0.457 45 M N 3.030 122.492 119.600 -0.230 0.000 2.213 45 M HA -0.155 4.325 4.480 -0.001 0.000 0.263 45 M C 1.614 177.814 176.300 -0.166 0.000 1.062 45 M CA 0.943 56.094 55.300 -0.248 0.000 1.105 45 M CB -0.776 31.548 32.600 -0.460 0.000 1.385 45 M HN 0.569 nan 8.290 nan 0.000 0.417 46 L N 0.725 121.844 121.223 -0.173 0.000 2.046 46 L HA -0.144 4.196 4.340 -0.001 0.000 0.208 46 L C 2.491 179.355 176.870 -0.010 0.000 1.077 46 L CA 1.834 56.604 54.840 -0.116 0.000 0.747 46 L CB -0.645 41.321 42.059 -0.154 0.000 0.896 46 L HN 0.271 nan 8.230 nan 0.000 0.432 47 E N -0.449 119.732 120.200 -0.032 0.000 2.072 47 E HA -0.222 4.128 4.350 -0.001 0.000 0.191 47 E C 2.204 178.816 176.600 0.021 0.000 0.985 47 E CA 1.344 57.738 56.400 -0.009 0.000 0.801 47 E CB -0.280 29.401 29.700 -0.033 0.000 0.750 47 E HN 0.432 nan 8.360 nan 0.000 0.452 48 L N 0.574 121.808 121.223 0.019 0.000 2.012 48 L HA -0.203 4.136 4.340 -0.001 0.000 0.210 48 L C 2.294 179.231 176.870 0.111 0.000 1.073 48 L CA 1.724 56.582 54.840 0.031 0.000 0.748 48 L CB -1.064 41.002 42.059 0.011 0.000 0.891 48 L HN 0.133 nan 8.230 nan 0.000 0.431 49 Y N 0.029 120.331 120.300 0.002 0.000 2.151 49 Y HA -0.291 4.258 4.550 -0.001 0.000 0.284 49 Y C 2.602 178.592 175.900 0.150 0.000 1.166 49 Y CA 1.888 60.074 58.100 0.143 0.000 1.163 49 Y CB -0.702 37.845 38.460 0.145 0.000 0.974 49 Y HN 0.362 nan 8.280 nan 0.000 0.511 50 D N -0.602 119.910 120.400 0.186 0.000 2.144 50 D HA -0.128 4.512 4.640 -0.001 0.000 0.199 50 D C 2.115 178.454 176.300 0.065 0.000 0.984 50 D CA 1.253 55.315 54.000 0.104 0.000 0.834 50 D CB 0.021 40.857 40.800 0.059 0.000 0.955 50 D HN 0.251 nan 8.370 nan 0.000 0.465 51 R N -0.956 119.564 120.500 0.033 0.000 2.100 51 R HA 0.144 4.484 4.340 -0.001 0.000 0.220 51 R C 0.951 177.225 176.300 -0.042 0.000 1.091 51 R CA 0.099 56.193 56.100 -0.009 0.000 0.986 51 R CB 0.016 30.297 30.300 -0.031 0.000 0.888 51 R HN 0.232 nan 8.270 nan 0.000 0.444 52 M N 0.797 120.338 119.600 -0.100 0.000 2.248 52 M HA -0.057 4.423 4.480 -0.001 0.000 0.337 52 M C 1.427 177.657 176.300 -0.117 0.000 1.121 52 M CA 0.360 55.503 55.300 -0.263 0.000 1.155 52 M CB 1.307 33.486 32.600 -0.701 0.000 1.514 52 M HN 0.080 nan 8.290 nan 0.000 0.452 53 S N 1.548 117.171 115.700 -0.128 0.000 2.503 53 S HA 0.073 4.543 4.470 -0.001 0.000 0.215 53 S C 0.628 175.336 174.600 0.180 0.000 1.003 53 S CA -0.187 58.039 58.200 0.043 0.000 0.910 53 S CB -0.132 63.071 63.200 0.004 0.000 0.790 53 S HN 0.766 nan 8.310 nan 0.000 0.514 54 F N 0.775 120.654 119.950 -0.118 0.000 3.084 54 F HA -0.144 4.383 4.527 -0.001 0.000 0.286 54 F C 0.175 175.984 175.800 0.015 0.000 0.855 54 F CA 0.396 58.332 58.000 -0.107 0.000 1.091 54 F CB -1.933 36.979 39.000 -0.147 0.000 1.177 54 F HN 0.121 nan 8.300 nan 0.000 0.542 55 K N 1.146 121.624 120.400 0.130 0.000 2.350 55 K HA 0.145 4.464 4.320 -0.001 0.000 0.279 55 K C 0.295 177.000 176.600 0.175 0.000 1.027 55 K CA -0.099 56.267 56.287 0.131 0.000 0.969 55 K CB 0.576 33.116 32.500 0.067 0.000 0.954 55 K HN 0.081 nan 8.250 nan 0.000 0.474 56 D N 3.586 124.101 120.400 0.192 0.000 2.557 56 D HA 0.147 4.787 4.640 -0.001 0.000 0.236 56 D C -0.198 176.150 176.300 0.079 0.000 1.154 56 D CA -0.471 53.650 54.000 0.203 0.000 0.985 56 D CB -0.529 40.403 40.800 0.220 0.000 1.010 56 D HN 0.510 nan 8.370 nan 0.000 0.516 57 I N -1.215 119.389 120.570 0.056 0.000 2.566 57 I HA 0.463 4.632 4.170 -0.001 0.000 0.303 57 I C -0.043 176.067 176.117 -0.012 0.000 0.983 57 I CA -0.835 60.475 61.300 0.017 0.000 1.235 57 I CB 1.501 39.510 38.000 0.015 0.000 1.386 57 I HN -0.130 nan 8.210 nan 0.000 0.494 58 D N 4.416 124.807 120.400 -0.015 0.000 2.346 58 D HA 0.163 4.803 4.640 -0.001 0.000 0.260 58 D C 0.941 177.230 176.300 -0.018 0.000 1.252 58 D CA 0.129 54.115 54.000 -0.024 0.000 0.895 58 D CB 1.448 42.241 40.800 -0.012 0.000 1.097 58 D HN 0.827 nan 8.370 nan 0.000 0.489 59 G N 2.425 111.198 108.800 -0.044 0.000 2.985 59 G HA2 0.418 4.378 3.960 -0.001 0.000 0.209 59 G HA3 0.418 4.378 3.960 -0.001 0.000 0.209 59 G C 0.891 175.795 174.900 0.007 0.000 1.165 59 G CA 0.388 45.464 45.100 -0.039 0.000 0.776 59 G HN 0.905 nan 8.290 nan 0.000 0.541 60 G N -0.613 108.196 108.800 0.015 0.000 2.445 60 G HA2 -0.129 3.830 3.960 -0.001 0.000 0.212 60 G HA3 -0.129 3.830 3.960 -0.001 0.000 0.212 60 G C 1.190 176.115 174.900 0.042 0.000 1.217 60 G CA 0.676 45.797 45.100 0.034 0.000 1.002 60 G HN 1.115 nan 8.290 nan 0.000 0.574 61 V N -3.557 116.381 119.914 0.040 0.000 2.392 61 V HA 0.051 4.171 4.120 -0.001 0.000 0.249 61 V C 1.485 177.613 176.094 0.058 0.000 1.059 61 V CA 2.454 64.762 62.300 0.013 0.000 1.051 61 V CB -0.604 31.191 31.823 -0.045 0.000 0.658 61 V HN 1.474 nan 8.190 nan 0.000 0.455 62 W N 2.552 123.768 121.300 -0.141 0.000 2.365 62 W HA 0.418 5.078 4.660 -0.001 0.000 0.371 62 W C 1.215 177.702 176.519 -0.053 0.000 1.006 62 W CA -1.692 55.565 57.345 -0.146 0.000 1.528 62 W CB 0.187 29.527 29.460 -0.200 0.000 1.497 62 W HN 0.034 nan 8.180 nan 0.000 0.367 63 K N 2.564 123.060 120.400 0.160 0.000 2.103 63 K HA -0.187 4.133 4.320 -0.001 0.000 0.207 63 K C 0.907 177.436 176.600 -0.119 0.000 1.048 63 K CA 1.559 57.846 56.287 0.001 0.000 0.930 63 K CB 0.140 32.633 32.500 -0.011 0.000 0.716 63 K HN 0.572 nan 8.250 nan 0.000 0.444 64 Q N -0.943 118.748 119.800 -0.181 0.000 2.188 64 Q HA 0.161 4.500 4.340 -0.001 0.000 0.212 64 Q C 0.776 176.426 176.000 -0.582 0.000 0.846 64 Q CA -0.307 55.361 55.803 -0.224 0.000 0.989 64 Q CB 1.281 30.017 28.738 -0.004 0.000 1.114 64 Q HN 0.207 nan 8.270 nan 0.000 0.488 65 G N 0.604 108.634 108.800 -1.282 0.000 3.407 65 G HA2 0.530 4.489 3.960 -0.001 0.000 0.187 65 G HA3 0.530 4.489 3.960 -0.001 0.000 0.187 65 G C -1.425 173.165 174.900 -0.517 0.000 1.262 65 G CA -0.345 43.694 45.100 -1.768 0.000 0.808 65 G HN 0.358 nan 8.290 nan 0.000 0.687 66 W N -1.488 119.527 121.300 -0.475 0.000 2.988 66 W HA 0.630 5.290 4.660 -0.000 0.000 0.355 66 W C -1.458 175.146 176.519 0.141 0.000 1.233 66 W CA -1.171 56.119 57.345 -0.091 0.000 1.176 66 W CB 0.648 30.070 29.460 -0.064 0.000 1.477 66 W HN 0.184 nan 8.180 nan 0.000 0.582 67 N N 2.111 120.958 118.700 0.245 0.000 2.400 67 N HA 0.200 4.939 4.740 -0.001 0.000 0.267 67 N C -0.299 175.343 175.510 0.220 0.000 1.208 67 N CA 0.080 53.232 53.050 0.170 0.000 0.951 67 N CB 0.195 38.783 38.487 0.168 0.000 1.227 67 N HN 0.411 nan 8.380 nan 0.000 0.488 68 I N 2.166 122.773 120.570 0.061 0.000 2.556 68 I HA -0.007 4.162 4.170 -0.001 0.000 0.284 68 I C 0.885 177.160 176.117 0.263 0.000 1.114 68 I CA 0.315 61.718 61.300 0.173 0.000 1.418 68 I CB 0.484 38.532 38.000 0.081 0.000 1.394 68 I HN 0.100 nan 8.210 nan 0.000 0.552 69 K N 6.634 127.226 120.400 0.319 0.000 2.203 69 K HA 0.563 4.882 4.320 -0.001 0.000 0.251 69 K C -1.292 175.477 176.600 0.281 0.000 0.944 69 K CA -0.759 55.653 56.287 0.209 0.000 0.829 69 K CB 2.323 34.911 32.500 0.148 0.000 1.125 69 K HN 0.494 nan 8.250 nan 0.000 0.430 70 Y N -1.896 118.489 120.300 0.142 0.000 2.581 70 Y HA 0.393 4.942 4.550 -0.001 0.000 0.345 70 Y C -0.975 174.992 175.900 0.112 0.000 1.036 70 Y CA -1.527 56.656 58.100 0.139 0.000 1.042 70 Y CB 1.177 39.736 38.460 0.166 0.000 1.289 70 Y HN 0.389 nan 8.280 nan 0.000 0.471 71 D N 2.922 123.461 120.400 0.232 0.000 2.347 71 D HA 0.335 4.974 4.640 -0.001 0.000 0.235 71 D C -1.933 174.518 176.300 0.253 0.000 1.149 71 D CA -2.551 51.531 54.000 0.135 0.000 0.850 71 D CB 1.658 42.514 40.800 0.094 0.000 1.061 71 D HN 0.391 nan 8.370 nan 0.000 0.487 72 P HA -0.079 nan 4.420 nan 0.000 0.219 72 P C 1.294 178.732 177.300 0.229 0.000 1.146 72 P CA 0.823 64.103 63.100 0.300 0.000 0.808 72 P CB 0.232 32.041 31.700 0.182 0.000 0.779 73 L N -0.980 120.328 121.223 0.142 0.000 2.610 73 L HA 0.013 4.352 4.340 -0.001 0.000 0.232 73 L C 2.358 179.267 176.870 0.066 0.000 1.149 73 L CA 0.594 55.494 54.840 0.100 0.000 0.872 73 L CB -0.565 41.532 42.059 0.063 0.000 0.992 73 L HN -0.011 nan 8.230 nan 0.000 0.447 74 K N 0.415 120.838 120.400 0.037 0.000 2.057 74 K HA -0.149 4.170 4.320 -0.001 0.000 0.207 74 K C -0.087 176.369 176.600 -0.239 0.000 1.049 74 K CA 1.174 57.372 56.287 -0.149 0.000 0.931 74 K CB 0.076 32.419 32.500 -0.262 0.000 0.714 74 K HN 0.064 nan 8.250 nan 0.000 0.440 75 Y N 0.876 121.294 120.300 0.197 0.000 2.342 75 Y HA 0.242 4.792 4.550 -0.000 0.000 0.334 75 Y C 0.068 176.045 175.900 0.129 0.000 1.067 75 Y CA -0.998 57.209 58.100 0.178 0.000 1.128 75 Y CB 1.342 39.859 38.460 0.096 0.000 1.200 75 Y HN 0.287 nan 8.280 nan 0.000 0.464 76 N N -0.455 118.397 118.700 0.253 0.000 3.243 76 N HA 0.517 5.256 4.740 -0.001 0.000 0.280 76 N C 0.152 175.691 175.510 0.048 0.000 1.545 76 N CA -0.391 52.733 53.050 0.123 0.000 0.854 76 N CB 0.335 38.877 38.487 0.092 0.000 1.612 76 N HN 0.465 nan 8.380 nan 0.000 0.577 77 A N -0.719 122.041 122.820 -0.100 0.000 1.948 77 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 77 A C 1.167 178.635 177.584 -0.193 0.000 1.177 77 A CA 1.765 53.670 52.037 -0.220 0.000 0.636 77 A CB -1.341 17.416 19.000 -0.405 0.000 0.815 77 A HN 0.765 nan 8.150 nan 0.000 0.449 78 H N -3.696 115.432 119.070 0.097 0.000 2.551 78 H HA 0.217 4.773 4.556 -0.001 0.000 0.271 78 H C -0.096 175.341 175.328 0.182 0.000 0.984 78 H CA 0.576 56.687 56.048 0.104 0.000 1.164 78 H CB 0.226 30.036 29.762 0.080 0.000 1.437 78 H HN 0.657 nan 8.280 nan 0.000 0.550 79 H N 0.488 119.646 119.070 0.147 0.000 2.895 79 H HA 0.286 4.841 4.556 -0.000 0.000 0.282 79 H C -1.081 174.398 175.328 0.251 0.000 1.338 79 H CA -0.728 55.422 56.048 0.170 0.000 1.595 79 H CB 0.083 29.930 29.762 0.142 0.000 1.771 79 H HN 0.021 nan 8.280 nan 0.000 0.573 80 K N 2.343 122.714 120.400 -0.048 0.000 2.087 80 K HA 0.321 4.640 4.320 -0.001 0.000 0.255 80 K C -0.719 175.698 176.600 -0.304 0.000 0.988 80 K CA -1.277 54.956 56.287 -0.090 0.000 0.915 80 K CB 1.774 34.210 32.500 -0.106 0.000 1.043 80 K HN 0.225 nan 8.250 nan 0.000 0.457 81 L N 2.497 123.393 121.223 -0.544 0.000 2.281 81 L HA 0.162 4.501 4.340 -0.001 0.000 0.285 81 L C -0.851 175.741 176.870 -0.463 0.000 1.074 81 L CA 0.275 54.672 54.840 -0.738 0.000 0.817 81 L CB 0.194 41.630 42.059 -1.039 0.000 1.168 81 L HN 0.387 nan 8.230 nan 0.000 0.434 82 K N 4.517 124.674 120.400 -0.405 0.000 2.234 82 K HA 0.524 4.843 4.320 -0.001 0.000 0.277 82 K C -1.155 175.106 176.600 -0.565 0.000 1.038 82 K CA -0.551 55.460 56.287 -0.461 0.000 0.888 82 K CB 1.505 33.788 32.500 -0.362 0.000 1.091 82 K HN 0.397 nan 8.250 nan 0.000 0.467 83 V N 4.803 124.270 119.914 -0.745 0.000 2.384 83 V HA 0.367 4.487 4.120 -0.001 0.000 0.287 83 V C -0.881 174.674 176.094 -0.899 0.000 1.020 83 V CA -0.815 61.000 62.300 -0.808 0.000 0.850 83 V CB 0.642 31.812 31.823 -1.088 0.000 0.987 83 V HN 0.542 nan 8.190 nan 0.000 0.436 84 F N 3.732 123.434 119.950 -0.413 0.000 2.361 84 F HA 0.492 5.019 4.527 -0.001 0.000 0.364 84 F C 0.206 175.827 175.800 -0.298 0.000 1.117 84 F CA -0.711 57.101 58.000 -0.313 0.000 1.071 84 F CB 1.703 40.584 39.000 -0.197 0.000 1.188 84 F HN 0.185 nan 8.300 nan 0.000 0.464 85 V N 5.095 124.972 119.914 -0.061 0.000 2.385 85 V HA 0.281 4.401 4.120 -0.001 0.000 0.269 85 V C -0.172 176.017 176.094 0.158 0.000 1.043 85 V CA -0.605 61.722 62.300 0.045 0.000 0.906 85 V CB 1.185 33.108 31.823 0.165 0.000 0.995 85 V HN 0.433 nan 8.190 nan 0.000 0.467 86 V N 8.379 128.335 119.914 0.071 0.000 2.293 86 V HA 0.314 4.434 4.120 -0.001 0.000 0.275 86 V C -2.354 173.772 176.094 0.054 0.000 1.021 86 V CA -1.929 60.378 62.300 0.013 0.000 0.815 86 V CB 1.417 33.158 31.823 -0.137 0.000 1.025 86 V HN 0.720 nan 8.190 nan 0.000 0.448 87 P HA 0.326 nan 4.420 nan 0.000 0.271 87 P C -0.832 176.478 177.300 0.018 0.000 1.216 87 P CA 0.263 63.343 63.100 -0.035 0.000 0.771 87 P CB 0.356 31.845 31.700 -0.353 0.000 0.864 88 H N -1.129 117.953 119.070 0.019 0.000 2.990 88 H HA 0.800 5.356 4.556 -0.001 0.000 0.336 88 H C -1.474 173.972 175.328 0.197 0.000 1.306 88 H CA -1.133 54.837 56.048 -0.130 0.000 1.118 88 H CB 1.023 30.653 29.762 -0.220 0.000 1.856 88 H HN 0.201 nan 8.280 nan 0.000 0.538 89 S N 0.648 116.377 115.700 0.048 0.000 2.750 89 S HA 0.200 4.669 4.470 -0.001 0.000 0.276 89 S C -1.881 172.645 174.600 -0.123 0.000 1.165 89 S CA -0.664 57.592 58.200 0.094 0.000 1.047 89 S CB 0.162 63.596 63.200 0.390 0.000 1.056 89 S HN 0.838 nan 8.310 nan 0.000 0.481 90 H N 4.428 123.385 119.070 -0.189 0.000 2.864 90 H HA 0.430 4.986 4.556 -0.001 0.000 0.281 90 H C -0.139 174.787 175.328 -0.670 0.000 1.093 90 H CA 0.246 56.095 56.048 -0.332 0.000 1.453 90 H CB 0.221 29.807 29.762 -0.292 0.000 1.462 90 H HN 0.560 nan 8.280 nan 0.000 0.480 91 N N 5.657 123.721 118.700 -1.061 0.000 2.564 91 N HA 0.061 4.801 4.740 -0.001 0.000 0.248 91 N C -1.176 173.890 175.510 -0.739 0.000 0.986 91 N CA -0.588 51.697 53.050 -1.275 0.000 0.921 91 N CB 1.045 39.064 38.487 -0.780 0.000 1.136 91 N HN 0.661 nan 8.380 nan 0.000 0.509 92 D N 2.681 122.671 120.400 -0.684 0.000 2.343 92 D HA 0.101 4.741 4.640 -0.001 0.000 0.255 92 D C -2.072 174.288 176.300 0.100 0.000 1.187 92 D CA -0.881 52.982 54.000 -0.228 0.000 0.875 92 D CB 1.473 42.358 40.800 0.143 0.000 1.136 92 D HN 0.202 nan 8.370 nan 0.000 0.469 93 P HA 0.181 nan 4.420 nan 0.000 0.231 93 P C 0.050 177.552 177.300 0.337 0.000 1.756 93 P CA -0.002 63.128 63.100 0.051 0.000 0.990 93 P CB 0.149 31.748 31.700 -0.167 0.000 1.973 94 G N 0.262 109.434 108.800 0.620 0.000 3.067 94 G HA2 0.016 3.976 3.960 -0.001 0.000 0.686 94 G HA3 0.016 3.976 3.960 -0.001 0.000 0.686 94 G C -1.086 174.344 174.900 0.882 0.000 1.119 94 G CA -0.615 44.877 45.100 0.654 0.000 0.790 94 G HN 0.352 nan 8.290 nan 0.000 0.605 95 W N 2.415 124.052 121.300 0.562 0.000 4.489 95 W HA 0.290 4.949 4.660 -0.001 0.000 0.161 95 W C 0.926 177.625 176.519 0.300 0.000 3.472 95 W CA 0.918 58.560 57.345 0.494 0.000 1.144 95 W CB -0.781 29.043 29.460 0.607 0.000 2.110 95 W HN 0.515 nan 8.180 nan 0.000 0.358 96 I N 1.958 122.555 120.570 0.045 0.000 3.030 96 I HA 0.139 4.309 4.170 -0.001 0.000 0.270 96 I C 0.411 176.422 176.117 -0.177 0.000 1.211 96 I CA 1.073 62.227 61.300 -0.243 0.000 1.479 96 I CB -1.201 36.622 38.000 -0.294 0.000 1.105 96 I HN 0.101 nan 8.210 nan 0.000 0.447 97 Q N -0.086 119.456 119.800 -0.431 0.000 2.458 97 Q HA 0.381 4.721 4.340 -0.001 0.000 0.282 97 Q C 0.144 175.907 176.000 -0.396 0.000 1.106 97 Q CA -0.656 54.836 55.803 -0.519 0.000 0.814 97 Q CB 2.061 30.232 28.738 -0.946 0.000 1.425 97 Q HN 0.237 nan 8.270 nan 0.000 0.437 98 T N -2.124 112.306 114.554 -0.206 0.000 2.766 98 T HA 0.098 4.448 4.350 -0.001 0.000 0.295 98 T C 0.809 175.599 174.700 0.150 0.000 1.024 98 T CA -0.437 61.621 62.100 -0.070 0.000 1.018 98 T CB 0.297 69.153 68.868 -0.019 0.000 1.002 98 T HN 0.570 nan 8.240 nan 0.000 0.532 99 F N 1.240 121.263 119.950 0.123 0.000 2.063 99 F HA -0.173 4.353 4.527 -0.001 0.000 0.298 99 F C 2.462 178.444 175.800 0.305 0.000 1.109 99 F CA 2.464 60.608 58.000 0.241 0.000 1.212 99 F CB -0.375 38.663 39.000 0.062 0.000 0.973 99 F HN 0.786 nan 8.300 nan 0.000 0.480 100 E N 0.362 120.775 120.200 0.355 0.000 2.106 100 E HA -0.174 4.175 4.350 -0.001 0.000 0.192 100 E C 2.022 178.673 176.600 0.085 0.000 0.984 100 E CA 1.728 58.276 56.400 0.247 0.000 0.806 100 E CB -0.293 29.550 29.700 0.238 0.000 0.750 100 E HN 0.616 nan 8.360 nan 0.000 0.458 101 E N -0.967 119.227 120.200 -0.010 0.000 2.058 101 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 101 E C 1.885 178.312 176.600 -0.290 0.000 0.997 101 E CA 1.324 57.573 56.400 -0.252 0.000 0.801 101 E CB -0.280 29.340 29.700 -0.133 0.000 0.746 101 E HN 0.346 nan 8.360 nan 0.000 0.450 102 Y N -0.555 119.711 120.300 -0.057 0.000 2.181 102 Y HA -0.254 4.296 4.550 -0.001 0.000 0.288 102 Y C 2.204 178.042 175.900 -0.104 0.000 1.146 102 Y CA 1.239 59.287 58.100 -0.088 0.000 1.164 102 Y CB -0.768 37.717 38.460 0.041 0.000 0.982 102 Y HN 0.195 nan 8.280 nan 0.000 0.515 103 Y N 0.912 121.223 120.300 0.018 0.000 2.128 103 Y HA -0.295 4.254 4.550 -0.001 0.000 0.284 103 Y C 2.296 178.159 175.900 -0.062 0.000 1.154 103 Y CA 1.941 60.007 58.100 -0.057 0.000 1.149 103 Y CB -0.360 38.060 38.460 -0.068 0.000 0.976 103 Y HN 0.062 nan 8.280 nan 0.000 0.505 104 Q N -0.697 118.993 119.800 -0.183 0.000 2.123 104 Q HA -0.160 4.180 4.340 -0.001 0.000 0.199 104 Q C 2.100 178.054 176.000 -0.075 0.000 0.966 104 Q CA 2.147 57.814 55.803 -0.226 0.000 0.845 104 Q CB -0.538 28.099 28.738 -0.168 0.000 0.907 104 Q HN 0.778 nan 8.270 nan 0.000 0.439 105 H N -0.775 118.316 119.070 0.034 0.000 2.497 105 H HA 0.061 4.617 4.556 -0.001 0.000 0.282 105 H C 0.930 176.349 175.328 0.152 0.000 1.003 105 H CA 0.627 56.727 56.048 0.087 0.000 1.307 105 H CB 0.675 30.453 29.762 0.026 0.000 1.437 105 H HN 0.189 nan 8.280 nan 0.000 0.544 106 D N -1.060 119.448 120.400 0.180 0.000 3.081 106 D HA 0.012 4.651 4.640 -0.001 0.000 0.243 106 D C 1.736 178.100 176.300 0.106 0.000 1.388 106 D CA 0.543 54.636 54.000 0.155 0.000 1.245 106 D CB -0.006 40.782 40.800 -0.020 0.000 1.319 106 D HN 0.058 nan 8.370 nan 0.000 0.377 107 T N 2.509 117.044 114.554 -0.032 0.000 2.788 107 T HA -0.142 4.208 4.350 -0.001 0.000 0.268 107 T C 1.936 176.488 174.700 -0.247 0.000 1.044 107 T CA 1.465 63.510 62.100 -0.091 0.000 1.139 107 T CB -0.078 68.583 68.868 -0.345 0.000 0.867 107 T HN 0.244 nan 8.240 nan 0.000 0.454 108 K N 0.789 120.865 120.400 -0.540 0.000 2.147 108 K HA -0.151 4.168 4.320 -0.001 0.000 0.205 108 K C 1.934 178.303 176.600 -0.385 0.000 1.049 108 K CA 1.415 57.365 56.287 -0.562 0.000 0.936 108 K CB -0.375 31.570 32.500 -0.926 0.000 0.722 108 K HN 0.404 nan 8.250 nan 0.000 0.446 109 H N 1.006 120.017 119.070 -0.098 0.000 2.363 109 H HA 0.049 4.604 4.556 -0.001 0.000 0.301 109 H C 2.305 177.650 175.328 0.028 0.000 1.074 109 H CA 1.413 57.460 56.048 -0.002 0.000 1.354 109 H CB -0.170 29.613 29.762 0.035 0.000 1.397 109 H HN 0.185 nan 8.280 nan 0.000 0.516 110 I N 0.814 121.478 120.570 0.156 0.000 2.163 110 I HA -0.284 3.886 4.170 -0.001 0.000 0.243 110 I C 2.461 178.606 176.117 0.047 0.000 1.085 110 I CA 1.181 62.615 61.300 0.224 0.000 1.347 110 I CB -0.292 37.907 38.000 0.332 0.000 1.044 110 I HN 0.089 nan 8.210 nan 0.000 0.408 111 L N -0.422 120.612 121.223 -0.314 0.000 2.093 111 L HA -0.162 4.177 4.340 -0.001 0.000 0.208 111 L C 2.669 179.207 176.870 -0.554 0.000 1.085 111 L CA 1.029 55.437 54.840 -0.720 0.000 0.755 111 L CB -0.497 40.566 42.059 -1.660 0.000 0.904 111 L HN 0.163 nan 8.230 nan 0.000 0.435 112 S N 0.052 115.556 115.700 -0.326 0.000 2.368 112 S HA -0.130 4.339 4.470 -0.001 0.000 0.225 112 S C 1.710 176.292 174.600 -0.029 0.000 1.030 112 S CA 1.312 59.544 58.200 0.053 0.000 0.999 112 S CB -0.256 63.040 63.200 0.160 0.000 0.844 112 S HN 0.456 nan 8.310 nan 0.000 0.459 113 N N 1.645 120.328 118.700 -0.029 0.000 2.354 113 N HA 0.125 4.865 4.740 -0.001 0.000 0.179 113 N C 1.715 176.932 175.510 -0.489 0.000 1.021 113 N CA 0.959 53.951 53.050 -0.097 0.000 0.887 113 N CB -0.534 38.011 38.487 0.097 0.000 0.974 113 N HN 0.386 nan 8.380 nan 0.000 0.437 114 A N 1.193 123.760 122.820 -0.421 0.000 1.902 114 A HA -0.096 4.224 4.320 -0.001 0.000 0.217 114 A C 2.193 179.505 177.584 -0.454 0.000 1.181 114 A CA 0.950 52.571 52.037 -0.693 0.000 0.623 114 A CB -0.704 18.158 19.000 -0.230 0.000 0.818 114 A HN 0.224 nan 8.150 nan 0.000 0.443 115 L N 0.116 121.211 121.223 -0.213 0.000 2.012 115 L HA -0.161 4.178 4.340 -0.001 0.000 0.210 115 L C 2.479 179.265 176.870 -0.140 0.000 1.073 115 L CA 2.592 57.377 54.840 -0.091 0.000 0.748 115 L CB -0.664 41.410 42.059 0.025 0.000 0.891 115 L HN 0.504 nan 8.230 nan 0.000 0.431 116 R N -1.699 118.678 120.500 -0.206 0.000 2.073 116 R HA -0.180 4.159 4.340 -0.001 0.000 0.234 116 R C 2.370 178.476 176.300 -0.323 0.000 1.134 116 R CA 1.707 57.660 56.100 -0.245 0.000 0.952 116 R CB -0.518 29.614 30.300 -0.279 0.000 0.850 116 R HN 0.567 nan 8.270 nan 0.000 0.433 117 H N 0.413 119.194 119.070 -0.482 0.000 2.389 117 H HA -0.063 4.493 4.556 -0.001 0.000 0.299 117 H C 2.266 177.383 175.328 -0.352 0.000 1.081 117 H CA 1.607 57.354 56.048 -0.501 0.000 1.345 117 H CB 0.045 29.257 29.762 -0.916 0.000 1.393 117 H HN 0.240 nan 8.280 nan 0.000 0.520 118 L N -0.078 120.975 121.223 -0.283 0.000 2.056 118 L HA -0.182 4.158 4.340 -0.001 0.000 0.207 118 L C 2.766 179.607 176.870 -0.049 0.000 1.078 118 L CA 1.065 55.824 54.840 -0.136 0.000 0.749 118 L CB -0.661 41.330 42.059 -0.113 0.000 0.901 118 L HN 0.390 nan 8.230 nan 0.000 0.433 119 H N 0.619 119.616 119.070 -0.122 0.000 2.319 119 H HA -0.215 4.340 4.556 -0.001 0.000 0.297 119 H C 1.301 176.585 175.328 -0.074 0.000 1.097 119 H CA 2.158 58.158 56.048 -0.080 0.000 1.285 119 H CB 0.190 29.903 29.762 -0.083 0.000 1.368 119 H HN 0.327 nan 8.280 nan 0.000 0.495 120 D N 0.147 120.513 120.400 -0.057 0.000 2.347 120 D HA -0.022 4.618 4.640 -0.001 0.000 0.213 120 D C -0.060 176.197 176.300 -0.071 0.000 0.985 120 D CA 0.536 54.484 54.000 -0.087 0.000 0.879 120 D CB -0.147 40.612 40.800 -0.067 0.000 0.919 120 D HN 0.406 nan 8.370 nan 0.000 0.526 121 N N 0.049 118.720 118.700 -0.049 0.000 2.762 121 N HA 0.182 4.922 4.740 -0.001 0.000 0.252 121 N C -2.215 173.300 175.510 0.008 0.000 1.269 121 N CA -1.047 52.007 53.050 0.006 0.000 0.799 121 N CB 2.207 40.727 38.487 0.056 0.000 1.173 121 N HN -0.201 nan 8.380 nan 0.000 0.516 122 P HA -0.157 nan 4.420 nan 0.000 0.221 122 P C 0.674 178.001 177.300 0.046 0.000 1.145 122 P CA 1.158 64.259 63.100 0.001 0.000 0.795 122 P CB 0.402 32.096 31.700 -0.011 0.000 0.775 123 E N -1.722 118.535 120.200 0.095 0.000 2.442 123 E HA 0.057 4.407 4.350 -0.001 0.000 0.195 123 E C 0.836 177.569 176.600 0.223 0.000 1.030 123 E CA 0.068 56.567 56.400 0.165 0.000 0.869 123 E CB -0.407 29.423 29.700 0.216 0.000 0.857 123 E HN 0.257 nan 8.360 nan 0.000 0.505 124 M N 1.637 121.303 119.600 0.109 0.000 2.243 124 M HA 0.096 4.575 4.480 -0.001 0.000 0.341 124 M C -0.291 175.984 176.300 -0.041 0.000 1.130 124 M CA 0.212 55.467 55.300 -0.076 0.000 1.162 124 M CB 0.455 32.994 32.600 -0.102 0.000 1.497 124 M HN -0.346 nan 8.290 nan 0.000 0.456 125 K N 3.103 123.440 120.400 -0.104 0.000 2.444 125 K HA 0.651 4.970 4.320 -0.001 0.000 0.252 125 K C -1.712 174.918 176.600 0.049 0.000 0.993 125 K CA -0.499 55.788 56.287 0.001 0.000 0.847 125 K CB 2.214 34.740 32.500 0.044 0.000 1.340 125 K HN 0.657 nan 8.250 nan 0.000 0.446 126 F N 1.470 121.333 119.950 -0.145 0.000 2.672 126 F HA 0.437 4.964 4.527 -0.001 0.000 0.311 126 F C -1.399 174.293 175.800 -0.179 0.000 1.113 126 F CA -1.304 56.597 58.000 -0.165 0.000 0.996 126 F CB 1.035 40.014 39.000 -0.035 0.000 1.286 126 F HN 0.458 nan 8.300 nan 0.000 0.441 127 I N 1.834 122.070 120.570 -0.556 0.000 2.648 127 I HA 0.598 4.768 4.170 -0.001 0.000 0.304 127 I C -1.677 174.011 176.117 -0.715 0.000 1.009 127 I CA -0.590 60.342 61.300 -0.613 0.000 1.114 127 I CB 2.460 40.045 38.000 -0.690 0.000 1.293 127 I HN 0.690 nan 8.210 nan 0.000 0.449 128 W N 4.541 125.448 121.300 -0.656 0.000 2.957 128 W HA 0.629 5.289 4.660 -0.001 0.000 0.336 128 W C -0.727 175.708 176.519 -0.140 0.000 1.087 128 W CA -0.539 56.553 57.345 -0.422 0.000 1.235 128 W CB 2.679 31.939 29.460 -0.332 0.000 1.399 128 W HN 0.788 nan 8.180 nan 0.000 0.480 129 A N 3.422 125.876 122.820 -0.610 0.000 1.984 129 A HA 0.160 4.479 4.320 -0.001 0.000 0.203 129 A C -0.040 177.501 177.584 -0.072 0.000 1.292 129 A CA 0.510 52.426 52.037 -0.201 0.000 0.782 129 A CB 0.013 18.951 19.000 -0.104 0.000 0.924 129 A HN 0.503 nan 8.150 nan 0.000 0.475 130 E N 0.971 121.027 120.200 -0.241 0.000 2.014 130 E HA 0.322 4.672 4.350 -0.001 0.000 0.275 130 E C 0.401 177.163 176.600 0.269 0.000 0.997 130 E CA -0.288 56.134 56.400 0.037 0.000 0.804 130 E CB 0.823 30.537 29.700 0.024 0.000 1.090 130 E HN 0.273 nan 8.360 nan 0.000 0.401 131 I N 1.510 122.132 120.570 0.087 0.000 2.761 131 I HA -0.185 3.985 4.170 -0.001 0.000 0.261 131 I C 1.950 177.716 176.117 -0.584 0.000 1.198 131 I CA 0.871 62.147 61.300 -0.041 0.000 1.482 131 I CB -1.344 36.684 38.000 0.047 0.000 1.100 131 I HN 0.415 nan 8.210 nan 0.000 0.445 132 S N 1.166 116.230 115.700 -1.061 0.000 2.365 132 S HA -0.265 4.205 4.470 -0.001 0.000 0.225 132 S C 2.142 176.450 174.600 -0.488 0.000 1.039 132 S CA 1.284 58.503 58.200 -1.635 0.000 1.033 132 S CB -1.013 61.294 63.200 -1.488 0.000 0.887 132 S HN 0.355 nan 8.310 nan 0.000 0.447 133 Y N 0.674 120.991 120.300 0.029 0.000 2.200 133 Y HA 0.112 4.662 4.550 -0.001 0.000 0.290 133 Y C 2.239 178.199 175.900 0.100 0.000 1.137 133 Y CA 0.458 58.671 58.100 0.188 0.000 1.163 133 Y CB -0.972 37.699 38.460 0.351 0.000 0.988 133 Y HN 0.336 nan 8.280 nan 0.000 0.518 134 F N 0.004 120.027 119.950 0.122 0.000 2.134 134 F HA -0.173 4.354 4.527 -0.001 0.000 0.299 134 F C 2.347 177.980 175.800 -0.279 0.000 1.097 134 F CA 1.301 59.250 58.000 -0.086 0.000 1.264 134 F CB -0.481 38.459 39.000 -0.100 0.000 1.001 134 F HN -0.017 nan 8.300 nan 0.000 0.479 135 A N 0.224 122.698 122.820 -0.577 0.000 1.902 135 A HA -0.226 4.094 4.320 -0.001 0.000 0.217 135 A C 2.153 179.629 177.584 -0.181 0.000 1.181 135 A CA 1.798 53.332 52.037 -0.839 0.000 0.623 135 A CB -0.783 17.577 19.000 -1.067 0.000 0.818 135 A HN 0.399 nan 8.150 nan 0.000 0.443 136 R N -1.102 119.330 120.500 -0.114 0.000 2.091 136 R HA -0.149 4.190 4.340 -0.001 0.000 0.238 136 R C 1.744 177.994 176.300 -0.082 0.000 1.136 136 R CA 2.083 58.125 56.100 -0.097 0.000 0.959 136 R CB -0.784 29.399 30.300 -0.196 0.000 0.856 136 R HN 0.504 nan 8.270 nan 0.000 0.437 137 F N -0.507 119.361 119.950 -0.137 0.000 2.098 137 F HA -0.078 4.448 4.527 -0.001 0.000 0.294 137 F C 1.928 177.649 175.800 -0.132 0.000 1.107 137 F CA 1.454 59.431 58.000 -0.038 0.000 1.234 137 F CB -0.790 38.135 39.000 -0.125 0.000 1.002 137 F HN 0.094 nan 8.300 nan 0.000 0.472 138 Y N 0.432 120.513 120.300 -0.364 0.000 2.165 138 Y HA -0.275 4.275 4.550 -0.001 0.000 0.286 138 Y C 2.711 178.416 175.900 -0.325 0.000 1.155 138 Y CA 2.291 60.160 58.100 -0.386 0.000 1.164 138 Y CB -0.753 37.592 38.460 -0.192 0.000 0.978 138 Y HN 0.149 nan 8.280 nan 0.000 0.513 139 H N -0.829 118.227 119.070 -0.022 0.000 2.521 139 H HA -0.081 4.474 4.556 -0.001 0.000 0.286 139 H C 0.991 176.215 175.328 -0.173 0.000 1.034 139 H CA 1.454 57.453 56.048 -0.081 0.000 1.278 139 H CB -0.061 29.708 29.762 0.012 0.000 1.386 139 H HN 0.448 nan 8.280 nan 0.000 0.567 140 D N 0.029 120.342 120.400 -0.144 0.000 2.350 140 D HA 0.080 4.719 4.640 -0.001 0.000 0.213 140 D C 0.590 176.714 176.300 -0.294 0.000 1.031 140 D CA 0.047 53.943 54.000 -0.173 0.000 0.861 140 D CB 0.352 41.083 40.800 -0.114 0.000 0.926 140 D HN 0.189 nan 8.370 nan 0.000 0.520 141 L N 0.659 121.613 121.223 -0.449 0.000 2.397 141 L HA 0.320 4.659 4.340 -0.001 0.000 0.271 141 L C 1.373 178.058 176.870 -0.309 0.000 1.148 141 L CA -0.607 53.960 54.840 -0.455 0.000 0.825 141 L CB 0.954 42.660 42.059 -0.589 0.000 1.117 141 L HN -0.025 nan 8.230 nan 0.000 0.456 142 G N 0.960 109.626 108.800 -0.224 0.000 2.594 142 G HA2 0.012 3.971 3.960 -0.001 0.000 0.243 142 G HA3 0.012 3.971 3.960 -0.001 0.000 0.243 142 G C 0.658 175.462 174.900 -0.160 0.000 1.229 142 G CA -0.281 44.725 45.100 -0.156 0.000 0.843 142 G HN 0.806 nan 8.290 nan 0.000 0.578 143 E N 0.251 120.386 120.200 -0.108 0.000 2.085 143 E HA -0.206 4.144 4.350 -0.001 0.000 0.194 143 E C 2.221 178.784 176.600 -0.063 0.000 0.994 143 E CA 1.563 57.914 56.400 -0.081 0.000 0.801 143 E CB -0.136 29.540 29.700 -0.039 0.000 0.743 143 E HN 0.591 nan 8.360 nan 0.000 0.453 144 N N 0.144 118.809 118.700 -0.059 0.000 2.069 144 N HA -0.200 4.540 4.740 -0.001 0.000 0.191 144 N C 1.439 176.915 175.510 -0.056 0.000 1.031 144 N CA 1.411 54.432 53.050 -0.048 0.000 0.852 144 N CB 0.010 38.467 38.487 -0.051 0.000 1.018 144 N HN 0.053 nan 8.380 nan 0.000 0.423 145 K N 1.217 121.565 120.400 -0.087 0.000 2.103 145 K HA -0.029 4.290 4.320 -0.001 0.000 0.204 145 K C 2.026 178.594 176.600 -0.053 0.000 1.052 145 K CA 0.596 56.833 56.287 -0.084 0.000 0.945 145 K CB -0.193 32.237 32.500 -0.116 0.000 0.722 145 K HN 0.321 nan 8.250 nan 0.000 0.443 146 K N 0.875 121.200 120.400 -0.125 0.000 2.044 146 K HA -0.104 4.216 4.320 -0.001 0.000 0.210 146 K C 2.275 178.954 176.600 0.131 0.000 1.049 146 K CA 1.201 57.433 56.287 -0.092 0.000 0.927 146 K CB -0.246 32.092 32.500 -0.271 0.000 0.713 146 K HN 0.053 nan 8.250 nan 0.000 0.443 147 L N 1.020 122.286 121.223 0.073 0.000 2.046 147 L HA -0.221 4.119 4.340 -0.001 0.000 0.208 147 L C 2.586 179.522 176.870 0.110 0.000 1.077 147 L CA 1.292 56.191 54.840 0.098 0.000 0.747 147 L CB -0.424 41.670 42.059 0.058 0.000 0.896 147 L HN 0.254 nan 8.230 nan 0.000 0.432 148 Q N -0.835 119.011 119.800 0.077 0.000 2.096 148 Q HA -0.273 4.066 4.340 -0.001 0.000 0.204 148 Q C 2.214 178.302 176.000 0.146 0.000 0.982 148 Q CA 1.762 57.617 55.803 0.088 0.000 0.850 148 Q CB -0.215 28.517 28.738 -0.011 0.000 0.901 148 Q HN 0.373 nan 8.270 nan 0.000 0.422 149 M N 1.162 120.878 119.600 0.193 0.000 2.099 149 M HA -0.147 4.332 4.480 -0.001 0.000 0.262 149 M C 1.631 178.112 176.300 0.301 0.000 1.067 149 M CA 1.758 57.236 55.300 0.297 0.000 1.124 149 M CB 0.014 32.888 32.600 0.456 0.000 1.353 149 M HN -0.097 nan 8.290 nan 0.000 0.410 150 K N -1.012 119.566 120.400 0.296 0.000 2.103 150 K HA -0.151 4.168 4.320 -0.001 0.000 0.207 150 K C 2.279 178.974 176.600 0.158 0.000 1.048 150 K CA 1.598 58.022 56.287 0.229 0.000 0.930 150 K CB -0.447 32.175 32.500 0.204 0.000 0.716 150 K HN 0.414 nan 8.250 nan 0.000 0.444 151 S N 1.492 117.277 115.700 0.141 0.000 2.368 151 S HA -0.082 4.387 4.470 -0.001 0.000 0.224 151 S C 1.953 176.608 174.600 0.092 0.000 1.029 151 S CA 0.999 59.263 58.200 0.105 0.000 0.988 151 S CB -0.227 63.035 63.200 0.104 0.000 0.838 151 S HN 0.397 nan 8.310 nan 0.000 0.462 152 I N -0.788 119.847 120.570 0.108 0.000 2.676 152 I HA 0.041 4.211 4.170 -0.001 0.000 0.259 152 I C 1.810 177.958 176.117 0.053 0.000 1.194 152 I CA 0.742 62.087 61.300 0.075 0.000 1.473 152 I CB -0.330 37.715 38.000 0.076 0.000 1.096 152 I HN 0.103 nan 8.210 nan 0.000 0.443 153 V N 1.499 121.462 119.914 0.082 0.000 2.379 153 V HA -0.171 3.949 4.120 -0.001 0.000 0.243 153 V C 2.688 178.814 176.094 0.054 0.000 1.035 153 V CA 1.950 64.287 62.300 0.061 0.000 1.035 153 V CB -0.680 31.238 31.823 0.158 0.000 0.673 153 V HN 0.422 nan 8.190 nan 0.000 0.457 154 K N 1.522 121.962 120.400 0.067 0.000 2.097 154 K HA -0.220 4.099 4.320 -0.001 0.000 0.206 154 K C 1.760 178.376 176.600 0.028 0.000 1.049 154 K CA 1.839 58.154 56.287 0.047 0.000 0.933 154 K CB -0.199 32.331 32.500 0.050 0.000 0.717 154 K HN 0.660 nan 8.250 nan 0.000 0.442 155 N N -0.568 118.148 118.700 0.028 0.000 2.398 155 N HA 0.000 4.740 4.740 -0.001 0.000 0.188 155 N C 0.835 176.348 175.510 0.006 0.000 1.122 155 N CA 1.069 54.128 53.050 0.016 0.000 0.866 155 N CB 0.444 38.942 38.487 0.017 0.000 0.970 155 N HN 0.328 nan 8.380 nan 0.000 0.462 156 G N -0.199 108.600 108.800 -0.000 0.000 2.157 156 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.248 156 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.248 156 G C 0.783 175.669 174.900 -0.023 0.000 0.979 156 G CA 0.479 45.568 45.100 -0.018 0.000 0.650 156 G HN 0.457 nan 8.290 nan 0.000 0.529 157 Q N -1.300 118.494 119.800 -0.011 0.000 2.096 157 Q HA 0.215 4.554 4.340 -0.001 0.000 0.197 157 Q C 1.184 177.174 176.000 -0.016 0.000 0.964 157 Q CA 1.049 56.850 55.803 -0.003 0.000 0.838 157 Q CB 0.188 28.930 28.738 0.008 0.000 0.906 157 Q HN 0.575 nan 8.270 nan 0.000 0.444 158 L N 1.238 122.433 121.223 -0.047 0.000 2.272 158 L HA 0.291 4.630 4.340 -0.001 0.000 0.289 158 L C -0.947 175.747 176.870 -0.293 0.000 1.032 158 L CA -0.043 54.721 54.840 -0.127 0.000 0.810 158 L CB 1.445 43.438 42.059 -0.111 0.000 1.205 158 L HN -0.068 nan 8.230 nan 0.000 0.422 159 E N 4.218 124.204 120.200 -0.357 0.000 2.210 159 E HA 0.363 4.712 4.350 -0.001 0.000 0.266 159 E C -1.461 174.864 176.600 -0.458 0.000 0.883 159 E CA -0.746 55.448 56.400 -0.344 0.000 0.761 159 E CB 0.991 30.570 29.700 -0.201 0.000 1.156 159 E HN 0.494 nan 8.360 nan 0.000 0.412 160 F N 3.191 123.088 119.950 -0.089 0.000 2.427 160 F HA 0.218 4.744 4.527 -0.001 0.000 0.352 160 F C 0.308 176.071 175.800 -0.061 0.000 1.100 160 F CA -0.507 57.453 58.000 -0.067 0.000 1.191 160 F CB 1.177 40.148 39.000 -0.048 0.000 1.128 160 F HN 0.179 nan 8.300 nan 0.000 0.533 161 V N 0.023 119.994 119.914 0.094 0.000 2.495 161 V HA 0.647 4.766 4.120 -0.001 0.000 0.298 161 V C 0.245 176.460 176.094 0.202 0.000 1.031 161 V CA -0.499 61.849 62.300 0.080 0.000 0.871 161 V CB 0.912 32.665 31.823 -0.116 0.000 0.988 161 V HN 0.979 nan 8.190 nan 0.000 0.432 162 T N 3.264 118.010 114.554 0.321 0.000 12.940 162 T HA -0.311 4.038 4.350 -0.001 0.000 0.419 162 T C 1.763 176.688 174.700 0.375 0.000 1.444 162 T CA 2.883 65.222 62.100 0.397 0.000 2.373 162 T CB -1.695 67.314 68.868 0.234 0.000 2.821 162 T HN 2.783 nan 8.240 nan 0.000 0.696 163 G N 1.867 110.826 108.800 0.265 0.000 2.136 163 G HA2 0.101 4.061 3.960 -0.001 0.000 0.242 163 G HA3 0.101 4.061 3.960 -0.001 0.000 0.242 163 G C 0.332 175.371 174.900 0.232 0.000 0.989 163 G CA 0.586 45.819 45.100 0.221 0.000 0.682 163 G HN 1.584 nan 8.290 nan 0.000 0.522 164 G N -1.561 107.376 108.800 0.228 0.000 2.606 164 G HA2 0.343 4.303 3.960 -0.001 0.000 0.252 164 G HA3 0.343 4.303 3.960 -0.001 0.000 0.252 164 G C 0.990 176.066 174.900 0.292 0.000 1.206 164 G CA 0.222 45.468 45.100 0.243 0.000 0.861 164 G HN 0.347 nan 8.290 nan 0.000 0.561 165 W N 0.492 121.840 121.300 0.079 0.000 2.342 165 W HA -0.035 4.625 4.660 -0.001 0.000 0.297 165 W C 0.719 177.273 176.519 0.058 0.000 1.213 165 W CA 1.879 59.256 57.345 0.054 0.000 1.251 165 W CB 0.245 29.720 29.460 0.026 0.000 1.136 165 W HN 0.412 nan 8.180 nan 0.000 0.526 166 V N -2.746 117.291 119.914 0.204 0.000 3.156 166 V HA 0.495 4.615 4.120 -0.001 0.000 0.310 166 V C -0.461 175.724 176.094 0.152 0.000 1.234 166 V CA -1.284 61.087 62.300 0.118 0.000 1.065 166 V CB 1.749 33.661 31.823 0.149 0.000 1.088 166 V HN -0.059 nan 8.190 nan 0.000 0.451 167 M N 3.969 123.686 119.600 0.195 0.000 2.152 167 M HA 0.505 4.985 4.480 -0.001 0.000 0.354 167 M C -2.673 173.783 176.300 0.260 0.000 1.173 167 M CA -1.887 53.543 55.300 0.217 0.000 1.110 167 M CB 1.312 34.066 32.600 0.255 0.000 1.366 167 M HN 0.643 nan 8.290 nan 0.000 0.415 168 P HA 0.125 nan 4.420 nan 0.000 0.277 168 P C -0.939 176.371 177.300 0.016 0.000 1.240 168 P CA -0.203 62.949 63.100 0.087 0.000 0.798 168 P CB 0.563 32.302 31.700 0.065 0.000 0.979 169 D N 0.720 121.091 120.400 -0.048 0.000 2.478 169 D HA -0.089 4.551 4.640 -0.001 0.000 0.234 169 D C 0.733 177.046 176.300 0.021 0.000 1.154 169 D CA 0.738 54.692 54.000 -0.077 0.000 0.874 169 D CB 0.450 41.216 40.800 -0.056 0.000 1.198 169 D HN 0.311 nan 8.370 nan 0.000 0.455 170 E N 1.499 121.755 120.200 0.094 0.000 2.511 170 E HA 0.178 4.528 4.350 -0.001 0.000 0.209 170 E C 0.948 177.719 176.600 0.285 0.000 0.986 170 E CA 0.080 56.602 56.400 0.204 0.000 0.974 170 E CB 0.628 30.466 29.700 0.230 0.000 1.030 170 E HN 0.475 nan 8.360 nan 0.000 0.490 171 A N 1.515 124.456 122.820 0.201 0.000 1.887 171 A HA 0.017 4.336 4.320 -0.001 0.000 0.210 171 A C 1.829 179.303 177.584 -0.184 0.000 1.221 171 A CA 0.603 52.535 52.037 -0.175 0.000 0.635 171 A CB 0.025 18.904 19.000 -0.202 0.000 0.881 171 A HN 0.031 nan 8.150 nan 0.000 0.456 172 N N 0.644 119.324 118.700 -0.033 0.000 2.356 172 N HA 0.010 4.750 4.740 -0.001 0.000 0.178 172 N C 0.417 175.918 175.510 -0.016 0.000 1.075 172 N CA 0.754 53.780 53.050 -0.040 0.000 0.889 172 N CB 0.060 38.567 38.487 0.033 0.000 0.999 172 N HN 0.495 nan 8.380 nan 0.000 0.464 173 S N 0.809 116.510 115.700 0.002 0.000 2.549 173 S HA 0.037 4.506 4.470 -0.001 0.000 0.279 173 S C 0.038 174.655 174.600 0.028 0.000 1.321 173 S CA -0.574 57.639 58.200 0.022 0.000 1.054 173 S CB 1.119 64.335 63.200 0.027 0.000 0.899 173 S HN 0.204 nan 8.310 nan 0.000 0.497 174 H N 3.467 122.516 119.070 -0.035 0.000 2.652 174 H HA 0.030 4.586 4.556 -0.001 0.000 0.349 174 H C 1.281 176.584 175.328 -0.042 0.000 1.099 174 H CA -0.175 55.839 56.048 -0.057 0.000 1.417 174 H CB 0.511 30.190 29.762 -0.139 0.000 1.457 174 H HN 1.030 nan 8.280 nan 0.000 0.568 175 W N 5.831 127.038 121.300 -0.155 0.000 2.325 175 W HA -0.186 4.473 4.660 -0.001 0.000 0.299 175 W C 1.125 177.709 176.519 0.109 0.000 1.215 175 W CA 0.479 57.805 57.345 -0.032 0.000 1.244 175 W CB -0.496 28.883 29.460 -0.136 0.000 1.140 175 W HN 0.537 nan 8.180 nan 0.000 0.523 176 R N 0.801 120.940 120.500 -0.601 0.000 2.096 176 R HA -0.138 4.201 4.340 -0.001 0.000 0.235 176 R C 2.015 178.154 176.300 -0.267 0.000 1.127 176 R CA 1.919 57.571 56.100 -0.746 0.000 0.968 176 R CB -0.429 29.365 30.300 -0.843 0.000 0.861 176 R HN 0.160 nan 8.270 nan 0.000 0.440 177 N N -0.178 118.447 118.700 -0.126 0.000 2.376 177 N HA -0.057 4.683 4.740 -0.001 0.000 0.177 177 N C 1.736 177.249 175.510 0.006 0.000 1.024 177 N CA 0.715 53.733 53.050 -0.053 0.000 0.893 177 N CB -0.017 38.457 38.487 -0.022 0.000 0.980 177 N HN 0.001 nan 8.380 nan 0.000 0.439 178 V N 1.478 121.419 119.914 0.044 0.000 2.343 178 V HA -0.175 3.944 4.120 -0.001 0.000 0.247 178 V C 2.337 178.474 176.094 0.072 0.000 1.051 178 V CA 1.094 63.438 62.300 0.073 0.000 1.036 178 V CB -0.504 31.381 31.823 0.103 0.000 0.654 178 V HN 0.192 nan 8.190 nan 0.000 0.451 179 L N -0.264 121.010 121.223 0.085 0.000 2.056 179 L HA -0.107 4.233 4.340 -0.001 0.000 0.207 179 L C 2.181 179.063 176.870 0.019 0.000 1.078 179 L CA 1.793 56.676 54.840 0.073 0.000 0.749 179 L CB -0.710 41.423 42.059 0.124 0.000 0.901 179 L HN 0.281 nan 8.230 nan 0.000 0.433 180 L N -0.038 121.175 121.223 -0.017 0.000 2.012 180 L HA -0.261 4.078 4.340 -0.001 0.000 0.210 180 L C 2.585 179.446 176.870 -0.015 0.000 1.073 180 L CA 2.401 57.220 54.840 -0.035 0.000 0.748 180 L CB -0.769 41.251 42.059 -0.066 0.000 0.891 180 L HN 0.687 nan 8.230 nan 0.000 0.431 181 Q N -1.083 118.730 119.800 0.023 0.000 2.172 181 Q HA -0.178 4.161 4.340 -0.001 0.000 0.200 181 Q C 2.022 178.105 176.000 0.139 0.000 0.964 181 Q CA 1.934 57.784 55.803 0.079 0.000 0.855 181 Q CB -1.132 27.688 28.738 0.137 0.000 0.918 181 Q HN 0.463 nan 8.270 nan 0.000 0.444 182 L N 0.935 122.225 121.223 0.111 0.000 2.017 182 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 182 L C 1.952 178.903 176.870 0.135 0.000 1.073 182 L CA 2.505 57.424 54.840 0.131 0.000 0.745 182 L CB -1.044 41.070 42.059 0.091 0.000 0.894 182 L HN 0.343 nan 8.230 nan 0.000 0.432 183 T N -0.999 113.604 114.554 0.081 0.000 2.788 183 T HA -0.192 4.158 4.350 -0.001 0.000 0.268 183 T C 1.732 176.486 174.700 0.089 0.000 1.044 183 T CA 1.460 63.601 62.100 0.069 0.000 1.139 183 T CB -0.188 68.693 68.868 0.021 0.000 0.867 183 T HN 0.333 nan 8.240 nan 0.000 0.454 184 E N 0.967 121.193 120.200 0.043 0.000 2.051 184 E HA -0.037 4.313 4.350 -0.001 0.000 0.192 184 E C 2.361 179.083 176.600 0.203 0.000 0.991 184 E CA 1.523 57.901 56.400 -0.037 0.000 0.799 184 E CB -0.877 28.607 29.700 -0.359 0.000 0.748 184 E HN 0.444 nan 8.360 nan 0.000 0.449 185 G N -0.045 108.977 108.800 0.370 0.000 2.402 185 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.216 185 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.216 185 G C 1.502 176.621 174.900 0.366 0.000 1.162 185 G CA 0.722 46.123 45.100 0.501 0.000 0.777 185 G HN 0.267 nan 8.290 nan 0.000 0.539 186 Q N -0.183 119.769 119.800 0.253 0.000 2.123 186 Q HA -0.065 4.275 4.340 -0.001 0.000 0.199 186 Q C 2.838 178.936 176.000 0.164 0.000 0.966 186 Q CA 1.491 57.403 55.803 0.182 0.000 0.845 186 Q CB -0.261 28.566 28.738 0.150 0.000 0.907 186 Q HN 0.418 nan 8.270 nan 0.000 0.439 187 T N 0.262 114.924 114.554 0.180 0.000 2.746 187 T HA -0.197 4.153 4.350 -0.001 0.000 0.267 187 T C 1.101 175.905 174.700 0.175 0.000 1.039 187 T CA 1.179 63.364 62.100 0.142 0.000 1.142 187 T CB -0.404 68.541 68.868 0.129 0.000 0.866 187 T HN 0.473 nan 8.240 nan 0.000 0.444 188 W N 1.547 122.949 121.300 0.172 0.000 2.355 188 W HA -0.048 4.612 4.660 -0.001 0.000 0.309 188 W C 1.827 178.471 176.519 0.209 0.000 1.206 188 W CA 0.926 58.453 57.345 0.304 0.000 1.284 188 W CB -0.439 29.269 29.460 0.413 0.000 1.145 188 W HN 0.144 nan 8.180 nan 0.000 0.502 189 L N 0.589 122.019 121.223 0.346 0.000 2.046 189 L HA -0.243 4.097 4.340 -0.001 0.000 0.208 189 L C 2.621 179.425 176.870 -0.109 0.000 1.077 189 L CA 1.851 56.723 54.840 0.053 0.000 0.747 189 L CB -0.925 41.107 42.059 -0.046 0.000 0.896 189 L HN -0.013 nan 8.230 nan 0.000 0.432 190 K N 0.028 120.385 120.400 -0.072 0.000 2.026 190 K HA -0.268 4.052 4.320 -0.001 0.000 0.208 190 K C 2.192 178.660 176.600 -0.221 0.000 1.048 190 K CA 1.679 57.899 56.287 -0.111 0.000 0.929 190 K CB -0.051 32.410 32.500 -0.065 0.000 0.713 190 K HN 0.252 nan 8.250 nan 0.000 0.439 191 Q N -0.832 118.766 119.800 -0.336 0.000 2.050 191 Q HA -0.152 4.188 4.340 -0.001 0.000 0.202 191 Q C 1.517 177.038 176.000 -0.798 0.000 0.980 191 Q CA 1.797 57.238 55.803 -0.604 0.000 0.840 191 Q CB 0.033 28.275 28.738 -0.827 0.000 0.898 191 Q HN 0.317 nan 8.270 nan 0.000 0.424 192 F N -1.470 118.125 119.950 -0.591 0.000 2.559 192 F HA 0.114 4.641 4.527 -0.001 0.000 0.286 192 F C 1.639 177.157 175.800 -0.471 0.000 1.108 192 F CA 0.251 57.848 58.000 -0.672 0.000 1.436 192 F CB 0.378 38.561 39.000 -1.362 0.000 1.130 192 F HN 0.102 nan 8.300 nan 0.000 0.584 193 M N -0.943 118.509 119.600 -0.247 0.000 2.308 193 M HA 0.226 4.706 4.480 -0.001 0.000 0.269 193 M C 0.319 176.594 176.300 -0.041 0.000 1.040 193 M CA 0.124 55.373 55.300 -0.085 0.000 1.024 193 M CB -1.179 31.397 32.600 -0.041 0.000 1.465 193 M HN 0.098 nan 8.290 nan 0.000 0.517 194 N N 1.906 120.551 118.700 -0.092 0.000 2.727 194 N HA -0.134 4.606 4.740 -0.001 0.000 0.249 194 N C -0.935 174.556 175.510 -0.032 0.000 1.048 194 N CA 0.757 53.769 53.050 -0.065 0.000 0.714 194 N CB -0.902 37.559 38.487 -0.044 0.000 0.959 194 N HN 0.377 nan 8.380 nan 0.000 0.544 195 V N -4.005 115.891 119.914 -0.030 0.000 3.049 195 V HA 0.879 4.998 4.120 -0.001 0.000 0.309 195 V C 0.013 176.092 176.094 -0.026 0.000 1.148 195 V CA -0.465 61.831 62.300 -0.006 0.000 0.990 195 V CB 2.375 34.237 31.823 0.065 0.000 1.039 195 V HN 0.051 nan 8.190 nan 0.000 0.430 196 T N 3.772 118.301 114.554 -0.041 0.000 2.930 196 T HA 0.564 4.913 4.350 -0.001 0.000 0.313 196 T C -2.743 171.874 174.700 -0.139 0.000 1.019 196 T CA -0.734 61.322 62.100 -0.072 0.000 1.004 196 T CB 1.282 70.100 68.868 -0.084 0.000 0.987 196 T HN 0.775 nan 8.240 nan 0.000 0.456 197 P HA 0.161 nan 4.420 nan 0.000 0.266 197 P C 0.868 177.781 177.300 -0.645 0.000 1.195 197 P CA -0.141 62.836 63.100 -0.206 0.000 0.768 197 P CB 0.529 32.220 31.700 -0.015 0.000 0.838 198 T N -1.704 112.528 114.554 -0.537 0.000 3.040 198 T HA 0.541 4.890 4.350 -0.001 0.000 0.266 198 T C 0.337 174.858 174.700 -0.298 0.000 1.005 198 T CA -0.272 61.399 62.100 -0.715 0.000 0.906 198 T CB 0.124 68.777 68.868 -0.358 0.000 1.082 198 T HN 0.415 nan 8.240 nan 0.000 0.531 199 A N 0.812 123.611 122.820 -0.036 0.000 2.343 199 A HA 0.799 5.118 4.320 -0.001 0.000 0.316 199 A C -0.182 177.658 177.584 0.427 0.000 1.104 199 A CA -0.702 51.460 52.037 0.208 0.000 0.768 199 A CB 1.845 20.977 19.000 0.221 0.000 1.213 199 A HN 0.258 nan 8.150 nan 0.000 0.456 200 S N 2.063 118.007 115.700 0.407 0.000 2.549 200 S HA 0.698 5.167 4.470 -0.001 0.000 0.297 200 S C -1.164 173.625 174.600 0.315 0.000 1.115 200 S CA -0.432 57.952 58.200 0.306 0.000 1.059 200 S CB 0.789 64.007 63.200 0.031 0.000 1.046 200 S HN 0.817 nan 8.310 nan 0.000 0.506 201 W N 4.353 125.668 121.300 0.025 0.000 2.587 201 W HA 0.632 5.291 4.660 -0.001 0.000 0.324 201 W C -1.590 174.880 176.519 -0.081 0.000 1.008 201 W CA -0.817 56.498 57.345 -0.050 0.000 1.265 201 W CB 1.188 30.592 29.460 -0.094 0.000 1.328 201 W HN 0.787 nan 8.180 nan 0.000 0.432 202 A N 7.922 130.587 122.820 -0.258 0.000 2.763 202 A HA 0.315 4.634 4.320 -0.001 0.000 0.325 202 A C 0.194 177.525 177.584 -0.422 0.000 1.209 202 A CA -0.482 51.406 52.037 -0.247 0.000 0.764 202 A CB -0.212 18.767 19.000 -0.035 0.000 1.120 202 A HN 0.716 nan 8.150 nan 0.000 0.463 203 I N -2.450 117.706 120.570 -0.689 0.000 3.645 203 I HA 0.303 4.473 4.170 -0.001 0.000 0.300 203 I C 0.810 176.613 176.117 -0.524 0.000 1.260 203 I CA 0.775 61.632 61.300 -0.739 0.000 1.365 203 I CB 0.474 37.785 38.000 -1.149 0.000 1.077 203 I HN 0.346 nan 8.210 nan 0.000 0.439 204 D N 0.496 120.536 120.400 -0.600 0.000 2.489 204 D HA 0.252 4.892 4.640 -0.001 0.000 0.231 204 D C -2.159 173.747 176.300 -0.658 0.000 1.114 204 D CA -0.727 52.935 54.000 -0.562 0.000 0.842 204 D CB 0.058 40.457 40.800 -0.668 0.000 1.133 204 D HN 0.185 nan 8.370 nan 0.000 0.506 205 P HA 0.046 nan 4.420 nan 0.000 0.268 205 P C -0.517 176.346 177.300 -0.729 0.000 1.208 205 P CA 0.040 62.630 63.100 -0.850 0.000 0.777 205 P CB 0.196 31.558 31.700 -0.564 0.000 0.875 206 F N 1.926 121.632 119.950 -0.407 0.000 2.573 206 F HA 0.544 5.071 4.527 -0.001 0.000 0.349 206 F C 1.415 177.120 175.800 -0.157 0.000 1.213 206 F CA -0.668 57.044 58.000 -0.479 0.000 1.300 206 F CB -1.131 37.703 39.000 -0.276 0.000 1.661 206 F HN 0.502 nan 8.300 nan 0.000 0.616 207 G N 1.100 109.622 108.800 -0.464 0.000 2.619 207 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.686 207 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.686 207 G C -1.499 173.024 174.900 -0.629 0.000 1.256 207 G CA -1.172 43.744 45.100 -0.307 0.000 0.826 207 G HN 0.586 nan 8.290 nan 0.000 0.619 208 H N -0.536 118.234 119.070 -0.500 0.000 2.717 208 H HA 0.741 5.297 4.556 -0.001 0.000 0.366 208 H C -0.362 174.863 175.328 -0.172 0.000 1.132 208 H CA 0.028 55.977 56.048 -0.166 0.000 1.180 208 H CB 2.031 31.844 29.762 0.086 0.000 1.678 208 H HN 0.675 nan 8.280 nan 0.000 0.537 209 S N 2.483 118.327 115.700 0.240 0.000 2.501 209 S HA 0.260 4.729 4.470 -0.001 0.000 0.301 209 S C -1.763 172.868 174.600 0.052 0.000 1.096 209 S CA -1.800 56.549 58.200 0.249 0.000 1.063 209 S CB 1.309 64.696 63.200 0.312 0.000 1.042 209 S HN 0.444 nan 8.310 nan 0.000 0.494 210 P HA 0.009 nan 4.420 nan 0.000 0.234 210 P C 1.096 178.148 177.300 -0.414 0.000 1.167 210 P CA 0.764 63.490 63.100 -0.624 0.000 0.763 210 P CB -0.280 31.202 31.700 -0.364 0.000 0.835 211 T N -0.378 114.064 114.554 -0.187 0.000 2.803 211 T HA -0.150 4.199 4.350 -0.001 0.000 0.269 211 T C 1.733 176.385 174.700 -0.080 0.000 1.052 211 T CA 1.355 63.384 62.100 -0.118 0.000 1.136 211 T CB -0.485 68.351 68.868 -0.054 0.000 0.864 211 T HN 0.031 nan 8.240 nan 0.000 0.467 212 M N 1.890 121.404 119.600 -0.143 0.000 2.059 212 M HA 0.014 4.494 4.480 -0.001 0.000 0.259 212 M C -1.070 175.095 176.300 -0.225 0.000 1.072 212 M CA 1.334 56.548 55.300 -0.144 0.000 1.117 212 M CB -1.114 31.428 32.600 -0.097 0.000 1.320 212 M HN 0.023 nan 8.290 nan 0.000 0.408 213 P HA -0.204 nan 4.420 nan 0.000 0.218 213 P C 1.444 178.620 177.300 -0.207 0.000 1.148 213 P CA 1.445 64.353 63.100 -0.321 0.000 0.822 213 P CB -0.539 30.872 31.700 -0.482 0.000 0.784 214 Y N 1.077 121.192 120.300 -0.307 0.000 2.097 214 Y HA -0.212 4.338 4.550 -0.001 0.000 0.282 214 Y C 2.412 178.228 175.900 -0.139 0.000 1.152 214 Y CA 1.720 59.701 58.100 -0.198 0.000 1.136 214 Y CB -0.960 37.398 38.460 -0.170 0.000 0.975 214 Y HN -0.235 nan 8.280 nan 0.000 0.498 215 I N -0.431 120.161 120.570 0.036 0.000 2.202 215 I HA -0.311 3.859 4.170 -0.001 0.000 0.242 215 I C 2.293 178.341 176.117 -0.115 0.000 1.091 215 I CA 1.206 62.496 61.300 -0.017 0.000 1.368 215 I CB -0.433 37.615 38.000 0.079 0.000 1.058 215 I HN 0.262 nan 8.210 nan 0.000 0.410 216 L N 0.088 121.194 121.223 -0.196 0.000 2.017 216 L HA -0.234 4.106 4.340 -0.001 0.000 0.208 216 L C 2.705 179.553 176.870 -0.036 0.000 1.073 216 L CA 1.264 55.921 54.840 -0.305 0.000 0.745 216 L CB -0.736 40.954 42.059 -0.614 0.000 0.894 216 L HN 0.349 nan 8.230 nan 0.000 0.432 217 Q N 1.092 120.841 119.800 -0.085 0.000 2.170 217 Q HA -0.203 4.136 4.340 -0.001 0.000 0.203 217 Q C 1.717 177.677 176.000 -0.067 0.000 0.976 217 Q CA 1.514 57.288 55.803 -0.050 0.000 0.858 217 Q CB 0.099 28.780 28.738 -0.096 0.000 0.907 217 Q HN 0.471 nan 8.270 nan 0.000 0.433 218 K N -0.485 119.836 120.400 -0.132 0.000 2.444 218 K HA 0.100 4.420 4.320 -0.001 0.000 0.193 218 K C 0.689 177.254 176.600 -0.059 0.000 1.024 218 K CA 0.165 56.370 56.287 -0.137 0.000 1.077 218 K CB 0.497 32.846 32.500 -0.251 0.000 0.833 218 K HN -0.067 nan 8.250 nan 0.000 0.517 219 S N -0.282 115.436 115.700 0.030 0.000 2.754 219 S HA 0.205 4.675 4.470 -0.001 0.000 0.247 219 S C 0.756 175.458 174.600 0.170 0.000 1.031 219 S CA 0.098 58.363 58.200 0.108 0.000 1.014 219 S CB 1.316 64.619 63.200 0.172 0.000 0.918 219 S HN 0.518 nan 8.310 nan 0.000 0.519 220 G N 1.226 110.080 108.800 0.090 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 -0.019 174.861 174.900 -0.033 0.000 0.979 220 G CA -0.426 44.672 45.100 -0.004 0.000 0.641 220 G HN 0.434 nan 8.290 nan 0.000 0.530 221 F N 0.472 120.382 119.950 -0.067 0.000 2.450 221 F HA 0.554 5.081 4.527 -0.001 0.000 0.339 221 F C 1.611 177.353 175.800 -0.097 0.000 1.146 221 F CA 0.450 58.406 58.000 -0.074 0.000 1.267 221 F CB 1.078 40.038 39.000 -0.067 0.000 1.178 221 F HN -0.044 nan 8.300 nan 0.000 0.585 222 K N 0.436 120.854 120.400 0.030 0.000 2.425 222 K HA 0.228 4.548 4.320 -0.001 0.000 0.201 222 K C -0.659 175.882 176.600 -0.099 0.000 1.128 222 K CA 0.028 56.274 56.287 -0.068 0.000 1.000 222 K CB 0.448 32.860 32.500 -0.146 0.000 0.961 222 K HN 0.562 nan 8.250 nan 0.000 0.555 223 N N 0.346 118.971 118.700 -0.126 0.000 2.484 223 N HA 0.459 5.198 4.740 -0.001 0.000 0.269 223 N C -1.540 173.822 175.510 -0.245 0.000 1.237 223 N CA -0.814 52.002 53.050 -0.391 0.000 0.838 223 N CB 2.041 39.753 38.487 -1.292 0.000 1.593 223 N HN -0.055 nan 8.380 nan 0.000 0.485 224 M N -0.173 119.292 119.600 -0.224 0.000 2.520 224 M HA 0.623 5.102 4.480 -0.001 0.000 0.283 224 M C -2.064 174.297 176.300 0.101 0.000 1.237 224 M CA -0.945 54.345 55.300 -0.016 0.000 0.885 224 M CB 2.452 35.035 32.600 -0.027 0.000 1.727 224 M HN 0.501 nan 8.290 nan 0.000 0.468 225 L N 3.918 125.225 121.223 0.139 0.000 2.386 225 L HA 0.869 5.208 4.340 -0.001 0.000 0.271 225 L C -1.410 175.349 176.870 -0.186 0.000 0.993 225 L CA -0.748 54.135 54.840 0.072 0.000 0.819 225 L CB 1.911 44.061 42.059 0.153 0.000 1.294 225 L HN 0.942 nan 8.230 nan 0.000 0.414 226 I N 0.982 121.355 120.570 -0.327 0.000 3.042 226 I HA 0.609 4.778 4.170 -0.001 0.000 0.310 226 I C -0.645 175.182 176.117 -0.484 0.000 1.117 226 I CA -0.579 60.343 61.300 -0.630 0.000 1.003 226 I CB 2.248 39.602 38.000 -1.075 0.000 1.228 226 I HN 0.730 nan 8.210 nan 0.000 0.443 227 Q N 2.181 121.755 119.800 -0.376 0.000 2.563 227 Q HA 0.336 4.675 4.340 -0.001 0.000 0.236 227 Q C 0.067 175.969 176.000 -0.164 0.000 0.792 227 Q CA 0.433 56.093 55.803 -0.238 0.000 0.960 227 Q CB 0.626 29.215 28.738 -0.248 0.000 1.304 227 Q HN 0.656 nan 8.270 nan 0.000 0.566 228 R N 2.067 122.491 120.500 -0.127 0.000 2.608 228 R HA 0.321 4.660 4.340 -0.001 0.000 0.277 228 R C -0.693 175.368 176.300 -0.397 0.000 1.341 228 R CA 0.516 56.288 56.100 -0.547 0.000 1.199 228 R CB 0.244 29.851 30.300 -1.156 0.000 1.156 228 R HN 0.380 nan 8.270 nan 0.000 0.558 229 T N -2.402 112.138 114.554 -0.023 0.000 2.908 229 T HA 0.134 4.484 4.350 -0.001 0.000 0.290 229 T C 0.035 174.992 174.700 0.428 0.000 1.034 229 T CA -0.882 61.323 62.100 0.175 0.000 1.010 229 T CB 1.807 70.606 68.868 -0.115 0.000 1.068 229 T HN 0.420 nan 8.240 nan 0.000 0.481 230 H N 2.083 121.364 119.070 0.352 0.000 3.115 230 H HA -0.052 4.504 4.556 -0.001 0.000 0.324 230 H C 1.072 176.452 175.328 0.086 0.000 1.007 230 H CA 0.548 56.695 56.048 0.165 0.000 1.385 230 H CB 0.339 30.224 29.762 0.204 0.000 1.351 230 H HN 0.936 nan 8.280 nan 0.000 0.592 231 Y N 2.360 122.757 120.300 0.162 0.000 2.256 231 Y HA -0.185 4.365 4.550 -0.001 0.000 0.288 231 Y C 2.182 178.244 175.900 0.270 0.000 1.155 231 Y CA 1.018 59.244 58.100 0.209 0.000 1.203 231 Y CB -0.662 37.858 38.460 0.099 0.000 0.980 231 Y HN 0.296 nan 8.280 nan 0.000 0.530 232 S N 0.328 116.064 115.700 0.060 0.000 2.406 232 S HA -0.114 4.355 4.470 -0.001 0.000 0.228 232 S C 2.090 176.607 174.600 -0.139 0.000 1.020 232 S CA 1.128 59.257 58.200 -0.119 0.000 0.965 232 S CB -0.549 62.363 63.200 -0.479 0.000 0.798 232 S HN 0.372 nan 8.310 nan 0.000 0.488 233 V N 2.062 121.953 119.914 -0.039 0.000 2.307 233 V HA -0.192 3.927 4.120 -0.001 0.000 0.245 233 V C 2.252 178.379 176.094 0.055 0.000 1.045 233 V CA 1.626 63.937 62.300 0.017 0.000 1.024 233 V CB -0.550 31.384 31.823 0.184 0.000 0.651 233 V HN 0.413 nan 8.190 nan 0.000 0.449 234 K N 0.138 120.612 120.400 0.123 0.000 2.044 234 K HA -0.276 4.043 4.320 -0.001 0.000 0.210 234 K C 2.282 179.008 176.600 0.210 0.000 1.049 234 K CA 2.015 58.394 56.287 0.153 0.000 0.927 234 K CB -0.276 32.372 32.500 0.247 0.000 0.713 234 K HN 0.358 nan 8.250 nan 0.000 0.443 235 K N 1.109 121.633 120.400 0.207 0.000 2.026 235 K HA -0.240 4.079 4.320 -0.001 0.000 0.208 235 K C 2.163 178.850 176.600 0.145 0.000 1.048 235 K CA 1.805 58.220 56.287 0.214 0.000 0.929 235 K CB 0.024 32.581 32.500 0.094 0.000 0.713 235 K HN -0.002 nan 8.250 nan 0.000 0.439 236 E N 0.808 121.016 120.200 0.014 0.000 2.051 236 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 236 E C 1.941 178.531 176.600 -0.016 0.000 0.991 236 E CA 1.392 57.760 56.400 -0.053 0.000 0.799 236 E CB -0.163 29.458 29.700 -0.132 0.000 0.748 236 E HN 0.340 nan 8.360 nan 0.000 0.449 237 L N -0.180 121.044 121.223 0.002 0.000 2.093 237 L HA -0.057 4.282 4.340 -0.001 0.000 0.208 237 L C 2.518 179.405 176.870 0.030 0.000 1.085 237 L CA 0.891 55.727 54.840 -0.007 0.000 0.755 237 L CB -0.600 41.441 42.059 -0.031 0.000 0.904 237 L HN 0.213 nan 8.230 nan 0.000 0.435 238 A N -0.186 122.702 122.820 0.112 0.000 1.902 238 A HA -0.260 4.059 4.320 -0.001 0.000 0.217 238 A C 2.214 179.975 177.584 0.296 0.000 1.181 238 A CA 1.566 53.725 52.037 0.203 0.000 0.623 238 A CB -0.477 18.786 19.000 0.438 0.000 0.818 238 A HN 0.466 nan 8.150 nan 0.000 0.443 239 Q N -1.028 118.901 119.800 0.214 0.000 2.226 239 Q HA -0.152 4.188 4.340 -0.001 0.000 0.204 239 Q C 1.352 177.345 176.000 -0.011 0.000 0.975 239 Q CA 1.273 57.059 55.803 -0.028 0.000 0.866 239 Q CB -0.021 28.565 28.738 -0.254 0.000 0.915 239 Q HN 0.599 nan 8.270 nan 0.000 0.440 240 Q N -0.219 119.585 119.800 0.006 0.000 2.247 240 Q HA 0.139 4.479 4.340 -0.001 0.000 0.204 240 Q C -0.427 175.589 176.000 0.026 0.000 0.872 240 Q CA -0.017 55.786 55.803 -0.001 0.000 0.951 240 Q CB 0.655 29.382 28.738 -0.018 0.000 1.099 240 Q HN 0.276 nan 8.270 nan 0.000 0.501 241 R N 0.865 121.385 120.500 0.035 0.000 3.322 241 R HA -0.214 4.125 4.340 -0.001 0.000 0.253 241 R C -0.152 176.178 176.300 0.050 0.000 0.987 241 R CA 0.470 56.581 56.100 0.018 0.000 0.666 241 R CB -1.923 28.413 30.300 0.060 0.000 1.072 241 R HN 0.389 nan 8.270 nan 0.000 0.447 242 Q N 0.075 119.894 119.800 0.032 0.000 2.186 242 Q HA 0.193 4.533 4.340 -0.001 0.000 0.241 242 Q C 1.184 177.260 176.000 0.127 0.000 0.849 242 Q CA -0.229 55.626 55.803 0.088 0.000 1.053 242 Q CB 0.537 29.292 28.738 0.029 0.000 1.146 242 Q HN 0.444 nan 8.270 nan 0.000 0.475 243 L N 0.042 121.276 121.223 0.018 0.000 2.418 243 L HA 0.049 4.388 4.340 -0.001 0.000 0.218 243 L C 0.329 177.192 176.870 -0.011 0.000 1.125 243 L CA 0.919 55.743 54.840 -0.026 0.000 0.835 243 L CB 0.314 42.173 42.059 -0.334 0.000 0.953 243 L HN 0.184 nan 8.230 nan 0.000 0.454 244 E N 0.232 120.469 120.200 0.062 0.000 2.158 244 E HA 0.520 4.869 4.350 -0.001 0.000 0.271 244 E C -1.213 175.314 176.600 -0.121 0.000 0.911 244 E CA -0.533 55.716 56.400 -0.252 0.000 0.767 244 E CB 1.490 31.177 29.700 -0.023 0.000 1.120 244 E HN 0.006 nan 8.360 nan 0.000 0.405 245 F N -0.269 119.431 119.950 -0.416 0.000 2.668 245 F HA 0.463 4.989 4.527 -0.001 0.000 0.309 245 F C -1.536 174.156 175.800 -0.180 0.000 1.117 245 F CA -1.398 56.501 58.000 -0.169 0.000 0.951 245 F CB 0.755 39.687 39.000 -0.113 0.000 1.323 245 F HN 0.153 nan 8.300 nan 0.000 0.451 246 L N 2.698 124.078 121.223 0.262 0.000 2.282 246 L HA 0.167 4.507 4.340 -0.001 0.000 0.287 246 L C -1.047 176.050 176.870 0.379 0.000 1.075 246 L CA -0.195 54.795 54.840 0.251 0.000 0.839 246 L CB 0.408 42.615 42.059 0.247 0.000 1.219 246 L HN 0.580 nan 8.230 nan 0.000 0.434 247 W N 6.784 128.193 121.300 0.181 0.000 2.387 247 W HA 0.329 4.989 4.660 -0.001 0.000 0.310 247 W C 0.260 176.805 176.519 0.045 0.000 1.181 247 W CA -1.280 56.188 57.345 0.206 0.000 1.333 247 W CB 0.438 30.062 29.460 0.273 0.000 1.286 247 W HN 0.512 nan 8.180 nan 0.000 0.455 248 R N 3.780 124.452 120.500 0.287 0.000 2.758 248 R HA 0.533 4.873 4.340 -0.001 0.000 0.265 248 R C -0.071 176.137 176.300 -0.154 0.000 1.016 248 R CA -0.906 55.192 56.100 -0.003 0.000 1.040 248 R CB 1.100 31.383 30.300 -0.027 0.000 1.152 248 R HN 0.240 nan 8.270 nan 0.000 0.503 249 Q N 1.418 120.974 119.800 -0.407 0.000 2.421 249 Q HA 0.049 4.389 4.340 -0.001 0.000 0.255 249 Q C 1.471 177.070 176.000 -0.668 0.000 1.013 249 Q CA 0.124 55.479 55.803 -0.746 0.000 0.895 249 Q CB 0.791 28.629 28.738 -1.500 0.000 1.271 249 Q HN 0.851 nan 8.270 nan 0.000 0.460 250 I N -2.035 118.238 120.570 -0.494 0.000 2.567 250 I HA -0.160 4.009 4.170 -0.001 0.000 0.257 250 I C 1.312 177.366 176.117 -0.104 0.000 1.184 250 I CA 1.321 62.504 61.300 -0.195 0.000 1.451 250 I CB -0.364 37.622 38.000 -0.024 0.000 1.089 250 I HN 0.678 nan 8.210 nan 0.000 0.441 251 W N 1.323 122.681 121.300 0.096 0.000 3.278 251 W HA 0.363 5.022 4.660 -0.001 0.000 0.308 251 W C 0.241 176.836 176.519 0.127 0.000 1.253 251 W CA -0.646 56.816 57.345 0.195 0.000 1.759 251 W CB -0.685 28.978 29.460 0.338 0.000 1.093 251 W HN -0.061 nan 8.180 nan 0.000 0.648 252 D N 1.890 122.064 120.400 -0.377 0.000 2.393 252 D HA -0.022 4.617 4.640 -0.001 0.000 0.232 252 D C 1.003 177.285 176.300 -0.031 0.000 1.192 252 D CA 0.165 54.059 54.000 -0.177 0.000 0.882 252 D CB 0.338 40.933 40.800 -0.342 0.000 1.038 252 D HN 0.089 nan 8.370 nan 0.000 0.499 253 N N 3.764 122.505 118.700 0.068 0.000 2.216 253 N HA -0.131 4.609 4.740 -0.001 0.000 0.183 253 N C 1.431 176.963 175.510 0.036 0.000 1.017 253 N CA 1.134 54.216 53.050 0.052 0.000 0.861 253 N CB 0.153 38.691 38.487 0.085 0.000 0.986 253 N HN 0.327 nan 8.380 nan 0.000 0.428 254 K N -1.273 119.154 120.400 0.044 0.000 2.137 254 K HA 0.072 4.391 4.320 -0.001 0.000 0.202 254 K C 0.540 177.155 176.600 0.026 0.000 1.052 254 K CA 0.946 57.255 56.287 0.036 0.000 0.961 254 K CB 0.046 32.572 32.500 0.044 0.000 0.741 254 K HN 0.297 nan 8.250 nan 0.000 0.452 255 G N 1.768 110.576 108.800 0.013 0.000 2.144 255 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.218 255 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.218 255 G C 0.366 175.271 174.900 0.007 0.000 0.988 255 G CA 0.477 45.582 45.100 0.008 0.000 0.659 255 G HN 0.583 nan 8.290 nan 0.000 0.522 256 D N 0.798 121.204 120.400 0.009 0.000 2.221 256 D HA -0.159 4.481 4.640 -0.001 0.000 0.204 256 D C 2.046 178.336 176.300 -0.017 0.000 0.982 256 D CA 1.875 55.878 54.000 0.005 0.000 0.857 256 D CB -0.855 39.956 40.800 0.018 0.000 0.934 256 D HN 0.742 nan 8.370 nan 0.000 0.475 257 T N -2.303 112.231 114.554 -0.034 0.000 3.113 257 T HA 0.377 4.726 4.350 -0.001 0.000 0.256 257 T C 1.069 175.731 174.700 -0.063 0.000 1.131 257 T CA 0.024 62.083 62.100 -0.069 0.000 1.074 257 T CB -0.154 68.656 68.868 -0.097 0.000 0.944 257 T HN 0.311 nan 8.240 nan 0.000 0.516 258 A N 1.401 124.210 122.820 -0.019 0.000 2.511 258 A HA 0.556 4.876 4.320 -0.001 0.000 0.242 258 A C -0.284 177.321 177.584 0.034 0.000 1.069 258 A CA -0.341 51.715 52.037 0.032 0.000 0.763 258 A CB -0.094 18.950 19.000 0.073 0.000 1.001 258 A HN 0.542 nan 8.150 nan 0.000 0.498 259 L N 2.645 123.909 121.223 0.068 0.000 2.409 259 L HA 0.552 4.891 4.340 -0.001 0.000 0.272 259 L C -0.655 176.275 176.870 0.099 0.000 0.980 259 L CA -0.560 54.315 54.840 0.059 0.000 0.826 259 L CB 1.442 43.499 42.059 -0.002 0.000 1.268 259 L HN 0.661 nan 8.230 nan 0.000 0.407 260 F N 3.830 123.744 119.950 -0.060 0.000 2.578 260 F HA 0.369 4.895 4.527 -0.001 0.000 0.381 260 F C 0.050 175.736 175.800 -0.190 0.000 1.069 260 F CA 0.807 58.737 58.000 -0.116 0.000 1.231 260 F CB 0.422 39.370 39.000 -0.087 0.000 1.086 260 F HN 0.559 nan 8.300 nan 0.000 0.564 261 T N 5.420 119.415 114.554 -0.931 0.000 2.848 261 T HA 0.197 4.547 4.350 -0.001 0.000 0.285 261 T C -1.580 172.496 174.700 -1.041 0.000 0.995 261 T CA -0.472 61.146 62.100 -0.804 0.000 0.970 261 T CB 0.876 69.269 68.868 -0.791 0.000 0.976 261 T HN 0.606 nan 8.240 nan 0.000 0.441 262 H N 2.904 121.673 119.070 -0.501 0.000 2.541 262 H HA 0.606 5.162 4.556 -0.001 0.000 0.316 262 H C -0.367 174.784 175.328 -0.295 0.000 1.043 262 H CA -0.738 55.137 56.048 -0.289 0.000 1.232 262 H CB 0.714 30.522 29.762 0.077 0.000 1.406 262 H HN 0.474 nan 8.280 nan 0.000 0.469 263 M N 6.921 126.209 119.600 -0.520 0.000 2.108 263 M HA 0.284 4.763 4.480 -0.001 0.000 0.354 263 M C -0.918 175.144 176.300 -0.398 0.000 1.229 263 M CA -0.549 54.514 55.300 -0.394 0.000 1.081 263 M CB 0.607 33.030 32.600 -0.294 0.000 1.606 263 M HN 0.673 nan 8.290 nan 0.000 0.467 264 M N 6.991 126.449 119.600 -0.236 0.000 2.243 264 M HA 0.197 4.677 4.480 -0.001 0.000 0.341 264 M C -1.582 174.586 176.300 -0.220 0.000 1.130 264 M CA -1.288 53.916 55.300 -0.160 0.000 1.162 264 M CB 0.442 32.969 32.600 -0.122 0.000 1.497 264 M HN 0.472 nan 8.290 nan 0.000 0.456 265 P HA 0.103 nan 4.420 nan 0.000 0.239 265 P C -0.343 176.756 177.300 -0.335 0.000 1.188 265 P CA 0.925 63.712 63.100 -0.521 0.000 0.794 265 P CB 0.337 31.408 31.700 -1.048 0.000 0.937 266 F N -1.945 118.009 119.950 0.006 0.000 2.611 266 F HA 0.300 4.827 4.527 -0.001 0.000 0.374 266 F C 1.976 177.859 175.800 0.139 0.000 1.110 266 F CA -1.423 56.616 58.000 0.064 0.000 1.090 266 F CB -0.858 38.117 39.000 -0.041 0.000 1.388 266 F HN -0.318 nan 8.300 nan 0.000 0.501 267 Y N 0.073 120.513 120.300 0.233 0.000 2.373 267 Y HA 0.124 4.674 4.550 -0.001 0.000 0.293 267 Y C 0.885 176.705 175.900 -0.133 0.000 1.129 267 Y CA 1.299 59.399 58.100 0.001 0.000 1.226 267 Y CB 0.067 38.428 38.460 -0.164 0.000 1.000 267 Y HN 0.355 nan 8.280 nan 0.000 0.549 268 S N -1.729 113.803 115.700 -0.280 0.000 2.651 268 S HA 0.252 4.721 4.470 -0.001 0.000 0.279 268 S C -0.286 174.221 174.600 -0.156 0.000 1.148 268 S CA -0.367 57.568 58.200 -0.443 0.000 0.837 268 S CB 0.307 63.177 63.200 -0.550 0.000 1.138 268 S HN 0.296 nan 8.310 nan 0.000 0.478 269 Y N 0.885 121.135 120.300 -0.084 0.000 2.490 269 Y HA 0.294 4.843 4.550 -0.001 0.000 0.281 269 Y C 0.469 176.446 175.900 0.129 0.000 1.174 269 Y CA -0.472 57.609 58.100 -0.032 0.000 1.295 269 Y CB -0.983 37.372 38.460 -0.175 0.000 1.062 269 Y HN 0.553 nan 8.280 nan 0.000 0.522 270 D N 0.708 121.119 120.400 0.019 0.000 2.371 270 D HA -0.021 4.618 4.640 -0.001 0.000 0.242 270 D C 1.248 177.674 176.300 0.211 0.000 1.218 270 D CA -0.409 53.692 54.000 0.170 0.000 0.945 270 D CB 0.829 41.686 40.800 0.095 0.000 1.137 270 D HN 0.256 nan 8.370 nan 0.000 0.464 271 I N -0.132 120.540 120.570 0.170 0.000 2.226 271 I HA -0.166 4.003 4.170 -0.001 0.000 0.245 271 I C -0.734 175.416 176.117 0.057 0.000 1.100 271 I CA 0.921 62.304 61.300 0.138 0.000 1.374 271 I CB -1.218 36.852 38.000 0.116 0.000 1.057 271 I HN 0.350 nan 8.210 nan 0.000 0.413 272 P HA -0.163 nan 4.420 nan 0.000 0.219 272 P C 0.611 177.607 177.300 -0.507 0.000 1.146 272 P CA 1.621 64.541 63.100 -0.299 0.000 0.808 272 P CB -0.110 31.405 31.700 -0.308 0.000 0.779 273 H N -3.004 116.060 119.070 -0.010 0.000 2.486 273 H HA 0.218 4.774 4.556 -0.001 0.000 0.284 273 H C 0.942 176.357 175.328 0.145 0.000 1.103 273 H CA 0.609 56.662 56.048 0.008 0.000 1.089 273 H CB -0.221 29.610 29.762 0.116 0.000 1.603 273 H HN 0.115 nan 8.280 nan 0.000 0.557 274 T N -4.307 110.355 114.554 0.180 0.000 2.986 274 T HA -0.027 4.322 4.350 -0.001 0.000 0.264 274 T C 1.816 176.631 174.700 0.192 0.000 0.964 274 T CA 0.362 62.596 62.100 0.223 0.000 0.895 274 T CB -0.689 68.303 68.868 0.207 0.000 1.163 274 T HN 0.503 nan 8.240 nan 0.000 0.517 275 c N 1.599 120.282 118.600 0.137 0.000 2.495 275 c HA 0.707 5.277 4.570 -0.001 0.000 0.275 275 c C 1.348 175.550 174.090 0.187 0.000 1.392 275 c CA 0.431 56.879 56.329 0.198 0.000 1.766 275 c CB -1.135 41.452 42.510 0.129 0.000 1.933 275 c HN 0.899 nan 8.230 nan 0.000 0.519 276 G N -0.328 108.502 108.800 0.050 0.000 2.324 276 G HA2 0.367 4.327 3.960 -0.001 0.000 0.293 276 G HA3 0.367 4.327 3.960 -0.001 0.000 0.293 276 G C -2.721 171.776 174.900 -0.671 0.000 1.297 276 G CA 0.225 45.282 45.100 -0.072 0.000 0.853 276 G HN -0.098 nan 8.290 nan 0.000 0.535 277 P HA 0.099 nan 4.420 nan 0.000 0.229 277 P C -0.113 176.775 177.300 -0.687 0.000 1.160 277 P CA 1.027 63.444 63.100 -1.138 0.000 0.777 277 P CB 0.375 31.733 31.700 -0.570 0.000 0.814 278 D N 0.936 121.046 120.400 -0.483 0.000 2.454 278 D HA 0.141 4.780 4.640 -0.001 0.000 0.225 278 D C -1.508 174.460 176.300 -0.554 0.000 1.081 278 D CA -2.594 51.166 54.000 -0.400 0.000 0.864 278 D CB 1.339 41.986 40.800 -0.255 0.000 1.040 278 D HN 0.000 nan 8.370 nan 0.000 0.517 279 P HA -0.126 nan 4.420 nan 0.000 0.223 279 P C 1.216 177.708 177.300 -1.346 0.000 1.151 279 P CA 0.622 62.997 63.100 -1.208 0.000 0.787 279 P CB 0.496 31.208 31.700 -1.646 0.000 0.788 280 K N 0.366 120.112 120.400 -1.090 0.000 2.147 280 K HA -0.066 4.254 4.320 -0.001 0.000 0.205 280 K C 1.766 178.178 176.600 -0.314 0.000 1.049 280 K CA 1.087 57.023 56.287 -0.584 0.000 0.936 280 K CB -0.232 32.114 32.500 -0.256 0.000 0.722 280 K HN -0.069 nan 8.250 nan 0.000 0.446 281 V N 0.438 120.175 119.914 -0.294 0.000 2.331 281 V HA -0.238 3.882 4.120 -0.001 0.000 0.242 281 V C 2.425 178.484 176.094 -0.059 0.000 1.034 281 V CA 1.419 63.638 62.300 -0.134 0.000 1.027 281 V CB -0.358 31.404 31.823 -0.102 0.000 0.667 281 V HN 0.476 nan 8.190 nan 0.000 0.457 282 c N -0.660 117.833 118.600 -0.178 0.000 2.422 282 c HA -0.200 4.369 4.570 -0.001 0.000 0.279 282 c C 2.994 177.047 174.090 -0.062 0.000 1.305 282 c CA 0.789 57.071 56.329 -0.078 0.000 1.757 282 c CB -1.494 40.894 42.510 -0.203 0.000 1.962 282 c HN 0.766 nan 8.230 nan 0.000 0.499 283 c N 0.846 119.322 118.600 -0.207 0.000 2.410 283 c HA -0.155 4.415 4.570 -0.001 0.000 0.281 283 c C 2.625 176.608 174.090 -0.177 0.000 1.318 283 c CA 1.263 57.519 56.329 -0.122 0.000 1.776 283 c CB -1.468 41.039 42.510 -0.004 0.000 1.942 283 c HN 0.641 nan 8.230 nan 0.000 0.508 284 Q N -1.356 118.289 119.800 -0.257 0.000 2.488 284 Q HA -0.029 4.311 4.340 -0.001 0.000 0.211 284 Q C 0.706 176.068 176.000 -1.062 0.000 0.967 284 Q CA 1.042 56.510 55.803 -0.558 0.000 0.926 284 Q CB -0.034 28.358 28.738 -0.576 0.000 0.992 284 Q HN 0.753 nan 8.270 nan 0.000 0.506 285 F N -0.298 119.364 119.950 -0.479 0.000 2.668 285 F HA 0.166 4.693 4.527 -0.001 0.000 0.301 285 F C 0.213 175.748 175.800 -0.441 0.000 1.106 285 F CA -0.580 57.048 58.000 -0.621 0.000 1.289 285 F CB 0.758 39.626 39.000 -0.220 0.000 1.006 285 F HN -0.148 nan 8.300 nan 0.000 0.535 286 D N 0.075 120.268 120.400 -0.344 0.000 2.467 286 D HA 0.136 4.776 4.640 -0.001 0.000 0.220 286 D C 0.475 176.605 176.300 -0.284 0.000 1.103 286 D CA -0.336 53.568 54.000 -0.160 0.000 0.886 286 D CB 0.123 40.882 40.800 -0.068 0.000 1.025 286 D HN 0.084 nan 8.370 nan 0.000 0.514 287 F N 1.762 121.716 119.950 0.007 0.000 2.802 287 F HA 0.104 4.631 4.527 -0.001 0.000 0.300 287 F C 2.322 178.070 175.800 -0.085 0.000 1.168 287 F CA 0.282 58.261 58.000 -0.035 0.000 1.433 287 F CB 0.082 39.082 39.000 -0.000 0.000 1.115 287 F HN 0.261 nan 8.300 nan 0.000 0.582 288 K N 0.619 120.959 120.400 -0.100 0.000 2.525 288 K HA 0.039 4.359 4.320 -0.001 0.000 0.192 288 K C 1.138 177.707 176.600 -0.052 0.000 1.029 288 K CA 0.326 56.425 56.287 -0.313 0.000 1.029 288 K CB 0.113 32.289 32.500 -0.540 0.000 0.814 288 K HN 0.204 nan 8.250 nan 0.000 0.503 289 R N -0.101 120.391 120.500 -0.013 0.000 2.515 289 R HA 0.205 4.544 4.340 -0.001 0.000 0.294 289 R C 1.023 177.347 176.300 0.041 0.000 1.021 289 R CA -0.175 55.937 56.100 0.019 0.000 1.081 289 R CB 0.266 30.555 30.300 -0.019 0.000 1.263 289 R HN 0.180 nan 8.270 nan 0.000 0.557 290 M N -1.140 118.518 119.600 0.096 0.000 2.541 290 M HA 0.143 4.622 4.480 -0.001 0.000 0.252 290 M C 1.219 177.558 176.300 0.065 0.000 1.125 290 M CA 1.049 56.391 55.300 0.071 0.000 1.091 290 M CB 0.774 33.429 32.600 0.091 0.000 1.420 290 M HN 0.488 nan 8.290 nan 0.000 0.486 291 G N -0.273 108.584 108.800 0.094 0.000 3.288 291 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.195 291 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.195 291 G C 0.996 175.912 174.900 0.026 0.000 1.093 291 G CA 0.244 45.374 45.100 0.050 0.000 0.852 291 G HN 0.398 nan 8.290 nan 0.000 0.453 292 S N 0.305 115.989 115.700 -0.027 0.000 2.474 292 S HA 0.181 4.651 4.470 -0.001 0.000 0.235 292 S C 1.746 176.173 174.600 -0.288 0.000 0.997 292 S CA 1.509 59.594 58.200 -0.190 0.000 0.949 292 S CB -0.447 62.563 63.200 -0.317 0.000 0.766 292 S HN 0.342 nan 8.310 nan 0.000 0.517 293 F N 1.868 121.815 119.950 -0.005 0.000 2.765 293 F HA 0.423 4.949 4.527 -0.001 0.000 0.302 293 F C 1.900 177.697 175.800 -0.005 0.000 1.111 293 F CA -0.027 57.969 58.000 -0.008 0.000 1.359 293 F CB -0.217 38.775 39.000 -0.013 0.000 1.097 293 F HN 0.365 nan 8.300 nan 0.000 0.577 294 G N 1.135 110.008 108.800 0.122 0.000 2.160 294 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.251 294 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.251 294 G C -0.123 174.826 174.900 0.082 0.000 1.008 294 G CA 0.044 45.190 45.100 0.077 0.000 0.724 294 G HN 0.310 nan 8.290 nan 0.000 0.514 295 L N 0.161 121.446 121.223 0.103 0.000 2.341 295 L HA 0.864 5.203 4.340 -0.001 0.000 0.267 295 L C 0.504 177.406 176.870 0.054 0.000 1.009 295 L CA -0.383 54.500 54.840 0.073 0.000 0.819 295 L CB 2.337 44.436 42.059 0.067 0.000 1.323 295 L HN 0.456 nan 8.230 nan 0.000 0.425 296 S N -0.587 115.134 115.700 0.034 0.000 2.671 296 S HA 0.545 5.015 4.470 -0.001 0.000 0.277 296 S C -1.244 173.372 174.600 0.027 0.000 1.165 296 S CA -0.795 57.418 58.200 0.021 0.000 0.822 296 S CB 1.670 64.873 63.200 0.005 0.000 1.150 296 S HN 0.528 nan 8.310 nan 0.000 0.479 297 c N 2.932 121.554 118.600 0.035 0.000 2.255 297 c HA 0.558 5.128 4.570 -0.001 0.000 0.326 297 c C -1.146 172.947 174.090 0.004 0.000 1.258 297 c CA -1.171 55.221 56.329 0.105 0.000 1.676 297 c CB 0.798 43.402 42.510 0.156 0.000 2.314 297 c HN 0.768 nan 8.230 nan 0.000 0.509 298 P HA -0.086 nan 4.420 nan 0.000 0.225 298 P C 1.158 178.186 177.300 -0.452 0.000 1.148 298 P CA 1.276 64.111 63.100 -0.442 0.000 0.779 298 P CB 0.052 31.302 31.700 -0.750 0.000 0.780 299 W N 0.349 121.627 121.300 -0.037 0.000 3.180 299 W HA 0.162 4.822 4.660 -0.001 0.000 0.254 299 W C 0.656 177.148 176.519 -0.044 0.000 1.318 299 W CA 0.147 57.466 57.345 -0.044 0.000 1.608 299 W CB -0.530 28.895 29.460 -0.058 0.000 1.124 299 W HN 0.130 nan 8.180 nan 0.000 0.694 300 K N -1.060 119.399 120.400 0.098 0.000 3.467 300 K HA -0.171 4.148 4.320 -0.001 0.000 0.309 300 K C -0.438 176.185 176.600 0.038 0.000 1.350 300 K CA 0.467 56.777 56.287 0.039 0.000 0.934 300 K CB -1.941 30.568 32.500 0.015 0.000 1.312 300 K HN -0.117 nan 8.250 nan 0.000 0.461 301 V N 1.769 121.717 119.914 0.056 0.000 2.378 301 V HA 0.347 4.467 4.120 -0.001 0.000 0.288 301 V C -1.819 174.260 176.094 -0.025 0.000 1.016 301 V CA -1.535 60.767 62.300 0.004 0.000 0.840 301 V CB 1.422 33.238 31.823 -0.011 0.000 0.994 301 V HN -0.033 nan 8.190 nan 0.000 0.431 302 P HA 0.451 nan 4.420 nan 0.000 0.278 302 P C -2.858 174.349 177.300 -0.155 0.000 1.258 302 P CA -2.154 60.902 63.100 -0.073 0.000 0.811 302 P CB 0.375 32.047 31.700 -0.047 0.000 1.063 303 P HA 0.281 nan 4.420 nan 0.000 0.272 303 P C -0.347 176.849 177.300 -0.174 0.000 1.223 303 P CA 0.073 62.966 63.100 -0.344 0.000 0.784 303 P CB 0.590 32.020 31.700 -0.450 0.000 0.923 304 R N 0.273 120.680 120.500 -0.154 0.000 2.621 304 R HA 0.409 4.748 4.340 -0.001 0.000 0.292 304 R C -0.341 176.012 176.300 0.089 0.000 0.969 304 R CA -0.673 55.408 56.100 -0.030 0.000 0.887 304 R CB 1.329 31.590 30.300 -0.064 0.000 1.180 304 R HN 0.359 nan 8.270 nan 0.000 0.450 305 T N 3.925 118.528 114.554 0.083 0.000 2.905 305 T HA 0.013 4.363 4.350 -0.001 0.000 0.299 305 T C 0.748 175.441 174.700 -0.012 0.000 1.024 305 T CA 0.176 62.301 62.100 0.042 0.000 1.151 305 T CB 0.113 68.985 68.868 0.007 0.000 0.987 305 T HN 0.194 nan 8.240 nan 0.000 0.535 306 I N 4.037 124.557 120.570 -0.084 0.000 2.496 306 I HA 0.231 4.401 4.170 -0.001 0.000 0.285 306 I C 1.002 177.070 176.117 -0.081 0.000 1.080 306 I CA 0.077 61.322 61.300 -0.091 0.000 1.404 306 I CB 0.144 38.050 38.000 -0.156 0.000 1.403 306 I HN 0.764 nan 8.210 nan 0.000 0.539 307 S N 3.869 119.532 115.700 -0.062 0.000 2.667 307 S HA 0.442 4.911 4.470 -0.001 0.000 0.292 307 S C 0.380 174.950 174.600 -0.051 0.000 1.126 307 S CA -0.748 57.423 58.200 -0.048 0.000 0.881 307 S CB 2.165 65.344 63.200 -0.035 0.000 1.132 307 S HN 0.497 nan 8.310 nan 0.000 0.492 308 D N 0.697 121.077 120.400 -0.033 0.000 2.218 308 D HA -0.052 4.588 4.640 -0.001 0.000 0.204 308 D C 1.517 177.795 176.300 -0.037 0.000 0.976 308 D CA 1.426 55.409 54.000 -0.028 0.000 0.853 308 D CB -0.207 40.590 40.800 -0.005 0.000 0.939 308 D HN 0.550 nan 8.370 nan 0.000 0.481 309 Q N -0.034 119.746 119.800 -0.032 0.000 2.389 309 Q HA 0.005 4.344 4.340 -0.001 0.000 0.204 309 Q C 1.185 177.162 176.000 -0.039 0.000 0.944 309 Q CA 0.680 56.465 55.803 -0.028 0.000 0.908 309 Q CB 0.002 28.728 28.738 -0.019 0.000 1.002 309 Q HN 0.360 nan 8.270 nan 0.000 0.493 310 N N -1.773 116.895 118.700 -0.053 0.000 2.181 310 N HA -0.014 4.726 4.740 -0.001 0.000 0.207 310 N C 1.062 176.521 175.510 -0.085 0.000 1.182 310 N CA 0.125 53.143 53.050 -0.054 0.000 0.893 310 N CB -0.242 38.219 38.487 -0.043 0.000 1.032 310 N HN 0.045 nan 8.380 nan 0.000 0.513 311 V N 0.500 120.329 119.914 -0.142 0.000 2.427 311 V HA -0.031 4.089 4.120 -0.001 0.000 0.248 311 V C 2.242 178.121 176.094 -0.358 0.000 1.051 311 V CA 1.963 64.124 62.300 -0.231 0.000 1.048 311 V CB -0.844 30.818 31.823 -0.269 0.000 0.666 311 V HN 0.427 nan 8.190 nan 0.000 0.456 312 A N -0.082 122.515 122.820 -0.370 0.000 1.877 312 A HA -0.061 4.259 4.320 -0.001 0.000 0.216 312 A C 2.432 180.047 177.584 0.052 0.000 1.186 312 A CA 2.181 54.127 52.037 -0.152 0.000 0.620 312 A CB -1.034 17.978 19.000 0.021 0.000 0.822 312 A HN 0.796 nan 8.150 nan 0.000 0.443 313 A N -0.546 122.284 122.820 0.016 0.000 1.898 313 A HA -0.129 4.190 4.320 -0.001 0.000 0.216 313 A C 2.245 179.863 177.584 0.056 0.000 1.181 313 A CA 1.377 53.441 52.037 0.045 0.000 0.620 313 A CB -0.435 18.575 19.000 0.017 0.000 0.819 313 A HN 0.416 nan 8.150 nan 0.000 0.442 314 R N 0.110 120.634 120.500 0.040 0.000 2.081 314 R HA -0.060 4.279 4.340 -0.001 0.000 0.235 314 R C 2.436 178.781 176.300 0.076 0.000 1.131 314 R CA 1.581 57.757 56.100 0.127 0.000 0.960 314 R CB -1.036 29.335 30.300 0.118 0.000 0.856 314 R HN 0.536 nan 8.270 nan 0.000 0.436 315 S N 1.275 116.968 115.700 -0.012 0.000 2.368 315 S HA -0.159 4.310 4.470 -0.001 0.000 0.225 315 S C 1.507 176.000 174.600 -0.178 0.000 1.030 315 S CA 1.507 59.619 58.200 -0.146 0.000 0.999 315 S CB -0.320 62.927 63.200 0.077 0.000 0.844 315 S HN 0.290 nan 8.310 nan 0.000 0.459 316 D N 1.275 121.756 120.400 0.136 0.000 2.104 316 D HA -0.075 4.565 4.640 -0.001 0.000 0.194 316 D C 1.824 178.131 176.300 0.012 0.000 0.994 316 D CA 0.958 55.084 54.000 0.209 0.000 0.830 316 D CB -0.247 40.702 40.800 0.248 0.000 0.959 316 D HN 0.263 nan 8.370 nan 0.000 0.452 317 L N -0.392 120.814 121.223 -0.027 0.000 2.017 317 L HA -0.148 4.191 4.340 -0.001 0.000 0.208 317 L C 2.331 179.028 176.870 -0.287 0.000 1.073 317 L CA 0.538 55.338 54.840 -0.067 0.000 0.745 317 L CB -0.310 41.781 42.059 0.053 0.000 0.894 317 L HN 0.177 nan 8.230 nan 0.000 0.432 318 L N -0.856 120.025 121.223 -0.569 0.000 2.027 318 L HA -0.127 4.213 4.340 -0.001 0.000 0.206 318 L C 2.339 178.529 176.870 -1.133 0.000 1.074 318 L CA 1.571 55.741 54.840 -1.117 0.000 0.745 318 L CB -0.351 40.752 42.059 -1.592 0.000 0.898 318 L HN -0.080 nan 8.230 nan 0.000 0.433 319 V N -0.025 119.336 119.914 -0.923 0.000 2.407 319 V HA -0.312 3.807 4.120 -0.001 0.000 0.248 319 V C 2.310 178.230 176.094 -0.291 0.000 1.055 319 V CA 1.926 63.829 62.300 -0.660 0.000 1.049 319 V CB -0.810 30.560 31.823 -0.755 0.000 0.662 319 V HN 0.589 nan 8.190 nan 0.000 0.455 320 D N -0.716 119.577 120.400 -0.178 0.000 2.104 320 D HA -0.216 4.424 4.640 -0.001 0.000 0.194 320 D C 2.237 178.504 176.300 -0.056 0.000 0.994 320 D CA 1.255 55.255 54.000 -0.000 0.000 0.830 320 D CB -0.025 40.837 40.800 0.103 0.000 0.959 320 D HN 0.294 nan 8.370 nan 0.000 0.452 321 Q N -0.456 119.250 119.800 -0.157 0.000 2.061 321 Q HA -0.155 4.185 4.340 -0.001 0.000 0.204 321 Q C 2.178 178.189 176.000 0.018 0.000 0.984 321 Q CA 1.060 56.794 55.803 -0.116 0.000 0.846 321 Q CB -0.644 27.967 28.738 -0.212 0.000 0.902 321 Q HN 0.564 nan 8.270 nan 0.000 0.421 322 W N 1.408 122.598 121.300 -0.184 0.000 2.358 322 W HA -0.102 4.557 4.660 -0.001 0.000 0.303 322 W C 2.096 178.498 176.519 -0.194 0.000 1.208 322 W CA 0.772 58.010 57.345 -0.178 0.000 1.274 322 W CB -0.662 28.667 29.460 -0.219 0.000 1.138 322 W HN 0.224 nan 8.180 nan 0.000 0.515 323 K N 0.149 120.509 120.400 -0.066 0.000 2.148 323 K HA -0.129 4.190 4.320 -0.001 0.000 0.204 323 K C 1.938 178.370 176.600 -0.279 0.000 1.050 323 K CA 1.176 57.275 56.287 -0.314 0.000 0.942 323 K CB -0.193 31.843 32.500 -0.773 0.000 0.724 323 K HN 0.076 nan 8.250 nan 0.000 0.446 324 K N 1.051 121.364 120.400 -0.145 0.000 2.025 324 K HA -0.150 4.169 4.320 -0.001 0.000 0.207 324 K C 2.105 178.762 176.600 0.096 0.000 1.049 324 K CA 1.230 57.559 56.287 0.071 0.000 0.933 324 K CB -0.029 32.537 32.500 0.110 0.000 0.714 324 K HN 0.009 nan 8.250 nan 0.000 0.438 325 K N 0.835 121.299 120.400 0.107 0.000 2.063 325 K HA -0.166 4.153 4.320 -0.001 0.000 0.208 325 K C 2.059 178.774 176.600 0.192 0.000 1.048 325 K CA 1.416 57.796 56.287 0.155 0.000 0.928 325 K CB -0.133 32.476 32.500 0.182 0.000 0.713 325 K HN 0.163 nan 8.250 nan 0.000 0.442 326 A N 1.156 124.069 122.820 0.154 0.000 2.019 326 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 326 A C 1.737 179.484 177.584 0.271 0.000 1.164 326 A CA 1.340 53.504 52.037 0.211 0.000 0.644 326 A CB -0.334 18.746 19.000 0.133 0.000 0.805 326 A HN 0.317 nan 8.150 nan 0.000 0.449 327 E N 0.074 120.408 120.200 0.223 0.000 2.265 327 E HA -0.110 4.239 4.350 -0.001 0.000 0.196 327 E C 1.635 178.358 176.600 0.205 0.000 0.996 327 E CA 0.706 57.248 56.400 0.237 0.000 0.832 327 E CB -0.262 29.600 29.700 0.270 0.000 0.756 327 E HN 0.727 nan 8.360 nan 0.000 0.491 328 L N -0.595 120.710 121.223 0.135 0.000 2.554 328 L HA 0.020 4.360 4.340 -0.001 0.000 0.226 328 L C 0.248 176.920 176.870 -0.329 0.000 1.137 328 L CA 0.310 55.099 54.840 -0.086 0.000 0.863 328 L CB -0.108 41.782 42.059 -0.282 0.000 0.985 328 L HN 0.002 nan 8.230 nan 0.000 0.451 329 Y N -1.722 118.661 120.300 0.138 0.000 2.633 329 Y HA 0.378 4.927 4.550 -0.001 0.000 0.339 329 Y C 1.092 177.106 175.900 0.191 0.000 1.045 329 Y CA -0.990 57.212 58.100 0.169 0.000 1.098 329 Y CB 1.227 39.796 38.460 0.182 0.000 1.296 329 Y HN -0.291 nan 8.280 nan 0.000 0.494 330 R N -0.565 120.173 120.500 0.397 0.000 2.265 330 R HA 0.093 4.432 4.340 -0.001 0.000 0.194 330 R C 0.340 176.770 176.300 0.216 0.000 0.931 330 R CA 0.731 56.974 56.100 0.239 0.000 1.032 330 R CB 0.310 30.684 30.300 0.124 0.000 0.980 330 R HN 0.746 nan 8.270 nan 0.000 0.497 331 T N -0.789 113.935 114.554 0.284 0.000 2.922 331 T HA 0.097 4.446 4.350 -0.001 0.000 0.281 331 T C 0.662 175.508 174.700 0.243 0.000 1.005 331 T CA -0.938 61.297 62.100 0.224 0.000 0.982 331 T CB 1.241 70.221 68.868 0.186 0.000 1.158 331 T HN 0.081 nan 8.240 nan 0.000 0.566 332 N N 0.154 118.974 118.700 0.200 0.000 2.322 332 N HA 0.120 4.859 4.740 -0.001 0.000 0.216 332 N C -0.675 174.819 175.510 -0.027 0.000 1.144 332 N CA -0.344 52.788 53.050 0.138 0.000 0.830 332 N CB -0.197 38.304 38.487 0.024 0.000 1.034 332 N HN 0.377 nan 8.380 nan 0.000 0.484 333 V N 1.283 121.213 119.914 0.026 0.000 2.409 333 V HA 0.413 4.533 4.120 -0.001 0.000 0.291 333 V C -0.640 175.528 176.094 0.125 0.000 1.020 333 V CA -0.984 61.330 62.300 0.022 0.000 0.848 333 V CB 1.550 33.366 31.823 -0.013 0.000 0.990 333 V HN 0.173 nan 8.190 nan 0.000 0.430 334 L N 5.781 127.021 121.223 0.029 0.000 2.341 334 L HA 0.691 5.031 4.340 -0.001 0.000 0.278 334 L C -0.858 175.884 176.870 -0.213 0.000 1.005 334 L CA -0.480 54.300 54.840 -0.100 0.000 0.818 334 L CB 1.657 43.555 42.059 -0.268 0.000 1.259 334 L HN 0.636 nan 8.230 nan 0.000 0.418 335 L N 6.436 127.333 121.223 -0.544 0.000 2.264 335 L HA 0.551 4.891 4.340 -0.001 0.000 0.289 335 L C -1.020 175.567 176.870 -0.472 0.000 1.044 335 L CA 0.151 54.512 54.840 -0.798 0.000 0.807 335 L CB 0.714 41.822 42.059 -1.586 0.000 1.192 335 L HN 0.442 nan 8.230 nan 0.000 0.425 336 I N 7.460 127.832 120.570 -0.330 0.000 2.502 336 I HA 0.338 4.507 4.170 -0.001 0.000 0.276 336 I C -2.271 173.823 176.117 -0.039 0.000 1.057 336 I CA -2.025 59.171 61.300 -0.174 0.000 1.163 336 I CB 0.988 38.860 38.000 -0.214 0.000 1.288 336 I HN 0.424 nan 8.210 nan 0.000 0.479 337 P HA 0.136 nan 4.420 nan 0.000 0.269 337 P C -0.432 177.041 177.300 0.288 0.000 1.209 337 P CA -0.202 63.025 63.100 0.211 0.000 0.776 337 P CB 0.823 32.688 31.700 0.275 0.000 0.876 338 L N 2.992 124.425 121.223 0.351 0.000 2.454 338 L HA 0.757 5.097 4.340 -0.001 0.000 0.258 338 L C -0.115 176.824 176.870 0.115 0.000 1.025 338 L CA 0.387 55.356 54.840 0.215 0.000 0.901 338 L CB 0.494 42.609 42.059 0.095 0.000 1.210 338 L HN 0.614 nan 8.230 nan 0.000 0.457 339 G N 1.655 110.404 108.800 -0.085 0.000 2.342 339 G HA2 0.484 4.444 3.960 -0.001 0.000 0.297 339 G HA3 0.484 4.444 3.960 -0.001 0.000 0.297 339 G C -2.213 172.567 174.900 -0.200 0.000 1.313 339 G CA -0.262 44.536 45.100 -0.503 0.000 0.830 339 G HN 0.381 nan 8.290 nan 0.000 0.506 340 D N -1.715 118.625 120.400 -0.101 0.000 2.879 340 D HA 0.303 4.943 4.640 -0.001 0.000 0.346 340 D C -1.485 174.936 176.300 0.202 0.000 1.390 340 D CA -0.448 53.677 54.000 0.208 0.000 0.838 340 D CB 1.385 42.270 40.800 0.141 0.000 1.416 340 D HN 0.231 nan 8.370 nan 0.000 0.493 341 D N 0.441 121.026 120.400 0.308 0.000 2.450 341 D HA 0.188 4.827 4.640 -0.001 0.000 0.247 341 D C 0.244 176.694 176.300 0.250 0.000 1.162 341 D CA 0.543 54.708 54.000 0.274 0.000 0.879 341 D CB -0.314 40.752 40.800 0.444 0.000 1.163 341 D HN 0.335 nan 8.370 nan 0.000 0.472 342 F N 0.218 120.215 119.950 0.080 0.000 3.079 342 F HA -0.311 4.215 4.527 -0.001 0.000 0.274 342 F C 1.115 176.950 175.800 0.058 0.000 0.940 342 F CA 0.616 58.647 58.000 0.051 0.000 0.932 342 F CB -0.936 38.082 39.000 0.030 0.000 0.891 342 F HN 0.237 nan 8.300 nan 0.000 0.722 343 R N -0.451 120.130 120.500 0.134 0.000 2.652 343 R HA 0.448 4.787 4.340 -0.001 0.000 0.271 343 R C 0.711 177.044 176.300 0.055 0.000 1.129 343 R CA -0.657 55.414 56.100 -0.048 0.000 1.200 343 R CB -0.096 30.054 30.300 -0.249 0.000 1.146 343 R HN 0.202 nan 8.270 nan 0.000 0.581 344 F N -0.824 118.972 119.950 -0.257 0.000 3.071 344 F HA -0.260 4.266 4.527 -0.001 0.000 0.295 344 F C 1.348 177.135 175.800 -0.023 0.000 0.919 344 F CA 0.998 58.670 58.000 -0.547 0.000 1.050 344 F CB -1.123 37.255 39.000 -1.036 0.000 1.040 344 F HN 0.612 nan 8.300 nan 0.000 0.692 345 K N -0.099 120.372 120.400 0.119 0.000 2.128 345 K HA 0.074 4.394 4.320 -0.001 0.000 0.202 345 K C 0.737 177.490 176.600 0.256 0.000 1.050 345 K CA 0.835 57.259 56.287 0.228 0.000 0.966 345 K CB 0.272 32.872 32.500 0.167 0.000 0.759 345 K HN 0.470 nan 8.250 nan 0.000 0.454 346 Q N 0.224 120.152 119.800 0.213 0.000 2.235 346 Q HA 0.167 4.507 4.340 -0.001 0.000 0.256 346 Q C 0.000 176.194 176.000 0.323 0.000 0.951 346 Q CA -0.368 55.580 55.803 0.242 0.000 0.890 346 Q CB 1.639 30.523 28.738 0.245 0.000 1.279 346 Q HN 0.247 nan 8.270 nan 0.000 0.444 347 N N -0.069 118.812 118.700 0.302 0.000 2.094 347 N HA -0.226 4.513 4.740 -0.001 0.000 0.191 347 N C 1.558 177.227 175.510 0.265 0.000 1.023 347 N CA 2.012 55.267 53.050 0.342 0.000 0.857 347 N CB 0.002 38.706 38.487 0.361 0.000 1.013 347 N HN 0.675 nan 8.380 nan 0.000 0.426 348 T N -1.286 113.425 114.554 0.261 0.000 2.833 348 T HA -0.166 4.184 4.350 -0.001 0.000 0.269 348 T C 1.645 176.533 174.700 0.314 0.000 1.054 348 T CA 1.089 63.357 62.100 0.279 0.000 1.135 348 T CB -0.200 68.823 68.868 0.259 0.000 0.869 348 T HN 0.315 nan 8.240 nan 0.000 0.466 349 E N -0.192 120.142 120.200 0.224 0.000 2.072 349 E HA -0.100 4.249 4.350 -0.001 0.000 0.190 349 E C 1.837 178.352 176.600 -0.142 0.000 0.982 349 E CA 0.758 57.070 56.400 -0.147 0.000 0.803 349 E CB -0.250 29.198 29.700 -0.421 0.000 0.755 349 E HN 0.697 nan 8.360 nan 0.000 0.453 350 W N 1.850 123.063 121.300 -0.146 0.000 2.318 350 W HA -0.212 4.447 4.660 -0.001 0.000 0.313 350 W C 2.152 178.612 176.519 -0.098 0.000 1.221 350 W CA 1.391 58.624 57.345 -0.186 0.000 1.266 350 W CB -0.366 28.599 29.460 -0.824 0.000 1.150 350 W HN 0.192 nan 8.180 nan 0.000 0.496 351 D N -0.560 119.939 120.400 0.166 0.000 2.097 351 D HA -0.176 4.464 4.640 -0.001 0.000 0.195 351 D C 2.282 178.655 176.300 0.122 0.000 0.989 351 D CA 1.528 55.632 54.000 0.173 0.000 0.827 351 D CB -1.008 39.903 40.800 0.185 0.000 0.966 351 D HN 0.028 nan 8.370 nan 0.000 0.456 352 V N 0.925 120.904 119.914 0.109 0.000 2.427 352 V HA -0.208 3.911 4.120 -0.001 0.000 0.248 352 V C 2.237 178.356 176.094 0.042 0.000 1.051 352 V CA 1.558 63.904 62.300 0.077 0.000 1.048 352 V CB -0.073 31.845 31.823 0.158 0.000 0.666 352 V HN 0.159 nan 8.190 nan 0.000 0.456 353 Q N -0.345 119.517 119.800 0.104 0.000 2.049 353 Q HA -0.182 4.158 4.340 -0.001 0.000 0.198 353 Q C 2.347 178.529 176.000 0.305 0.000 0.971 353 Q CA 1.821 57.778 55.803 0.257 0.000 0.833 353 Q CB -0.475 28.396 28.738 0.222 0.000 0.896 353 Q HN 0.607 nan 8.270 nan 0.000 0.434 354 R N 0.525 121.167 120.500 0.237 0.000 2.070 354 R HA -0.106 4.234 4.340 -0.001 0.000 0.233 354 R C 2.246 178.691 176.300 0.242 0.000 1.137 354 R CA 1.392 57.671 56.100 0.298 0.000 0.945 354 R CB -0.093 30.335 30.300 0.214 0.000 0.845 354 R HN 0.060 nan 8.270 nan 0.000 0.430 355 V N 1.999 121.976 119.914 0.105 0.000 2.358 355 V HA -0.233 3.887 4.120 -0.001 0.000 0.246 355 V C 2.022 178.047 176.094 -0.115 0.000 1.047 355 V CA 1.853 64.166 62.300 0.023 0.000 1.035 355 V CB -0.612 31.217 31.823 0.009 0.000 0.658 355 V HN 0.439 nan 8.190 nan 0.000 0.452 356 N N -0.655 117.866 118.700 -0.298 0.000 2.142 356 N HA -0.170 4.570 4.740 -0.001 0.000 0.186 356 N C 1.861 177.047 175.510 -0.540 0.000 1.023 356 N CA 1.663 54.328 53.050 -0.641 0.000 0.852 356 N CB -0.331 37.190 38.487 -1.611 0.000 0.998 356 N HN 0.519 nan 8.380 nan 0.000 0.424 357 Y N 1.982 122.080 120.300 -0.337 0.000 2.242 357 Y HA -0.092 4.457 4.550 -0.001 0.000 0.291 357 Y C 2.389 177.782 175.900 -0.846 0.000 1.137 357 Y CA 1.070 58.855 58.100 -0.525 0.000 1.181 357 Y CB -0.150 38.096 38.460 -0.358 0.000 0.989 357 Y HN 0.138 nan 8.280 nan 0.000 0.527 358 E N -0.206 119.848 120.200 -0.245 0.000 2.085 358 E HA -0.242 4.108 4.350 -0.001 0.000 0.194 358 E C 2.225 178.773 176.600 -0.087 0.000 0.994 358 E CA 1.206 57.547 56.400 -0.099 0.000 0.801 358 E CB -0.162 29.602 29.700 0.107 0.000 0.743 358 E HN 0.466 nan 8.360 nan 0.000 0.453 359 R N 0.325 120.752 120.500 -0.121 0.000 2.092 359 R HA -0.092 4.247 4.340 -0.001 0.000 0.231 359 R C 2.470 178.737 176.300 -0.055 0.000 1.119 359 R CA 0.863 56.921 56.100 -0.070 0.000 0.970 359 R CB -0.267 29.973 30.300 -0.101 0.000 0.864 359 R HN 0.160 nan 8.270 nan 0.000 0.440 360 L N -0.368 120.756 121.223 -0.167 0.000 2.017 360 L HA -0.175 4.164 4.340 -0.001 0.000 0.208 360 L C 2.129 179.042 176.870 0.072 0.000 1.073 360 L CA 1.179 55.955 54.840 -0.106 0.000 0.745 360 L CB -0.424 41.485 42.059 -0.250 0.000 0.894 360 L HN 0.076 nan 8.230 nan 0.000 0.432 361 F N 0.255 120.218 119.950 0.022 0.000 2.134 361 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 361 F C 2.635 178.443 175.800 0.013 0.000 1.097 361 F CA 1.360 59.361 58.000 0.002 0.000 1.264 361 F CB -0.977 37.981 39.000 -0.070 0.000 1.001 361 F HN 0.213 nan 8.300 nan 0.000 0.479 362 E N -0.737 119.591 120.200 0.214 0.000 2.077 362 E HA -0.282 4.067 4.350 -0.001 0.000 0.193 362 E C 2.206 178.892 176.600 0.143 0.000 0.989 362 E CA 1.447 57.934 56.400 0.145 0.000 0.800 362 E CB -0.237 29.531 29.700 0.113 0.000 0.746 362 E HN 0.507 nan 8.360 nan 0.000 0.452 363 H N 0.206 119.323 119.070 0.077 0.000 2.299 363 H HA -0.053 4.502 4.556 -0.001 0.000 0.302 363 H C 2.047 177.454 175.328 0.132 0.000 1.078 363 H CA 2.195 58.299 56.048 0.093 0.000 1.323 363 H CB -0.157 29.656 29.762 0.086 0.000 1.381 363 H HN 0.150 nan 8.280 nan 0.000 0.498 364 I N 0.414 121.069 120.570 0.142 0.000 2.226 364 I HA -0.281 3.889 4.170 -0.001 0.000 0.245 364 I C 1.641 177.791 176.117 0.054 0.000 1.100 364 I CA 1.319 62.669 61.300 0.083 0.000 1.374 364 I CB -0.272 37.721 38.000 -0.012 0.000 1.057 364 I HN 0.364 nan 8.210 nan 0.000 0.413 365 N N 0.253 118.975 118.700 0.037 0.000 2.459 365 N HA -0.106 4.633 4.740 -0.001 0.000 0.181 365 N C 1.832 177.328 175.510 -0.024 0.000 1.046 365 N CA 1.432 54.478 53.050 -0.008 0.000 0.904 365 N CB -0.236 38.238 38.487 -0.021 0.000 0.964 365 N HN 0.399 nan 8.380 nan 0.000 0.444 366 S N -0.950 114.729 115.700 -0.035 0.000 2.535 366 S HA 0.132 4.602 4.470 -0.001 0.000 0.214 366 S C 0.567 175.114 174.600 -0.088 0.000 0.980 366 S CA -0.146 58.024 58.200 -0.050 0.000 0.907 366 S CB 0.274 63.454 63.200 -0.034 0.000 0.790 366 S HN -0.026 nan 8.310 nan 0.000 0.510 367 Q N 1.331 121.051 119.800 -0.134 0.000 2.465 367 Q HA 0.541 4.880 4.340 -0.001 0.000 0.237 367 Q C 0.947 176.817 176.000 -0.216 0.000 1.051 367 Q CA 0.112 55.794 55.803 -0.202 0.000 0.874 367 Q CB 1.189 29.695 28.738 -0.386 0.000 1.207 367 Q HN 0.454 nan 8.270 nan 0.000 0.508 368 A N 2.673 125.431 122.820 -0.104 0.000 1.986 368 A HA -0.272 4.048 4.320 -0.001 0.000 0.220 368 A C 1.638 179.172 177.584 -0.084 0.000 1.171 368 A CA 2.183 54.179 52.037 -0.069 0.000 0.640 368 A CB -0.727 18.256 19.000 -0.027 0.000 0.811 368 A HN 0.896 nan 8.150 nan 0.000 0.451 369 H N -3.311 115.684 119.070 -0.125 0.000 2.457 369 H HA -0.077 4.478 4.556 -0.001 0.000 0.297 369 H C 1.419 176.692 175.328 -0.093 0.000 1.092 369 H CA 1.590 57.550 56.048 -0.146 0.000 1.309 369 H CB -0.589 29.030 29.762 -0.237 0.000 1.382 369 H HN 0.410 nan 8.280 nan 0.000 0.535 370 F N 0.949 120.617 119.950 -0.469 0.000 2.259 370 F HA -0.011 4.515 4.527 -0.001 0.000 0.298 370 F C 0.806 176.555 175.800 -0.085 0.000 1.088 370 F CA 0.811 58.669 58.000 -0.236 0.000 1.358 370 F CB -0.359 38.472 39.000 -0.281 0.000 1.040 370 F HN 0.195 nan 8.300 nan 0.000 0.505 371 N N 0.476 119.226 118.700 0.083 0.000 2.725 371 N HA -0.168 4.571 4.740 -0.001 0.000 0.251 371 N C -1.011 174.488 175.510 -0.019 0.000 1.031 371 N CA 0.468 53.547 53.050 0.049 0.000 0.720 371 N CB -1.536 37.021 38.487 0.116 0.000 0.930 371 N HN 0.038 nan 8.380 nan 0.000 0.543 372 V N 0.620 120.516 119.914 -0.031 0.000 2.735 372 V HA 0.395 4.514 4.120 -0.001 0.000 0.310 372 V C 0.142 176.157 176.094 -0.131 0.000 1.061 372 V CA -0.664 61.567 62.300 -0.114 0.000 0.913 372 V CB 2.466 34.254 31.823 -0.059 0.000 1.005 372 V HN 0.174 nan 8.190 nan 0.000 0.428 373 Q N 3.096 122.762 119.800 -0.224 0.000 2.339 373 Q HA 0.749 5.089 4.340 -0.001 0.000 0.268 373 Q C -0.770 174.980 176.000 -0.417 0.000 1.027 373 Q CA -0.132 55.514 55.803 -0.262 0.000 0.759 373 Q CB 1.596 30.184 28.738 -0.249 0.000 1.244 373 Q HN 0.993 nan 8.270 nan 0.000 0.464 374 A N 4.372 126.934 122.820 -0.430 0.000 2.337 374 A HA 0.872 5.191 4.320 -0.001 0.000 0.329 374 A C -1.145 175.759 177.584 -1.133 0.000 1.146 374 A CA -0.496 51.121 52.037 -0.699 0.000 0.800 374 A CB 1.079 19.860 19.000 -0.365 0.000 1.220 374 A HN 0.804 nan 8.150 nan 0.000 0.472 375 Q N 0.813 119.846 119.800 -1.279 0.000 2.522 375 Q HA 0.552 4.892 4.340 -0.001 0.000 0.285 375 Q C -1.644 173.921 176.000 -0.726 0.000 0.982 375 Q CA -0.831 54.267 55.803 -1.174 0.000 0.805 375 Q CB 0.661 29.068 28.738 -0.553 0.000 1.457 375 Q HN 0.391 nan 8.270 nan 0.000 0.394 376 F N 0.624 120.476 119.950 -0.163 0.000 2.563 376 F HA 0.583 5.109 4.527 -0.001 0.000 0.363 376 F C 1.166 177.007 175.800 0.068 0.000 1.123 376 F CA 1.422 59.457 58.000 0.057 0.000 1.307 376 F CB 0.873 39.959 39.000 0.145 0.000 1.115 376 F HN 0.746 nan 8.300 nan 0.000 0.592 377 G N 0.392 109.370 108.800 0.297 0.000 2.727 377 G HA2 0.619 4.579 3.960 -0.001 0.000 0.289 377 G HA3 0.619 4.579 3.960 -0.001 0.000 0.289 377 G C -1.062 173.840 174.900 0.004 0.000 1.418 377 G CA -0.637 44.579 45.100 0.194 0.000 0.818 377 G HN 0.718 nan 8.290 nan 0.000 0.486 378 T N -1.892 112.586 114.554 -0.126 0.000 2.937 378 T HA 0.473 4.822 4.350 -0.001 0.000 0.283 378 T C 1.272 175.816 174.700 -0.260 0.000 1.012 378 T CA -0.485 61.502 62.100 -0.190 0.000 0.997 378 T CB 1.517 70.287 68.868 -0.164 0.000 1.136 378 T HN 0.525 nan 8.240 nan 0.000 0.551 379 L N 0.552 121.621 121.223 -0.256 0.000 2.046 379 L HA 0.033 4.372 4.340 -0.001 0.000 0.208 379 L C 2.777 179.604 176.870 -0.072 0.000 1.077 379 L CA 1.990 56.706 54.840 -0.206 0.000 0.747 379 L CB -1.147 40.823 42.059 -0.148 0.000 0.896 379 L HN 0.895 nan 8.230 nan 0.000 0.432 380 Q N -0.077 119.706 119.800 -0.028 0.000 2.124 380 Q HA -0.223 4.117 4.340 -0.001 0.000 0.202 380 Q C 2.092 178.027 176.000 -0.108 0.000 0.977 380 Q CA 1.978 57.797 55.803 0.027 0.000 0.850 380 Q CB -0.176 28.551 28.738 -0.018 0.000 0.901 380 Q HN 0.626 nan 8.270 nan 0.000 0.429 381 E N -1.202 118.843 120.200 -0.260 0.000 2.077 381 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 381 E C 1.708 177.870 176.600 -0.731 0.000 0.989 381 E CA 1.168 57.293 56.400 -0.459 0.000 0.800 381 E CB -0.310 29.049 29.700 -0.569 0.000 0.746 381 E HN 0.476 nan 8.360 nan 0.000 0.452 382 Y N 0.647 120.411 120.300 -0.892 0.000 2.070 382 Y HA -0.287 4.263 4.550 -0.001 0.000 0.280 382 Y C 1.914 177.518 175.900 -0.492 0.000 1.148 382 Y CA 1.705 59.319 58.100 -0.811 0.000 1.125 382 Y CB -0.516 37.493 38.460 -0.752 0.000 0.975 382 Y HN -0.058 nan 8.280 nan 0.000 0.492 383 F N 0.903 120.607 119.950 -0.410 0.000 2.171 383 F HA -0.185 4.341 4.527 -0.001 0.000 0.300 383 F C 2.246 177.817 175.800 -0.380 0.000 1.090 383 F CA 1.768 59.500 58.000 -0.447 0.000 1.293 383 F CB -0.837 38.088 39.000 -0.124 0.000 1.013 383 F HN 0.108 nan 8.300 nan 0.000 0.486 384 D N 0.060 120.412 120.400 -0.079 0.000 2.123 384 D HA -0.168 4.472 4.640 -0.001 0.000 0.196 384 D C 2.363 178.587 176.300 -0.127 0.000 0.992 384 D CA 1.518 55.477 54.000 -0.069 0.000 0.833 384 D CB -0.632 40.117 40.800 -0.085 0.000 0.954 384 D HN 0.239 nan 8.370 nan 0.000 0.455 385 A N 0.492 123.179 122.820 -0.222 0.000 1.930 385 A HA -0.112 4.208 4.320 -0.001 0.000 0.217 385 A C 2.531 179.992 177.584 -0.206 0.000 1.175 385 A CA 1.034 52.979 52.037 -0.153 0.000 0.627 385 A CB -0.675 18.303 19.000 -0.038 0.000 0.815 385 A HN 0.140 nan 8.150 nan 0.000 0.443 386 V N -0.082 119.576 119.914 -0.426 0.000 2.287 386 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 386 V C 2.422 178.331 176.094 -0.309 0.000 1.053 386 V CA 2.152 64.195 62.300 -0.429 0.000 1.027 386 V CB -1.022 30.365 31.823 -0.727 0.000 0.646 386 V HN 0.660 nan 8.190 nan 0.000 0.447 387 H N -0.284 118.669 119.070 -0.194 0.000 2.462 387 H HA -0.072 4.484 4.556 -0.001 0.000 0.292 387 H C 2.409 177.700 175.328 -0.061 0.000 1.049 387 H CA 1.317 57.281 56.048 -0.139 0.000 1.334 387 H CB -0.087 29.554 29.762 -0.202 0.000 1.404 387 H HN 0.555 nan 8.280 nan 0.000 0.544 388 Q N 0.378 120.196 119.800 0.029 0.000 2.084 388 Q HA -0.080 4.260 4.340 -0.001 0.000 0.202 388 Q C 2.569 178.587 176.000 0.029 0.000 0.978 388 Q CA 1.389 57.205 55.803 0.021 0.000 0.844 388 Q CB -0.026 28.713 28.738 0.002 0.000 0.898 388 Q HN 0.408 nan 8.270 nan 0.000 0.426 389 A N 1.057 123.891 122.820 0.022 0.000 1.902 389 A HA -0.265 4.054 4.320 -0.001 0.000 0.217 389 A C 1.954 179.570 177.584 0.055 0.000 1.181 389 A CA 1.625 53.689 52.037 0.045 0.000 0.623 389 A CB -0.571 18.459 19.000 0.050 0.000 0.818 389 A HN 0.453 nan 8.150 nan 0.000 0.443 390 E N -0.181 120.070 120.200 0.084 0.000 2.058 390 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 390 E C 2.228 178.869 176.600 0.070 0.000 0.997 390 E CA 1.222 57.682 56.400 0.101 0.000 0.801 390 E CB -0.156 29.711 29.700 0.279 0.000 0.746 390 E HN 0.578 nan 8.360 nan 0.000 0.450 391 R N -0.258 120.284 120.500 0.071 0.000 2.152 391 R HA -0.064 4.276 4.340 -0.001 0.000 0.232 391 R C 2.115 178.433 176.300 0.030 0.000 1.117 391 R CA 0.866 56.992 56.100 0.045 0.000 0.981 391 R CB -0.165 30.156 30.300 0.035 0.000 0.870 391 R HN 0.146 nan 8.270 nan 0.000 0.451 392 A N 0.219 123.058 122.820 0.032 0.000 2.235 392 A HA 0.171 4.491 4.320 -0.001 0.000 0.208 392 A C 1.356 178.952 177.584 0.020 0.000 1.172 392 A CA 0.778 52.831 52.037 0.027 0.000 0.786 392 A CB -0.158 18.863 19.000 0.036 0.000 0.804 392 A HN 0.446 nan 8.150 nan 0.000 0.479 393 G N -0.318 108.491 108.800 0.015 0.000 2.147 393 G HA2 -0.369 3.591 3.960 -0.001 0.000 0.244 393 G HA3 -0.369 3.591 3.960 -0.001 0.000 0.244 393 G C 0.743 175.638 174.900 -0.009 0.000 1.005 393 G CA 0.765 45.866 45.100 0.001 0.000 0.713 393 G HN 0.973 nan 8.290 nan 0.000 0.515 394 Q N -0.721 119.080 119.800 0.001 0.000 2.398 394 Q HA 0.637 4.976 4.340 -0.001 0.000 0.204 394 Q C 0.941 176.920 176.000 -0.034 0.000 0.932 394 Q CA 1.332 57.139 55.803 0.007 0.000 0.916 394 Q CB 0.347 29.125 28.738 0.067 0.000 1.024 394 Q HN 1.659 nan 8.270 nan 0.000 0.504 395 A N 1.061 123.820 122.820 -0.101 0.000 2.589 395 A HA 0.523 4.842 4.320 -0.001 0.000 0.296 395 A C -1.658 175.706 177.584 -0.366 0.000 1.062 395 A CA -0.915 50.970 52.037 -0.253 0.000 0.686 395 A CB 1.336 20.123 19.000 -0.355 0.000 1.282 395 A HN 0.389 nan 8.150 nan 0.000 0.404 396 E N 0.766 120.728 120.200 -0.396 0.000 2.256 396 E HA 0.771 5.121 4.350 -0.001 0.000 0.267 396 E C -1.722 174.644 176.600 -0.390 0.000 0.892 396 E CA -0.599 55.615 56.400 -0.310 0.000 0.775 396 E CB 1.772 31.418 29.700 -0.089 0.000 1.207 396 E HN 0.338 nan 8.360 nan 0.000 0.420 397 F N 1.424 121.479 119.950 0.174 0.000 2.480 397 F HA 0.421 4.947 4.527 -0.000 0.000 0.329 397 F C -1.913 173.987 175.800 0.167 0.000 1.091 397 F CA -2.331 55.796 58.000 0.211 0.000 0.972 397 F CB 1.252 40.456 39.000 0.341 0.000 1.150 397 F HN 0.341 nan 8.300 nan 0.000 0.467 398 P HA 0.190 nan 4.420 nan 0.000 0.274 398 P C -0.612 176.827 177.300 0.232 0.000 1.237 398 P CA -0.376 62.853 63.100 0.215 0.000 0.793 398 P CB 0.888 32.683 31.700 0.158 0.000 0.977 399 T N -0.583 114.060 114.554 0.148 0.000 2.907 399 T HA 0.675 5.024 4.350 -0.001 0.000 0.284 399 T C -0.297 174.433 174.700 0.050 0.000 1.004 399 T CA -0.798 61.382 62.100 0.133 0.000 1.063 399 T CB 1.027 69.952 68.868 0.094 0.000 0.992 399 T HN 0.452 nan 8.240 nan 0.000 0.483 400 L N 1.841 123.092 121.223 0.047 0.000 2.445 400 L HA 0.720 5.059 4.340 -0.001 0.000 0.262 400 L C -0.659 176.203 176.870 -0.013 0.000 0.974 400 L CA -0.418 54.344 54.840 -0.130 0.000 0.822 400 L CB 2.193 43.936 42.059 -0.526 0.000 1.339 400 L HN 1.108 nan 8.230 nan 0.000 0.409 401 S N 2.519 118.167 115.700 -0.088 0.000 2.632 401 S HA 1.062 5.531 4.470 -0.001 0.000 0.289 401 S C -0.319 174.206 174.600 -0.125 0.000 1.115 401 S CA -0.019 58.184 58.200 0.004 0.000 0.889 401 S CB 2.074 65.244 63.200 -0.050 0.000 1.116 401 S HN 1.667 nan 8.310 nan 0.000 0.486 402 G N 1.003 109.784 108.800 -0.032 0.000 2.331 402 G HA2 0.321 4.281 3.960 -0.001 0.000 0.479 402 G HA3 0.321 4.281 3.960 -0.001 0.000 0.479 402 G C -1.798 173.006 174.900 -0.160 0.000 1.262 402 G CA -0.013 44.974 45.100 -0.188 0.000 1.029 402 G HN 1.283 nan 8.290 nan 0.000 0.487 403 D N -1.741 118.438 120.400 -0.368 0.000 2.585 403 D HA 0.750 5.389 4.640 -0.001 0.000 0.254 403 D C -0.614 175.204 176.300 -0.803 0.000 1.067 403 D CA -1.048 52.750 54.000 -0.338 0.000 1.090 403 D CB 1.114 41.901 40.800 -0.022 0.000 1.408 403 D HN 0.371 nan 8.370 nan 0.000 0.554 404 F N -0.469 119.357 119.950 -0.207 0.000 2.761 404 F HA 0.394 4.920 4.527 -0.001 0.000 0.367 404 F C -0.902 174.724 175.800 -0.290 0.000 1.386 404 F CA -0.650 57.226 58.000 -0.207 0.000 1.177 404 F CB 0.117 39.025 39.000 -0.153 0.000 1.092 404 F HN 0.003 nan 8.300 nan 0.000 0.517 405 F N -0.709 119.421 119.950 0.300 0.000 2.538 405 F HA 0.561 5.087 4.527 -0.001 0.000 0.325 405 F C 0.637 176.691 175.800 0.422 0.000 1.066 405 F CA -1.390 56.852 58.000 0.403 0.000 0.946 405 F CB 1.486 40.718 39.000 0.386 0.000 1.199 405 F HN -0.292 nan 8.300 nan 0.000 0.473 406 T N 1.877 116.802 114.554 0.618 0.000 2.806 406 T HA 0.155 4.505 4.350 -0.001 0.000 0.290 406 T C -0.909 174.246 174.700 0.758 0.000 0.966 406 T CA -0.201 62.327 62.100 0.714 0.000 1.060 406 T CB 0.099 69.252 68.868 0.475 0.000 0.927 406 T HN 0.371 nan 8.240 nan 0.000 0.485 407 Y N 3.047 123.665 120.300 0.530 0.000 2.511 407 Y HA 0.399 4.949 4.550 -0.001 0.000 0.332 407 Y C -0.084 175.865 175.900 0.081 0.000 1.177 407 Y CA -0.993 57.250 58.100 0.239 0.000 1.422 407 Y CB 0.111 38.582 38.460 0.019 0.000 1.271 407 Y HN 0.683 nan 8.280 nan 0.000 0.550 408 A N 5.155 127.541 122.820 -0.723 0.000 2.374 408 A HA 0.362 4.682 4.320 -0.001 0.000 0.305 408 A C -0.003 176.961 177.584 -1.033 0.000 1.053 408 A CA -0.271 51.180 52.037 -0.976 0.000 0.726 408 A CB 0.691 18.872 19.000 -1.365 0.000 1.229 408 A HN 0.804 nan 8.150 nan 0.000 0.431 409 D N 1.533 121.489 120.400 -0.739 0.000 2.305 409 D HA 0.041 4.680 4.640 -0.001 0.000 0.206 409 D C 0.520 176.823 176.300 0.005 0.000 0.974 409 D CA 0.571 54.401 54.000 -0.283 0.000 0.871 409 D CB 0.146 40.925 40.800 -0.033 0.000 0.947 409 D HN 0.722 nan 8.370 nan 0.000 0.516 410 R N -2.246 118.195 120.500 -0.100 0.000 2.687 410 R HA 0.407 4.746 4.340 -0.001 0.000 0.265 410 R C -0.187 176.000 176.300 -0.187 0.000 1.048 410 R CA -0.214 55.675 56.100 -0.350 0.000 0.884 410 R CB 0.828 30.996 30.300 -0.220 0.000 1.258 410 R HN -0.108 nan 8.270 nan 0.000 0.469 411 S N 0.336 115.884 115.700 -0.253 0.000 3.938 411 S HA -0.295 4.175 4.470 -0.001 0.000 0.624 411 S C 0.457 175.132 174.600 0.125 0.000 2.186 411 S CA 1.939 60.132 58.200 -0.012 0.000 4.144 411 S CB -1.055 62.119 63.200 -0.042 0.000 0.230 411 S HN 1.091 nan 8.310 nan 0.000 0.755 412 D N 1.415 121.875 120.400 0.099 0.000 2.388 412 D HA 0.182 4.821 4.640 -0.001 0.000 0.221 412 D C 0.068 176.465 176.300 0.161 0.000 1.133 412 D CA -0.107 54.014 54.000 0.202 0.000 0.831 412 D CB -1.451 39.454 40.800 0.175 0.000 0.962 412 D HN 0.512 nan 8.370 nan 0.000 0.502 413 N N 0.951 119.651 118.700 -0.000 0.000 2.739 413 N HA 0.043 4.782 4.740 -0.001 0.000 0.266 413 N C -0.922 174.605 175.510 0.028 0.000 1.168 413 N CA -0.285 52.768 53.050 0.006 0.000 1.055 413 N CB 0.113 38.587 38.487 -0.022 0.000 1.393 413 N HN 0.147 nan 8.380 nan 0.000 0.514 414 Y N 0.244 120.632 120.300 0.146 0.000 2.316 414 Y HA 0.117 4.666 4.550 -0.001 0.000 0.331 414 Y C 0.092 176.192 175.900 0.334 0.000 1.083 414 Y CA -0.699 57.550 58.100 0.249 0.000 1.206 414 Y CB 0.571 39.123 38.460 0.153 0.000 1.195 414 Y HN 0.391 nan 8.280 nan 0.000 0.497 415 W N 2.448 123.882 121.300 0.223 0.000 1.809 415 W HA 0.229 4.888 4.660 -0.001 0.000 0.399 415 W C 0.825 177.384 176.519 0.067 0.000 0.636 415 W CA -0.679 56.821 57.345 0.259 0.000 2.178 415 W CB -0.543 29.169 29.460 0.419 0.000 1.632 415 W HN 0.546 nan 8.180 nan 0.000 0.470 416 S N -2.038 113.699 115.700 0.062 0.000 2.556 416 S HA 0.131 4.600 4.470 -0.001 0.000 0.216 416 S C 1.951 176.288 174.600 -0.438 0.000 0.970 416 S CA 0.327 58.208 58.200 -0.533 0.000 0.912 416 S CB 0.165 63.364 63.200 -0.001 0.000 0.790 416 S HN 0.339 nan 8.310 nan 0.000 0.504 417 G N 2.049 110.786 108.800 -0.104 0.000 2.418 417 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 417 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 417 G C 1.259 176.138 174.900 -0.034 0.000 1.158 417 G CA 0.919 45.969 45.100 -0.083 0.000 0.771 417 G HN 0.795 nan 8.290 nan 0.000 0.545 418 Y N -0.393 119.881 120.300 -0.043 0.000 2.616 418 Y HA 0.148 4.697 4.550 -0.001 0.000 0.296 418 Y C 1.824 177.849 175.900 0.208 0.000 1.154 418 Y CA -0.369 57.785 58.100 0.089 0.000 1.325 418 Y CB -0.395 38.207 38.460 0.236 0.000 1.007 418 Y HN 0.186 nan 8.280 nan 0.000 0.542 419 Y N 0.639 120.713 120.300 -0.377 0.000 2.497 419 Y HA -0.041 4.508 4.550 -0.001 0.000 0.292 419 Y C 1.756 177.603 175.900 -0.088 0.000 1.137 419 Y CA 0.689 58.608 58.100 -0.301 0.000 1.285 419 Y CB -0.790 37.532 38.460 -0.230 0.000 0.991 419 Y HN 0.303 nan 8.280 nan 0.000 0.556 420 T N -2.777 111.842 114.554 0.108 0.000 2.964 420 T HA 0.080 4.430 4.350 -0.001 0.000 0.250 420 T C 0.727 175.511 174.700 0.141 0.000 0.982 420 T CA -0.065 62.100 62.100 0.107 0.000 0.959 420 T CB 0.002 68.905 68.868 0.058 0.000 1.141 420 T HN -0.062 nan 8.240 nan 0.000 0.494 421 S N 2.460 118.241 115.700 0.135 0.000 2.573 421 S HA 0.186 4.655 4.470 -0.001 0.000 0.297 421 S C 0.403 175.134 174.600 0.219 0.000 1.280 421 S CA 0.019 58.309 58.200 0.151 0.000 1.061 421 S CB 0.080 63.354 63.200 0.123 0.000 0.812 421 S HN 0.403 nan 8.310 nan 0.000 0.500 422 R N 1.017 121.662 120.500 0.241 0.000 3.205 422 R HA -0.122 4.218 4.340 -0.001 0.000 0.249 422 R C -2.015 174.529 176.300 0.407 0.000 0.937 422 R CA 0.698 57.014 56.100 0.360 0.000 0.641 422 R CB -1.789 28.752 30.300 0.403 0.000 1.114 422 R HN 0.505 nan 8.270 nan 0.000 0.451 423 P HA -0.212 nan 4.420 nan 0.000 0.223 423 P C 1.108 178.618 177.300 0.349 0.000 1.151 423 P CA 0.928 64.242 63.100 0.356 0.000 0.787 423 P CB -0.015 31.933 31.700 0.415 0.000 0.788 424 Y N 1.525 121.916 120.300 0.153 0.000 2.165 424 Y HA -0.259 4.291 4.550 -0.001 0.000 0.286 424 Y C 2.256 178.149 175.900 -0.011 0.000 1.155 424 Y CA 2.084 60.194 58.100 0.018 0.000 1.164 424 Y CB -0.923 37.421 38.460 -0.193 0.000 0.978 424 Y HN 0.068 nan 8.280 nan 0.000 0.513 425 H N -0.924 118.392 119.070 0.410 0.000 2.470 425 H HA 0.028 4.584 4.556 -0.001 0.000 0.289 425 H C 2.038 177.521 175.328 0.258 0.000 1.033 425 H CA 1.169 57.386 56.048 0.281 0.000 1.331 425 H CB -0.046 29.945 29.762 0.380 0.000 1.414 425 H HN 0.246 nan 8.280 nan 0.000 0.545 426 K N 0.398 121.016 120.400 0.364 0.000 2.057 426 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 426 K C 2.255 178.914 176.600 0.098 0.000 1.049 426 K CA 1.261 57.699 56.287 0.252 0.000 0.931 426 K CB 0.057 32.684 32.500 0.212 0.000 0.714 426 K HN 0.025 nan 8.250 nan 0.000 0.440 427 R N 1.419 121.949 120.500 0.050 0.000 2.081 427 R HA -0.034 4.306 4.340 -0.001 0.000 0.235 427 R C 2.080 178.152 176.300 -0.381 0.000 1.131 427 R CA 1.531 57.588 56.100 -0.072 0.000 0.960 427 R CB -0.472 29.872 30.300 0.074 0.000 0.856 427 R HN 0.172 nan 8.270 nan 0.000 0.436 428 M N 0.256 119.507 119.600 -0.581 0.000 2.149 428 M HA -0.220 4.260 4.480 -0.001 0.000 0.261 428 M C 1.485 177.483 176.300 -0.503 0.000 1.064 428 M CA 2.452 57.188 55.300 -0.941 0.000 1.102 428 M CB -0.349 31.875 32.600 -0.627 0.000 1.369 428 M HN 0.298 nan 8.290 nan 0.000 0.408 429 D N -0.325 119.959 120.400 -0.194 0.000 2.116 429 D HA -0.218 4.422 4.640 -0.001 0.000 0.193 429 D C 1.893 178.124 176.300 -0.115 0.000 0.998 429 D CA 1.461 55.441 54.000 -0.032 0.000 0.836 429 D CB 0.114 41.035 40.800 0.201 0.000 0.951 429 D HN 0.227 nan 8.370 nan 0.000 0.449 430 R N 0.052 120.461 120.500 -0.152 0.000 2.090 430 R HA -0.013 4.327 4.340 -0.001 0.000 0.228 430 R C 2.434 178.604 176.300 -0.217 0.000 1.110 430 R CA 0.450 56.452 56.100 -0.164 0.000 0.973 430 R CB -0.956 29.264 30.300 -0.135 0.000 0.869 430 R HN 0.263 nan 8.270 nan 0.000 0.440 431 V N 1.526 121.245 119.914 -0.325 0.000 2.295 431 V HA -0.214 3.905 4.120 -0.001 0.000 0.246 431 V C 2.371 178.380 176.094 -0.142 0.000 1.049 431 V CA 1.511 63.625 62.300 -0.310 0.000 1.024 431 V CB -0.584 30.856 31.823 -0.638 0.000 0.648 431 V HN 0.134 nan 8.190 nan 0.000 0.447 432 L N -0.391 120.720 121.223 -0.187 0.000 2.083 432 L HA -0.153 4.187 4.340 -0.001 0.000 0.209 432 L C 2.314 179.140 176.870 -0.073 0.000 1.083 432 L CA 2.016 56.809 54.840 -0.078 0.000 0.752 432 L CB -0.681 41.304 42.059 -0.123 0.000 0.899 432 L HN 0.332 nan 8.230 nan 0.000 0.433 433 M N -1.290 118.240 119.600 -0.117 0.000 2.073 433 M HA -0.339 4.141 4.480 -0.001 0.000 0.258 433 M C 2.383 178.588 176.300 -0.159 0.000 1.070 433 M CA 2.456 57.668 55.300 -0.147 0.000 1.103 433 M CB -0.419 32.060 32.600 -0.201 0.000 1.321 433 M HN 0.561 nan 8.290 nan 0.000 0.405 434 H N -0.753 118.165 119.070 -0.252 0.000 2.357 434 H HA -0.158 4.397 4.556 -0.001 0.000 0.301 434 H C 1.431 176.608 175.328 -0.252 0.000 1.082 434 H CA 2.396 58.264 56.048 -0.300 0.000 1.342 434 H CB -0.360 29.149 29.762 -0.422 0.000 1.389 434 H HN 0.495 nan 8.280 nan 0.000 0.511 435 Y N -0.569 119.593 120.300 -0.230 0.000 2.293 435 Y HA -0.116 4.434 4.550 -0.001 0.000 0.291 435 Y C 2.688 178.470 175.900 -0.197 0.000 1.137 435 Y CA 1.021 58.984 58.100 -0.228 0.000 1.202 435 Y CB -0.441 37.953 38.460 -0.111 0.000 0.990 435 Y HN 0.112 nan 8.280 nan 0.000 0.537 436 V N 0.233 120.120 119.914 -0.044 0.000 2.295 436 V HA -0.320 3.799 4.120 -0.001 0.000 0.246 436 V C 2.545 178.577 176.094 -0.104 0.000 1.049 436 V CA 2.222 64.479 62.300 -0.073 0.000 1.024 436 V CB -0.579 31.194 31.823 -0.084 0.000 0.648 436 V HN 0.318 nan 8.190 nan 0.000 0.447 437 R N 0.377 120.782 120.500 -0.157 0.000 2.083 437 R HA -0.191 4.149 4.340 -0.001 0.000 0.237 437 R C 2.244 178.481 176.300 -0.105 0.000 1.137 437 R CA 1.949 57.966 56.100 -0.139 0.000 0.951 437 R CB -0.497 29.706 30.300 -0.162 0.000 0.851 437 R HN 0.466 nan 8.270 nan 0.000 0.434 438 A N 0.574 123.283 122.820 -0.185 0.000 1.930 438 A HA -0.028 4.292 4.320 -0.001 0.000 0.217 438 A C 2.358 179.943 177.584 0.001 0.000 1.175 438 A CA 1.512 53.528 52.037 -0.035 0.000 0.627 438 A CB -0.687 18.260 19.000 -0.089 0.000 0.815 438 A HN 0.572 nan 8.150 nan 0.000 0.443 439 A N -0.112 122.701 122.820 -0.012 0.000 1.898 439 A HA -0.150 4.169 4.320 -0.001 0.000 0.216 439 A C 1.938 179.494 177.584 -0.047 0.000 1.181 439 A CA 1.541 53.568 52.037 -0.017 0.000 0.620 439 A CB -0.491 18.494 19.000 -0.025 0.000 0.819 439 A HN 0.614 nan 8.150 nan 0.000 0.442 440 E N -0.959 119.205 120.200 -0.060 0.000 2.072 440 E HA -0.197 4.153 4.350 -0.001 0.000 0.191 440 E C 2.068 178.615 176.600 -0.088 0.000 0.985 440 E CA 1.333 57.685 56.400 -0.080 0.000 0.801 440 E CB -0.260 29.390 29.700 -0.083 0.000 0.750 440 E HN 0.746 nan 8.360 nan 0.000 0.452 441 M N 0.760 120.331 119.600 -0.049 0.000 2.077 441 M HA -0.154 4.326 4.480 -0.001 0.000 0.261 441 M C 2.191 178.493 176.300 0.005 0.000 1.070 441 M CA 1.372 56.644 55.300 -0.047 0.000 1.125 441 M CB 0.015 32.678 32.600 0.105 0.000 1.339 441 M HN 0.075 nan 8.290 nan 0.000 0.409 442 L N 0.084 121.370 121.223 0.105 0.000 2.079 442 L HA -0.200 4.139 4.340 -0.001 0.000 0.210 442 L C 2.628 179.667 176.870 0.281 0.000 1.081 442 L CA 1.734 56.698 54.840 0.207 0.000 0.752 442 L CB -0.552 41.490 42.059 -0.027 0.000 0.896 442 L HN 0.517 nan 8.230 nan 0.000 0.433 443 S N -1.010 114.776 115.700 0.143 0.000 2.527 443 S HA 0.071 4.541 4.470 -0.001 0.000 0.222 443 S C 1.983 176.757 174.600 0.290 0.000 0.985 443 S CA 0.377 58.733 58.200 0.260 0.000 0.921 443 S CB 0.011 63.174 63.200 -0.062 0.000 0.772 443 S HN 0.294 nan 8.310 nan 0.000 0.529 444 A N 0.962 123.777 122.820 -0.007 0.000 2.015 444 A HA 0.082 4.401 4.320 -0.001 0.000 0.219 444 A C 1.704 179.179 177.584 -0.182 0.000 1.163 444 A CA 0.806 52.740 52.037 -0.172 0.000 0.646 444 A CB -1.198 17.554 19.000 -0.413 0.000 0.806 444 A HN 0.759 nan 8.150 nan 0.000 0.448 445 W N -0.625 120.681 121.300 0.011 0.000 2.364 445 W HA -0.047 4.613 4.660 -0.001 0.000 0.281 445 W C 0.918 177.225 176.519 -0.354 0.000 1.219 445 W CA 1.076 58.328 57.345 -0.155 0.000 1.220 445 W CB -0.191 29.134 29.460 -0.225 0.000 1.127 445 W HN 0.401 nan 8.180 nan 0.000 0.556 446 H N -2.255 116.872 119.070 0.096 0.000 2.731 446 H HA 0.373 4.929 4.556 -0.001 0.000 0.368 446 H C -0.325 174.903 175.328 -0.168 0.000 1.168 446 H CA -0.932 55.016 56.048 -0.168 0.000 1.181 446 H CB 1.601 31.025 29.762 -0.564 0.000 1.743 446 H HN -0.430 nan 8.280 nan 0.000 0.547 447 S N 0.922 116.581 115.700 -0.068 0.000 2.537 447 S HA 0.185 4.654 4.470 -0.001 0.000 0.275 447 S C -1.118 173.370 174.600 -0.187 0.000 1.272 447 S CA -0.578 57.600 58.200 -0.037 0.000 1.050 447 S CB 0.211 63.400 63.200 -0.018 0.000 0.961 447 S HN 0.326 nan 8.310 nan 0.000 0.496 448 W N 1.469 122.768 121.300 -0.002 0.000 2.632 448 W HA 0.344 5.004 4.660 -0.001 0.000 0.328 448 W C 0.034 176.509 176.519 -0.073 0.000 1.044 448 W CA -0.906 56.410 57.345 -0.049 0.000 1.225 448 W CB 0.542 29.941 29.460 -0.102 0.000 1.396 448 W HN 0.567 nan 8.180 nan 0.000 0.499 449 D N 0.842 121.317 120.400 0.125 0.000 2.472 449 D HA 0.125 4.765 4.640 -0.001 0.000 0.237 449 D C 1.659 177.960 176.300 0.002 0.000 1.141 449 D CA 1.253 55.290 54.000 0.063 0.000 0.875 449 D CB 1.187 42.047 40.800 0.100 0.000 1.192 449 D HN 0.564 nan 8.370 nan 0.000 0.450 450 G N 2.953 111.762 108.800 0.015 0.000 2.462 450 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.220 450 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.220 450 G C 1.312 176.190 174.900 -0.037 0.000 1.121 450 G CA 0.451 45.547 45.100 -0.007 0.000 0.758 450 G HN 0.473 nan 8.290 nan 0.000 0.559 451 M N 1.042 120.631 119.600 -0.018 0.000 2.358 451 M HA 0.095 4.575 4.480 -0.001 0.000 0.264 451 M C 2.765 179.000 176.300 -0.109 0.000 1.064 451 M CA 0.757 56.071 55.300 0.023 0.000 1.093 451 M CB -0.908 31.797 32.600 0.176 0.000 1.401 451 M HN 0.316 nan 8.290 nan 0.000 0.440 452 A N -0.168 122.360 122.820 -0.487 0.000 2.167 452 A HA -0.031 4.288 4.320 -0.001 0.000 0.214 452 A C 1.235 178.625 177.584 -0.323 0.000 1.151 452 A CA 0.382 51.933 52.037 -0.810 0.000 0.735 452 A CB -0.354 17.974 19.000 -1.121 0.000 0.802 452 A HN 0.588 nan 8.150 nan 0.000 0.467 453 R N -1.747 118.636 120.500 -0.195 0.000 3.758 453 R HA -0.181 4.159 4.340 -0.001 0.000 0.299 453 R C 0.679 176.875 176.300 -0.173 0.000 1.182 453 R CA 0.760 56.784 56.100 -0.127 0.000 0.809 453 R CB -2.153 28.105 30.300 -0.070 0.000 1.249 453 R HN 0.479 nan 8.270 nan 0.000 0.497 454 I N 0.534 120.951 120.570 -0.254 0.000 2.163 454 I HA -0.181 3.989 4.170 -0.001 0.000 0.240 454 I C 2.131 178.128 176.117 -0.200 0.000 1.081 454 I CA 1.660 62.763 61.300 -0.328 0.000 1.353 454 I CB -0.695 36.955 38.000 -0.583 0.000 1.054 454 I HN 0.196 nan 8.210 nan 0.000 0.407 455 E N 0.762 120.882 120.200 -0.134 0.000 2.118 455 E HA -0.242 4.107 4.350 -0.001 0.000 0.195 455 E C 2.087 178.643 176.600 -0.074 0.000 0.992 455 E CA 1.260 57.609 56.400 -0.085 0.000 0.804 455 E CB -0.238 29.435 29.700 -0.045 0.000 0.741 455 E HN 0.479 nan 8.360 nan 0.000 0.458 456 E N 0.406 120.564 120.200 -0.071 0.000 2.031 456 E HA -0.252 4.098 4.350 -0.001 0.000 0.193 456 E C 1.945 178.506 176.600 -0.066 0.000 0.994 456 E CA 1.082 57.449 56.400 -0.055 0.000 0.800 456 E CB 0.097 29.769 29.700 -0.046 0.000 0.752 456 E HN -0.026 nan 8.360 nan 0.000 0.447 457 R N 0.301 120.749 120.500 -0.085 0.000 2.092 457 R HA -0.010 4.329 4.340 -0.001 0.000 0.231 457 R C 2.392 178.639 176.300 -0.088 0.000 1.119 457 R CA 0.909 56.958 56.100 -0.084 0.000 0.970 457 R CB -0.500 29.742 30.300 -0.097 0.000 0.864 457 R HN 0.280 nan 8.270 nan 0.000 0.440 458 L N -0.083 121.079 121.223 -0.103 0.000 2.093 458 L HA -0.124 4.216 4.340 -0.001 0.000 0.208 458 L C 2.377 179.190 176.870 -0.095 0.000 1.085 458 L CA 1.473 56.253 54.840 -0.099 0.000 0.755 458 L CB -0.426 41.569 42.059 -0.107 0.000 0.904 458 L HN 0.303 nan 8.230 nan 0.000 0.435 459 E N 0.169 120.317 120.200 -0.087 0.000 2.077 459 E HA -0.301 4.048 4.350 -0.001 0.000 0.193 459 E C 2.209 178.742 176.600 -0.110 0.000 0.989 459 E CA 1.282 57.624 56.400 -0.096 0.000 0.800 459 E CB -0.010 29.654 29.700 -0.060 0.000 0.746 459 E HN 0.428 nan 8.360 nan 0.000 0.452 460 Q N 0.068 119.820 119.800 -0.080 0.000 2.061 460 Q HA -0.232 4.107 4.340 -0.001 0.000 0.204 460 Q C 2.104 178.057 176.000 -0.078 0.000 0.984 460 Q CA 1.796 57.558 55.803 -0.068 0.000 0.846 460 Q CB -0.257 28.452 28.738 -0.048 0.000 0.902 460 Q HN 0.361 nan 8.270 nan 0.000 0.421 461 A N 1.026 123.799 122.820 -0.079 0.000 1.877 461 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 461 A C 2.090 179.617 177.584 -0.094 0.000 1.186 461 A CA 1.506 53.498 52.037 -0.075 0.000 0.620 461 A CB -0.536 18.422 19.000 -0.070 0.000 0.822 461 A HN 0.385 nan 8.150 nan 0.000 0.443 462 R N -0.800 119.624 120.500 -0.125 0.000 2.096 462 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 462 R C 2.442 178.601 176.300 -0.236 0.000 1.127 462 R CA 1.627 57.629 56.100 -0.164 0.000 0.968 462 R CB -0.274 29.916 30.300 -0.182 0.000 0.861 462 R HN 0.496 nan 8.270 nan 0.000 0.440 463 R N 0.220 120.552 120.500 -0.280 0.000 2.090 463 R HA -0.058 4.282 4.340 -0.001 0.000 0.228 463 R C 2.090 178.331 176.300 -0.099 0.000 1.110 463 R CA 0.872 56.742 56.100 -0.383 0.000 0.973 463 R CB 0.030 30.123 30.300 -0.345 0.000 0.869 463 R HN 0.197 nan 8.270 nan 0.000 0.440 464 E N 0.851 121.025 120.200 -0.043 0.000 2.072 464 E HA -0.172 4.177 4.350 -0.001 0.000 0.191 464 E C 1.985 178.623 176.600 0.062 0.000 0.985 464 E CA 0.770 57.190 56.400 0.032 0.000 0.801 464 E CB -0.234 29.476 29.700 0.016 0.000 0.750 464 E HN 0.144 nan 8.360 nan 0.000 0.452 465 L N 1.340 122.570 121.223 0.011 0.000 2.056 465 L HA -0.092 4.248 4.340 -0.001 0.000 0.207 465 L C 2.189 179.108 176.870 0.082 0.000 1.078 465 L CA 1.613 56.478 54.840 0.042 0.000 0.749 465 L CB -0.640 41.410 42.059 -0.016 0.000 0.901 465 L HN -0.092 nan 8.230 nan 0.000 0.433 466 S N -0.414 115.298 115.700 0.021 0.000 2.370 466 S HA -0.195 4.275 4.470 -0.001 0.000 0.226 466 S C 1.855 176.595 174.600 0.234 0.000 1.033 466 S CA 1.570 59.813 58.200 0.072 0.000 1.011 466 S CB -0.605 62.537 63.200 -0.097 0.000 0.852 466 S HN 0.456 nan 8.310 nan 0.000 0.457 467 L N 0.689 122.091 121.223 0.299 0.000 2.042 467 L HA -0.053 4.286 4.340 -0.001 0.000 0.210 467 L C 1.893 178.874 176.870 0.185 0.000 1.076 467 L CA 1.666 56.680 54.840 0.289 0.000 0.749 467 L CB -0.613 41.590 42.059 0.240 0.000 0.893 467 L HN 0.294 nan 8.230 nan 0.000 0.432 468 F N -0.331 119.600 119.950 -0.032 0.000 2.546 468 F HA -0.129 4.398 4.527 -0.001 0.000 0.298 468 F C 2.189 177.919 175.800 -0.117 0.000 1.120 468 F CA 0.828 58.704 58.000 -0.207 0.000 1.456 468 F CB -0.225 38.686 39.000 -0.148 0.000 1.088 468 F HN 0.254 nan 8.300 nan 0.000 0.572 469 Q N -0.352 119.419 119.800 -0.050 0.000 2.436 469 Q HA -0.153 4.186 4.340 -0.001 0.000 0.209 469 Q C 0.793 176.742 176.000 -0.086 0.000 0.965 469 Q CA 0.456 56.209 55.803 -0.084 0.000 0.910 469 Q CB -1.234 27.522 28.738 0.029 0.000 0.980 469 Q HN 0.561 nan 8.270 nan 0.000 0.491 470 H N 1.944 120.914 119.070 -0.167 0.000 3.073 470 H HA -0.107 4.448 4.556 -0.001 0.000 0.340 470 H C 1.092 176.285 175.328 -0.225 0.000 1.054 470 H CA 0.486 56.436 56.048 -0.165 0.000 1.372 470 H CB 0.680 30.360 29.762 -0.137 0.000 1.314 470 H HN 0.337 nan 8.280 nan 0.000 0.603 471 H N 2.854 121.509 119.070 -0.691 0.000 2.563 471 H HA -0.033 4.523 4.556 -0.001 0.000 0.272 471 H C -0.246 174.668 175.328 -0.689 0.000 1.005 471 H CA 0.462 56.076 56.048 -0.724 0.000 1.171 471 H CB 0.249 29.583 29.762 -0.713 0.000 1.351 471 H HN 0.583 nan 8.280 nan 0.000 0.602 472 D N 0.364 120.085 120.400 -1.131 0.000 2.469 472 D HA 0.129 4.769 4.640 -0.001 0.000 0.215 472 D C 1.621 177.914 176.300 -0.011 0.000 1.154 472 D CA 0.328 54.193 54.000 -0.224 0.000 0.832 472 D CB 0.822 41.721 40.800 0.166 0.000 1.008 472 D HN 0.526 nan 8.370 nan 0.000 0.506 473 G N 1.261 109.842 108.800 -0.366 0.000 2.600 473 G HA2 -0.003 3.957 3.960 -0.001 0.000 0.225 473 G HA3 -0.003 3.957 3.960 -0.001 0.000 0.225 473 G C 1.343 175.648 174.900 -0.992 0.000 1.623 473 G CA -0.216 44.395 45.100 -0.816 0.000 0.903 473 G HN 0.197 nan 8.290 nan 0.000 0.574 474 I N 1.988 121.708 120.570 -1.417 0.000 2.423 474 I HA -0.183 3.986 4.170 -0.001 0.000 0.254 474 I C 2.898 178.924 176.117 -0.151 0.000 1.151 474 I CA 2.075 62.860 61.300 -0.859 0.000 1.421 474 I CB -0.048 37.626 38.000 -0.543 0.000 1.079 474 I HN 0.383 nan 8.210 nan 0.000 0.431 475 T N -1.606 112.911 114.554 -0.062 0.000 3.007 475 T HA 0.005 4.355 4.350 -0.001 0.000 0.270 475 T C 1.550 176.404 174.700 0.256 0.000 1.107 475 T CA 0.659 62.912 62.100 0.256 0.000 1.118 475 T CB -0.584 68.440 68.868 0.260 0.000 0.889 475 T HN 0.647 nan 8.240 nan 0.000 0.506 476 G N 1.415 110.319 108.800 0.174 0.000 2.198 476 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.257 476 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.257 476 G C 0.535 175.515 174.900 0.133 0.000 1.042 476 G CA 0.664 45.884 45.100 0.201 0.000 0.791 476 G HN 1.187 nan 8.290 nan 0.000 0.502 477 T N -3.550 111.087 114.554 0.138 0.000 3.228 477 T HA 0.740 5.090 4.350 -0.001 0.000 0.278 477 T C 0.831 175.749 174.700 0.363 0.000 1.014 477 T CA 1.035 63.165 62.100 0.051 0.000 0.904 477 T CB 0.977 69.762 68.868 -0.138 0.000 1.110 477 T HN 1.581 nan 8.240 nan 0.000 0.541 478 A N 1.252 124.290 122.820 0.363 0.000 2.281 478 A HA 0.682 5.001 4.320 -0.001 0.000 0.329 478 A C 0.238 177.929 177.584 0.178 0.000 1.122 478 A CA -0.916 51.362 52.037 0.402 0.000 0.850 478 A CB 0.866 20.140 19.000 0.457 0.000 1.207 478 A HN 0.361 nan 8.150 nan 0.000 0.495 479 K N -0.060 120.375 120.400 0.059 0.000 2.336 479 K HA 0.101 4.420 4.320 -0.001 0.000 0.262 479 K C 1.124 177.739 176.600 0.025 0.000 0.992 479 K CA 0.430 56.728 56.287 0.019 0.000 0.927 479 K CB 0.391 32.893 32.500 0.002 0.000 0.956 479 K HN 0.770 nan 8.250 nan 0.000 0.495 480 T N 1.489 116.085 114.554 0.071 0.000 2.653 480 T HA -0.214 4.135 4.350 -0.001 0.000 0.268 480 T C 1.652 176.391 174.700 0.066 0.000 1.035 480 T CA 1.914 64.059 62.100 0.075 0.000 1.154 480 T CB -0.428 68.491 68.868 0.086 0.000 0.862 480 T HN 0.690 nan 8.240 nan 0.000 0.441 481 H N 0.572 119.640 119.070 -0.002 0.000 2.495 481 H HA 0.101 4.656 4.556 -0.001 0.000 0.287 481 H C 2.023 177.329 175.328 -0.036 0.000 1.033 481 H CA 0.878 56.918 56.048 -0.014 0.000 1.307 481 H CB -0.754 28.995 29.762 -0.022 0.000 1.401 481 H HN 0.284 nan 8.280 nan 0.000 0.555 482 V N 1.175 120.754 119.914 -0.558 0.000 2.407 482 V HA -0.167 3.953 4.120 -0.001 0.000 0.245 482 V C 3.036 178.954 176.094 -0.293 0.000 1.041 482 V CA 1.087 63.088 62.300 -0.498 0.000 1.040 482 V CB -0.450 31.130 31.823 -0.404 0.000 0.671 482 V HN 0.231 nan 8.190 nan 0.000 0.455 483 V N 0.102 119.976 119.914 -0.066 0.000 2.332 483 V HA -0.252 3.867 4.120 -0.001 0.000 0.248 483 V C 2.471 178.555 176.094 -0.016 0.000 1.055 483 V CA 2.049 64.368 62.300 0.032 0.000 1.038 483 V CB -0.592 31.216 31.823 -0.026 0.000 0.651 483 V HN 0.417 nan 8.190 nan 0.000 0.450 484 V N 0.391 120.302 119.914 -0.005 0.000 2.343 484 V HA -0.312 3.807 4.120 -0.001 0.000 0.247 484 V C 2.307 178.422 176.094 0.036 0.000 1.051 484 V CA 2.452 64.779 62.300 0.044 0.000 1.036 484 V CB -0.723 31.135 31.823 0.057 0.000 0.654 484 V HN 0.646 nan 8.190 nan 0.000 0.451 485 D N -1.021 119.356 120.400 -0.038 0.000 2.097 485 D HA -0.210 4.430 4.640 -0.001 0.000 0.195 485 D C 2.013 178.327 176.300 0.023 0.000 0.989 485 D CA 1.555 55.527 54.000 -0.046 0.000 0.827 485 D CB -0.179 40.536 40.800 -0.143 0.000 0.966 485 D HN 0.484 nan 8.370 nan 0.000 0.456 486 Y N 1.026 121.370 120.300 0.072 0.000 2.165 486 Y HA -0.090 4.459 4.550 -0.001 0.000 0.286 486 Y C 2.456 178.339 175.900 -0.028 0.000 1.155 486 Y CA 1.346 59.485 58.100 0.066 0.000 1.164 486 Y CB -0.834 37.735 38.460 0.181 0.000 0.978 486 Y HN 0.156 nan 8.280 nan 0.000 0.513 487 E N 0.116 120.423 120.200 0.179 0.000 2.051 487 E HA -0.273 4.077 4.350 -0.001 0.000 0.192 487 E C 2.030 178.716 176.600 0.144 0.000 0.991 487 E CA 1.568 58.091 56.400 0.204 0.000 0.799 487 E CB -0.075 29.828 29.700 0.339 0.000 0.748 487 E HN 0.580 nan 8.360 nan 0.000 0.449 488 Q N -0.091 119.778 119.800 0.115 0.000 2.084 488 Q HA -0.165 4.174 4.340 -0.001 0.000 0.202 488 Q C 2.344 178.386 176.000 0.069 0.000 0.978 488 Q CA 1.420 57.274 55.803 0.085 0.000 0.844 488 Q CB -0.089 28.689 28.738 0.067 0.000 0.898 488 Q HN 0.198 nan 8.270 nan 0.000 0.426 489 R N 0.062 120.608 120.500 0.076 0.000 2.081 489 R HA -0.072 4.268 4.340 -0.001 0.000 0.235 489 R C 2.272 178.594 176.300 0.036 0.000 1.131 489 R CA 1.471 57.608 56.100 0.063 0.000 0.960 489 R CB -0.161 30.199 30.300 0.101 0.000 0.856 489 R HN 0.299 nan 8.270 nan 0.000 0.436 490 M N 0.238 119.851 119.600 0.021 0.000 2.229 490 M HA -0.179 4.301 4.480 -0.001 0.000 0.264 490 M C 2.164 178.465 176.300 0.003 0.000 1.063 490 M CA 1.588 56.872 55.300 -0.027 0.000 1.114 490 M CB -0.191 32.338 32.600 -0.119 0.000 1.387 490 M HN 0.215 nan 8.290 nan 0.000 0.420 491 Q N 0.077 119.906 119.800 0.050 0.000 2.050 491 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 491 Q C 1.977 177.992 176.000 0.024 0.000 0.980 491 Q CA 1.109 56.951 55.803 0.064 0.000 0.840 491 Q CB -0.036 28.755 28.738 0.089 0.000 0.898 491 Q HN 0.402 nan 8.270 nan 0.000 0.424 492 E N 0.402 120.612 120.200 0.018 0.000 2.110 492 E HA -0.149 4.200 4.350 -0.001 0.000 0.193 492 E C 1.909 178.499 176.600 -0.017 0.000 0.988 492 E CA 1.111 57.511 56.400 0.001 0.000 0.804 492 E CB -0.239 29.465 29.700 0.006 0.000 0.745 492 E HN 0.353 nan 8.360 nan 0.000 0.458 493 A N 1.083 123.891 122.820 -0.020 0.000 1.902 493 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 493 A C 2.394 179.947 177.584 -0.051 0.000 1.181 493 A CA 1.042 53.057 52.037 -0.037 0.000 0.623 493 A CB -0.686 18.292 19.000 -0.038 0.000 0.818 493 A HN 0.186 nan 8.150 nan 0.000 0.443 494 L N -0.723 120.468 121.223 -0.053 0.000 2.046 494 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 494 L C 2.588 179.390 176.870 -0.114 0.000 1.077 494 L CA 1.683 56.465 54.840 -0.095 0.000 0.747 494 L CB -0.390 41.621 42.059 -0.080 0.000 0.896 494 L HN 0.357 nan 8.230 nan 0.000 0.432 495 K N -0.092 120.266 120.400 -0.071 0.000 2.057 495 K HA -0.144 4.175 4.320 -0.001 0.000 0.207 495 K C 2.237 178.798 176.600 -0.065 0.000 1.049 495 K CA 1.313 57.559 56.287 -0.067 0.000 0.931 495 K CB -0.259 32.215 32.500 -0.042 0.000 0.714 495 K HN 0.288 nan 8.250 nan 0.000 0.440 496 A N 1.139 123.924 122.820 -0.059 0.000 1.902 496 A HA -0.194 4.126 4.320 -0.001 0.000 0.217 496 A C 2.438 179.982 177.584 -0.067 0.000 1.181 496 A CA 1.535 53.536 52.037 -0.060 0.000 0.623 496 A CB -1.008 17.957 19.000 -0.058 0.000 0.818 496 A HN 0.410 nan 8.150 nan 0.000 0.443 497 C N -1.059 118.199 119.300 -0.070 0.000 2.432 497 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 497 C C 2.867 177.827 174.990 -0.050 0.000 1.249 497 C CA 1.275 60.260 59.018 -0.056 0.000 1.725 497 C CB -1.298 26.421 27.740 -0.036 0.000 2.028 497 C HN 0.790 nan 8.230 nan 0.000 0.477 498 Q N 0.195 119.937 119.800 -0.097 0.000 2.061 498 Q HA -0.289 4.051 4.340 -0.001 0.000 0.204 498 Q C 2.172 178.184 176.000 0.020 0.000 0.984 498 Q CA 2.103 57.868 55.803 -0.062 0.000 0.846 498 Q CB -0.275 28.395 28.738 -0.114 0.000 0.902 498 Q HN 0.584 nan 8.270 nan 0.000 0.421 499 M N -0.159 119.433 119.600 -0.013 0.000 2.080 499 M HA -0.144 4.335 4.480 -0.001 0.000 0.260 499 M C 1.873 178.174 176.300 0.001 0.000 1.068 499 M CA 1.591 56.892 55.300 0.002 0.000 1.109 499 M CB -0.502 32.083 32.600 -0.026 0.000 1.342 499 M HN 0.141 nan 8.290 nan 0.000 0.405 500 V N 0.172 120.053 119.914 -0.055 0.000 2.343 500 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 500 V C 2.429 178.491 176.094 -0.054 0.000 1.051 500 V CA 2.181 64.403 62.300 -0.130 0.000 1.036 500 V CB -0.711 31.011 31.823 -0.167 0.000 0.654 500 V HN 0.555 nan 8.190 nan 0.000 0.451 501 M N 0.274 119.901 119.600 0.045 0.000 2.080 501 M HA -0.270 4.210 4.480 -0.001 0.000 0.260 501 M C 2.392 178.769 176.300 0.127 0.000 1.068 501 M CA 2.481 57.864 55.300 0.139 0.000 1.109 501 M CB -0.490 32.308 32.600 0.331 0.000 1.342 501 M HN 0.550 nan 8.290 nan 0.000 0.405 502 Q N -0.181 119.761 119.800 0.236 0.000 2.123 502 Q HA -0.131 4.208 4.340 -0.001 0.000 0.199 502 Q C 1.823 178.003 176.000 0.300 0.000 0.966 502 Q CA 1.164 57.126 55.803 0.266 0.000 0.845 502 Q CB -0.655 28.331 28.738 0.413 0.000 0.907 502 Q HN 0.413 nan 8.270 nan 0.000 0.439 503 Q N 0.598 120.564 119.800 0.277 0.000 2.135 503 Q HA -0.090 4.249 4.340 -0.001 0.000 0.204 503 Q C 2.273 178.522 176.000 0.416 0.000 0.981 503 Q CA 1.766 57.802 55.803 0.388 0.000 0.856 503 Q CB -0.248 28.634 28.738 0.240 0.000 0.902 503 Q HN 0.513 nan 8.270 nan 0.000 0.425 504 S N 0.322 116.160 115.700 0.230 0.000 2.368 504 S HA -0.083 4.387 4.470 -0.001 0.000 0.224 504 S C 2.228 176.879 174.600 0.087 0.000 1.029 504 S CA 1.007 59.387 58.200 0.300 0.000 0.988 504 S CB -0.206 63.108 63.200 0.190 0.000 0.838 504 S HN 0.133 nan 8.310 nan 0.000 0.462 505 V N 0.948 120.786 119.914 -0.126 0.000 2.332 505 V HA -0.206 3.914 4.120 -0.001 0.000 0.248 505 V C 2.025 178.095 176.094 -0.040 0.000 1.055 505 V CA 1.938 64.038 62.300 -0.333 0.000 1.038 505 V CB -0.798 30.413 31.823 -1.021 0.000 0.651 505 V HN 0.562 nan 8.190 nan 0.000 0.450 506 Y N 1.260 121.610 120.300 0.083 0.000 2.165 506 Y HA -0.251 4.298 4.550 -0.001 0.000 0.286 506 Y C 2.728 178.710 175.900 0.136 0.000 1.155 506 Y CA 2.206 60.440 58.100 0.224 0.000 1.164 506 Y CB -0.350 38.151 38.460 0.068 0.000 0.978 506 Y HN 0.095 nan 8.280 nan 0.000 0.513 507 R N -0.174 120.243 120.500 -0.138 0.000 2.090 507 R HA -0.086 4.254 4.340 -0.001 0.000 0.228 507 R C 2.144 178.145 176.300 -0.498 0.000 1.110 507 R CA 1.538 57.221 56.100 -0.696 0.000 0.973 507 R CB -0.351 29.542 30.300 -0.679 0.000 0.869 507 R HN 0.449 nan 8.270 nan 0.000 0.440 508 L N 0.245 121.316 121.223 -0.253 0.000 2.291 508 L HA -0.051 4.289 4.340 -0.001 0.000 0.214 508 L C 1.391 178.146 176.870 -0.191 0.000 1.120 508 L CA 0.754 55.406 54.840 -0.313 0.000 0.799 508 L CB 0.150 41.864 42.059 -0.575 0.000 0.925 508 L HN 0.233 nan 8.230 nan 0.000 0.446 509 L N -1.361 119.846 121.223 -0.027 0.000 3.122 509 L HA 0.223 4.562 4.340 -0.001 0.000 0.274 509 L C -0.198 176.760 176.870 0.147 0.000 1.222 509 L CA -0.095 54.823 54.840 0.132 0.000 1.028 509 L CB 0.585 42.867 42.059 0.370 0.000 1.386 509 L HN -0.010 nan 8.230 nan 0.000 0.578 510 T N 0.113 114.671 114.554 0.008 0.000 2.829 510 T HA 0.185 4.534 4.350 -0.001 0.000 0.280 510 T C -0.128 174.511 174.700 -0.102 0.000 0.999 510 T CA -0.559 61.532 62.100 -0.017 0.000 0.983 510 T CB 2.366 71.206 68.868 -0.048 0.000 0.968 510 T HN 0.008 nan 8.240 nan 0.000 0.446 511 K N 3.866 124.218 120.400 -0.080 0.000 2.473 511 K HA -0.020 4.300 4.320 -0.001 0.000 0.277 511 K C -1.717 174.856 176.600 -0.046 0.000 1.052 511 K CA -1.042 55.205 56.287 -0.067 0.000 1.114 511 K CB 0.413 32.879 32.500 -0.056 0.000 0.869 511 K HN 0.180 nan 8.250 nan 0.000 0.481 512 P HA -0.212 nan 4.420 nan 0.000 0.216 512 P C 0.787 178.097 177.300 0.017 0.000 1.150 512 P CA 1.523 64.595 63.100 -0.046 0.000 0.843 512 P CB 0.162 31.830 31.700 -0.053 0.000 0.787 513 S N -2.288 113.416 115.700 0.007 0.000 2.607 513 S HA 0.053 4.522 4.470 -0.001 0.000 0.224 513 S C 1.667 176.282 174.600 0.025 0.000 0.969 513 S CA 0.470 58.679 58.200 0.015 0.000 0.927 513 S CB -1.094 62.107 63.200 0.002 0.000 0.772 513 S HN 0.106 nan 8.310 nan 0.000 0.533 514 I N -0.730 119.862 120.570 0.037 0.000 3.339 514 I HA 0.199 4.368 4.170 -0.001 0.000 0.285 514 I C 0.652 176.822 176.117 0.089 0.000 1.201 514 I CA -0.375 60.956 61.300 0.052 0.000 1.434 514 I CB -0.108 37.919 38.000 0.045 0.000 1.152 514 I HN 0.257 nan 8.210 nan 0.000 0.443 515 Y N 2.796 123.051 120.300 -0.075 0.000 2.865 515 Y HA -0.072 4.478 4.550 -0.001 0.000 0.338 515 Y C 0.471 176.351 175.900 -0.034 0.000 1.269 515 Y CA 0.101 58.116 58.100 -0.143 0.000 1.585 515 Y CB 0.383 38.687 38.460 -0.259 0.000 1.224 515 Y HN -0.112 nan 8.280 nan 0.000 0.554 516 S N 8.709 124.220 115.700 -0.315 0.000 2.293 516 S HA 0.349 4.819 4.470 -0.001 0.000 0.154 516 S C -2.860 171.566 174.600 -0.289 0.000 1.602 516 S CA -1.175 56.852 58.200 -0.289 0.000 1.260 516 S CB -0.089 63.058 63.200 -0.089 0.000 1.270 516 S HN 0.654 nan 8.310 nan 0.000 0.416 517 P HA 0.338 nan 4.420 nan 0.000 0.280 517 P C -1.150 175.902 177.300 -0.413 0.000 1.244 517 P CA -0.197 62.681 63.100 -0.370 0.000 0.784 517 P CB 0.883 32.265 31.700 -0.530 0.000 0.913 518 D N 2.311 122.648 120.400 -0.105 0.000 2.392 518 D HA 0.152 4.791 4.640 -0.001 0.000 0.228 518 D C 0.208 176.535 176.300 0.045 0.000 1.074 518 D CA -0.686 53.234 54.000 -0.133 0.000 0.838 518 D CB 0.254 41.001 40.800 -0.089 0.000 1.067 518 D HN 0.053 nan 8.370 nan 0.000 0.511 519 F N 1.654 121.716 119.950 0.187 0.000 2.699 519 F HA -0.040 4.487 4.527 -0.001 0.000 0.298 519 F C 2.425 178.299 175.800 0.124 0.000 1.154 519 F CA 0.486 58.598 58.000 0.187 0.000 1.457 519 F CB -0.380 38.712 39.000 0.153 0.000 1.106 519 F HN 0.374 nan 8.300 nan 0.000 0.585 520 S N -1.655 114.185 115.700 0.233 0.000 2.535 520 S HA 0.093 4.563 4.470 -0.001 0.000 0.214 520 S C 0.392 175.039 174.600 0.078 0.000 0.980 520 S CA -0.385 57.894 58.200 0.132 0.000 0.907 520 S CB -0.631 62.625 63.200 0.094 0.000 0.790 520 S HN 0.100 nan 8.310 nan 0.000 0.510 521 F N 2.991 122.875 119.950 -0.110 0.000 2.375 521 F HA 0.597 5.124 4.527 -0.001 0.000 0.333 521 F C 0.402 175.984 175.800 -0.362 0.000 1.104 521 F CA -0.854 56.951 58.000 -0.324 0.000 1.149 521 F CB 1.642 40.291 39.000 -0.585 0.000 1.190 521 F HN 0.062 nan 8.300 nan 0.000 0.533 522 S N 5.079 119.991 115.700 -1.313 0.000 2.464 522 S HA 0.207 4.677 4.470 -0.001 0.000 0.313 522 S C 0.432 174.316 174.600 -1.194 0.000 1.078 522 S CA -0.391 57.253 58.200 -0.928 0.000 1.096 522 S CB -0.351 62.462 63.200 -0.644 0.000 1.032 522 S HN 0.653 nan 8.310 nan 0.000 0.498 523 Y N 3.993 124.018 120.300 -0.458 0.000 2.337 523 Y HA 0.268 4.818 4.550 -0.001 0.000 0.293 523 Y C 0.290 175.654 175.900 -0.892 0.000 1.123 523 Y CA 0.629 58.382 58.100 -0.579 0.000 1.201 523 Y CB 0.181 38.397 38.460 -0.407 0.000 1.011 523 Y HN 0.595 nan 8.280 nan 0.000 0.545 524 F N -1.272 118.633 119.950 -0.076 0.000 2.599 524 F HA 0.458 4.985 4.527 -0.001 0.000 0.311 524 F C -0.059 175.761 175.800 0.033 0.000 1.076 524 F CA -1.515 56.504 58.000 0.031 0.000 0.937 524 F CB 1.611 40.770 39.000 0.266 0.000 1.282 524 F HN -0.396 nan 8.300 nan 0.000 0.460 525 T N 0.191 114.886 114.554 0.234 0.000 2.855 525 T HA 0.715 5.065 4.350 -0.001 0.000 0.281 525 T C -0.587 174.202 174.700 0.148 0.000 1.007 525 T CA -0.823 61.355 62.100 0.130 0.000 1.009 525 T CB 1.227 70.112 68.868 0.028 0.000 0.983 525 T HN 0.509 nan 8.240 nan 0.000 0.455 526 L N 1.955 123.182 121.223 0.005 0.000 2.397 526 L HA 0.422 4.762 4.340 -0.001 0.000 0.271 526 L C 0.117 176.950 176.870 -0.060 0.000 1.148 526 L CA -0.290 54.463 54.840 -0.145 0.000 0.825 526 L CB 0.697 42.599 42.059 -0.261 0.000 1.117 526 L HN 0.808 nan 8.230 nan 0.000 0.456 527 D N 1.483 121.850 120.400 -0.055 0.000 2.492 527 D HA 0.229 4.868 4.640 -0.001 0.000 0.248 527 D C -1.293 174.946 176.300 -0.102 0.000 1.101 527 D CA -0.379 53.588 54.000 -0.054 0.000 0.840 527 D CB 1.173 41.980 40.800 0.011 0.000 1.209 527 D HN 0.288 nan 8.370 nan 0.000 0.524 528 D N 2.353 122.703 120.400 -0.084 0.000 2.549 528 D HA 0.193 4.833 4.640 -0.001 0.000 0.251 528 D C 0.062 176.310 176.300 -0.086 0.000 1.153 528 D CA -0.458 53.525 54.000 -0.030 0.000 0.861 528 D CB 1.932 42.801 40.800 0.116 0.000 1.207 528 D HN 0.255 nan 8.370 nan 0.000 0.543 529 S N 2.608 118.234 115.700 -0.122 0.000 2.489 529 S HA 0.029 4.498 4.470 -0.001 0.000 0.228 529 S C 1.345 175.907 174.600 -0.062 0.000 0.995 529 S CA 0.524 58.643 58.200 -0.135 0.000 0.934 529 S CB 0.388 63.499 63.200 -0.149 0.000 0.771 529 S HN 0.489 nan 8.310 nan 0.000 0.522 530 R N -0.592 119.904 120.500 -0.007 0.000 2.535 530 R HA 0.228 4.568 4.340 -0.001 0.000 0.323 530 R C -0.714 175.673 176.300 0.145 0.000 0.979 530 R CA -0.105 56.016 56.100 0.035 0.000 1.120 530 R CB 0.794 31.104 30.300 0.017 0.000 1.306 530 R HN 0.335 nan 8.270 nan 0.000 0.540 531 W N 1.339 122.601 121.300 -0.063 0.000 3.405 531 W HA 0.282 4.942 4.660 -0.001 0.000 0.329 531 W C -2.874 173.616 176.519 -0.049 0.000 1.142 531 W CA -1.898 55.409 57.345 -0.063 0.000 1.235 531 W CB 1.775 31.210 29.460 -0.042 0.000 1.341 531 W HN -0.190 nan 8.180 nan 0.000 0.481 532 P HA 0.095 nan 4.420 nan 0.000 0.226 532 P C 0.366 177.313 177.300 -0.588 0.000 1.153 532 P CA 1.741 64.004 63.100 -1.394 0.000 0.777 532 P CB 0.285 31.382 31.700 -1.004 0.000 0.794 533 G N -1.148 107.473 108.800 -0.298 0.000 2.617 533 G HA2 -0.075 3.884 3.960 -0.001 0.000 0.686 533 G HA3 -0.075 3.884 3.960 -0.001 0.000 0.686 533 G C -0.474 174.366 174.900 -0.099 0.000 1.214 533 G CA -0.528 44.486 45.100 -0.143 0.000 0.796 533 G HN 0.072 nan 8.290 nan 0.000 0.654 534 S N 0.186 115.867 115.700 -0.032 0.000 2.544 534 S HA 0.500 4.970 4.470 -0.001 0.000 0.290 534 S C 1.848 176.447 174.600 -0.002 0.000 1.276 534 S CA 2.075 60.288 58.200 0.021 0.000 1.075 534 S CB 0.095 63.346 63.200 0.084 0.000 0.849 534 S HN 2.684 nan 8.310 nan 0.000 0.494 535 G N 2.866 111.663 108.800 -0.004 0.000 2.176 535 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.253 535 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.253 535 G C 0.594 175.466 174.900 -0.048 0.000 0.979 535 G CA 0.361 45.448 45.100 -0.023 0.000 0.641 535 G HN 0.838 nan 8.290 nan 0.000 0.530 536 V N -0.828 119.041 119.914 -0.074 0.000 2.743 536 V HA 0.496 4.615 4.120 -0.001 0.000 0.237 536 V C 0.834 176.865 176.094 -0.105 0.000 1.113 536 V CA 1.799 64.039 62.300 -0.099 0.000 1.141 536 V CB 0.831 32.563 31.823 -0.152 0.000 0.873 536 V HN 0.304 nan 8.190 nan 0.000 0.486 537 E N -0.296 119.831 120.200 -0.120 0.000 2.331 537 E HA 0.338 4.687 4.350 -0.001 0.000 0.275 537 E C -1.546 175.017 176.600 -0.063 0.000 0.895 537 E CA -0.470 55.871 56.400 -0.099 0.000 0.753 537 E CB 1.669 31.282 29.700 -0.144 0.000 1.216 537 E HN 0.085 nan 8.360 nan 0.000 0.434 538 D N 1.683 122.065 120.400 -0.029 0.000 2.453 538 D HA 0.138 4.777 4.640 -0.001 0.000 0.223 538 D C 0.046 176.341 176.300 -0.009 0.000 1.183 538 D CA 0.244 54.246 54.000 0.003 0.000 0.933 538 D CB 0.373 41.186 40.800 0.022 0.000 1.038 538 D HN 0.406 nan 8.370 nan 0.000 0.513 539 S N 2.476 118.161 115.700 -0.025 0.000 2.589 539 S HA 0.202 4.672 4.470 -0.001 0.000 0.235 539 S C 0.880 175.459 174.600 -0.035 0.000 1.051 539 S CA -0.446 57.730 58.200 -0.041 0.000 0.978 539 S CB 0.689 63.843 63.200 -0.076 0.000 0.929 539 S HN 0.203 nan 8.310 nan 0.000 0.523 540 R N 2.961 123.436 120.500 -0.041 0.000 2.390 540 R HA 0.420 4.760 4.340 -0.001 0.000 0.291 540 R C -0.072 176.238 176.300 0.017 0.000 1.070 540 R CA 0.183 56.236 56.100 -0.078 0.000 1.014 540 R CB 0.843 30.969 30.300 -0.290 0.000 1.007 540 R HN 0.477 nan 8.270 nan 0.000 0.466 541 T N -0.575 113.995 114.554 0.027 0.000 2.869 541 T HA 0.166 4.515 4.350 -0.001 0.000 0.295 541 T C 0.287 175.079 174.700 0.154 0.000 0.987 541 T CA -0.706 61.442 62.100 0.081 0.000 1.109 541 T CB 1.298 70.205 68.868 0.064 0.000 0.932 541 T HN 0.341 nan 8.240 nan 0.000 0.518 542 T N 4.136 118.796 114.554 0.178 0.000 2.817 542 T HA 0.354 4.704 4.350 -0.001 0.000 0.293 542 T C 0.574 175.376 174.700 0.170 0.000 0.964 542 T CA -0.506 61.725 62.100 0.217 0.000 1.085 542 T CB 0.128 69.091 68.868 0.158 0.000 0.921 542 T HN 0.578 nan 8.240 nan 0.000 0.502 543 I N 4.549 125.239 120.570 0.199 0.000 2.505 543 I HA 0.112 4.281 4.170 -0.001 0.000 0.287 543 I C 0.169 176.370 176.117 0.139 0.000 1.104 543 I CA -0.230 61.166 61.300 0.161 0.000 1.387 543 I CB 0.242 38.340 38.000 0.163 0.000 1.404 543 I HN 0.364 nan 8.210 nan 0.000 0.528 544 I N 8.328 128.966 120.570 0.113 0.000 2.297 544 I HA 0.354 4.524 4.170 -0.001 0.000 0.291 544 I C 0.029 176.206 176.117 0.099 0.000 1.033 544 I CA -0.126 61.233 61.300 0.098 0.000 1.253 544 I CB 0.267 38.313 38.000 0.075 0.000 1.396 544 I HN 0.432 nan 8.210 nan 0.000 0.476 545 L N 5.214 126.500 121.223 0.105 0.000 2.323 545 L HA 0.991 5.331 4.340 -0.001 0.000 0.265 545 L C 0.251 177.178 176.870 0.095 0.000 1.012 545 L CA -0.624 54.278 54.840 0.103 0.000 0.820 545 L CB 2.421 44.548 42.059 0.113 0.000 1.334 545 L HN 0.718 nan 8.230 nan 0.000 0.427 546 G N -0.145 108.708 108.800 0.088 0.000 2.473 546 G HA2 0.105 4.064 3.960 -0.001 0.000 0.298 546 G HA3 0.105 4.064 3.960 -0.001 0.000 0.298 546 G C -0.224 174.719 174.900 0.071 0.000 1.575 546 G CA -0.461 44.688 45.100 0.082 0.000 0.846 546 G HN 0.687 nan 8.290 nan 0.000 0.585 547 E N -0.211 120.029 120.200 0.067 0.000 2.160 547 E HA -0.146 4.203 4.350 -0.001 0.000 0.195 547 E C 0.626 177.254 176.600 0.048 0.000 0.991 547 E CA 1.442 57.875 56.400 0.055 0.000 0.810 547 E CB 0.157 29.887 29.700 0.049 0.000 0.742 547 E HN 0.437 nan 8.360 nan 0.000 0.466 548 D N -0.372 120.056 120.400 0.047 0.000 2.388 548 D HA 0.126 4.765 4.640 -0.001 0.000 0.221 548 D C 1.094 177.420 176.300 0.042 0.000 1.133 548 D CA 0.089 54.113 54.000 0.040 0.000 0.831 548 D CB 0.895 41.717 40.800 0.035 0.000 0.962 548 D HN 0.319 nan 8.370 nan 0.000 0.502 549 I N -0.883 119.717 120.570 0.050 0.000 4.420 549 I HA 0.127 4.296 4.170 -0.001 0.000 0.292 549 I C -1.370 174.783 176.117 0.060 0.000 1.153 549 I CA 0.064 61.395 61.300 0.051 0.000 1.315 549 I CB 1.286 39.317 38.000 0.051 0.000 1.616 549 I HN -0.172 nan 8.210 nan 0.000 0.450 550 L N 1.971 123.236 121.223 0.069 0.000 2.795 550 L HA 0.456 4.795 4.340 -0.001 0.000 0.260 550 L C -2.527 174.396 176.870 0.088 0.000 0.935 550 L CA -0.844 54.045 54.840 0.082 0.000 0.985 550 L CB 1.688 43.802 42.059 0.092 0.000 1.433 550 L HN -0.155 nan 8.230 nan 0.000 0.447 551 P HA 0.078 nan 4.420 nan 0.000 0.224 551 P C -0.185 177.172 177.300 0.095 0.000 1.157 551 P CA 0.798 63.949 63.100 0.084 0.000 0.799 551 P CB 0.422 32.165 31.700 0.072 0.000 0.809 552 S N -2.082 113.687 115.700 0.114 0.000 2.596 552 S HA 0.718 5.188 4.470 -0.001 0.000 0.270 552 S C -1.299 173.408 174.600 0.178 0.000 1.155 552 S CA -0.732 57.544 58.200 0.126 0.000 0.827 552 S CB 2.475 65.742 63.200 0.112 0.000 1.130 552 S HN -0.120 nan 8.310 nan 0.000 0.467 553 K N 0.653 121.166 120.400 0.189 0.000 2.535 553 K HA 0.556 4.875 4.320 -0.001 0.000 0.251 553 K C -1.987 174.790 176.600 0.296 0.000 0.942 553 K CA -0.237 56.208 56.287 0.263 0.000 0.798 553 K CB 0.875 33.486 32.500 0.185 0.000 1.267 553 K HN 0.840 nan 8.250 nan 0.000 0.434 554 H N 0.990 120.211 119.070 0.251 0.000 2.610 554 H HA 0.409 4.964 4.556 -0.001 0.000 0.336 554 H C -0.137 175.422 175.328 0.385 0.000 1.087 554 H CA -0.106 56.138 56.048 0.328 0.000 1.405 554 H CB 0.918 30.961 29.762 0.467 0.000 1.460 554 H HN 0.395 nan 8.280 nan 0.000 0.538 555 V N 1.094 121.258 119.914 0.416 0.000 2.914 555 V HA 0.784 4.903 4.120 -0.001 0.000 0.314 555 V C -0.667 175.760 176.094 0.554 0.000 1.084 555 V CA -0.872 61.672 62.300 0.407 0.000 0.963 555 V CB 2.113 33.923 31.823 -0.021 0.000 1.025 555 V HN 0.456 nan 8.190 nan 0.000 0.432 556 V N 3.940 124.206 119.914 0.587 0.000 2.638 556 V HA 0.621 4.740 4.120 -0.001 0.000 0.306 556 V C -0.451 176.001 176.094 0.598 0.000 1.052 556 V CA -0.381 62.229 62.300 0.518 0.000 0.885 556 V CB 1.831 33.809 31.823 0.258 0.000 0.999 556 V HN 0.945 nan 8.190 nan 0.000 0.424 557 M N 4.114 124.035 119.600 0.535 0.000 2.336 557 M HA 0.488 4.967 4.480 -0.001 0.000 0.342 557 M C -0.478 176.096 176.300 0.456 0.000 1.128 557 M CA -0.232 55.359 55.300 0.484 0.000 1.016 557 M CB 1.133 33.964 32.600 0.384 0.000 1.665 557 M HN 0.751 nan 8.290 nan 0.000 0.445 558 H N 2.018 121.315 119.070 0.379 0.000 2.469 558 H HA 0.477 5.032 4.556 -0.001 0.000 0.342 558 H C -1.341 174.120 175.328 0.221 0.000 1.115 558 H CA -0.577 55.657 56.048 0.309 0.000 1.204 558 H CB 1.186 31.200 29.762 0.420 0.000 1.492 558 H HN 0.648 nan 8.280 nan 0.000 0.499 559 N N 3.111 121.582 118.700 -0.381 0.000 2.569 559 N HA 0.039 4.779 4.740 -0.001 0.000 0.254 559 N C 0.341 175.524 175.510 -0.545 0.000 1.004 559 N CA -0.299 52.537 53.050 -0.357 0.000 0.904 559 N CB 1.561 39.944 38.487 -0.175 0.000 1.165 559 N HN 0.636 nan 8.380 nan 0.000 0.513 560 T N 2.865 117.146 114.554 -0.457 0.000 3.035 560 T HA 0.155 4.505 4.350 -0.001 0.000 0.268 560 T C 0.695 175.357 174.700 -0.063 0.000 1.109 560 T CA 0.525 62.523 62.100 -0.171 0.000 1.119 560 T CB -0.232 68.673 68.868 0.062 0.000 0.900 560 T HN 0.416 nan 8.240 nan 0.000 0.503 561 L N 2.772 123.906 121.223 -0.147 0.000 2.417 561 L HA 0.306 4.645 4.340 -0.001 0.000 0.268 561 L C -1.612 175.121 176.870 -0.229 0.000 1.158 561 L CA -1.901 52.818 54.840 -0.200 0.000 0.819 561 L CB 0.663 42.478 42.059 -0.407 0.000 1.112 561 L HN -0.041 nan 8.230 nan 0.000 0.458 562 P HA 0.053 nan 4.420 nan 0.000 0.243 562 P C -0.951 176.373 177.300 0.039 0.000 1.668 562 P CA 0.313 63.406 63.100 -0.012 0.000 0.898 562 P CB -0.358 31.390 31.700 0.080 0.000 1.637 563 H N -3.166 115.925 119.070 0.035 0.000 2.961 563 H HA 0.246 4.802 4.556 -0.001 0.000 0.371 563 H C -0.993 174.362 175.328 0.046 0.000 1.190 563 H CA -1.090 54.999 56.048 0.069 0.000 1.138 563 H CB 0.035 29.866 29.762 0.115 0.000 1.816 563 H HN -0.131 nan 8.280 nan 0.000 0.551 564 W N 1.727 123.137 121.300 0.184 0.000 2.257 564 W HA 0.204 4.864 4.660 -0.001 0.000 0.337 564 W C 0.906 177.532 176.519 0.178 0.000 1.321 564 W CA 0.462 57.882 57.345 0.125 0.000 1.267 564 W CB 0.420 29.938 29.460 0.097 0.000 1.187 564 W HN 0.508 nan 8.180 nan 0.000 0.565 565 R N 2.325 123.025 120.500 0.334 0.000 2.604 565 R HA 0.296 4.635 4.340 -0.001 0.000 0.281 565 R C -1.060 175.373 176.300 0.221 0.000 1.020 565 R CA -0.668 55.583 56.100 0.251 0.000 0.899 565 R CB 1.393 31.770 30.300 0.128 0.000 1.205 565 R HN 0.496 nan 8.270 nan 0.000 0.450 566 E N 2.488 122.796 120.200 0.179 0.000 2.191 566 E HA 0.252 4.602 4.350 -0.001 0.000 0.274 566 E C -1.226 175.422 176.600 0.079 0.000 0.948 566 E CA -0.760 55.722 56.400 0.137 0.000 0.802 566 E CB 2.366 32.140 29.700 0.124 0.000 1.137 566 E HN 0.397 nan 8.360 nan 0.000 0.397 567 Q N 2.975 122.800 119.800 0.041 0.000 2.386 567 Q HA 0.253 4.592 4.340 -0.001 0.000 0.274 567 Q C -1.493 174.466 176.000 -0.067 0.000 1.011 567 Q CA -0.605 55.192 55.803 -0.010 0.000 0.867 567 Q CB 1.461 30.184 28.738 -0.025 0.000 1.409 567 Q HN 0.550 nan 8.270 nan 0.000 0.395 568 L N 3.312 124.489 121.223 -0.077 0.000 2.453 568 L HA 0.326 4.666 4.340 -0.001 0.000 0.272 568 L C 0.235 176.970 176.870 -0.224 0.000 1.182 568 L CA -0.288 54.468 54.840 -0.139 0.000 0.858 568 L CB 0.537 42.550 42.059 -0.077 0.000 1.120 568 L HN 0.471 nan 8.230 nan 0.000 0.474 569 V N -0.453 119.222 119.914 -0.399 0.000 2.914 569 V HA 0.722 4.841 4.120 -0.001 0.000 0.314 569 V C -0.923 174.896 176.094 -0.458 0.000 1.084 569 V CA -0.856 61.165 62.300 -0.465 0.000 0.963 569 V CB 2.186 33.684 31.823 -0.542 0.000 1.025 569 V HN 0.797 nan 8.190 nan 0.000 0.432 570 D N 1.380 121.506 120.400 -0.456 0.000 2.671 570 D HA 0.623 5.262 4.640 -0.001 0.000 0.232 570 D C -1.401 174.598 176.300 -0.502 0.000 1.114 570 D CA -0.399 53.444 54.000 -0.261 0.000 0.858 570 D CB 2.363 43.110 40.800 -0.087 0.000 1.544 570 D HN 0.449 nan 8.370 nan 0.000 0.471 571 F N -0.024 119.991 119.950 0.109 0.000 2.588 571 F HA 0.345 4.872 4.527 -0.001 0.000 0.314 571 F C -0.513 175.450 175.800 0.270 0.000 1.069 571 F CA -1.051 57.027 58.000 0.131 0.000 0.931 571 F CB 1.578 40.693 39.000 0.191 0.000 1.260 571 F HN 0.147 nan 8.300 nan 0.000 0.465 572 Y N 2.174 122.631 120.300 0.260 0.000 2.319 572 Y HA 0.545 5.095 4.550 -0.001 0.000 0.328 572 Y C 0.216 176.236 175.900 0.201 0.000 1.133 572 Y CA -1.437 56.767 58.100 0.174 0.000 1.265 572 Y CB 0.845 39.361 38.460 0.093 0.000 1.218 572 Y HN 0.340 nan 8.280 nan 0.000 0.508 573 V N -0.406 119.704 119.914 0.327 0.000 2.962 573 V HA 0.561 4.681 4.120 -0.001 0.000 0.313 573 V C 0.328 176.552 176.094 0.218 0.000 1.099 573 V CA -0.766 61.687 62.300 0.255 0.000 0.971 573 V CB 1.711 33.685 31.823 0.252 0.000 1.028 573 V HN 0.664 nan 8.190 nan 0.000 0.430 574 S N 0.265 116.074 115.700 0.183 0.000 2.593 574 S HA 0.274 4.743 4.470 -0.001 0.000 0.217 574 S C 0.644 175.378 174.600 0.224 0.000 0.966 574 S CA 0.465 58.760 58.200 0.159 0.000 0.914 574 S CB -0.263 63.003 63.200 0.111 0.000 0.776 574 S HN 1.494 nan 8.310 nan 0.000 0.523 575 S N 1.197 117.037 115.700 0.233 0.000 2.541 575 S HA 0.584 5.054 4.470 -0.001 0.000 0.271 575 S C -2.636 171.896 174.600 -0.113 0.000 1.133 575 S CA -1.338 56.902 58.200 0.068 0.000 0.876 575 S CB 1.928 65.166 63.200 0.063 0.000 1.105 575 S HN 0.014 nan 8.310 nan 0.000 0.470 576 P HA 0.192 nan 4.420 nan 0.000 0.236 576 P C -0.168 176.991 177.300 -0.235 0.000 1.177 576 P CA 0.343 63.076 63.100 -0.612 0.000 0.773 576 P CB -0.176 30.863 31.700 -1.101 0.000 0.878 577 F N 0.845 120.814 119.950 0.032 0.000 2.509 577 F HA 0.254 4.781 4.527 -0.001 0.000 0.344 577 F C 0.488 176.337 175.800 0.081 0.000 1.197 577 F CA -1.088 56.958 58.000 0.077 0.000 1.294 577 F CB -0.202 38.810 39.000 0.020 0.000 1.643 577 F HN -0.330 nan 8.300 nan 0.000 0.596 578 V N 0.549 120.599 119.914 0.228 0.000 2.656 578 V HA 0.563 4.683 4.120 -0.001 0.000 0.307 578 V C -0.152 176.011 176.094 0.115 0.000 1.051 578 V CA -0.707 61.685 62.300 0.153 0.000 0.893 578 V CB 2.243 34.148 31.823 0.137 0.000 0.999 578 V HN 0.418 nan 8.190 nan 0.000 0.426 579 S N 2.400 118.150 115.700 0.082 0.000 2.568 579 S HA 0.792 5.261 4.470 -0.001 0.000 0.302 579 S C -0.629 173.959 174.600 -0.020 0.000 1.082 579 S CA -0.620 57.608 58.200 0.048 0.000 1.009 579 S CB 2.119 65.357 63.200 0.063 0.000 1.069 579 S HN 0.471 nan 8.310 nan 0.000 0.500 580 V N 2.485 122.350 119.914 -0.082 0.000 2.513 580 V HA 0.739 4.858 4.120 -0.001 0.000 0.299 580 V C 0.078 176.085 176.094 -0.145 0.000 1.035 580 V CA -0.659 61.513 62.300 -0.214 0.000 0.889 580 V CB 1.633 33.143 31.823 -0.521 0.000 0.988 580 V HN 1.063 nan 8.190 nan 0.000 0.440 581 T N -0.327 114.161 114.554 -0.110 0.000 2.906 581 T HA 0.653 5.003 4.350 -0.001 0.000 0.295 581 T C -0.780 173.907 174.700 -0.021 0.000 1.061 581 T CA -0.912 61.148 62.100 -0.067 0.000 1.000 581 T CB 2.068 70.889 68.868 -0.078 0.000 1.103 581 T HN 0.711 nan 8.240 nan 0.000 0.486 582 D N 0.763 121.128 120.400 -0.058 0.000 2.478 582 D HA 0.218 4.857 4.640 -0.001 0.000 0.269 582 D C 0.816 176.985 176.300 -0.218 0.000 1.232 582 D CA -1.155 52.700 54.000 -0.242 0.000 1.059 582 D CB 0.310 40.968 40.800 -0.238 0.000 1.104 582 D HN 0.328 nan 8.370 nan 0.000 0.566 583 L N -0.669 120.405 121.223 -0.248 0.000 2.599 583 L HA 0.300 4.640 4.340 -0.001 0.000 0.230 583 L C 1.655 178.451 176.870 -0.122 0.000 1.141 583 L CA 0.536 55.272 54.840 -0.174 0.000 0.877 583 L CB -0.831 41.131 42.059 -0.163 0.000 1.009 583 L HN 0.632 nan 8.230 nan 0.000 0.447 584 A N -1.233 121.521 122.820 -0.111 0.000 2.379 584 A HA 0.146 4.465 4.320 -0.001 0.000 0.236 584 A C 1.124 178.665 177.584 -0.071 0.000 1.272 584 A CA 0.036 52.025 52.037 -0.080 0.000 0.886 584 A CB -0.402 18.557 19.000 -0.068 0.000 0.962 584 A HN 0.461 nan 8.150 nan 0.000 0.504 585 N N 0.156 118.807 118.700 -0.082 0.000 2.782 585 N HA -0.128 4.611 4.740 -0.001 0.000 0.251 585 N C -1.016 174.453 175.510 -0.068 0.000 1.101 585 N CA 0.654 53.662 53.050 -0.069 0.000 0.764 585 N CB -1.290 37.166 38.487 -0.051 0.000 1.122 585 N HN 0.608 nan 8.380 nan 0.000 0.561 586 N N 1.539 120.195 118.700 -0.073 0.000 2.497 586 N HA 0.243 4.983 4.740 -0.001 0.000 0.271 586 N C -2.406 173.040 175.510 -0.105 0.000 1.142 586 N CA -0.667 52.336 53.050 -0.078 0.000 0.965 586 N CB 0.588 39.040 38.487 -0.059 0.000 1.077 586 N HN 0.138 nan 8.380 nan 0.000 0.462 587 P HA 0.047 nan 4.420 nan 0.000 0.266 587 P C -0.454 176.718 177.300 -0.215 0.000 1.195 587 P CA -0.025 62.899 63.100 -0.293 0.000 0.768 587 P CB 0.691 31.939 31.700 -0.753 0.000 0.838 588 V N 2.578 122.409 119.914 -0.139 0.000 2.487 588 V HA 0.217 4.337 4.120 -0.001 0.000 0.298 588 V C 0.385 176.473 176.094 -0.011 0.000 1.028 588 V CA -0.800 61.475 62.300 -0.042 0.000 0.860 588 V CB 1.472 33.286 31.823 -0.015 0.000 0.991 588 V HN 0.534 nan 8.190 nan 0.000 0.427 589 E N 2.830 123.064 120.200 0.055 0.000 2.414 589 E HA 0.479 4.829 4.350 -0.001 0.000 0.263 589 E C -0.250 176.419 176.600 0.115 0.000 1.000 589 E CA 0.078 56.540 56.400 0.104 0.000 0.914 589 E CB 0.939 30.705 29.700 0.110 0.000 0.948 589 E HN 0.884 nan 8.360 nan 0.000 0.444 590 A N 4.205 127.083 122.820 0.096 0.000 2.527 590 A HA 0.416 4.735 4.320 -0.001 0.000 0.293 590 A C -1.322 176.281 177.584 0.032 0.000 1.117 590 A CA -0.704 51.399 52.037 0.109 0.000 0.723 590 A CB 1.970 21.031 19.000 0.103 0.000 1.313 590 A HN 0.656 nan 8.150 nan 0.000 0.411 591 Q N 0.811 120.637 119.800 0.044 0.000 2.356 591 Q HA 0.655 4.994 4.340 -0.001 0.000 0.270 591 Q C -1.982 174.012 176.000 -0.010 0.000 1.058 591 Q CA -0.564 55.223 55.803 -0.026 0.000 0.802 591 Q CB 2.184 30.943 28.738 0.035 0.000 1.303 591 Q HN 0.579 nan 8.270 nan 0.000 0.444 592 V N 2.615 122.454 119.914 -0.124 0.000 2.435 592 V HA 0.558 4.677 4.120 -0.001 0.000 0.290 592 V C -0.514 175.754 176.094 0.291 0.000 1.030 592 V CA -0.308 62.032 62.300 0.067 0.000 0.881 592 V CB 1.791 33.622 31.823 0.014 0.000 0.983 592 V HN 0.839 nan 8.190 nan 0.000 0.445 593 S N 5.160 121.057 115.700 0.328 0.000 2.634 593 S HA 0.688 5.158 4.470 -0.001 0.000 0.296 593 S C -2.749 171.914 174.600 0.105 0.000 1.104 593 S CA -1.175 57.201 58.200 0.294 0.000 0.920 593 S CB 2.385 65.712 63.200 0.211 0.000 1.111 593 S HN 0.541 nan 8.310 nan 0.000 0.493 594 P HA 0.234 nan 4.420 nan 0.000 0.273 594 P C -1.143 175.843 177.300 -0.524 0.000 1.250 594 P CA -0.497 62.233 63.100 -0.616 0.000 0.793 594 P CB 0.358 31.294 31.700 -1.273 0.000 1.011 595 V N 1.660 121.195 119.914 -0.632 0.000 2.368 595 V HA 0.188 4.308 4.120 -0.001 0.000 0.266 595 V C -0.512 175.283 176.094 -0.499 0.000 1.045 595 V CA -0.145 61.857 62.300 -0.496 0.000 0.899 595 V CB -0.383 31.057 31.823 -0.637 0.000 1.006 595 V HN 0.520 nan 8.190 nan 0.000 0.470 596 W N 3.508 124.728 121.300 -0.134 0.000 2.478 596 W HA 0.631 5.290 4.660 -0.001 0.000 0.318 596 W C 0.344 176.794 176.519 -0.115 0.000 1.062 596 W CA -0.443 56.811 57.345 -0.152 0.000 1.210 596 W CB 1.945 31.323 29.460 -0.136 0.000 1.325 596 W HN 0.580 nan 8.180 nan 0.000 0.496 597 S N 1.566 117.314 115.700 0.080 0.000 2.526 597 S HA 0.598 5.068 4.470 -0.001 0.000 0.293 597 S C -1.394 173.023 174.600 -0.304 0.000 1.092 597 S CA -0.927 57.247 58.200 -0.043 0.000 0.980 597 S CB 1.177 64.334 63.200 -0.072 0.000 1.048 597 S HN 0.418 nan 8.310 nan 0.000 0.483 598 W N 1.768 122.852 121.300 -0.359 0.000 2.496 598 W HA 0.538 5.198 4.660 -0.001 0.000 0.327 598 W C 0.359 176.507 176.519 -0.618 0.000 1.086 598 W CA -0.169 56.968 57.345 -0.347 0.000 1.222 598 W CB 0.958 30.314 29.460 -0.173 0.000 1.304 598 W HN 0.627 nan 8.180 nan 0.000 0.547 599 H N 1.462 120.564 119.070 0.053 0.000 2.679 599 H HA 0.107 4.662 4.556 -0.001 0.000 0.360 599 H C -1.064 174.257 175.328 -0.011 0.000 1.105 599 H CA -0.975 55.049 56.048 -0.041 0.000 1.196 599 H CB 1.813 31.460 29.762 -0.192 0.000 1.636 599 H HN 0.375 nan 8.280 nan 0.000 0.531 600 H N 2.285 121.400 119.070 0.074 0.000 2.846 600 H HA 0.049 4.605 4.556 -0.001 0.000 0.278 600 H C -0.530 174.829 175.328 0.051 0.000 1.117 600 H CA -0.318 55.763 56.048 0.055 0.000 1.406 600 H CB 0.167 29.955 29.762 0.044 0.000 1.445 600 H HN 0.428 nan 8.280 nan 0.000 0.469 601 D N 3.694 123.967 120.400 -0.212 0.000 2.352 601 D HA -0.023 4.616 4.640 -0.001 0.000 0.245 601 D C 0.937 177.024 176.300 -0.355 0.000 1.224 601 D CA 0.103 54.002 54.000 -0.169 0.000 0.879 601 D CB 0.693 41.567 40.800 0.124 0.000 1.057 601 D HN 0.774 nan 8.370 nan 0.000 0.491 602 T N 1.335 115.679 114.554 -0.351 0.000 3.072 602 T HA -0.063 4.287 4.350 -0.001 0.000 0.266 602 T C 1.789 176.424 174.700 -0.109 0.000 1.127 602 T CA 0.067 62.004 62.100 -0.273 0.000 1.107 602 T CB 0.221 68.997 68.868 -0.154 0.000 0.910 602 T HN 0.240 nan 8.240 nan 0.000 0.513 603 L N 2.312 123.492 121.223 -0.073 0.000 2.071 603 L HA 0.091 4.431 4.340 -0.001 0.000 0.201 603 L C 3.026 179.888 176.870 -0.012 0.000 1.076 603 L CA 2.235 57.057 54.840 -0.030 0.000 0.755 603 L CB -1.742 40.305 42.059 -0.020 0.000 0.915 603 L HN 0.538 nan 8.230 nan 0.000 0.445 604 T N -3.661 110.895 114.554 0.003 0.000 3.088 604 T HA -0.034 4.316 4.350 -0.001 0.000 0.259 604 T C 0.754 175.479 174.700 0.042 0.000 1.122 604 T CA -0.081 62.032 62.100 0.021 0.000 1.095 604 T CB 0.055 68.939 68.868 0.028 0.000 0.930 604 T HN 0.133 nan 8.240 nan 0.000 0.508 605 K N 2.001 122.421 120.400 0.033 0.000 3.125 605 K HA -0.121 4.198 4.320 -0.001 0.000 0.268 605 K C 0.090 176.787 176.600 0.161 0.000 1.078 605 K CA 1.228 57.571 56.287 0.093 0.000 0.775 605 K CB -2.917 29.637 32.500 0.091 0.000 1.253 605 K HN 0.877 nan 8.250 nan 0.000 0.486 606 T N -2.724 111.943 114.554 0.188 0.000 2.906 606 T HA 0.811 5.160 4.350 -0.001 0.000 0.295 606 T C 0.267 175.177 174.700 0.348 0.000 1.075 606 T CA -1.062 61.192 62.100 0.257 0.000 1.005 606 T CB 2.280 71.290 68.868 0.238 0.000 1.136 606 T HN 0.153 nan 8.240 nan 0.000 0.498 607 I N 3.200 123.972 120.570 0.337 0.000 2.355 607 I HA 0.519 4.688 4.170 -0.001 0.000 0.288 607 I C -0.366 176.027 176.117 0.461 0.000 0.999 607 I CA -0.715 60.791 61.300 0.343 0.000 1.163 607 I CB 0.623 38.778 38.000 0.258 0.000 1.316 607 I HN 0.932 nan 8.210 nan 0.000 0.454 608 H N 5.845 125.103 119.070 0.312 0.000 3.016 608 H HA 0.665 5.220 4.556 -0.001 0.000 0.362 608 H C -3.186 171.955 175.328 -0.310 0.000 1.233 608 H CA -2.419 53.646 56.048 0.028 0.000 1.124 608 H CB 1.836 31.606 29.762 0.012 0.000 1.850 608 H HN 0.152 nan 8.280 nan 0.000 0.549 609 P HA 0.216 nan 4.420 nan 0.000 0.290 609 P C -0.999 176.267 177.300 -0.056 0.000 1.275 609 P CA -0.644 61.958 63.100 -0.830 0.000 0.841 609 P CB 1.759 32.612 31.700 -1.412 0.000 1.042 610 Q N 0.844 120.723 119.800 0.132 0.000 2.342 610 Q HA 0.589 4.929 4.340 -0.001 0.000 0.267 610 Q C 0.135 176.244 176.000 0.182 0.000 1.038 610 Q CA -0.568 55.375 55.803 0.233 0.000 0.832 610 Q CB 2.856 31.706 28.738 0.187 0.000 1.323 610 Q HN 0.592 nan 8.270 nan 0.000 0.448 611 G N 0.544 109.324 108.800 -0.033 0.000 2.389 611 G HA2 0.355 4.315 3.960 -0.001 0.000 0.328 611 G HA3 0.355 4.315 3.960 -0.001 0.000 0.328 611 G C -0.434 174.227 174.900 -0.399 0.000 1.133 611 G CA -0.325 44.438 45.100 -0.562 0.000 0.891 611 G HN 0.419 nan 8.290 nan 0.000 0.485 612 S N -0.640 114.764 115.700 -0.493 0.000 2.580 612 S HA 0.335 4.805 4.470 -0.001 0.000 0.274 612 S C 1.562 175.908 174.600 -0.424 0.000 1.329 612 S CA 0.244 58.191 58.200 -0.422 0.000 1.036 612 S CB 0.769 63.662 63.200 -0.511 0.000 0.919 612 S HN 0.907 nan 8.310 nan 0.000 0.515 613 T N -0.185 114.199 114.554 -0.283 0.000 3.105 613 T HA 0.171 4.521 4.350 -0.001 0.000 0.253 613 T C 0.993 175.606 174.700 -0.145 0.000 1.047 613 T CA 0.453 62.454 62.100 -0.166 0.000 0.944 613 T CB -0.198 68.628 68.868 -0.071 0.000 1.016 613 T HN 0.694 nan 8.240 nan 0.000 0.544 614 T N -2.391 111.973 114.554 -0.317 0.000 3.080 614 T HA 0.407 4.756 4.350 -0.001 0.000 0.280 614 T C 0.085 174.563 174.700 -0.370 0.000 0.926 614 T CA -0.502 61.472 62.100 -0.211 0.000 0.883 614 T CB 0.286 69.090 68.868 -0.107 0.000 1.194 614 T HN 0.237 nan 8.240 nan 0.000 0.541 615 K N 0.679 120.632 120.400 -0.746 0.000 2.371 615 K HA 0.695 5.015 4.320 -0.001 0.000 0.251 615 K C -1.887 174.037 176.600 -1.127 0.000 0.934 615 K CA -0.772 55.119 56.287 -0.661 0.000 0.798 615 K CB 2.101 34.294 32.500 -0.512 0.000 1.204 615 K HN 0.126 nan 8.250 nan 0.000 0.427 616 Y N 0.016 120.227 120.300 -0.149 0.000 2.581 616 Y HA 0.443 4.992 4.550 -0.001 0.000 0.345 616 Y C -0.267 175.635 175.900 0.003 0.000 1.036 616 Y CA -1.132 56.912 58.100 -0.093 0.000 1.042 616 Y CB 1.740 40.213 38.460 0.023 0.000 1.289 616 Y HN 0.234 nan 8.280 nan 0.000 0.471 617 R N 1.750 122.376 120.500 0.209 0.000 2.294 617 R HA 0.572 4.911 4.340 -0.001 0.000 0.319 617 R C -1.217 175.249 176.300 0.278 0.000 0.984 617 R CA -0.636 55.630 56.100 0.277 0.000 0.861 617 R CB 1.611 32.052 30.300 0.235 0.000 1.104 617 R HN 0.643 nan 8.270 nan 0.000 0.451 618 I N 4.166 124.923 120.570 0.311 0.000 2.412 618 I HA 0.422 4.592 4.170 -0.001 0.000 0.296 618 I C -0.990 175.311 176.117 0.308 0.000 0.987 618 I CA -0.701 60.774 61.300 0.292 0.000 1.180 618 I CB 1.015 39.202 38.000 0.311 0.000 1.340 618 I HN 0.538 nan 8.210 nan 0.000 0.455 619 I N 8.125 128.846 120.570 0.253 0.000 2.498 619 I HA 0.500 4.669 4.170 -0.001 0.000 0.290 619 I C -1.068 175.195 176.117 0.244 0.000 1.032 619 I CA -0.522 60.873 61.300 0.158 0.000 1.073 619 I CB 1.664 39.720 38.000 0.093 0.000 1.251 619 I HN 0.507 nan 8.210 nan 0.000 0.426 620 F N 2.899 122.873 119.950 0.039 0.000 2.686 620 F HA 0.566 5.093 4.527 -0.001 0.000 0.311 620 F C -1.073 174.710 175.800 -0.029 0.000 1.128 620 F CA -1.288 56.712 58.000 0.001 0.000 0.946 620 F CB 1.341 40.328 39.000 -0.023 0.000 1.336 620 F HN 0.215 nan 8.300 nan 0.000 0.457 621 K N 2.107 122.598 120.400 0.152 0.000 2.285 621 K HA 0.721 5.040 4.320 -0.001 0.000 0.286 621 K C -0.612 176.045 176.600 0.094 0.000 1.072 621 K CA -0.327 55.991 56.287 0.052 0.000 0.913 621 K CB 0.778 33.337 32.500 0.098 0.000 1.067 621 K HN 0.929 nan 8.250 nan 0.000 0.479 622 A N 4.690 127.477 122.820 -0.054 0.000 2.310 622 A HA 0.388 4.708 4.320 -0.001 0.000 0.299 622 A C -0.595 177.129 177.584 0.232 0.000 1.147 622 A CA -0.652 51.425 52.037 0.067 0.000 0.818 622 A CB 0.635 19.633 19.000 -0.003 0.000 1.096 622 A HN 0.880 nan 8.150 nan 0.000 0.495 623 R N 2.062 122.807 120.500 0.409 0.000 2.439 623 R HA 0.606 4.946 4.340 -0.001 0.000 0.310 623 R C -1.873 174.684 176.300 0.429 0.000 0.955 623 R CA -0.240 56.088 56.100 0.380 0.000 0.853 623 R CB 1.328 31.837 30.300 0.348 0.000 1.171 623 R HN 0.502 nan 8.270 nan 0.000 0.449 624 V N 6.105 126.227 119.914 0.346 0.000 2.709 624 V HA 0.461 4.581 4.120 -0.001 0.000 0.308 624 V C -2.270 173.724 176.094 -0.167 0.000 1.062 624 V CA -2.298 60.096 62.300 0.158 0.000 0.901 624 V CB 1.912 33.806 31.823 0.119 0.000 1.003 624 V HN 0.785 nan 8.190 nan 0.000 0.425 625 P HA 0.231 nan 4.420 nan 0.000 0.271 625 P C -2.754 174.072 177.300 -0.789 0.000 1.244 625 P CA -1.418 60.814 63.100 -1.447 0.000 0.793 625 P CB -0.267 30.763 31.700 -1.116 0.000 0.984 626 P HA 0.096 nan 4.420 nan 0.000 0.267 626 P C 0.103 177.363 177.300 -0.068 0.000 1.205 626 P CA 0.566 63.480 63.100 -0.310 0.000 0.765 626 P CB -0.224 31.363 31.700 -0.188 0.000 0.828 627 M N 0.278 119.878 119.600 -0.001 0.000 2.253 627 M HA -0.212 4.268 4.480 -0.001 0.000 0.199 627 M C 0.559 177.051 176.300 0.319 0.000 0.342 627 M CA 0.980 56.414 55.300 0.225 0.000 0.417 627 M CB -2.057 30.759 32.600 0.361 0.000 1.338 627 M HN 0.585 nan 8.290 nan 0.000 0.920 628 G N -0.194 108.657 108.800 0.085 0.000 3.105 628 G HA2 0.935 4.895 3.960 -0.001 0.000 0.277 628 G HA3 0.935 4.895 3.960 -0.001 0.000 0.277 628 G C -1.346 173.678 174.900 0.208 0.000 1.375 628 G CA -0.972 44.148 45.100 0.034 0.000 0.962 628 G HN 0.177 nan 8.290 nan 0.000 0.541 629 L N -0.491 120.839 121.223 0.179 0.000 2.388 629 L HA 0.802 5.141 4.340 -0.001 0.000 0.264 629 L C -0.238 176.726 176.870 0.156 0.000 0.998 629 L CA -1.021 53.954 54.840 0.226 0.000 0.817 629 L CB 2.491 44.689 42.059 0.232 0.000 1.338 629 L HN 0.764 nan 8.230 nan 0.000 0.414 630 A N 0.801 123.753 122.820 0.219 0.000 2.427 630 A HA 0.801 5.120 4.320 -0.001 0.000 0.298 630 A C -0.793 176.935 177.584 0.240 0.000 1.036 630 A CA -0.451 51.697 52.037 0.186 0.000 0.701 630 A CB 1.708 20.862 19.000 0.256 0.000 1.250 630 A HN 0.554 nan 8.150 nan 0.000 0.412 631 T N 2.208 116.804 114.554 0.070 0.000 2.829 631 T HA 0.644 4.994 4.350 -0.001 0.000 0.282 631 T C -1.026 173.590 174.700 -0.140 0.000 0.990 631 T CA 0.253 62.434 62.100 0.135 0.000 1.028 631 T CB 0.313 69.264 68.868 0.138 0.000 0.951 631 T HN 0.441 nan 8.240 nan 0.000 0.460 632 Y N 0.388 120.767 120.300 0.132 0.000 2.634 632 Y HA 0.678 5.228 4.550 -0.001 0.000 0.340 632 Y C -0.322 175.498 175.900 -0.135 0.000 1.058 632 Y CA -1.163 56.929 58.100 -0.014 0.000 1.081 632 Y CB 1.715 40.179 38.460 0.007 0.000 1.295 632 Y HN 0.308 nan 8.280 nan 0.000 0.487 633 V N 2.998 122.875 119.914 -0.061 0.000 2.588 633 V HA 0.441 4.560 4.120 -0.001 0.000 0.304 633 V C -0.814 175.223 176.094 -0.094 0.000 1.042 633 V CA -0.972 61.231 62.300 -0.162 0.000 0.877 633 V CB 1.791 33.450 31.823 -0.274 0.000 0.996 633 V HN 0.491 nan 8.190 nan 0.000 0.425 634 L N 3.803 124.999 121.223 -0.045 0.000 2.296 634 L HA 0.700 5.039 4.340 -0.001 0.000 0.286 634 L C -0.139 176.750 176.870 0.031 0.000 1.023 634 L CA -0.148 54.682 54.840 -0.017 0.000 0.812 634 L CB 1.789 43.852 42.059 0.006 0.000 1.223 634 L HN 0.607 nan 8.230 nan 0.000 0.421 635 T N 3.667 118.244 114.554 0.037 0.000 2.848 635 T HA 0.452 4.801 4.350 -0.001 0.000 0.285 635 T C -0.206 174.544 174.700 0.083 0.000 0.995 635 T CA -0.385 61.750 62.100 0.059 0.000 0.970 635 T CB 2.329 71.222 68.868 0.041 0.000 0.976 635 T HN 0.384 nan 8.240 nan 0.000 0.441 636 I N 3.243 123.871 120.570 0.097 0.000 2.662 636 I HA 0.503 4.672 4.170 -0.001 0.000 0.291 636 I C 0.337 176.520 176.117 0.110 0.000 1.046 636 I CA 0.228 61.602 61.300 0.122 0.000 1.361 636 I CB 0.700 38.774 38.000 0.124 0.000 1.429 636 I HN 0.830 nan 8.210 nan 0.000 0.558 637 S N 3.651 119.433 115.700 0.137 0.000 2.697 637 S HA 0.394 4.863 4.470 -0.001 0.000 0.289 637 S C 0.022 174.659 174.600 0.062 0.000 1.149 637 S CA -0.825 57.423 58.200 0.079 0.000 0.850 637 S CB 1.618 64.847 63.200 0.049 0.000 1.151 637 S HN 0.612 nan 8.310 nan 0.000 0.491 638 D N 1.132 121.511 120.400 -0.035 0.000 2.269 638 D HA 0.123 4.763 4.640 -0.001 0.000 0.208 638 D C 0.940 177.001 176.300 -0.399 0.000 0.963 638 D CA 1.399 55.337 54.000 -0.103 0.000 0.864 638 D CB 0.044 40.793 40.800 -0.084 0.000 0.936 638 D HN 0.681 nan 8.370 nan 0.000 0.505 639 S N -1.397 113.977 115.700 -0.544 0.000 2.705 639 S HA 0.346 4.816 4.470 -0.001 0.000 0.280 639 S C -0.631 173.558 174.600 -0.685 0.000 1.174 639 S CA -1.102 56.522 58.200 -0.961 0.000 0.823 639 S CB 1.997 64.900 63.200 -0.494 0.000 1.162 639 S HN -0.205 nan 8.310 nan 0.000 0.487 640 K N 1.974 122.068 120.400 -0.509 0.000 2.437 640 K HA 0.167 4.487 4.320 -0.001 0.000 0.277 640 K C -2.396 174.233 176.600 0.048 0.000 1.073 640 K CA -0.544 55.752 56.287 0.014 0.000 1.105 640 K CB -0.589 31.947 32.500 0.061 0.000 0.881 640 K HN 0.374 nan 8.250 nan 0.000 0.475 641 P HA -0.004 nan 4.420 nan 0.000 0.272 641 P C 0.563 177.891 177.300 0.046 0.000 1.223 641 P CA -0.271 62.883 63.100 0.089 0.000 0.784 641 P CB 0.710 32.487 31.700 0.129 0.000 0.923 642 E N 1.083 121.272 120.200 -0.019 0.000 2.118 642 E HA -0.243 4.106 4.350 -0.001 0.000 0.195 642 E C 0.532 176.955 176.600 -0.295 0.000 0.992 642 E CA 1.197 57.488 56.400 -0.181 0.000 0.804 642 E CB -0.027 29.500 29.700 -0.290 0.000 0.741 642 E HN 0.495 nan 8.360 nan 0.000 0.458 643 H N -0.859 118.224 119.070 0.022 0.000 2.505 643 H HA 0.225 4.780 4.556 -0.001 0.000 0.286 643 H C -0.435 174.891 175.328 -0.004 0.000 1.072 643 H CA 0.151 56.206 56.048 0.012 0.000 1.141 643 H CB 0.819 30.586 29.762 0.010 0.000 1.550 643 H HN -0.047 nan 8.280 nan 0.000 0.547 644 T N 1.477 116.059 114.554 0.047 0.000 2.812 644 T HA 0.326 4.675 4.350 -0.001 0.000 0.282 644 T C 0.329 174.916 174.700 -0.187 0.000 0.990 644 T CA -0.693 61.364 62.100 -0.070 0.000 0.960 644 T CB 2.219 71.039 68.868 -0.080 0.000 0.948 644 T HN 0.264 nan 8.240 nan 0.000 0.438 645 S N 2.220 117.761 115.700 -0.266 0.000 2.718 645 S HA 0.789 5.258 4.470 -0.001 0.000 0.300 645 S C -1.435 172.817 174.600 -0.581 0.000 1.117 645 S CA -0.818 57.238 58.200 -0.239 0.000 1.002 645 S CB 0.891 64.063 63.200 -0.048 0.000 1.092 645 S HN 0.582 nan 8.310 nan 0.000 0.542 646 Y N -0.011 120.294 120.300 0.009 0.000 2.361 646 Y HA 0.647 5.197 4.550 -0.001 0.000 0.337 646 Y C 0.560 176.507 175.900 0.079 0.000 0.965 646 Y CA -0.792 57.296 58.100 -0.020 0.000 1.091 646 Y CB 1.679 39.993 38.460 -0.244 0.000 1.182 646 Y HN 1.039 nan 8.280 nan 0.000 0.450 647 A N 2.135 125.139 122.820 0.308 0.000 2.445 647 A HA 0.477 4.797 4.320 -0.001 0.000 0.242 647 A C 0.146 177.924 177.584 0.323 0.000 1.075 647 A CA -0.292 51.914 52.037 0.283 0.000 0.777 647 A CB 0.089 19.256 19.000 0.279 0.000 1.013 647 A HN 0.701 nan 8.150 nan 0.000 0.493 648 S N 1.345 117.173 115.700 0.214 0.000 2.632 648 S HA 0.405 4.875 4.470 -0.001 0.000 0.271 648 S C -0.046 174.653 174.600 0.165 0.000 1.260 648 S CA -0.681 57.630 58.200 0.185 0.000 1.010 648 S CB 0.449 63.717 63.200 0.113 0.000 0.965 648 S HN 0.745 nan 8.310 nan 0.000 0.534 649 N N 1.016 119.793 118.700 0.128 0.000 2.310 649 N HA 0.476 5.216 4.740 -0.001 0.000 0.292 649 N C -1.836 173.629 175.510 -0.075 0.000 1.049 649 N CA -0.557 52.530 53.050 0.061 0.000 0.849 649 N CB 2.254 40.865 38.487 0.205 0.000 1.532 649 N HN 0.339 nan 8.380 nan 0.000 0.479 650 L N 2.571 123.706 121.223 -0.147 0.000 2.406 650 L HA 0.480 4.820 4.340 -0.001 0.000 0.272 650 L C -1.565 175.160 176.870 -0.241 0.000 0.980 650 L CA -0.573 54.151 54.840 -0.194 0.000 0.831 650 L CB 1.529 43.527 42.059 -0.102 0.000 1.253 650 L HN 0.422 nan 8.230 nan 0.000 0.406 651 L N 6.686 127.720 121.223 -0.316 0.000 2.265 651 L HA 0.475 4.814 4.340 -0.001 0.000 0.289 651 L C -1.195 175.656 176.870 -0.031 0.000 1.033 651 L CA -0.351 54.365 54.840 -0.206 0.000 0.814 651 L CB 1.194 43.124 42.059 -0.213 0.000 1.203 651 L HN 0.674 nan 8.230 nan 0.000 0.423 652 L N 7.302 128.522 121.223 -0.006 0.000 2.262 652 L HA 0.586 4.926 4.340 -0.001 0.000 0.288 652 L C -0.069 176.841 176.870 0.066 0.000 1.035 652 L CA -0.465 54.400 54.840 0.041 0.000 0.820 652 L CB 0.925 42.999 42.059 0.026 0.000 1.204 652 L HN 0.648 nan 8.230 nan 0.000 0.424 653 R N 1.908 122.456 120.500 0.082 0.000 2.739 653 R HA 0.427 4.767 4.340 -0.001 0.000 0.266 653 R C -1.642 174.693 176.300 0.058 0.000 1.044 653 R CA -1.146 54.997 56.100 0.072 0.000 0.885 653 R CB 1.187 31.530 30.300 0.072 0.000 1.260 653 R HN 0.122 nan 8.270 nan 0.000 0.477 654 K N 1.621 122.046 120.400 0.042 0.000 2.202 654 K HA 0.092 4.411 4.320 -0.001 0.000 0.264 654 K C -0.007 176.595 176.600 0.004 0.000 1.010 654 K CA -0.408 55.893 56.287 0.024 0.000 0.940 654 K CB 0.337 32.850 32.500 0.022 0.000 0.983 654 K HN 0.835 nan 8.250 nan 0.000 0.475 655 N N 0.656 119.347 118.700 -0.016 0.000 2.727 655 N HA -0.114 4.625 4.740 -0.001 0.000 0.251 655 N C -2.534 172.928 175.510 -0.079 0.000 1.040 655 N CA 0.144 53.167 53.050 -0.046 0.000 0.712 655 N CB -0.749 37.717 38.487 -0.037 0.000 0.912 655 N HN 0.431 nan 8.380 nan 0.000 0.545 656 P HA 0.289 nan 4.420 nan 0.000 0.276 656 P C -0.232 176.895 177.300 -0.288 0.000 1.244 656 P CA -0.099 62.898 63.100 -0.172 0.000 0.801 656 P CB 1.016 32.591 31.700 -0.208 0.000 1.006 657 T N -2.854 111.521 114.554 -0.298 0.000 2.916 657 T HA 0.491 4.840 4.350 -0.001 0.000 0.292 657 T C 0.211 174.720 174.700 -0.318 0.000 1.064 657 T CA -0.769 61.160 62.100 -0.286 0.000 1.011 657 T CB 0.642 69.410 68.868 -0.166 0.000 1.152 657 T HN 0.477 nan 8.240 nan 0.000 0.510 658 S N 0.672 116.241 115.700 -0.219 0.000 2.566 658 S HA 0.365 4.834 4.470 -0.001 0.000 0.280 658 S C -0.140 174.549 174.600 0.149 0.000 1.343 658 S CA -0.712 57.458 58.200 -0.049 0.000 1.036 658 S CB -0.364 62.826 63.200 -0.016 0.000 0.866 658 S HN 0.699 nan 8.310 nan 0.000 0.526 659 L N 2.454 123.869 121.223 0.320 0.000 2.481 659 L HA 0.369 4.708 4.340 -0.001 0.000 0.255 659 L C -2.341 174.635 176.870 0.176 0.000 1.192 659 L CA -1.609 53.395 54.840 0.274 0.000 0.924 659 L CB 1.633 43.933 42.059 0.401 0.000 1.179 659 L HN 0.603 nan 8.230 nan 0.000 0.491 660 P HA 0.185 nan 4.420 nan 0.000 0.275 660 P C -0.057 177.244 177.300 0.001 0.000 1.228 660 P CA -0.157 62.978 63.100 0.059 0.000 0.786 660 P CB 1.684 33.407 31.700 0.040 0.000 0.927 661 L N 1.036 122.269 121.223 0.016 0.000 3.366 661 L HA 0.284 4.623 4.340 -0.001 0.000 0.304 661 L C 1.401 178.339 176.870 0.113 0.000 1.292 661 L CA -0.081 54.749 54.840 -0.017 0.000 1.012 661 L CB 0.079 42.096 42.059 -0.069 0.000 1.414 661 L HN 0.729 nan 8.230 nan 0.000 0.603 662 G N 1.204 110.053 108.800 0.081 0.000 2.622 662 G HA2 -0.410 3.550 3.960 -0.001 0.000 0.307 662 G HA3 -0.410 3.550 3.960 -0.001 0.000 0.307 662 G C 0.570 175.527 174.900 0.095 0.000 1.226 662 G CA 0.770 45.934 45.100 0.106 0.000 0.997 662 G HN 0.465 nan 8.290 nan 0.000 0.551 663 Q N -0.528 119.312 119.800 0.067 0.000 2.472 663 Q HA 0.159 4.499 4.340 -0.001 0.000 0.208 663 Q C 0.895 176.737 176.000 -0.262 0.000 0.958 663 Q CA 0.362 56.103 55.803 -0.104 0.000 0.932 663 Q CB 0.241 28.836 28.738 -0.239 0.000 1.007 663 Q HN 0.509 nan 8.270 nan 0.000 0.508 664 Y N 4.144 124.253 120.300 -0.319 0.000 2.802 664 Y HA -0.050 4.500 4.550 -0.001 0.000 0.333 664 Y C -1.371 174.388 175.900 -0.234 0.000 1.244 664 Y CA -1.581 56.313 58.100 -0.343 0.000 1.558 664 Y CB 0.796 39.199 38.460 -0.095 0.000 1.233 664 Y HN 0.053 nan 8.280 nan 0.000 0.547 665 P HA -0.068 nan 4.420 nan 0.000 0.237 665 P C -0.647 176.500 177.300 -0.256 0.000 1.178 665 P CA 1.016 63.857 63.100 -0.431 0.000 0.766 665 P CB 0.489 31.825 31.700 -0.608 0.000 0.876 666 E N 1.053 121.131 120.200 -0.204 0.000 2.165 666 E HA 0.203 4.553 4.350 -0.001 0.000 0.266 666 E C -0.526 176.190 176.600 0.193 0.000 0.889 666 E CA -0.565 55.856 56.400 0.035 0.000 0.756 666 E CB 1.290 31.048 29.700 0.097 0.000 1.131 666 E HN 0.040 nan 8.360 nan 0.000 0.411 667 D N 1.408 121.883 120.400 0.125 0.000 2.424 667 D HA 0.060 4.700 4.640 -0.001 0.000 0.244 667 D C 0.242 176.609 176.300 0.112 0.000 1.134 667 D CA -0.155 53.924 54.000 0.132 0.000 0.881 667 D CB 1.045 41.910 40.800 0.108 0.000 1.191 667 D HN 0.040 nan 8.370 nan 0.000 0.445 668 V N 3.579 123.545 119.914 0.088 0.000 2.673 668 V HA -0.035 4.085 4.120 -0.001 0.000 0.303 668 V C 0.852 176.793 176.094 -0.255 0.000 1.046 668 V CA 0.171 62.425 62.300 -0.077 0.000 1.126 668 V CB 0.313 32.068 31.823 -0.112 0.000 0.934 668 V HN 0.314 nan 8.190 nan 0.000 0.487 669 K N 3.684 123.873 120.400 -0.352 0.000 2.166 669 K HA 0.664 4.984 4.320 -0.001 0.000 0.245 669 K C -0.939 175.291 176.600 -0.617 0.000 0.967 669 K CA -0.367 55.744 56.287 -0.294 0.000 0.863 669 K CB 1.725 34.172 32.500 -0.088 0.000 1.107 669 K HN 0.419 nan 8.250 nan 0.000 0.436 670 F N -0.922 119.041 119.950 0.021 0.000 2.577 670 F HA 0.687 5.214 4.527 -0.001 0.000 0.318 670 F C 0.645 176.450 175.800 0.008 0.000 1.065 670 F CA -0.640 57.364 58.000 0.006 0.000 0.929 670 F CB 2.700 41.702 39.000 0.003 0.000 1.237 670 F HN 0.599 nan 8.300 nan 0.000 0.468 671 G N 0.343 109.250 108.800 0.178 0.000 2.601 671 G HA2 0.395 4.354 3.960 -0.001 0.000 0.291 671 G HA3 0.395 4.354 3.960 -0.001 0.000 0.291 671 G C -2.149 172.804 174.900 0.089 0.000 1.456 671 G CA -0.860 44.305 45.100 0.107 0.000 0.804 671 G HN 0.368 nan 8.290 nan 0.000 0.499 672 D N 0.918 121.358 120.400 0.066 0.000 2.399 672 D HA 0.358 4.998 4.640 -0.001 0.000 0.241 672 D C -1.960 174.371 176.300 0.051 0.000 1.133 672 D CA -0.521 53.511 54.000 0.054 0.000 0.890 672 D CB 0.988 41.813 40.800 0.043 0.000 1.201 672 D HN -0.004 nan 8.370 nan 0.000 0.432 673 P HA 0.052 nan 4.420 nan 0.000 0.264 673 P C -0.459 176.871 177.300 0.050 0.000 1.183 673 P CA 0.438 63.569 63.100 0.052 0.000 0.763 673 P CB 0.397 32.131 31.700 0.056 0.000 0.807 674 R N 0.458 120.990 120.500 0.053 0.000 2.690 674 R HA 0.412 4.752 4.340 -0.001 0.000 0.269 674 R C -1.138 175.202 176.300 0.066 0.000 1.037 674 R CA -1.008 55.123 56.100 0.052 0.000 0.877 674 R CB 1.115 31.442 30.300 0.044 0.000 1.255 674 R HN 0.221 nan 8.270 nan 0.000 0.467 675 E N 1.738 121.978 120.200 0.067 0.000 2.413 675 E HA 0.228 4.577 4.350 -0.001 0.000 0.263 675 E C -0.014 176.643 176.600 0.096 0.000 1.015 675 E CA 0.114 56.567 56.400 0.088 0.000 0.916 675 E CB 0.748 30.485 29.700 0.062 0.000 0.947 675 E HN 0.458 nan 8.360 nan 0.000 0.440 676 I N -2.056 118.604 120.570 0.151 0.000 2.994 676 I HA 0.544 4.714 4.170 -0.001 0.000 0.306 676 I C -0.693 175.568 176.117 0.240 0.000 1.195 676 I CA -0.789 60.601 61.300 0.150 0.000 1.001 676 I CB 2.482 40.544 38.000 0.104 0.000 1.244 676 I HN 0.122 nan 8.210 nan 0.000 0.437 677 S N 3.291 119.105 115.700 0.190 0.000 2.548 677 S HA 0.847 5.317 4.470 -0.001 0.000 0.286 677 S C -0.864 173.854 174.600 0.197 0.000 1.098 677 S CA -0.623 57.703 58.200 0.211 0.000 0.930 677 S CB 1.717 64.991 63.200 0.122 0.000 1.070 677 S HN 0.540 nan 8.310 nan 0.000 0.480 678 L N 1.981 123.346 121.223 0.237 0.000 2.409 678 L HA 0.684 5.024 4.340 -0.001 0.000 0.262 678 L C -0.498 176.465 176.870 0.156 0.000 0.992 678 L CA -0.657 54.294 54.840 0.185 0.000 0.817 678 L CB 2.317 44.500 42.059 0.206 0.000 1.350 678 L HN 0.511 nan 8.230 nan 0.000 0.411 679 R N 1.624 122.193 120.500 0.114 0.000 2.533 679 R HA 0.672 5.011 4.340 -0.001 0.000 0.288 679 R C -2.036 174.311 176.300 0.079 0.000 1.039 679 R CA -0.485 55.670 56.100 0.092 0.000 0.909 679 R CB 2.270 32.615 30.300 0.075 0.000 1.195 679 R HN 0.402 nan 8.270 nan 0.000 0.438 680 V N 4.591 124.549 119.914 0.074 0.000 2.435 680 V HA 0.541 4.661 4.120 -0.001 0.000 0.290 680 V C 1.143 177.268 176.094 0.052 0.000 1.030 680 V CA 0.613 62.952 62.300 0.064 0.000 0.881 680 V CB 1.125 32.988 31.823 0.067 0.000 0.983 680 V HN 1.114 nan 8.190 nan 0.000 0.445 681 G N 4.966 113.794 108.800 0.048 0.000 2.614 681 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.303 681 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.303 681 G C 0.518 175.438 174.900 0.034 0.000 1.270 681 G CA 0.679 45.803 45.100 0.040 0.000 0.988 681 G HN 0.692 nan 8.290 nan 0.000 0.551 682 N N 2.387 121.103 118.700 0.027 0.000 2.251 682 N HA 0.265 5.005 4.740 -0.001 0.000 0.217 682 N C 1.144 176.664 175.510 0.017 0.000 1.124 682 N CA 0.946 54.008 53.050 0.020 0.000 0.843 682 N CB 0.390 38.886 38.487 0.014 0.000 1.024 682 N HN 0.791 nan 8.380 nan 0.000 0.501 683 G N 1.511 110.325 108.800 0.024 0.000 2.494 683 G HA2 0.251 4.210 3.960 -0.001 0.000 0.270 683 G HA3 0.251 4.210 3.960 -0.001 0.000 0.270 683 G C -2.380 172.531 174.900 0.018 0.000 1.423 683 G CA -0.635 44.477 45.100 0.021 0.000 1.055 683 G HN 0.002 nan 8.290 nan 0.000 0.536 684 P HA 0.219 nan 4.420 nan 0.000 0.274 684 P C -0.547 176.772 177.300 0.031 0.000 1.237 684 P CA 0.024 63.129 63.100 0.009 0.000 0.793 684 P CB 0.849 32.550 31.700 0.003 0.000 0.977 685 T N 2.449 117.019 114.554 0.026 0.000 2.749 685 T HA 0.449 4.799 4.350 -0.001 0.000 0.287 685 T C 0.033 174.768 174.700 0.059 0.000 0.970 685 T CA -0.360 61.779 62.100 0.065 0.000 0.980 685 T CB 0.061 68.980 68.868 0.085 0.000 0.924 685 T HN 0.172 nan 8.240 nan 0.000 0.456 686 L N 2.751 124.015 121.223 0.068 0.000 2.307 686 L HA 0.765 5.104 4.340 -0.001 0.000 0.284 686 L C 0.228 177.046 176.870 -0.088 0.000 1.023 686 L CA -1.149 53.655 54.840 -0.061 0.000 0.810 686 L CB 1.484 43.494 42.059 -0.082 0.000 1.231 686 L HN 0.636 nan 8.230 nan 0.000 0.423 687 A N 3.324 126.005 122.820 -0.232 0.000 2.317 687 A HA 0.859 5.179 4.320 -0.001 0.000 0.327 687 A C -1.168 176.193 177.584 -0.371 0.000 1.178 687 A CA -0.300 51.653 52.037 -0.139 0.000 0.817 687 A CB 0.730 19.691 19.000 -0.065 0.000 1.189 687 A HN 0.504 nan 8.150 nan 0.000 0.489 688 F N 0.876 120.869 119.950 0.071 0.000 2.546 688 F HA 0.527 5.054 4.527 -0.001 0.000 0.320 688 F C 1.091 176.937 175.800 0.078 0.000 1.076 688 F CA -0.322 57.736 58.000 0.097 0.000 0.928 688 F CB 2.143 41.204 39.000 0.101 0.000 1.189 688 F HN 0.678 nan 8.300 nan 0.000 0.465 689 S N 0.127 115.989 115.700 0.270 0.000 2.617 689 S HA 0.089 4.559 4.470 -0.001 0.000 0.259 689 S C 1.045 175.751 174.600 0.175 0.000 1.301 689 S CA -0.042 58.264 58.200 0.177 0.000 0.984 689 S CB 0.652 63.953 63.200 0.169 0.000 0.954 689 S HN 0.849 nan 8.310 nan 0.000 0.572 690 E N -0.141 120.130 120.200 0.119 0.000 2.409 690 E HA -0.196 4.154 4.350 -0.001 0.000 0.198 690 E C 1.332 177.995 176.600 0.105 0.000 1.024 690 E CA 0.979 57.439 56.400 0.100 0.000 0.861 690 E CB -0.426 29.317 29.700 0.072 0.000 0.788 690 E HN 0.779 nan 8.360 nan 0.000 0.521 691 Q N 0.051 119.927 119.800 0.128 0.000 2.320 691 Q HA 0.196 4.536 4.340 -0.001 0.000 0.201 691 Q C 0.824 176.914 176.000 0.150 0.000 0.910 691 Q CA 0.426 56.304 55.803 0.126 0.000 0.946 691 Q CB 0.905 29.719 28.738 0.126 0.000 1.062 691 Q HN 0.492 nan 8.270 nan 0.000 0.503 692 G N 0.511 109.421 108.800 0.184 0.000 2.136 692 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.242 692 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.242 692 G C -0.295 174.829 174.900 0.373 0.000 0.989 692 G CA -0.174 45.041 45.100 0.193 0.000 0.682 692 G HN 0.251 nan 8.290 nan 0.000 0.522 693 L N -0.138 121.343 121.223 0.429 0.000 2.317 693 L HA 0.684 5.024 4.340 -0.001 0.000 0.281 693 L C 0.788 177.951 176.870 0.488 0.000 1.024 693 L CA -1.355 53.778 54.840 0.490 0.000 0.810 693 L CB 1.595 43.848 42.059 0.323 0.000 1.240 693 L HN 0.142 nan 8.230 nan 0.000 0.427 694 L N 2.957 124.445 121.223 0.442 0.000 2.559 694 L HA -0.056 4.283 4.340 -0.001 0.000 0.282 694 L C 0.925 177.859 176.870 0.107 0.000 1.232 694 L CA 1.110 55.961 54.840 0.018 0.000 0.885 694 L CB 0.130 42.224 42.059 0.058 0.000 1.131 694 L HN 0.684 nan 8.230 nan 0.000 0.498 695 K N 1.139 121.506 120.400 -0.054 0.000 2.424 695 K HA 0.239 4.558 4.320 -0.001 0.000 0.198 695 K C -0.360 176.182 176.600 -0.097 0.000 1.190 695 K CA 0.602 56.875 56.287 -0.023 0.000 0.935 695 K CB 0.508 32.976 32.500 -0.054 0.000 1.087 695 K HN 0.831 nan 8.250 nan 0.000 0.524 696 S N -0.434 115.183 115.700 -0.137 0.000 2.565 696 S HA 0.518 4.987 4.470 -0.001 0.000 0.269 696 S C -1.010 173.534 174.600 -0.094 0.000 1.153 696 S CA -1.026 57.117 58.200 -0.095 0.000 0.835 696 S CB 1.438 64.623 63.200 -0.025 0.000 1.122 696 S HN 0.072 nan 8.310 nan 0.000 0.462 697 I N 1.465 121.997 120.570 -0.062 0.000 2.466 697 I HA 0.450 4.620 4.170 -0.001 0.000 0.289 697 I C -0.566 175.521 176.117 -0.050 0.000 1.026 697 I CA -0.386 60.881 61.300 -0.056 0.000 1.078 697 I CB 2.139 40.095 38.000 -0.074 0.000 1.249 697 I HN 0.723 nan 8.210 nan 0.000 0.429 698 Q N 6.095 125.858 119.800 -0.062 0.000 2.368 698 Q HA 0.406 4.746 4.340 -0.001 0.000 0.263 698 Q C 0.105 176.039 176.000 -0.110 0.000 1.009 698 Q CA -0.495 55.205 55.803 -0.172 0.000 0.818 698 Q CB 1.621 30.130 28.738 -0.381 0.000 1.239 698 Q HN 0.782 nan 8.270 nan 0.000 0.464 699 L N 1.991 123.155 121.223 -0.097 0.000 2.056 699 L HA -0.050 4.289 4.340 -0.001 0.000 0.207 699 L C 1.225 178.062 176.870 -0.056 0.000 1.078 699 L CA 1.388 56.189 54.840 -0.064 0.000 0.749 699 L CB -0.295 41.728 42.059 -0.058 0.000 0.901 699 L HN 0.669 nan 8.230 nan 0.000 0.433 700 T N -6.291 108.220 114.554 -0.071 0.000 2.838 700 T HA 0.219 4.568 4.350 -0.001 0.000 0.292 700 T C 0.415 175.077 174.700 -0.064 0.000 1.113 700 T CA -0.785 61.284 62.100 -0.053 0.000 1.008 700 T CB 1.885 70.727 68.868 -0.042 0.000 1.259 700 T HN -0.045 nan 8.240 nan 0.000 0.520 701 Q N 0.468 120.245 119.800 -0.038 0.000 2.112 701 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 701 Q C 1.765 177.741 176.000 -0.040 0.000 0.987 701 Q CA 2.307 58.093 55.803 -0.028 0.000 0.858 701 Q CB -0.150 28.583 28.738 -0.009 0.000 0.905 701 Q HN 0.850 nan 8.270 nan 0.000 0.420 702 D N -0.477 119.898 120.400 -0.041 0.000 2.333 702 D HA -0.049 4.591 4.640 -0.001 0.000 0.208 702 D C 0.727 176.990 176.300 -0.062 0.000 0.984 702 D CA 0.391 54.369 54.000 -0.038 0.000 0.873 702 D CB 0.018 40.803 40.800 -0.024 0.000 0.935 702 D HN 0.073 nan 8.370 nan 0.000 0.521 703 S N 0.943 116.588 115.700 -0.092 0.000 2.600 703 S HA 0.360 4.830 4.470 -0.001 0.000 0.265 703 S C -2.544 171.959 174.600 -0.162 0.000 1.325 703 S CA -1.101 57.036 58.200 -0.105 0.000 1.002 703 S CB 0.834 63.975 63.200 -0.097 0.000 0.921 703 S HN -0.129 nan 8.310 nan 0.000 0.554 704 P HA 0.152 nan 4.420 nan 0.000 0.269 704 P C -0.571 176.619 177.300 -0.182 0.000 1.215 704 P CA -0.103 62.940 63.100 -0.095 0.000 0.780 704 P CB 0.134 31.819 31.700 -0.025 0.000 0.898 705 H N 0.921 119.981 119.070 -0.017 0.000 3.067 705 H HA 0.136 4.692 4.556 -0.001 0.000 0.265 705 H C -0.140 175.161 175.328 -0.044 0.000 1.234 705 H CA -0.294 55.735 56.048 -0.032 0.000 1.452 705 H CB -0.145 29.599 29.762 -0.030 0.000 1.527 705 H HN 0.114 nan 8.280 nan 0.000 0.486 706 V N 6.900 126.817 119.914 0.004 0.000 2.470 706 V HA 0.055 4.175 4.120 -0.001 0.000 0.276 706 V C -1.861 174.181 176.094 -0.085 0.000 1.040 706 V CA -1.528 60.752 62.300 -0.033 0.000 1.008 706 V CB 0.757 32.550 31.823 -0.050 0.000 0.990 706 V HN 0.540 nan 8.190 nan 0.000 0.477 707 P HA 0.170 nan 4.420 nan 0.000 0.266 707 P C -0.812 176.344 177.300 -0.241 0.000 1.215 707 P CA 0.245 63.189 63.100 -0.261 0.000 0.763 707 P CB 0.466 31.830 31.700 -0.560 0.000 0.806 708 V N 4.234 124.040 119.914 -0.179 0.000 2.555 708 V HA 0.213 4.332 4.120 -0.001 0.000 0.283 708 V C -0.781 175.217 176.094 -0.160 0.000 1.020 708 V CA -0.438 61.744 62.300 -0.198 0.000 0.883 708 V CB 1.159 32.852 31.823 -0.216 0.000 1.030 708 V HN 0.535 nan 8.190 nan 0.000 0.448 709 H N 4.500 123.411 119.070 -0.264 0.000 2.539 709 H HA 0.673 5.228 4.556 -0.001 0.000 0.332 709 H C -1.221 173.981 175.328 -0.210 0.000 1.031 709 H CA -0.990 54.947 56.048 -0.185 0.000 1.206 709 H CB 1.084 30.778 29.762 -0.113 0.000 1.446 709 H HN 0.390 nan 8.280 nan 0.000 0.496 710 F N 3.938 123.609 119.950 -0.465 0.000 2.412 710 F HA 0.365 4.892 4.527 -0.001 0.000 0.348 710 F C 0.423 175.726 175.800 -0.829 0.000 1.102 710 F CA -0.054 57.621 58.000 -0.541 0.000 1.196 710 F CB 0.886 39.693 39.000 -0.322 0.000 1.144 710 F HN 0.453 nan 8.300 nan 0.000 0.541 711 K N 3.448 123.597 120.400 -0.419 0.000 2.523 711 K HA 0.498 4.818 4.320 -0.001 0.000 0.257 711 K C -1.933 174.413 176.600 -0.424 0.000 0.932 711 K CA -0.562 55.522 56.287 -0.338 0.000 0.812 711 K CB 1.302 33.667 32.500 -0.225 0.000 1.326 711 K HN 0.385 nan 8.250 nan 0.000 0.433 712 F N 4.009 123.882 119.950 -0.127 0.000 2.436 712 F HA 0.498 5.025 4.527 -0.001 0.000 0.340 712 F C -0.346 175.411 175.800 -0.072 0.000 1.113 712 F CA -0.589 57.349 58.000 -0.102 0.000 1.022 712 F CB 1.157 40.082 39.000 -0.125 0.000 1.128 712 F HN 0.238 nan 8.300 nan 0.000 0.466 713 L N 2.679 123.948 121.223 0.076 0.000 2.341 713 L HA 0.621 4.961 4.340 -0.001 0.000 0.254 713 L C -1.131 175.734 176.870 -0.008 0.000 1.040 713 L CA -1.025 53.809 54.840 -0.011 0.000 0.837 713 L CB 2.285 44.277 42.059 -0.112 0.000 1.425 713 L HN 0.480 nan 8.230 nan 0.000 0.414 714 K N -0.220 120.139 120.400 -0.068 0.000 2.378 714 K HA 0.651 4.971 4.320 -0.001 0.000 0.252 714 K C -1.756 174.784 176.600 -0.100 0.000 0.931 714 K CA -0.799 55.477 56.287 -0.018 0.000 0.794 714 K CB 1.731 34.250 32.500 0.032 0.000 1.181 714 K HN 0.256 nan 8.250 nan 0.000 0.425 715 Y N 0.613 120.974 120.300 0.102 0.000 2.376 715 Y HA 0.494 5.044 4.550 -0.001 0.000 0.325 715 Y C 1.048 177.006 175.900 0.097 0.000 1.199 715 Y CA 0.059 58.231 58.100 0.120 0.000 1.206 715 Y CB 2.040 40.638 38.460 0.230 0.000 1.229 715 Y HN 0.912 nan 8.280 nan 0.000 0.480 716 G N 0.481 109.428 108.800 0.245 0.000 2.938 716 G HA2 0.633 4.592 3.960 -0.001 0.000 0.258 716 G HA3 0.633 4.592 3.960 -0.001 0.000 0.258 716 G C -1.462 173.513 174.900 0.126 0.000 1.356 716 G CA -0.742 44.447 45.100 0.148 0.000 1.052 716 G HN 0.437 nan 8.290 nan 0.000 0.550 717 V N -0.162 119.796 119.914 0.074 0.000 2.769 717 V HA 0.463 4.582 4.120 -0.001 0.000 0.312 717 V C -0.039 176.062 176.094 0.012 0.000 1.061 717 V CA -0.878 61.446 62.300 0.040 0.000 0.931 717 V CB 1.948 33.796 31.823 0.043 0.000 1.010 717 V HN 0.682 nan 8.190 nan 0.000 0.433 718 R N 1.367 121.852 120.500 -0.027 0.000 2.491 718 R HA 0.181 4.521 4.340 -0.001 0.000 0.283 718 R C 1.220 177.502 176.300 -0.030 0.000 1.072 718 R CA 0.450 56.513 56.100 -0.061 0.000 1.048 718 R CB 0.606 30.818 30.300 -0.147 0.000 0.983 718 R HN 0.921 nan 8.270 nan 0.000 0.450 719 S N 1.590 117.296 115.700 0.009 0.000 2.501 719 S HA -0.044 4.426 4.470 -0.001 0.000 0.220 719 S C 0.570 175.241 174.600 0.118 0.000 0.997 719 S CA 0.062 58.301 58.200 0.065 0.000 0.919 719 S CB -0.180 63.075 63.200 0.091 0.000 0.778 719 S HN 0.789 nan 8.310 nan 0.000 0.523 720 H N -1.000 118.071 119.070 0.002 0.000 2.895 720 H HA 0.621 5.177 4.556 -0.001 0.000 0.373 720 H C 0.549 175.874 175.328 -0.004 0.000 1.174 720 H CA -0.318 55.730 56.048 -0.001 0.000 1.144 720 H CB 1.095 30.856 29.762 -0.001 0.000 1.793 720 H HN 0.428 nan 8.280 nan 0.000 0.551 721 G N 1.826 110.618 108.800 -0.013 0.000 2.593 721 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.237 721 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.237 721 G C -1.017 173.842 174.900 -0.068 0.000 1.312 721 G CA -0.049 45.010 45.100 -0.068 0.000 0.896 721 G HN 0.802 nan 8.290 nan 0.000 0.574 722 D N 1.191 121.547 120.400 -0.074 0.000 2.389 722 D HA 0.516 5.155 4.640 -0.001 0.000 0.247 722 D C 0.989 177.253 176.300 -0.060 0.000 1.128 722 D CA 0.323 54.289 54.000 -0.058 0.000 0.884 722 D CB 0.798 41.564 40.800 -0.057 0.000 1.194 722 D HN 0.476 nan 8.370 nan 0.000 0.441 723 R N 0.566 121.042 120.500 -0.039 0.000 2.474 723 R HA 0.334 4.674 4.340 -0.001 0.000 0.295 723 R C 0.063 176.353 176.300 -0.016 0.000 0.980 723 R CA -0.507 55.579 56.100 -0.024 0.000 0.934 723 R CB 1.080 31.376 30.300 -0.006 0.000 1.101 723 R HN 0.237 nan 8.270 nan 0.000 0.469 724 S N 0.606 116.307 115.700 0.001 0.000 2.558 724 S HA 0.408 4.878 4.470 -0.001 0.000 0.288 724 S C 0.412 175.031 174.600 0.032 0.000 1.318 724 S CA 0.272 58.490 58.200 0.030 0.000 1.056 724 S CB 0.971 64.219 63.200 0.081 0.000 0.853 724 S HN 0.760 nan 8.310 nan 0.000 0.505 725 G N 0.105 108.924 108.800 0.032 0.000 2.947 725 G HA2 0.596 4.555 3.960 -0.001 0.000 0.293 725 G HA3 0.596 4.555 3.960 -0.001 0.000 0.293 725 G C 0.598 175.510 174.900 0.019 0.000 1.243 725 G CA -0.138 44.985 45.100 0.038 0.000 0.802 725 G HN 0.703 nan 8.290 nan 0.000 0.560 726 A N -1.248 121.561 122.820 -0.019 0.000 1.978 726 A HA 0.045 4.364 4.320 -0.001 0.000 0.220 726 A C 1.929 179.388 177.584 -0.209 0.000 1.170 726 A CA 2.088 54.042 52.037 -0.139 0.000 0.636 726 A CB -0.651 18.188 19.000 -0.269 0.000 0.810 726 A HN 0.593 nan 8.150 nan 0.000 0.448 727 Y N -0.859 119.392 120.300 -0.082 0.000 2.266 727 Y HA 0.343 4.893 4.550 -0.001 0.000 0.294 727 Y C 0.870 176.683 175.900 -0.144 0.000 1.127 727 Y CA 0.040 58.028 58.100 -0.186 0.000 1.140 727 Y CB -0.139 37.883 38.460 -0.730 0.000 1.071 727 Y HN 0.021 nan 8.280 nan 0.000 0.525 728 L N 0.561 121.763 121.223 -0.035 0.000 2.307 728 L HA 0.218 4.558 4.340 -0.001 0.000 0.282 728 L C -1.147 175.777 176.870 0.091 0.000 1.051 728 L CA -0.583 54.235 54.840 -0.037 0.000 0.804 728 L CB 0.963 42.945 42.059 -0.129 0.000 1.197 728 L HN 0.027 nan 8.230 nan 0.000 0.431 729 F N 5.049 124.945 119.950 -0.091 0.000 2.332 729 F HA 0.478 5.005 4.527 -0.001 0.000 0.368 729 F C -0.701 175.019 175.800 -0.134 0.000 1.110 729 F CA -1.150 56.755 58.000 -0.158 0.000 1.087 729 F CB 0.618 39.458 39.000 -0.267 0.000 1.235 729 F HN 0.220 nan 8.300 nan 0.000 0.470 730 L N 9.113 130.232 121.223 -0.173 0.000 2.556 730 L HA 0.334 4.674 4.340 -0.001 0.000 0.243 730 L C -2.336 174.354 176.870 -0.301 0.000 1.331 730 L CA -1.733 52.950 54.840 -0.262 0.000 0.927 730 L CB 0.969 42.959 42.059 -0.115 0.000 1.219 730 L HN 0.388 nan 8.230 nan 0.000 0.490 731 P HA 0.037 nan 4.420 nan 0.000 0.272 731 P C -0.497 176.721 177.300 -0.136 0.000 1.223 731 P CA -0.302 62.609 63.100 -0.315 0.000 0.784 731 P CB 0.582 31.973 31.700 -0.515 0.000 0.923 732 N N 1.133 119.824 118.700 -0.015 0.000 3.303 732 N HA 0.261 5.000 4.740 -0.001 0.000 0.304 732 N C 0.682 176.208 175.510 0.027 0.000 1.302 732 N CA -0.111 52.936 53.050 -0.005 0.000 1.213 732 N CB -0.916 37.579 38.487 0.014 0.000 1.481 732 N HN 0.746 nan 8.380 nan 0.000 0.546 733 G N 0.956 109.765 108.800 0.016 0.000 2.710 733 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.668 733 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.668 733 G C -2.995 171.977 174.900 0.119 0.000 1.320 733 G CA -1.059 44.066 45.100 0.042 0.000 0.860 733 G HN 0.402 nan 8.290 nan 0.000 0.538 734 P HA 0.452 nan 4.420 nan 0.000 0.269 734 P C 0.535 177.795 177.300 -0.065 0.000 1.217 734 P CA 0.638 63.797 63.100 0.099 0.000 0.783 734 P CB 0.303 32.031 31.700 0.045 0.000 0.898 735 A N 1.986 124.582 122.820 -0.373 0.000 2.425 735 A HA 0.369 4.688 4.320 -0.001 0.000 0.242 735 A C 0.220 177.655 177.584 -0.249 0.000 1.077 735 A CA 0.267 51.933 52.037 -0.618 0.000 0.781 735 A CB -0.279 18.099 19.000 -1.037 0.000 1.020 735 A HN 0.472 nan 8.150 nan 0.000 0.494 736 S N 2.492 118.086 115.700 -0.177 0.000 2.475 736 S HA 0.570 5.040 4.470 -0.001 0.000 0.298 736 S C -2.673 171.892 174.600 -0.059 0.000 1.119 736 S CA -1.005 57.147 58.200 -0.081 0.000 1.085 736 S CB 1.265 64.441 63.200 -0.041 0.000 1.028 736 S HN 0.568 nan 8.310 nan 0.000 0.489 737 P HA 0.065 nan 4.420 nan 0.000 0.265 737 P C -0.660 176.648 177.300 0.014 0.000 1.193 737 P CA -0.257 62.843 63.100 -0.000 0.000 0.765 737 P CB 0.258 31.968 31.700 0.017 0.000 0.823 738 V N 4.219 124.154 119.914 0.035 0.000 2.585 738 V HA -0.028 4.092 4.120 -0.001 0.000 0.296 738 V C 1.045 177.156 176.094 0.028 0.000 1.035 738 V CA 0.238 62.557 62.300 0.032 0.000 1.084 738 V CB -0.215 31.633 31.823 0.041 0.000 0.953 738 V HN 0.480 nan 8.190 nan 0.000 0.483 739 E N 5.088 125.299 120.200 0.018 0.000 2.265 739 E HA 0.130 4.479 4.350 -0.001 0.000 0.272 739 E C 0.590 177.199 176.600 0.016 0.000 1.067 739 E CA 0.021 56.433 56.400 0.020 0.000 0.900 739 E CB 1.118 30.828 29.700 0.017 0.000 1.017 739 E HN 0.551 nan 8.360 nan 0.000 0.431 740 L N 1.986 123.224 121.223 0.025 0.000 2.477 740 L HA 0.076 4.416 4.340 -0.001 0.000 0.220 740 L C 1.436 178.322 176.870 0.026 0.000 1.106 740 L CA 0.528 55.380 54.840 0.020 0.000 0.851 740 L CB -0.427 41.654 42.059 0.036 0.000 0.994 740 L HN 0.766 nan 8.230 nan 0.000 0.462 741 G N 0.934 109.753 108.800 0.032 0.000 2.574 741 G HA2 -0.340 3.619 3.960 -0.001 0.000 0.286 741 G HA3 -0.340 3.619 3.960 -0.001 0.000 0.286 741 G C 0.031 174.957 174.900 0.044 0.000 1.212 741 G CA -0.078 45.045 45.100 0.037 0.000 0.979 741 G HN 0.410 nan 8.290 nan 0.000 0.557 742 Q N 1.629 121.459 119.800 0.049 0.000 2.644 742 Q HA 0.370 4.710 4.340 -0.001 0.000 0.245 742 Q C -2.225 173.816 176.000 0.068 0.000 1.064 742 Q CA -1.443 54.394 55.803 0.055 0.000 0.860 742 Q CB 1.859 30.627 28.738 0.050 0.000 1.145 742 Q HN 0.567 nan 8.270 nan 0.000 0.515 743 P HA 0.124 nan 4.420 nan 0.000 0.274 743 P C -0.239 177.129 177.300 0.114 0.000 1.237 743 P CA -0.366 62.785 63.100 0.085 0.000 0.793 743 P CB 1.164 32.896 31.700 0.054 0.000 0.977 744 V N 2.124 122.142 119.914 0.173 0.000 2.488 744 V HA 0.135 4.255 4.120 -0.001 0.000 0.277 744 V C 0.497 176.742 176.094 0.253 0.000 1.046 744 V CA -0.252 62.172 62.300 0.206 0.000 0.986 744 V CB 1.199 33.178 31.823 0.260 0.000 0.989 744 V HN 0.262 nan 8.190 nan 0.000 0.475 745 V N 6.363 126.371 119.914 0.156 0.000 2.448 745 V HA 0.474 4.594 4.120 -0.001 0.000 0.295 745 V C -0.424 175.692 176.094 0.037 0.000 1.025 745 V CA -0.625 61.744 62.300 0.115 0.000 0.859 745 V CB 1.685 33.537 31.823 0.049 0.000 0.988 745 V HN 0.670 nan 8.190 nan 0.000 0.431 746 L N 6.645 127.885 121.223 0.029 0.000 2.305 746 L HA 0.734 5.073 4.340 -0.001 0.000 0.284 746 L C -0.631 176.133 176.870 -0.177 0.000 1.013 746 L CA -0.007 54.730 54.840 -0.171 0.000 0.819 746 L CB 1.772 43.635 42.059 -0.326 0.000 1.227 746 L HN 0.441 nan 8.230 nan 0.000 0.417 747 V N 4.085 123.885 119.914 -0.190 0.000 2.384 747 V HA 0.542 4.662 4.120 -0.001 0.000 0.287 747 V C -0.024 176.006 176.094 -0.107 0.000 1.020 747 V CA -0.405 61.805 62.300 -0.151 0.000 0.850 747 V CB 1.568 33.317 31.823 -0.123 0.000 0.987 747 V HN 0.840 nan 8.190 nan 0.000 0.436 748 T N 5.354 119.873 114.554 -0.058 0.000 2.770 748 T HA 0.426 4.775 4.350 -0.001 0.000 0.283 748 T C -0.375 174.356 174.700 0.051 0.000 0.988 748 T CA -0.547 61.573 62.100 0.033 0.000 0.957 748 T CB 1.088 70.015 68.868 0.098 0.000 0.930 748 T HN 0.642 nan 8.240 nan 0.000 0.443 749 K N 2.488 122.933 120.400 0.076 0.000 2.394 749 K HA 0.668 4.987 4.320 -0.001 0.000 0.260 749 K C -0.334 176.325 176.600 0.100 0.000 0.967 749 K CA -0.568 55.764 56.287 0.075 0.000 0.855 749 K CB 0.922 33.460 32.500 0.063 0.000 1.101 749 K HN 0.790 nan 8.250 nan 0.000 0.433 750 G N 2.194 111.050 108.800 0.093 0.000 2.605 750 G HA2 0.172 4.132 3.960 -0.001 0.000 0.296 750 G HA3 0.172 4.132 3.960 -0.001 0.000 0.296 750 G C -0.185 174.760 174.900 0.076 0.000 1.304 750 G CA -0.612 44.545 45.100 0.094 0.000 0.941 750 G HN 0.650 nan 8.290 nan 0.000 0.475 751 K N -0.225 120.215 120.400 0.067 0.000 2.097 751 K HA 0.102 4.421 4.320 -0.001 0.000 0.205 751 K C 1.730 178.365 176.600 0.059 0.000 1.050 751 K CA 1.039 57.361 56.287 0.059 0.000 0.938 751 K CB -0.133 32.398 32.500 0.052 0.000 0.718 751 K HN 0.444 nan 8.250 nan 0.000 0.442 752 L N -0.768 120.492 121.223 0.061 0.000 2.357 752 L HA 0.196 4.536 4.340 -0.001 0.000 0.211 752 L C 0.590 177.495 176.870 0.059 0.000 1.075 752 L CA 0.118 54.994 54.840 0.060 0.000 0.830 752 L CB 0.376 42.473 42.059 0.064 0.000 0.996 752 L HN 0.145 nan 8.230 nan 0.000 0.467 753 E N -0.236 120.003 120.200 0.066 0.000 2.321 753 E HA 0.391 4.740 4.350 -0.001 0.000 0.281 753 E C -1.473 175.173 176.600 0.076 0.000 0.910 753 E CA -0.210 56.230 56.400 0.067 0.000 0.770 753 E CB 2.110 31.848 29.700 0.065 0.000 1.225 753 E HN -0.114 nan 8.360 nan 0.000 0.417 754 S N 1.276 117.019 115.700 0.072 0.000 2.634 754 S HA 0.796 5.265 4.470 -0.001 0.000 0.296 754 S C -1.245 173.383 174.600 0.048 0.000 1.104 754 S CA -0.681 57.558 58.200 0.065 0.000 0.920 754 S CB 1.782 65.021 63.200 0.066 0.000 1.111 754 S HN 0.624 nan 8.310 nan 0.000 0.493 755 S N -0.225 115.481 115.700 0.010 0.000 2.565 755 S HA 0.730 5.200 4.470 -0.001 0.000 0.269 755 S C -1.717 172.799 174.600 -0.141 0.000 1.153 755 S CA -0.751 57.429 58.200 -0.033 0.000 0.835 755 S CB 1.019 64.221 63.200 0.003 0.000 1.122 755 S HN 0.459 nan 8.310 nan 0.000 0.462 756 V N 1.816 121.586 119.914 -0.241 0.000 2.444 756 V HA 0.742 4.862 4.120 -0.001 0.000 0.294 756 V C -0.488 175.479 176.094 -0.212 0.000 1.022 756 V CA -0.401 61.686 62.300 -0.354 0.000 0.850 756 V CB 1.571 32.866 31.823 -0.879 0.000 0.992 756 V HN 0.987 nan 8.190 nan 0.000 0.426 757 S N 3.190 118.821 115.700 -0.114 0.000 2.521 757 S HA 0.779 5.248 4.470 -0.001 0.000 0.295 757 S C -0.841 173.712 174.600 -0.078 0.000 1.098 757 S CA -0.615 57.529 58.200 -0.092 0.000 0.999 757 S CB 2.148 65.392 63.200 0.073 0.000 1.034 757 S HN 0.651 nan 8.310 nan 0.000 0.483 758 V N 2.139 121.890 119.914 -0.272 0.000 2.760 758 V HA 0.811 4.930 4.120 -0.001 0.000 0.309 758 V C -0.011 175.745 176.094 -0.562 0.000 1.077 758 V CA -0.430 61.726 62.300 -0.241 0.000 0.910 758 V CB 1.780 33.583 31.823 -0.033 0.000 1.008 758 V HN 0.994 nan 8.190 nan 0.000 0.424 759 G N 7.051 115.555 108.800 -0.493 0.000 2.546 759 G HA2 0.529 4.488 3.960 -0.001 0.000 0.320 759 G HA3 0.529 4.488 3.960 -0.001 0.000 0.320 759 G C -0.560 174.234 174.900 -0.177 0.000 0.984 759 G CA -0.325 44.530 45.100 -0.409 0.000 1.183 759 G HN 0.693 nan 8.290 nan 0.000 0.443 760 L N 2.758 123.829 121.223 -0.253 0.000 2.387 760 L HA 0.396 4.735 4.340 -0.001 0.000 0.266 760 L C -2.010 174.740 176.870 -0.201 0.000 1.059 760 L CA -2.377 52.336 54.840 -0.212 0.000 0.801 760 L CB 1.848 43.710 42.059 -0.329 0.000 1.223 760 L HN 0.204 nan 8.230 nan 0.000 0.456 761 P HA 0.042 nan 4.420 nan 0.000 0.262 761 P C 0.077 177.269 177.300 -0.179 0.000 1.199 761 P CA 0.503 63.519 63.100 -0.141 0.000 0.763 761 P CB 0.791 32.436 31.700 -0.091 0.000 0.790 762 S N -0.143 115.453 115.700 -0.174 0.000 2.769 762 S HA -0.114 4.355 4.470 -0.001 0.000 0.264 762 S C 0.215 174.695 174.600 -0.199 0.000 1.288 762 S CA 1.227 59.333 58.200 -0.157 0.000 1.378 762 S CB -1.574 61.561 63.200 -0.108 0.000 1.702 762 S HN 0.400 nan 8.310 nan 0.000 0.656 763 V N 1.306 121.046 119.914 -0.291 0.000 2.655 763 V HA 0.452 4.572 4.120 -0.001 0.000 0.301 763 V C -0.223 175.640 176.094 -0.385 0.000 1.082 763 V CA -0.832 61.255 62.300 -0.356 0.000 0.899 763 V CB 2.087 33.540 31.823 -0.617 0.000 1.014 763 V HN 0.116 nan 8.190 nan 0.000 0.429 764 V N 3.997 123.695 119.914 -0.358 0.000 2.368 764 V HA 0.318 4.437 4.120 -0.001 0.000 0.266 764 V C -0.127 175.758 176.094 -0.349 0.000 1.045 764 V CA -0.311 61.681 62.300 -0.513 0.000 0.899 764 V CB 0.640 32.033 31.823 -0.717 0.000 1.006 764 V HN 0.938 nan 8.190 nan 0.000 0.470 765 H N 4.438 123.253 119.070 -0.424 0.000 2.488 765 H HA 0.585 5.140 4.556 -0.001 0.000 0.322 765 H C -0.411 174.803 175.328 -0.191 0.000 1.078 765 H CA -0.183 55.718 56.048 -0.244 0.000 1.260 765 H CB 1.178 30.827 29.762 -0.188 0.000 1.425 765 H HN 0.692 nan 8.280 nan 0.000 0.471 766 Q N 4.000 123.499 119.800 -0.502 0.000 2.323 766 Q HA 0.379 4.719 4.340 -0.001 0.000 0.271 766 Q C -1.331 174.466 176.000 -0.337 0.000 1.048 766 Q CA -0.920 54.675 55.803 -0.346 0.000 0.792 766 Q CB 1.645 30.283 28.738 -0.167 0.000 1.280 766 Q HN 0.755 nan 8.270 nan 0.000 0.441 767 T N 4.865 119.305 114.554 -0.190 0.000 2.770 767 T HA 0.537 4.886 4.350 -0.001 0.000 0.283 767 T C -0.348 174.381 174.700 0.049 0.000 0.988 767 T CA -0.324 61.782 62.100 0.009 0.000 0.957 767 T CB 0.306 69.343 68.868 0.281 0.000 0.930 767 T HN 0.453 nan 8.240 nan 0.000 0.443 768 I N 3.700 124.311 120.570 0.068 0.000 2.433 768 I HA 0.496 4.665 4.170 -0.001 0.000 0.292 768 I C -0.211 175.960 176.117 0.090 0.000 1.001 768 I CA -0.805 60.534 61.300 0.066 0.000 1.119 768 I CB 1.737 39.765 38.000 0.047 0.000 1.289 768 I HN 0.385 nan 8.210 nan 0.000 0.438 769 M N 5.921 125.574 119.600 0.089 0.000 2.253 769 M HA 0.493 4.972 4.480 -0.001 0.000 0.314 769 M C 0.131 176.473 176.300 0.070 0.000 1.019 769 M CA -0.370 54.985 55.300 0.092 0.000 0.932 769 M CB 2.203 34.873 32.600 0.116 0.000 1.606 769 M HN 0.498 nan 8.290 nan 0.000 0.430 770 R N 1.059 121.594 120.500 0.059 0.000 2.572 770 R HA 0.355 4.694 4.340 -0.001 0.000 0.370 770 R C 0.812 177.139 176.300 0.045 0.000 1.005 770 R CA 0.243 56.371 56.100 0.047 0.000 1.146 770 R CB 1.133 31.454 30.300 0.034 0.000 1.390 770 R HN 1.150 nan 8.270 nan 0.000 0.553 771 G N -0.320 108.508 108.800 0.048 0.000 2.211 771 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.201 771 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.201 771 G C 0.284 175.204 174.900 0.033 0.000 0.997 771 G CA -0.388 44.737 45.100 0.041 0.000 0.652 771 G HN 0.518 nan 8.290 nan 0.000 0.500 772 G N -0.103 108.717 108.800 0.034 0.000 3.252 772 G HA2 0.801 4.761 3.960 -0.001 0.000 0.181 772 G HA3 0.801 4.761 3.960 -0.001 0.000 0.181 772 G C 0.454 175.373 174.900 0.032 0.000 1.187 772 G CA 0.413 45.529 45.100 0.026 0.000 0.886 772 G HN 1.530 nan 8.290 nan 0.000 0.615 773 A N 1.360 124.196 122.820 0.027 0.000 2.540 773 A HA 0.508 4.827 4.320 -0.001 0.000 0.239 773 A C -1.717 175.902 177.584 0.059 0.000 1.061 773 A CA -0.422 51.637 52.037 0.036 0.000 0.758 773 A CB -0.463 18.555 19.000 0.030 0.000 0.991 773 A HN 0.397 nan 8.150 nan 0.000 0.502 774 P HA 0.125 nan 4.420 nan 0.000 0.272 774 P C -0.444 176.924 177.300 0.113 0.000 1.230 774 P CA -0.191 62.973 63.100 0.105 0.000 0.788 774 P CB 0.639 32.424 31.700 0.142 0.000 0.949 775 E N 1.330 121.593 120.200 0.106 0.000 2.191 775 E HA 0.368 4.717 4.350 -0.001 0.000 0.278 775 E C -0.771 175.902 176.600 0.121 0.000 0.972 775 E CA -0.704 55.762 56.400 0.109 0.000 0.804 775 E CB 0.549 30.291 29.700 0.069 0.000 1.110 775 E HN 0.213 nan 8.360 nan 0.000 0.394 776 I N 4.208 124.882 120.570 0.173 0.000 2.404 776 I HA 0.406 4.575 4.170 -0.001 0.000 0.293 776 I C -0.011 176.223 176.117 0.196 0.000 0.992 776 I CA -0.606 60.777 61.300 0.137 0.000 1.149 776 I CB 1.260 39.347 38.000 0.145 0.000 1.315 776 I HN 0.554 nan 8.210 nan 0.000 0.446 777 R N 4.670 125.214 120.500 0.073 0.000 2.561 777 R HA 0.511 4.850 4.340 -0.001 0.000 0.297 777 R C -0.947 175.399 176.300 0.077 0.000 0.969 777 R CA -0.857 55.300 56.100 0.095 0.000 0.879 777 R CB 2.054 32.368 30.300 0.025 0.000 1.178 777 R HN 0.457 nan 8.270 nan 0.000 0.445 778 N N 2.605 121.409 118.700 0.173 0.000 2.442 778 N HA 0.197 4.937 4.740 -0.001 0.000 0.274 778 N C -1.301 174.220 175.510 0.019 0.000 1.002 778 N CA -0.699 52.429 53.050 0.131 0.000 0.910 778 N CB 1.908 40.576 38.487 0.303 0.000 1.244 778 N HN 0.336 nan 8.380 nan 0.000 0.492 779 L N 3.667 124.843 121.223 -0.078 0.000 2.282 779 L HA 0.382 4.721 4.340 -0.001 0.000 0.287 779 L C -1.023 175.775 176.870 -0.121 0.000 1.075 779 L CA -0.445 54.329 54.840 -0.109 0.000 0.839 779 L CB 0.446 42.429 42.059 -0.126 0.000 1.219 779 L HN 0.212 nan 8.230 nan 0.000 0.434 780 V N 4.554 124.402 119.914 -0.110 0.000 2.350 780 V HA 0.381 4.500 4.120 -0.001 0.000 0.276 780 V C -0.469 175.584 176.094 -0.069 0.000 1.028 780 V CA -0.489 61.762 62.300 -0.082 0.000 0.860 780 V CB 1.258 33.065 31.823 -0.028 0.000 0.990 780 V HN 0.683 nan 8.190 nan 0.000 0.453 781 D N 3.995 124.352 120.400 -0.071 0.000 2.375 781 D HA 0.271 4.910 4.640 -0.001 0.000 0.259 781 D C 0.561 176.832 176.300 -0.047 0.000 1.235 781 D CA -0.402 53.566 54.000 -0.053 0.000 0.924 781 D CB 1.338 42.101 40.800 -0.062 0.000 1.143 781 D HN 0.464 nan 8.370 nan 0.000 0.529 782 I N 2.301 122.861 120.570 -0.017 0.000 2.916 782 I HA 0.050 4.219 4.170 -0.001 0.000 0.267 782 I C 1.381 177.491 176.117 -0.011 0.000 1.263 782 I CA 1.156 62.452 61.300 -0.006 0.000 1.471 782 I CB -0.210 37.807 38.000 0.028 0.000 1.089 782 I HN 0.621 nan 8.210 nan 0.000 0.468 783 G N 0.758 109.549 108.800 -0.016 0.000 2.583 783 G HA2 -0.424 3.536 3.960 -0.001 0.000 0.292 783 G HA3 -0.424 3.536 3.960 -0.001 0.000 0.292 783 G C 0.570 175.470 174.900 0.000 0.000 1.203 783 G CA 0.456 45.546 45.100 -0.016 0.000 0.987 783 G HN 0.672 nan 8.290 nan 0.000 0.554 784 S N -0.039 115.661 115.700 0.001 0.000 2.583 784 S HA 0.524 4.994 4.470 -0.001 0.000 0.239 784 S C 0.875 175.483 174.600 0.014 0.000 0.966 784 S CA 0.109 58.316 58.200 0.011 0.000 0.973 784 S CB 0.063 63.271 63.200 0.013 0.000 0.794 784 S HN 0.695 nan 8.310 nan 0.000 0.463 785 L N 3.016 124.247 121.223 0.012 0.000 2.451 785 L HA 0.244 4.584 4.340 -0.001 0.000 0.272 785 L C -0.345 176.544 176.870 0.031 0.000 1.258 785 L CA -0.311 54.541 54.840 0.019 0.000 1.132 785 L CB -0.797 41.271 42.059 0.016 0.000 1.361 785 L HN 0.139 nan 8.230 nan 0.000 0.438 786 D N 2.561 122.980 120.400 0.031 0.000 2.423 786 D HA -0.018 4.621 4.640 -0.001 0.000 0.238 786 D C 0.729 177.055 176.300 0.044 0.000 1.142 786 D CA 0.342 54.364 54.000 0.036 0.000 0.884 786 D CB 0.315 41.134 40.800 0.032 0.000 1.199 786 D HN 0.305 nan 8.370 nan 0.000 0.438 787 N N 0.499 119.230 118.700 0.050 0.000 2.725 787 N HA -0.174 4.565 4.740 -0.001 0.000 0.251 787 N C -0.951 174.605 175.510 0.076 0.000 1.031 787 N CA 0.858 53.944 53.050 0.060 0.000 0.720 787 N CB -1.226 37.291 38.487 0.051 0.000 0.930 787 N HN 0.295 nan 8.380 nan 0.000 0.543 788 T N 0.416 115.019 114.554 0.081 0.000 2.916 788 T HA 0.422 4.771 4.350 -0.001 0.000 0.298 788 T C -0.279 174.488 174.700 0.112 0.000 1.031 788 T CA -0.731 61.427 62.100 0.098 0.000 0.993 788 T CB 2.323 71.234 68.868 0.072 0.000 1.045 788 T HN 0.029 nan 8.240 nan 0.000 0.454 789 E N 2.467 122.762 120.200 0.160 0.000 2.191 789 E HA 0.440 4.790 4.350 -0.001 0.000 0.263 789 E C -0.740 175.977 176.600 0.196 0.000 0.881 789 E CA -0.633 55.859 56.400 0.154 0.000 0.757 789 E CB 2.244 32.013 29.700 0.115 0.000 1.147 789 E HN 0.494 nan 8.360 nan 0.000 0.414 790 I N 2.890 123.557 120.570 0.162 0.000 2.325 790 I HA 0.210 4.379 4.170 -0.001 0.000 0.291 790 I C -0.201 176.047 176.117 0.218 0.000 1.019 790 I CA -0.751 60.656 61.300 0.179 0.000 1.302 790 I CB 1.312 39.405 38.000 0.155 0.000 1.401 790 I HN 0.203 nan 8.210 nan 0.000 0.485 791 V N 8.137 128.181 119.914 0.216 0.000 2.628 791 V HA 0.488 4.608 4.120 -0.001 0.000 0.306 791 V C -0.390 175.733 176.094 0.048 0.000 1.045 791 V CA -0.724 61.687 62.300 0.185 0.000 0.905 791 V CB 2.009 33.998 31.823 0.275 0.000 0.997 791 V HN 0.746 nan 8.190 nan 0.000 0.436 792 M N 7.232 126.783 119.600 -0.082 0.000 2.129 792 M HA 0.562 5.042 4.480 -0.001 0.000 0.348 792 M C -0.557 175.590 176.300 -0.255 0.000 1.116 792 M CA -0.428 54.596 55.300 -0.462 0.000 1.022 792 M CB 0.612 32.897 32.600 -0.525 0.000 1.599 792 M HN 0.744 nan 8.290 nan 0.000 0.449 793 R N 4.693 125.028 120.500 -0.274 0.000 2.637 793 R HA 0.694 5.033 4.340 -0.001 0.000 0.291 793 R C -1.961 174.242 176.300 -0.163 0.000 0.963 793 R CA -0.625 55.382 56.100 -0.156 0.000 0.901 793 R CB 1.491 31.718 30.300 -0.122 0.000 1.160 793 R HN 0.806 nan 8.270 nan 0.000 0.457 794 L N 3.331 124.442 121.223 -0.186 0.000 2.313 794 L HA 0.420 4.759 4.340 -0.001 0.000 0.283 794 L C -0.520 176.236 176.870 -0.191 0.000 1.013 794 L CA -0.417 54.243 54.840 -0.300 0.000 0.816 794 L CB 1.939 43.777 42.059 -0.368 0.000 1.236 794 L HN 0.608 nan 8.230 nan 0.000 0.419 795 E N 2.170 122.271 120.200 -0.164 0.000 2.145 795 E HA 0.499 4.848 4.350 -0.001 0.000 0.270 795 E C -0.578 175.965 176.600 -0.096 0.000 0.906 795 E CA -0.477 55.876 56.400 -0.078 0.000 0.761 795 E CB 2.087 31.786 29.700 -0.002 0.000 1.116 795 E HN 0.614 nan 8.360 nan 0.000 0.408 796 T N -0.950 113.560 114.554 -0.074 0.000 2.804 796 T HA 0.287 4.636 4.350 -0.001 0.000 0.290 796 T C 0.260 174.975 174.700 0.025 0.000 1.099 796 T CA -0.700 61.340 62.100 -0.099 0.000 1.011 796 T CB 1.151 69.972 68.868 -0.078 0.000 1.291 796 T HN 0.391 nan 8.240 nan 0.000 0.523 797 H N -0.300 118.759 119.070 -0.019 0.000 2.539 797 H HA 0.454 5.010 4.556 -0.001 0.000 0.269 797 H C 0.495 175.821 175.328 -0.004 0.000 0.980 797 H CA -0.837 55.205 56.048 -0.010 0.000 1.152 797 H CB -0.370 29.386 29.762 -0.010 0.000 1.407 797 H HN 0.465 nan 8.280 nan 0.000 0.564 798 I N 1.744 122.380 120.570 0.111 0.000 2.741 798 I HA -0.142 4.028 4.170 -0.001 0.000 0.288 798 I C 0.750 176.907 176.117 0.068 0.000 1.192 798 I CA 0.391 61.735 61.300 0.074 0.000 1.426 798 I CB 0.379 38.411 38.000 0.054 0.000 1.367 798 I HN -0.009 nan 8.210 nan 0.000 0.563 799 D N 4.884 125.318 120.400 0.058 0.000 2.688 799 D HA 0.025 4.665 4.640 -0.001 0.000 0.228 799 D C 1.258 177.595 176.300 0.060 0.000 1.116 799 D CA -0.001 54.029 54.000 0.049 0.000 1.023 799 D CB 0.318 41.138 40.800 0.034 0.000 1.100 799 D HN 0.560 nan 8.370 nan 0.000 0.487 800 S N 0.165 115.907 115.700 0.071 0.000 2.496 800 S HA 0.230 4.699 4.470 -0.001 0.000 0.224 800 S C 1.596 176.245 174.600 0.082 0.000 0.996 800 S CA 0.317 58.572 58.200 0.093 0.000 0.927 800 S CB -0.147 63.120 63.200 0.112 0.000 0.774 800 S HN 0.521 nan 8.310 nan 0.000 0.524 801 G N 3.182 112.019 108.800 0.062 0.000 2.565 801 G HA2 -0.389 3.571 3.960 -0.001 0.000 0.295 801 G HA3 -0.389 3.571 3.960 -0.001 0.000 0.295 801 G C 0.141 175.080 174.900 0.066 0.000 1.165 801 G CA 0.572 45.705 45.100 0.055 0.000 0.977 801 G HN 0.762 nan 8.290 nan 0.000 0.546 802 D N 0.216 120.659 120.400 0.072 0.000 2.402 802 D HA 0.344 4.983 4.640 -0.001 0.000 0.216 802 D C 0.703 177.081 176.300 0.131 0.000 1.128 802 D CA -0.206 53.854 54.000 0.099 0.000 0.833 802 D CB 0.258 41.103 40.800 0.074 0.000 0.971 802 D HN 0.448 nan 8.370 nan 0.000 0.503 803 I N 1.519 122.151 120.570 0.103 0.000 2.392 803 I HA 0.487 4.657 4.170 -0.001 0.000 0.295 803 I C -0.242 175.956 176.117 0.137 0.000 0.985 803 I CA -1.094 60.214 61.300 0.013 0.000 1.221 803 I CB 0.590 38.566 38.000 -0.041 0.000 1.366 803 I HN -0.033 nan 8.210 nan 0.000 0.467 804 F N 4.604 124.377 119.950 -0.296 0.000 2.711 804 F HA 0.701 5.228 4.527 -0.001 0.000 0.313 804 F C -2.042 173.403 175.800 -0.591 0.000 1.141 804 F CA -1.428 56.414 58.000 -0.264 0.000 0.941 804 F CB 1.227 40.144 39.000 -0.137 0.000 1.349 804 F HN 0.186 nan 8.300 nan 0.000 0.464 805 Y N 0.069 120.142 120.300 -0.379 0.000 2.425 805 Y HA 0.671 5.220 4.550 -0.001 0.000 0.344 805 Y C 0.019 175.739 175.900 -0.299 0.000 0.969 805 Y CA -0.719 57.023 58.100 -0.596 0.000 1.052 805 Y CB 2.419 40.111 38.460 -1.279 0.000 1.215 805 Y HN 0.896 nan 8.280 nan 0.000 0.451 806 T N -1.262 113.217 114.554 -0.125 0.000 2.906 806 T HA 0.478 4.827 4.350 -0.001 0.000 0.295 806 T C -1.018 173.504 174.700 -0.297 0.000 1.075 806 T CA -1.069 60.974 62.100 -0.094 0.000 1.005 806 T CB 1.999 70.787 68.868 -0.133 0.000 1.136 806 T HN 0.586 nan 8.240 nan 0.000 0.498 807 D N 1.236 121.309 120.400 -0.545 0.000 2.340 807 D HA 0.346 4.986 4.640 -0.001 0.000 0.251 807 D C -0.587 175.451 176.300 -0.436 0.000 1.080 807 D CA -0.797 52.703 54.000 -0.833 0.000 0.971 807 D CB 1.218 41.273 40.800 -1.241 0.000 1.137 807 D HN 0.558 nan 8.370 nan 0.000 0.475 808 L N 0.996 122.004 121.223 -0.358 0.000 2.316 808 L HA 0.214 4.553 4.340 -0.001 0.000 0.280 808 L C -0.109 176.639 176.870 -0.203 0.000 1.006 808 L CA -0.773 53.944 54.840 -0.204 0.000 0.836 808 L CB 0.409 42.411 42.059 -0.095 0.000 1.221 808 L HN 0.458 nan 8.230 nan 0.000 0.418 809 N N 2.115 120.703 118.700 -0.188 0.000 2.714 809 N HA -0.229 4.510 4.740 -0.001 0.000 0.250 809 N C 0.973 176.277 175.510 -0.344 0.000 1.117 809 N CA 0.914 53.853 53.050 -0.185 0.000 0.719 809 N CB -1.068 37.384 38.487 -0.059 0.000 1.081 809 N HN 1.074 nan 8.380 nan 0.000 0.557 810 G N -1.660 106.939 108.800 -0.335 0.000 2.155 810 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.257 810 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.257 810 G C 0.616 175.481 174.900 -0.058 0.000 0.983 810 G CA 0.667 45.593 45.100 -0.289 0.000 0.676 810 G HN 0.478 nan 8.290 nan 0.000 0.528 811 L N -0.359 120.770 121.223 -0.156 0.000 2.467 811 L HA 0.499 4.839 4.340 -0.001 0.000 0.213 811 L C 0.985 177.737 176.870 -0.197 0.000 1.053 811 L CA 1.969 56.634 54.840 -0.292 0.000 0.847 811 L CB 0.154 41.886 42.059 -0.544 0.000 1.075 811 L HN 0.710 nan 8.230 nan 0.000 0.479 812 Q N -1.788 117.904 119.800 -0.181 0.000 2.472 812 Q HA 0.350 4.690 4.340 -0.001 0.000 0.281 812 Q C -1.700 174.192 176.000 -0.179 0.000 0.997 812 Q CA -0.732 55.030 55.803 -0.068 0.000 0.828 812 Q CB 1.082 29.837 28.738 0.030 0.000 1.443 812 Q HN -0.044 nan 8.270 nan 0.000 0.390 813 F N 1.383 121.292 119.950 -0.068 0.000 2.436 813 F HA 0.594 5.121 4.527 -0.001 0.000 0.340 813 F C -0.150 175.614 175.800 -0.061 0.000 1.113 813 F CA -0.825 57.144 58.000 -0.052 0.000 1.022 813 F CB 1.633 40.645 39.000 0.020 0.000 1.128 813 F HN 0.534 nan 8.300 nan 0.000 0.466 814 I N 3.854 124.432 120.570 0.014 0.000 2.474 814 I HA 0.326 4.495 4.170 -0.001 0.000 0.294 814 I C -0.437 175.549 176.117 -0.218 0.000 1.005 814 I CA -0.871 60.386 61.300 -0.072 0.000 1.113 814 I CB 1.244 39.155 38.000 -0.149 0.000 1.289 814 I HN 0.498 nan 8.210 nan 0.000 0.436 815 K N 6.840 127.071 120.400 -0.281 0.000 2.412 815 K HA 0.232 4.551 4.320 -0.001 0.000 0.281 815 K C -0.842 175.322 176.600 -0.727 0.000 1.027 815 K CA -0.327 55.530 56.287 -0.716 0.000 0.989 815 K CB 0.491 32.701 32.500 -0.483 0.000 0.935 815 K HN 0.508 nan 8.250 nan 0.000 0.475 816 R N 3.365 123.252 120.500 -1.021 0.000 2.664 816 R HA 0.341 4.680 4.340 -0.001 0.000 0.286 816 R C -0.444 175.371 176.300 -0.810 0.000 0.967 816 R CA -0.768 54.666 56.100 -1.109 0.000 0.933 816 R CB 1.498 30.616 30.300 -1.970 0.000 1.146 816 R HN 0.654 nan 8.270 nan 0.000 0.468 817 R N 1.614 121.849 120.500 -0.443 0.000 2.439 817 R HA 0.293 4.632 4.340 -0.001 0.000 0.310 817 R C -0.453 175.887 176.300 0.067 0.000 0.955 817 R CA -0.692 55.320 56.100 -0.147 0.000 0.853 817 R CB 1.484 31.738 30.300 -0.076 0.000 1.171 817 R HN 0.552 nan 8.270 nan 0.000 0.449 818 R N 4.359 125.001 120.500 0.237 0.000 2.570 818 R HA 0.103 4.443 4.340 -0.001 0.000 0.277 818 R C -0.902 175.482 176.300 0.139 0.000 1.039 818 R CA 0.335 56.602 56.100 0.279 0.000 1.065 818 R CB 0.409 30.854 30.300 0.242 0.000 0.964 818 R HN 0.524 nan 8.270 nan 0.000 0.428 819 L N 4.663 125.948 121.223 0.103 0.000 2.372 819 L HA 0.231 4.571 4.340 -0.001 0.000 0.273 819 L C 0.002 176.867 176.870 -0.007 0.000 0.989 819 L CA -0.712 54.147 54.840 0.032 0.000 0.841 819 L CB 2.013 44.065 42.059 -0.012 0.000 1.225 819 L HN 0.674 nan 8.230 nan 0.000 0.414 820 D N 1.543 121.945 120.400 0.003 0.000 2.348 820 D HA -0.114 4.525 4.640 -0.001 0.000 0.216 820 D C 1.734 178.018 176.300 -0.026 0.000 0.970 820 D CA 0.801 54.797 54.000 -0.006 0.000 0.889 820 D CB 0.365 41.170 40.800 0.009 0.000 0.912 820 D HN 0.561 nan 8.370 nan 0.000 0.524 821 K N 0.206 120.582 120.400 -0.039 0.000 2.439 821 K HA 0.001 4.321 4.320 -0.001 0.000 0.197 821 K C 0.693 177.233 176.600 -0.099 0.000 1.041 821 K CA 0.389 56.649 56.287 -0.045 0.000 0.970 821 K CB 0.300 32.788 32.500 -0.019 0.000 0.773 821 K HN 0.103 nan 8.250 nan 0.000 0.479 822 L N 2.320 123.446 121.223 -0.162 0.000 2.334 822 L HA 0.454 4.794 4.340 -0.001 0.000 0.272 822 L C -2.216 174.547 176.870 -0.178 0.000 1.020 822 L CA -2.917 51.785 54.840 -0.230 0.000 0.812 822 L CB 1.334 43.158 42.059 -0.390 0.000 1.264 822 L HN -0.033 nan 8.230 nan 0.000 0.439 823 P HA 0.035 nan 4.420 nan 0.000 0.272 823 P C 0.867 178.042 177.300 -0.209 0.000 1.240 823 P CA -0.402 62.598 63.100 -0.167 0.000 0.791 823 P CB 1.179 32.803 31.700 -0.126 0.000 0.978 824 L N 0.797 121.926 121.223 -0.157 0.000 1.997 824 L HA -0.292 4.048 4.340 -0.001 0.000 0.216 824 L C 2.498 179.280 176.870 -0.148 0.000 1.074 824 L CA 2.023 56.792 54.840 -0.117 0.000 0.763 824 L CB -0.656 41.332 42.059 -0.118 0.000 0.890 824 L HN 0.440 nan 8.230 nan 0.000 0.434 825 Q N -0.310 119.298 119.800 -0.321 0.000 2.291 825 Q HA -0.172 4.168 4.340 -0.001 0.000 0.206 825 Q C 1.880 177.781 176.000 -0.165 0.000 0.976 825 Q CA 1.517 57.166 55.803 -0.257 0.000 0.875 825 Q CB -0.534 27.980 28.738 -0.373 0.000 0.927 825 Q HN 0.618 nan 8.270 nan 0.000 0.450 826 A N 1.525 124.037 122.820 -0.513 0.000 2.066 826 A HA -0.052 4.268 4.320 -0.001 0.000 0.218 826 A C 1.668 179.069 177.584 -0.306 0.000 1.157 826 A CA 0.827 52.413 52.037 -0.752 0.000 0.670 826 A CB -0.209 18.004 19.000 -1.312 0.000 0.804 826 A HN 0.357 nan 8.150 nan 0.000 0.453 827 N N -1.217 117.416 118.700 -0.111 0.000 2.398 827 N HA 0.045 4.784 4.740 -0.001 0.000 0.188 827 N C -0.801 174.802 175.510 0.155 0.000 1.122 827 N CA 0.206 53.306 53.050 0.084 0.000 0.866 827 N CB 0.037 38.621 38.487 0.162 0.000 0.970 827 N HN 0.464 nan 8.380 nan 0.000 0.462 828 Y N 0.326 120.584 120.300 -0.071 0.000 2.319 828 Y HA 0.179 4.728 4.550 -0.001 0.000 0.328 828 Y C -0.164 175.682 175.900 -0.090 0.000 1.133 828 Y CA -0.044 58.093 58.100 0.062 0.000 1.265 828 Y CB 0.355 38.924 38.460 0.182 0.000 1.218 828 Y HN -0.067 nan 8.280 nan 0.000 0.508 829 Y N 3.260 123.695 120.300 0.226 0.000 2.605 829 Y HA 0.450 4.999 4.550 -0.001 0.000 0.343 829 Y C -2.290 173.309 175.900 -0.501 0.000 1.036 829 Y CA -2.969 55.116 58.100 -0.024 0.000 1.065 829 Y CB 1.410 39.852 38.460 -0.030 0.000 1.288 829 Y HN 0.446 nan 8.280 nan 0.000 0.481 830 P HA 0.107 nan 4.420 nan 0.000 0.268 830 P C -0.616 176.443 177.300 -0.402 0.000 1.204 830 P CA 0.268 62.788 63.100 -0.967 0.000 0.768 830 P CB 0.505 31.538 31.700 -1.112 0.000 0.842 831 I N 5.036 125.450 120.570 -0.259 0.000 2.692 831 I HA 0.169 4.338 4.170 -0.001 0.000 0.285 831 I C -1.686 174.357 176.117 -0.123 0.000 1.191 831 I CA -2.459 58.759 61.300 -0.136 0.000 1.128 831 I CB 0.618 38.595 38.000 -0.039 0.000 1.585 831 I HN 0.206 nan 8.210 nan 0.000 0.558 832 P HA -0.060 nan 4.420 nan 0.000 0.221 832 P C 1.050 178.314 177.300 -0.059 0.000 1.150 832 P CA 1.203 64.228 63.100 -0.125 0.000 0.800 832 P CB 0.558 32.156 31.700 -0.169 0.000 0.787 833 S N -3.654 112.013 115.700 -0.054 0.000 2.483 833 S HA 0.464 4.934 4.470 -0.001 0.000 0.280 833 S C 0.562 175.240 174.600 0.131 0.000 1.059 833 S CA 0.313 58.536 58.200 0.039 0.000 1.359 833 S CB 0.299 63.544 63.200 0.075 0.000 1.171 833 S HN 0.336 nan 8.310 nan 0.000 0.625 834 G N 1.517 110.396 108.800 0.131 0.000 2.466 834 G HA2 0.557 4.516 3.960 -0.001 0.000 0.291 834 G HA3 0.557 4.516 3.960 -0.001 0.000 0.291 834 G C -1.527 173.605 174.900 0.386 0.000 1.460 834 G CA -0.417 44.882 45.100 0.332 0.000 0.791 834 G HN 0.901 nan 8.290 nan 0.000 0.505 835 M N -0.716 119.140 119.600 0.427 0.000 2.520 835 M HA 0.882 5.362 4.480 -0.001 0.000 0.280 835 M C -1.734 174.798 176.300 0.386 0.000 1.232 835 M CA -1.018 54.492 55.300 0.349 0.000 0.892 835 M CB 2.517 35.233 32.600 0.194 0.000 1.728 835 M HN 1.198 nan 8.290 nan 0.000 0.475 836 F N 0.932 121.026 119.950 0.240 0.000 2.668 836 F HA 0.902 5.429 4.527 -0.001 0.000 0.309 836 F C -1.734 174.198 175.800 0.220 0.000 1.117 836 F CA -1.198 56.884 58.000 0.137 0.000 0.951 836 F CB 1.134 40.128 39.000 -0.010 0.000 1.323 836 F HN 0.780 nan 8.300 nan 0.000 0.451 837 I N -0.060 120.743 120.570 0.388 0.000 2.740 837 I HA 0.887 5.057 4.170 -0.001 0.000 0.303 837 I C -1.354 174.947 176.117 0.308 0.000 1.044 837 I CA -0.863 60.629 61.300 0.321 0.000 1.064 837 I CB 2.371 40.475 38.000 0.174 0.000 1.249 837 I HN 0.951 nan 8.210 nan 0.000 0.433 838 E N 2.169 122.534 120.200 0.275 0.000 2.412 838 E HA 0.528 4.877 4.350 -0.001 0.000 0.279 838 E C -2.025 174.657 176.600 0.136 0.000 0.984 838 E CA -0.834 55.670 56.400 0.173 0.000 0.788 838 E CB 2.229 32.022 29.700 0.154 0.000 1.277 838 E HN 0.743 nan 8.360 nan 0.000 0.455 839 D N 0.797 121.247 120.400 0.084 0.000 2.726 839 D HA 0.454 5.093 4.640 -0.001 0.000 0.241 839 D C 0.960 177.287 176.300 0.046 0.000 1.150 839 D CA -0.157 53.883 54.000 0.068 0.000 1.089 839 D CB -0.048 40.785 40.800 0.054 0.000 1.260 839 D HN 0.448 nan 8.370 nan 0.000 0.637 840 A N -0.731 122.110 122.820 0.034 0.000 1.978 840 A HA -0.165 4.154 4.320 -0.001 0.000 0.220 840 A C 1.545 179.132 177.584 0.005 0.000 1.170 840 A CA 1.591 53.640 52.037 0.020 0.000 0.636 840 A CB -0.724 18.286 19.000 0.017 0.000 0.810 840 A HN 0.514 nan 8.150 nan 0.000 0.448 841 N N -1.801 116.902 118.700 0.005 0.000 2.397 841 N HA 0.077 4.817 4.740 -0.001 0.000 0.190 841 N C -0.430 175.070 175.510 -0.017 0.000 1.099 841 N CA 0.755 53.800 53.050 -0.008 0.000 0.876 841 N CB 0.645 39.130 38.487 -0.004 0.000 1.143 841 N HN 0.302 nan 8.380 nan 0.000 0.468 842 T N 0.539 115.088 114.554 -0.008 0.000 2.893 842 T HA 0.448 4.797 4.350 -0.001 0.000 0.293 842 T C -0.639 174.054 174.700 -0.012 0.000 1.027 842 T CA -0.655 61.435 62.100 -0.016 0.000 0.988 842 T CB 2.857 71.722 68.868 -0.004 0.000 1.043 842 T HN -0.044 nan 8.240 nan 0.000 0.461 843 R N 1.942 122.418 120.500 -0.040 0.000 2.686 843 R HA 0.740 5.079 4.340 -0.001 0.000 0.286 843 R C -1.948 174.329 176.300 -0.038 0.000 0.969 843 R CA -0.909 55.168 56.100 -0.039 0.000 0.898 843 R CB 1.302 31.515 30.300 -0.145 0.000 1.183 843 R HN 0.450 nan 8.270 nan 0.000 0.456 844 L N 2.632 123.862 121.223 0.012 0.000 2.349 844 L HA 0.494 4.833 4.340 -0.001 0.000 0.278 844 L C -1.328 175.581 176.870 0.065 0.000 0.996 844 L CA 0.079 54.920 54.840 0.002 0.000 0.825 844 L CB 2.232 44.279 42.059 -0.018 0.000 1.243 844 L HN 0.644 nan 8.230 nan 0.000 0.412 845 T N 5.646 120.218 114.554 0.031 0.000 2.807 845 T HA 0.561 4.910 4.350 -0.001 0.000 0.279 845 T C -1.011 173.752 174.700 0.104 0.000 0.993 845 T CA -0.285 61.873 62.100 0.097 0.000 0.970 845 T CB 1.421 70.277 68.868 -0.020 0.000 0.950 845 T HN 0.447 nan 8.240 nan 0.000 0.441 846 L N 5.117 126.437 121.223 0.161 0.000 2.298 846 L HA 0.527 4.866 4.340 -0.001 0.000 0.284 846 L C -1.247 175.764 176.870 0.235 0.000 1.013 846 L CA -0.711 54.234 54.840 0.174 0.000 0.824 846 L CB 0.510 42.652 42.059 0.138 0.000 1.221 846 L HN 0.416 nan 8.230 nan 0.000 0.418 847 L N 4.145 125.509 121.223 0.234 0.000 2.343 847 L HA 0.627 4.967 4.340 -0.001 0.000 0.275 847 L C 0.253 177.266 176.870 0.239 0.000 1.056 847 L CA -0.215 54.761 54.840 0.227 0.000 0.804 847 L CB 1.414 43.575 42.059 0.170 0.000 1.203 847 L HN 0.607 nan 8.230 nan 0.000 0.440 848 T N 0.391 115.038 114.554 0.155 0.000 2.887 848 T HA 0.488 4.838 4.350 -0.001 0.000 0.288 848 T C 0.847 175.506 174.700 -0.069 0.000 1.021 848 T CA -0.367 61.744 62.100 0.018 0.000 1.000 848 T CB 1.951 70.846 68.868 0.045 0.000 1.034 848 T HN 0.774 nan 8.240 nan 0.000 0.467 849 G N 1.379 110.066 108.800 -0.190 0.000 3.284 849 G HA2 0.339 4.299 3.960 -0.001 0.000 0.236 849 G HA3 0.339 4.299 3.960 -0.001 0.000 0.236 849 G C 0.144 174.975 174.900 -0.116 0.000 1.158 849 G CA -0.265 44.754 45.100 -0.135 0.000 0.774 849 G HN 0.614 nan 8.290 nan 0.000 0.545 850 Q N -0.202 119.526 119.800 -0.119 0.000 2.479 850 Q HA 0.304 4.643 4.340 -0.001 0.000 0.276 850 Q C -3.542 172.419 176.000 -0.067 0.000 0.989 850 Q CA -2.309 53.450 55.803 -0.074 0.000 0.864 850 Q CB 1.912 30.622 28.738 -0.047 0.000 1.444 850 Q HN -0.012 nan 8.270 nan 0.000 0.388 851 P HA 0.457 nan 4.420 nan 0.000 0.281 851 P C -0.684 176.601 177.300 -0.026 0.000 1.252 851 P CA -0.146 62.934 63.100 -0.033 0.000 0.778 851 P CB 0.988 32.675 31.700 -0.021 0.000 0.895 852 L N 1.666 122.869 121.223 -0.034 0.000 2.403 852 L HA 0.683 5.023 4.340 -0.001 0.000 0.253 852 L C 0.739 177.623 176.870 0.023 0.000 1.045 852 L CA -1.147 53.696 54.840 0.004 0.000 0.845 852 L CB 2.090 44.137 42.059 -0.020 0.000 1.447 852 L HN 0.337 nan 8.230 nan 0.000 0.411 853 G N -0.975 107.895 108.800 0.117 0.000 2.400 853 G HA2 0.682 4.642 3.960 -0.001 0.000 0.301 853 G HA3 0.682 4.642 3.960 -0.001 0.000 0.301 853 G C -0.515 174.409 174.900 0.041 0.000 1.154 853 G CA 0.083 45.306 45.100 0.205 0.000 0.852 853 G HN 0.871 nan 8.290 nan 0.000 0.511 854 G N -1.394 107.244 108.800 -0.270 0.000 2.550 854 G HA2 0.680 4.639 3.960 -0.001 0.000 0.293 854 G HA3 0.680 4.639 3.960 -0.001 0.000 0.293 854 G C -1.191 173.255 174.900 -0.757 0.000 1.402 854 G CA 0.425 45.158 45.100 -0.611 0.000 0.784 854 G HN 1.281 nan 8.290 nan 0.000 0.482 855 S N -1.907 113.412 115.700 -0.635 0.000 2.661 855 S HA 0.722 5.191 4.470 -0.001 0.000 0.268 855 S C -1.555 172.598 174.600 -0.744 0.000 1.162 855 S CA 0.315 58.146 58.200 -0.616 0.000 0.817 855 S CB 1.318 64.224 63.200 -0.491 0.000 1.141 855 S HN 1.527 nan 8.310 nan 0.000 0.477 856 S N 1.621 116.595 115.700 -1.210 0.000 2.718 856 S HA 0.494 4.964 4.470 -0.001 0.000 0.294 856 S C 0.167 174.519 174.600 -0.414 0.000 1.157 856 S CA -0.637 57.117 58.200 -0.744 0.000 1.121 856 S CB 0.012 62.728 63.200 -0.806 0.000 1.015 856 S HN 0.577 nan 8.310 nan 0.000 0.479 857 L N 3.225 124.342 121.223 -0.177 0.000 2.558 857 L HA 0.492 4.832 4.340 -0.001 0.000 0.225 857 L C 0.839 177.699 176.870 -0.016 0.000 1.128 857 L CA 0.249 55.063 54.840 -0.043 0.000 0.868 857 L CB 0.024 42.115 42.059 0.053 0.000 1.006 857 L HN 0.701 nan 8.230 nan 0.000 0.454 858 A N -1.262 121.536 122.820 -0.037 0.000 2.604 858 A HA 0.447 4.767 4.320 -0.001 0.000 0.295 858 A C -0.470 177.109 177.584 -0.009 0.000 1.067 858 A CA -0.447 51.586 52.037 -0.007 0.000 0.683 858 A CB 1.177 20.179 19.000 0.004 0.000 1.281 858 A HN -0.146 nan 8.150 nan 0.000 0.407 859 S N -0.097 115.612 115.700 0.014 0.000 2.558 859 S HA 0.397 4.867 4.470 -0.001 0.000 0.293 859 S C 1.539 176.153 174.600 0.023 0.000 1.292 859 S CA 1.920 60.136 58.200 0.026 0.000 1.063 859 S CB -0.045 63.175 63.200 0.033 0.000 0.831 859 S HN 2.659 nan 8.310 nan 0.000 0.499 860 G N 3.383 112.200 108.800 0.028 0.000 2.179 860 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.260 860 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.260 860 G C -0.151 174.742 174.900 -0.011 0.000 0.977 860 G CA 0.506 45.621 45.100 0.025 0.000 0.641 860 G HN 0.717 nan 8.290 nan 0.000 0.533 861 E N -0.519 119.660 120.200 -0.035 0.000 2.212 861 E HA 0.769 5.118 4.350 -0.001 0.000 0.270 861 E C -0.172 176.363 176.600 -0.108 0.000 0.956 861 E CA -0.733 55.624 56.400 -0.071 0.000 0.825 861 E CB 1.743 31.402 29.700 -0.069 0.000 1.167 861 E HN 0.242 nan 8.360 nan 0.000 0.400 862 L N 1.774 122.927 121.223 -0.116 0.000 2.401 862 L HA 0.475 4.814 4.340 -0.001 0.000 0.266 862 L C -0.602 176.194 176.870 -0.123 0.000 0.991 862 L CA -0.634 54.127 54.840 -0.131 0.000 0.818 862 L CB 2.005 44.016 42.059 -0.080 0.000 1.321 862 L HN 0.661 nan 8.230 nan 0.000 0.413 863 E N 2.949 123.067 120.200 -0.136 0.000 2.390 863 E HA 0.708 5.058 4.350 -0.001 0.000 0.277 863 E C -1.561 174.986 176.600 -0.088 0.000 0.939 863 E CA -0.847 55.503 56.400 -0.083 0.000 0.769 863 E CB 3.382 33.079 29.700 -0.005 0.000 1.251 863 E HN 0.532 nan 8.360 nan 0.000 0.450 864 I N 2.224 122.781 120.570 -0.022 0.000 2.610 864 I HA 0.302 4.471 4.170 -0.001 0.000 0.289 864 I C -1.382 174.794 176.117 0.098 0.000 1.163 864 I CA -1.065 60.245 61.300 0.016 0.000 1.044 864 I CB 1.910 39.922 38.000 0.021 0.000 1.251 864 I HN 0.775 nan 8.210 nan 0.000 0.424 865 M N 6.341 126.036 119.600 0.159 0.000 2.228 865 M HA 0.207 4.686 4.480 -0.001 0.000 0.351 865 M C 0.604 176.996 176.300 0.154 0.000 1.233 865 M CA 0.676 56.077 55.300 0.168 0.000 1.129 865 M CB 0.877 33.550 32.600 0.122 0.000 1.604 865 M HN 0.578 nan 8.290 nan 0.000 0.457 866 Q N 1.425 121.349 119.800 0.206 0.000 2.287 866 Q HA 0.259 4.598 4.340 -0.001 0.000 0.201 866 Q C -0.242 175.956 176.000 0.330 0.000 0.946 866 Q CA 0.821 56.810 55.803 0.310 0.000 0.868 866 Q CB 0.376 29.328 28.738 0.356 0.000 0.967 866 Q HN 0.768 nan 8.270 nan 0.000 0.516 867 D N -0.907 119.622 120.400 0.215 0.000 2.671 867 D HA 0.301 4.941 4.640 -0.001 0.000 0.273 867 D C -1.438 174.931 176.300 0.115 0.000 1.264 867 D CA -0.494 53.611 54.000 0.175 0.000 0.788 867 D CB 1.459 42.355 40.800 0.159 0.000 1.324 867 D HN 0.042 nan 8.370 nan 0.000 0.424 868 R N 0.779 121.336 120.500 0.095 0.000 2.584 868 R HA 0.669 5.009 4.340 -0.001 0.000 0.276 868 R C -1.086 175.257 176.300 0.072 0.000 1.046 868 R CA -1.049 55.091 56.100 0.067 0.000 0.906 868 R CB 2.057 32.370 30.300 0.021 0.000 1.215 868 R HN 0.322 nan 8.270 nan 0.000 0.449 869 R N 3.791 124.331 120.500 0.067 0.000 2.451 869 R HA 0.471 4.811 4.340 -0.001 0.000 0.307 869 R C -1.501 174.833 176.300 0.057 0.000 0.965 869 R CA -0.564 55.572 56.100 0.061 0.000 0.865 869 R CB 1.255 31.588 30.300 0.054 0.000 1.174 869 R HN 0.711 nan 8.270 nan 0.000 0.455 870 L N 3.807 125.062 121.223 0.053 0.000 2.381 870 L HA 0.535 4.875 4.340 -0.001 0.000 0.274 870 L C 0.695 177.591 176.870 0.043 0.000 0.988 870 L CA -0.528 54.342 54.840 0.050 0.000 0.824 870 L CB 2.181 44.270 42.059 0.049 0.000 1.263 870 L HN 0.799 nan 8.230 nan 0.000 0.410 871 A N 1.479 124.323 122.820 0.039 0.000 2.072 871 A HA 0.174 4.494 4.320 -0.001 0.000 0.216 871 A C 0.929 178.531 177.584 0.031 0.000 1.156 871 A CA 0.584 52.641 52.037 0.034 0.000 0.701 871 A CB 0.042 19.060 19.000 0.030 0.000 0.816 871 A HN 0.603 nan 8.150 nan 0.000 0.458 872 S N 0.027 115.746 115.700 0.031 0.000 2.608 872 S HA 0.405 4.874 4.470 -0.001 0.000 0.291 872 S C -0.641 173.979 174.600 0.034 0.000 1.146 872 S CA -0.643 57.574 58.200 0.028 0.000 1.043 872 S CB 1.453 64.666 63.200 0.021 0.000 1.037 872 S HN 0.486 nan 8.310 nan 0.000 0.520 873 D N 0.547 120.967 120.400 0.034 0.000 2.341 873 D HA 0.188 4.828 4.640 -0.001 0.000 0.245 873 D C -0.090 176.231 176.300 0.034 0.000 1.106 873 D CA -0.329 53.700 54.000 0.047 0.000 0.905 873 D CB 0.659 41.486 40.800 0.045 0.000 1.202 873 D HN 0.500 nan 8.370 nan 0.000 0.426 874 D N 2.175 122.603 120.400 0.046 0.000 2.559 874 D HA 0.071 4.711 4.640 -0.001 0.000 0.234 874 D C -0.376 175.890 176.300 -0.056 0.000 1.226 874 D CA -0.297 53.699 54.000 -0.006 0.000 0.830 874 D CB -0.408 40.384 40.800 -0.015 0.000 1.028 874 D HN 0.690 nan 8.370 nan 0.000 0.492 875 E N -0.322 119.867 120.200 -0.018 0.000 2.868 875 E HA -0.197 4.153 4.350 -0.001 0.000 0.278 875 E C 0.157 176.713 176.600 -0.073 0.000 1.009 875 E CA 0.206 56.587 56.400 -0.032 0.000 0.856 875 E CB -0.796 28.879 29.700 -0.042 0.000 1.428 875 E HN 0.211 nan 8.360 nan 0.000 0.423 876 R N -0.536 119.893 120.500 -0.118 0.000 2.577 876 R HA 0.243 4.583 4.340 -0.001 0.000 0.344 876 R C 1.306 177.665 176.300 0.098 0.000 1.037 876 R CA 0.623 56.577 56.100 -0.243 0.000 1.102 876 R CB 1.008 30.710 30.300 -0.997 0.000 1.313 876 R HN 0.391 nan 8.270 nan 0.000 0.561 877 G N 0.811 109.754 108.800 0.238 0.000 2.213 877 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.226 877 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.226 877 G C 0.753 175.783 174.900 0.217 0.000 0.992 877 G CA 0.241 45.571 45.100 0.383 0.000 0.632 877 G HN 0.296 nan 8.290 nan 0.000 0.511 878 L N 1.483 122.918 121.223 0.354 0.000 2.093 878 L HA 0.442 4.781 4.340 -0.001 0.000 0.208 878 L C 2.216 179.082 176.870 -0.008 0.000 1.085 878 L CA 2.747 57.684 54.840 0.162 0.000 0.755 878 L CB -0.655 41.645 42.059 0.402 0.000 0.904 878 L HN 1.712 nan 8.230 nan 0.000 0.435 879 G N -0.351 108.476 108.800 0.046 0.000 2.198 879 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.260 879 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.260 879 G C 0.063 174.973 174.900 0.017 0.000 1.025 879 G CA 0.675 45.783 45.100 0.013 0.000 0.769 879 G HN 0.795 nan 8.290 nan 0.000 0.507 880 Q N -2.038 117.787 119.800 0.041 0.000 2.633 880 Q HA 0.681 5.021 4.340 -0.001 0.000 0.289 880 Q C 0.415 176.446 176.000 0.052 0.000 0.940 880 Q CA -0.639 55.188 55.803 0.039 0.000 0.785 880 Q CB 0.480 29.238 28.738 0.034 0.000 1.467 880 Q HN 0.933 nan 8.270 nan 0.000 0.401 881 G N 0.049 108.875 108.800 0.044 0.000 2.494 881 G HA2 0.484 4.443 3.960 -0.001 0.000 0.270 881 G HA3 0.484 4.443 3.960 -0.001 0.000 0.270 881 G C -0.895 174.035 174.900 0.050 0.000 1.423 881 G CA -0.630 44.497 45.100 0.046 0.000 1.055 881 G HN 0.397 nan 8.290 nan 0.000 0.536 882 V N 0.820 120.764 119.914 0.050 0.000 2.284 882 V HA 0.343 4.462 4.120 -0.001 0.000 0.274 882 V C 0.143 176.272 176.094 0.059 0.000 1.023 882 V CA -0.145 62.191 62.300 0.060 0.000 0.808 882 V CB 0.882 32.743 31.823 0.063 0.000 1.035 882 V HN 0.547 nan 8.190 nan 0.000 0.445 883 L N 3.330 124.588 121.223 0.057 0.000 3.333 883 L HA 0.317 4.656 4.340 -0.001 0.000 0.299 883 L C 0.580 177.480 176.870 0.050 0.000 1.256 883 L CA 0.038 54.907 54.840 0.049 0.000 1.037 883 L CB 0.738 42.821 42.059 0.040 0.000 1.423 883 L HN 0.675 nan 8.230 nan 0.000 0.605 884 D N -2.100 118.338 120.400 0.063 0.000 2.559 884 D HA 0.060 4.700 4.640 -0.001 0.000 0.234 884 D C 0.129 176.471 176.300 0.071 0.000 1.226 884 D CA -0.454 53.584 54.000 0.064 0.000 0.830 884 D CB -0.398 40.448 40.800 0.077 0.000 1.028 884 D HN 0.070 nan 8.370 nan 0.000 0.492 885 N N 1.672 120.411 118.700 0.066 0.000 2.395 885 N HA 0.107 4.847 4.740 -0.001 0.000 0.246 885 N C 0.188 175.710 175.510 0.020 0.000 1.246 885 N CA 0.347 53.435 53.050 0.064 0.000 0.879 885 N CB 0.664 39.186 38.487 0.058 0.000 1.098 885 N HN 0.320 nan 8.380 nan 0.000 0.444 886 K N -0.375 120.024 120.400 -0.002 0.000 2.512 886 K HA 0.561 4.880 4.320 -0.001 0.000 0.263 886 K C -3.239 173.335 176.600 -0.042 0.000 0.966 886 K CA -2.021 54.222 56.287 -0.073 0.000 0.851 886 K CB 1.281 33.654 32.500 -0.210 0.000 1.395 886 K HN 0.127 nan 8.250 nan 0.000 0.440 887 P HA -0.017 nan 4.420 nan 0.000 0.265 887 P C -1.042 176.278 177.300 0.034 0.000 1.193 887 P CA -0.441 62.640 63.100 -0.031 0.000 0.765 887 P CB 0.753 32.423 31.700 -0.050 0.000 0.823 888 V N 5.076 124.977 119.914 -0.021 0.000 2.841 888 V HA 0.474 4.593 4.120 -0.001 0.000 0.310 888 V C -1.334 174.637 176.094 -0.206 0.000 1.090 888 V CA -1.101 61.167 62.300 -0.054 0.000 0.930 888 V CB 2.103 33.873 31.823 -0.089 0.000 1.014 888 V HN 0.287 nan 8.190 nan 0.000 0.425 889 L N 7.022 128.151 121.223 -0.155 0.000 2.270 889 L HA 0.591 4.930 4.340 -0.001 0.000 0.286 889 L C -0.352 176.493 176.870 -0.042 0.000 1.059 889 L CA 0.138 54.916 54.840 -0.103 0.000 0.839 889 L CB 0.311 42.334 42.059 -0.060 0.000 1.221 889 L HN 0.701 nan 8.230 nan 0.000 0.431 890 H N 5.715 124.798 119.070 0.022 0.000 2.582 890 H HA 0.470 5.026 4.556 -0.001 0.000 0.345 890 H C -0.076 175.151 175.328 -0.170 0.000 1.104 890 H CA -0.186 55.818 56.048 -0.073 0.000 1.390 890 H CB 1.224 31.009 29.762 0.038 0.000 1.461 890 H HN 0.695 nan 8.280 nan 0.000 0.551 891 I N 0.235 120.635 120.570 -0.284 0.000 2.689 891 I HA 0.616 4.786 4.170 -0.001 0.000 0.299 891 I C -1.424 174.341 176.117 -0.586 0.000 1.059 891 I CA -0.943 60.201 61.300 -0.260 0.000 1.055 891 I CB 2.138 40.079 38.000 -0.097 0.000 1.243 891 I HN 0.250 nan 8.210 nan 0.000 0.425 892 Y N 2.467 122.808 120.300 0.068 0.000 2.638 892 Y HA 0.682 5.231 4.550 -0.001 0.000 0.335 892 Y C -0.641 175.305 175.900 0.076 0.000 1.155 892 Y CA -1.089 57.058 58.100 0.079 0.000 1.046 892 Y CB 1.586 40.111 38.460 0.110 0.000 1.303 892 Y HN 0.422 nan 8.280 nan 0.000 0.460 893 R N 1.400 122.054 120.500 0.256 0.000 2.686 893 R HA 0.618 4.958 4.340 -0.001 0.000 0.286 893 R C -1.906 174.503 176.300 0.180 0.000 0.969 893 R CA -1.154 55.052 56.100 0.178 0.000 0.898 893 R CB 2.598 32.962 30.300 0.108 0.000 1.183 893 R HN 0.651 nan 8.270 nan 0.000 0.456 894 L N 2.393 123.703 121.223 0.146 0.000 2.342 894 L HA 0.420 4.760 4.340 -0.001 0.000 0.276 894 L C -1.246 175.653 176.870 0.049 0.000 0.997 894 L CA -0.552 54.352 54.840 0.106 0.000 0.838 894 L CB 1.789 43.925 42.059 0.128 0.000 1.224 894 L HN 0.306 nan 8.230 nan 0.000 0.416 895 V N 6.194 126.122 119.914 0.022 0.000 2.326 895 V HA 0.402 4.522 4.120 -0.001 0.000 0.281 895 V C -0.328 175.743 176.094 -0.039 0.000 1.015 895 V CA -0.568 61.725 62.300 -0.011 0.000 0.823 895 V CB 1.359 33.169 31.823 -0.022 0.000 1.009 895 V HN 0.629 nan 8.190 nan 0.000 0.436 896 L N 5.461 126.657 121.223 -0.045 0.000 2.275 896 L HA 0.685 5.025 4.340 -0.001 0.000 0.288 896 L C -0.142 176.691 176.870 -0.062 0.000 1.046 896 L CA 0.625 55.430 54.840 -0.058 0.000 0.805 896 L CB 1.088 43.111 42.059 -0.061 0.000 1.193 896 L HN 0.730 nan 8.230 nan 0.000 0.426 897 E N 3.624 123.780 120.200 -0.073 0.000 2.383 897 E HA 0.428 4.777 4.350 -0.001 0.000 0.275 897 E C -1.255 175.301 176.600 -0.073 0.000 0.918 897 E CA -1.199 55.154 56.400 -0.079 0.000 0.764 897 E CB 1.554 31.191 29.700 -0.106 0.000 1.252 897 E HN 0.250 nan 8.360 nan 0.000 0.449 898 K N 1.438 121.799 120.400 -0.066 0.000 2.276 898 K HA 0.181 4.500 4.320 -0.001 0.000 0.283 898 K C 0.449 177.006 176.600 -0.071 0.000 1.044 898 K CA -0.152 56.099 56.287 -0.059 0.000 0.944 898 K CB 1.194 33.665 32.500 -0.049 0.000 1.012 898 K HN 0.481 nan 8.250 nan 0.000 0.472 899 V N -0.452 119.422 119.914 -0.067 0.000 3.346 899 V HA 0.012 4.132 4.120 -0.001 0.000 0.309 899 V C 1.236 177.296 176.094 -0.058 0.000 1.457 899 V CA -0.221 62.031 62.300 -0.079 0.000 1.069 899 V CB -0.293 31.467 31.823 -0.104 0.000 0.944 899 V HN 0.619 nan 8.190 nan 0.000 0.449 900 N N 1.706 120.380 118.700 -0.043 0.000 2.272 900 N HA -0.209 4.530 4.740 -0.001 0.000 0.185 900 N C 1.049 176.539 175.510 -0.034 0.000 1.014 900 N CA 1.847 54.878 53.050 -0.031 0.000 0.870 900 N CB -0.560 37.912 38.487 -0.024 0.000 0.975 900 N HN 0.552 nan 8.380 nan 0.000 0.433 901 N N 0.021 118.696 118.700 -0.042 0.000 2.336 901 N HA 0.066 4.806 4.740 -0.001 0.000 0.189 901 N C -0.235 175.244 175.510 -0.052 0.000 1.113 901 N CA -0.081 52.943 53.050 -0.043 0.000 0.858 901 N CB 0.062 38.523 38.487 -0.044 0.000 0.970 901 N HN 0.219 nan 8.380 nan 0.000 0.471 902 c N 1.393 119.956 118.600 -0.062 0.000 2.593 902 c HA 0.247 4.816 4.570 -0.001 0.000 0.409 902 c C 1.053 175.105 174.090 -0.064 0.000 1.304 902 c CA -0.935 55.349 56.329 -0.075 0.000 2.007 902 c CB 0.690 43.142 42.510 -0.097 0.000 2.614 902 c HN 0.016 nan 8.230 nan 0.000 0.585 903 V N 5.810 125.682 119.914 -0.069 0.000 2.370 903 V HA 0.199 4.318 4.120 -0.001 0.000 0.257 903 V C 0.650 176.706 176.094 -0.065 0.000 1.064 903 V CA 0.403 62.666 62.300 -0.061 0.000 0.975 903 V CB -0.698 31.084 31.823 -0.067 0.000 1.067 903 V HN 0.793 nan 8.190 nan 0.000 0.485 904 R N 4.571 125.045 120.500 -0.043 0.000 2.758 904 R HA 0.551 4.890 4.340 -0.001 0.000 0.265 904 R C -2.432 173.859 176.300 -0.014 0.000 1.016 904 R CA -1.859 54.224 56.100 -0.029 0.000 1.040 904 R CB 1.057 31.344 30.300 -0.023 0.000 1.152 904 R HN 0.398 nan 8.270 nan 0.000 0.503 905 P HA -0.037 nan 4.420 nan 0.000 0.270 905 P C -0.390 176.946 177.300 0.060 0.000 1.223 905 P CA -0.205 62.880 63.100 -0.026 0.000 0.785 905 P CB 0.575 32.184 31.700 -0.151 0.000 0.923 906 S N 0.956 116.717 115.700 0.102 0.000 2.596 906 S HA 0.042 4.511 4.470 -0.001 0.000 0.260 906 S C 1.325 176.002 174.600 0.130 0.000 1.336 906 S CA -0.279 57.985 58.200 0.106 0.000 0.993 906 S CB 0.364 63.627 63.200 0.107 0.000 0.923 906 S HN 0.505 nan 8.310 nan 0.000 0.567 907 K N 0.109 120.567 120.400 0.098 0.000 2.211 907 K HA -0.046 4.273 4.320 -0.001 0.000 0.204 907 K C 1.484 178.139 176.600 0.091 0.000 1.047 907 K CA 1.368 57.709 56.287 0.091 0.000 0.935 907 K CB -0.462 32.075 32.500 0.063 0.000 0.728 907 K HN 0.758 nan 8.250 nan 0.000 0.452 908 L N 0.055 121.335 121.223 0.095 0.000 2.567 908 L HA 0.055 4.395 4.340 -0.001 0.000 0.225 908 L C 1.081 178.003 176.870 0.087 0.000 1.119 908 L CA -0.311 54.570 54.840 0.068 0.000 0.871 908 L CB -0.157 41.927 42.059 0.042 0.000 1.036 908 L HN 0.196 nan 8.230 nan 0.000 0.459 909 H N 2.618 121.725 119.070 0.061 0.000 2.803 909 H HA 0.089 4.645 4.556 -0.001 0.000 0.330 909 H C -1.718 173.651 175.328 0.068 0.000 1.057 909 H CA -1.434 54.663 56.048 0.082 0.000 1.458 909 H CB 1.794 31.631 29.762 0.125 0.000 1.470 909 H HN -0.083 nan 8.280 nan 0.000 0.560 910 P HA 0.119 nan 4.420 nan 0.000 0.245 910 P C -0.350 177.053 177.300 0.171 0.000 1.212 910 P CA 0.219 63.353 63.100 0.056 0.000 0.774 910 P CB 0.450 32.112 31.700 -0.063 0.000 0.999 911 A N -0.325 122.759 122.820 0.441 0.000 2.299 911 A HA 0.749 5.068 4.320 -0.001 0.000 0.332 911 A C 0.310 177.954 177.584 0.099 0.000 1.131 911 A CA -0.305 51.867 52.037 0.224 0.000 0.844 911 A CB 1.020 20.140 19.000 0.199 0.000 1.251 911 A HN 0.167 nan 8.150 nan 0.000 0.486 912 G N -1.363 107.369 108.800 -0.113 0.000 2.658 912 G HA2 0.636 4.595 3.960 -0.001 0.000 0.292 912 G HA3 0.636 4.595 3.960 -0.001 0.000 0.292 912 G C -1.838 172.686 174.900 -0.626 0.000 1.320 912 G CA -0.415 44.511 45.100 -0.291 0.000 0.933 912 G HN 0.528 nan 8.290 nan 0.000 0.476 913 Y N -0.833 119.421 120.300 -0.078 0.000 2.492 913 Y HA 0.484 5.034 4.550 -0.001 0.000 0.346 913 Y C 0.368 176.024 175.900 -0.406 0.000 0.997 913 Y CA -0.861 57.129 58.100 -0.183 0.000 1.025 913 Y CB 1.998 40.346 38.460 -0.186 0.000 1.263 913 Y HN 0.346 nan 8.280 nan 0.000 0.454 914 L N 2.228 123.286 121.223 -0.274 0.000 2.464 914 L HA 0.337 4.676 4.340 -0.001 0.000 0.264 914 L C 0.764 177.483 176.870 -0.253 0.000 1.199 914 L CA -0.485 54.121 54.840 -0.389 0.000 0.818 914 L CB 0.721 42.627 42.059 -0.255 0.000 1.102 914 L HN 0.798 nan 8.230 nan 0.000 0.473 915 T N -2.052 112.343 114.554 -0.265 0.000 2.816 915 T HA 0.129 4.478 4.350 -0.001 0.000 0.282 915 T C 1.181 175.828 174.700 -0.088 0.000 0.993 915 T CA -0.596 61.400 62.100 -0.173 0.000 0.994 915 T CB 1.299 70.061 68.868 -0.176 0.000 1.025 915 T HN 0.562 nan 8.240 nan 0.000 0.529 916 S N 0.964 116.625 115.700 -0.065 0.000 2.365 916 S HA -0.151 4.319 4.470 -0.001 0.000 0.225 916 S C 2.489 177.097 174.600 0.013 0.000 1.039 916 S CA 1.350 59.544 58.200 -0.010 0.000 1.033 916 S CB -1.090 62.090 63.200 -0.034 0.000 0.887 916 S HN 0.905 nan 8.310 nan 0.000 0.447 917 A N 1.374 124.179 122.820 -0.025 0.000 1.902 917 A HA 0.120 4.439 4.320 -0.001 0.000 0.217 917 A C 2.351 179.929 177.584 -0.010 0.000 1.181 917 A CA 1.743 53.768 52.037 -0.020 0.000 0.623 917 A CB -1.032 17.947 19.000 -0.036 0.000 0.818 917 A HN 0.533 nan 8.150 nan 0.000 0.443 918 A N -1.396 121.406 122.820 -0.030 0.000 1.898 918 A HA -0.169 4.151 4.320 -0.001 0.000 0.216 918 A C 2.116 179.731 177.584 0.052 0.000 1.181 918 A CA 1.593 53.618 52.037 -0.021 0.000 0.620 918 A CB -0.946 17.987 19.000 -0.111 0.000 0.819 918 A HN 0.773 nan 8.150 nan 0.000 0.442 919 H N 0.045 119.101 119.070 -0.023 0.000 2.321 919 H HA -0.085 4.471 4.556 -0.001 0.000 0.300 919 H C 1.882 177.244 175.328 0.056 0.000 1.087 919 H CA 1.918 57.988 56.048 0.037 0.000 1.319 919 H CB -0.043 29.735 29.762 0.027 0.000 1.379 919 H HN 0.434 nan 8.280 nan 0.000 0.501 920 K N 0.147 120.515 120.400 -0.054 0.000 2.097 920 K HA -0.087 4.233 4.320 -0.001 0.000 0.206 920 K C 2.385 178.950 176.600 -0.058 0.000 1.049 920 K CA 0.873 57.107 56.287 -0.088 0.000 0.933 920 K CB -0.048 32.444 32.500 -0.014 0.000 0.717 920 K HN 0.278 nan 8.250 nan 0.000 0.442 921 A N 0.796 123.604 122.820 -0.019 0.000 1.902 921 A HA -0.182 4.137 4.320 -0.001 0.000 0.217 921 A C 2.200 179.786 177.584 0.003 0.000 1.181 921 A CA 2.003 54.042 52.037 0.004 0.000 0.623 921 A CB -0.651 18.366 19.000 0.027 0.000 0.818 921 A HN 0.281 nan 8.150 nan 0.000 0.443 922 S N -0.639 115.068 115.700 0.011 0.000 2.368 922 S HA -0.242 4.228 4.470 -0.001 0.000 0.225 922 S C 2.141 176.725 174.600 -0.027 0.000 1.030 922 S CA 1.752 59.972 58.200 0.034 0.000 0.999 922 S CB -0.413 62.855 63.200 0.113 0.000 0.844 922 S HN 0.675 nan 8.310 nan 0.000 0.459 923 Q N 0.150 119.890 119.800 -0.101 0.000 2.170 923 Q HA -0.062 4.278 4.340 -0.001 0.000 0.203 923 Q C 2.367 178.314 176.000 -0.088 0.000 0.976 923 Q CA 1.441 57.183 55.803 -0.101 0.000 0.858 923 Q CB -0.337 28.320 28.738 -0.136 0.000 0.907 923 Q HN 0.557 nan 8.270 nan 0.000 0.433 924 S N 0.169 115.828 115.700 -0.068 0.000 2.423 924 S HA -0.040 4.430 4.470 -0.001 0.000 0.231 924 S C 1.749 176.292 174.600 -0.096 0.000 1.014 924 S CA 0.634 58.792 58.200 -0.070 0.000 0.965 924 S CB 0.050 63.228 63.200 -0.037 0.000 0.785 924 S HN 0.263 nan 8.310 nan 0.000 0.495 925 L N 0.172 121.346 121.223 -0.081 0.000 2.127 925 L HA 0.128 4.467 4.340 -0.001 0.000 0.203 925 L C 2.153 178.934 176.870 -0.149 0.000 1.080 925 L CA 0.775 55.558 54.840 -0.095 0.000 0.768 925 L CB -0.314 41.713 42.059 -0.054 0.000 0.924 925 L HN 0.284 nan 8.230 nan 0.000 0.444 926 L N -1.223 119.916 121.223 -0.139 0.000 2.249 926 L HA 0.031 4.370 4.340 -0.001 0.000 0.207 926 L C 0.191 176.890 176.870 -0.285 0.000 1.090 926 L CA 0.773 55.507 54.840 -0.176 0.000 0.802 926 L CB 0.107 42.100 42.059 -0.110 0.000 0.947 926 L HN 0.202 nan 8.230 nan 0.000 0.453 927 D N 0.343 120.571 120.400 -0.286 0.000 2.613 927 D HA 0.228 4.868 4.640 -0.001 0.000 0.312 927 D C -2.349 173.718 176.300 -0.388 0.000 1.202 927 D CA -0.966 52.799 54.000 -0.392 0.000 0.825 927 D CB 1.289 42.055 40.800 -0.057 0.000 1.113 927 D HN 0.060 nan 8.370 nan 0.000 0.502 928 P HA 0.112 nan 4.420 nan 0.000 0.274 928 P C 0.607 177.776 177.300 -0.218 0.000 1.260 928 P CA -0.489 62.434 63.100 -0.295 0.000 0.793 928 P CB 1.491 33.021 31.700 -0.283 0.000 1.048 929 L N 0.749 121.908 121.223 -0.106 0.000 2.514 929 L HA 0.064 4.404 4.340 -0.001 0.000 0.280 929 L C 0.902 177.785 176.870 0.022 0.000 1.223 929 L CA 0.470 55.301 54.840 -0.014 0.000 0.864 929 L CB -0.367 41.699 42.059 0.011 0.000 1.118 929 L HN 0.281 nan 8.230 nan 0.000 0.494 930 D N 3.259 123.760 120.400 0.168 0.000 2.210 930 D HA 0.320 4.959 4.640 -0.001 0.000 0.249 930 D C -0.312 176.057 176.300 0.115 0.000 1.062 930 D CA -0.270 53.824 54.000 0.156 0.000 0.891 930 D CB 1.641 42.627 40.800 0.309 0.000 1.186 930 D HN 0.375 nan 8.370 nan 0.000 0.432 931 K N 1.425 121.778 120.400 -0.079 0.000 2.345 931 K HA 0.471 4.790 4.320 -0.001 0.000 0.255 931 K C -1.012 175.550 176.600 -0.064 0.000 0.934 931 K CA -0.647 55.692 56.287 0.087 0.000 0.801 931 K CB 1.577 34.083 32.500 0.009 0.000 1.137 931 K HN 0.229 nan 8.250 nan 0.000 0.424 932 F N 2.602 122.761 119.950 0.349 0.000 2.540 932 F HA 0.494 5.020 4.527 -0.001 0.000 0.317 932 F C -0.024 176.060 175.800 0.473 0.000 1.104 932 F CA -0.875 57.315 58.000 0.316 0.000 0.913 932 F CB 1.306 40.331 39.000 0.043 0.000 1.170 932 F HN 0.200 nan 8.300 nan 0.000 0.450 933 I N 3.543 124.489 120.570 0.627 0.000 2.362 933 I HA 0.221 4.391 4.170 -0.001 0.000 0.289 933 I C -0.560 175.833 176.117 0.460 0.000 0.994 933 I CA -0.838 60.752 61.300 0.483 0.000 1.158 933 I CB 1.239 39.422 38.000 0.305 0.000 1.315 933 I HN 0.436 nan 8.210 nan 0.000 0.451 934 F N 5.782 125.892 119.950 0.266 0.000 2.578 934 F HA 0.193 4.720 4.527 -0.001 0.000 0.376 934 F C 1.195 176.916 175.800 -0.132 0.000 1.085 934 F CA 0.079 57.955 58.000 -0.206 0.000 1.260 934 F CB 1.175 40.077 39.000 -0.165 0.000 1.095 934 F HN 0.593 nan 8.300 nan 0.000 0.573 935 A N 4.361 126.579 122.820 -1.003 0.000 2.081 935 A HA 0.106 4.425 4.320 -0.001 0.000 0.214 935 A C 0.767 178.058 177.584 -0.488 0.000 1.158 935 A CA 0.408 52.087 52.037 -0.596 0.000 0.724 935 A CB -0.380 18.261 19.000 -0.597 0.000 0.826 935 A HN 0.796 nan 8.150 nan 0.000 0.463 936 E N -0.823 118.932 120.200 -0.742 0.000 2.284 936 E HA 0.237 4.587 4.350 -0.001 0.000 0.255 936 E C 0.111 176.807 176.600 0.161 0.000 1.052 936 E CA -0.844 55.442 56.400 -0.191 0.000 0.904 936 E CB 0.401 30.054 29.700 -0.078 0.000 1.217 936 E HN 0.129 nan 8.360 nan 0.000 0.438 937 N N 0.566 119.380 118.700 0.190 0.000 2.216 937 N HA -0.083 4.657 4.740 -0.001 0.000 0.183 937 N C -0.308 175.358 175.510 0.261 0.000 1.017 937 N CA 0.983 54.156 53.050 0.205 0.000 0.861 937 N CB 0.219 38.781 38.487 0.126 0.000 0.986 937 N HN 0.436 nan 8.380 nan 0.000 0.428 938 E N -0.700 119.678 120.200 0.297 0.000 2.275 938 E HA 0.112 4.461 4.350 -0.001 0.000 0.270 938 E C -1.544 175.155 176.600 0.165 0.000 0.882 938 E CA -0.714 55.786 56.400 0.167 0.000 0.758 938 E CB 1.153 30.912 29.700 0.098 0.000 1.195 938 E HN 0.010 nan 8.360 nan 0.000 0.419 939 W N 8.112 129.107 121.300 -0.508 0.000 2.295 939 W HA 0.395 5.054 4.660 -0.001 0.000 0.333 939 W C -1.256 175.074 176.519 -0.316 0.000 0.990 939 W CA -1.473 55.419 57.345 -0.753 0.000 1.453 939 W CB -0.089 28.424 29.460 -1.578 0.000 1.263 939 W HN 0.460 nan 8.180 nan 0.000 0.380 940 I N 6.481 127.167 120.570 0.194 0.000 2.471 940 I HA 0.222 4.392 4.170 -0.001 0.000 0.286 940 I C 1.473 177.615 176.117 0.040 0.000 1.079 940 I CA 1.011 62.355 61.300 0.073 0.000 1.398 940 I CB 0.334 38.398 38.000 0.107 0.000 1.403 940 I HN 0.795 nan 8.210 nan 0.000 0.530 941 G N 4.348 113.074 108.800 -0.123 0.000 2.141 941 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.242 941 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.242 941 G C 0.393 175.073 174.900 -0.367 0.000 0.982 941 G CA -0.109 44.899 45.100 -0.153 0.000 0.662 941 G HN 0.987 nan 8.290 nan 0.000 0.527 942 A N -0.368 121.975 122.820 -0.795 0.000 2.531 942 A HA 0.570 4.890 4.320 -0.001 0.000 0.236 942 A C 0.576 177.747 177.584 -0.689 0.000 1.062 942 A CA 0.804 52.005 52.037 -1.394 0.000 0.760 942 A CB 0.256 18.102 19.000 -1.924 0.000 0.995 942 A HN 0.630 nan 8.150 nan 0.000 0.501 943 Q N 0.701 120.172 119.800 -0.548 0.000 2.351 943 Q HA 0.529 4.868 4.340 -0.001 0.000 0.273 943 Q C 1.065 176.959 176.000 -0.177 0.000 1.077 943 Q CA -0.245 55.404 55.803 -0.258 0.000 0.843 943 Q CB 1.961 30.616 28.738 -0.138 0.000 1.367 943 Q HN 0.792 nan 8.270 nan 0.000 0.449 944 G N 0.030 108.762 108.800 -0.113 0.000 2.603 944 G HA2 -0.040 3.920 3.960 -0.001 0.000 0.214 944 G HA3 -0.040 3.920 3.960 -0.001 0.000 0.214 944 G C 0.184 175.061 174.900 -0.038 0.000 1.140 944 G CA 0.549 45.596 45.100 -0.088 0.000 0.800 944 G HN 0.428 nan 8.290 nan 0.000 0.533 945 Q N -1.370 118.424 119.800 -0.010 0.000 2.479 945 Q HA 0.512 4.852 4.340 -0.001 0.000 0.276 945 Q C -2.371 173.654 176.000 0.042 0.000 0.989 945 Q CA -0.907 54.904 55.803 0.013 0.000 0.864 945 Q CB 2.230 30.959 28.738 -0.015 0.000 1.444 945 Q HN 0.057 nan 8.270 nan 0.000 0.388 946 F N 1.257 121.119 119.950 -0.147 0.000 2.556 946 F HA 0.649 5.176 4.527 -0.001 0.000 0.314 946 F C 0.537 176.095 175.800 -0.404 0.000 1.106 946 F CA 0.464 58.312 58.000 -0.254 0.000 0.911 946 F CB 2.067 40.925 39.000 -0.237 0.000 1.190 946 F HN 0.674 nan 8.300 nan 0.000 0.448 947 G N 3.077 110.912 108.800 -1.607 0.000 2.141 947 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G C 1.026 175.265 174.900 -1.102 0.000 0.984 947 G CA 0.258 44.150 45.100 -2.014 0.000 0.660 947 G HN 1.553 nan 8.290 nan 0.000 0.525 948 G N 1.144 109.584 108.800 -0.599 0.000 2.479 948 G HA2 -0.002 3.958 3.960 -0.001 0.000 0.220 948 G HA3 -0.002 3.958 3.960 -0.001 0.000 0.220 948 G C 1.242 176.078 174.900 -0.107 0.000 1.115 948 G CA 1.792 46.766 45.100 -0.210 0.000 0.757 948 G HN 0.839 nan 8.290 nan 0.000 0.560 949 D N -0.748 119.509 120.400 -0.239 0.000 2.349 949 D HA 0.017 4.656 4.640 -0.001 0.000 0.214 949 D C 0.333 176.629 176.300 -0.007 0.000 1.063 949 D CA -0.481 53.469 54.000 -0.083 0.000 0.847 949 D CB -0.910 39.849 40.800 -0.069 0.000 0.933 949 D HN 0.463 nan 8.370 nan 0.000 0.513 950 H N 1.285 120.252 119.070 -0.171 0.000 2.848 950 H HA 0.214 4.769 4.556 -0.001 0.000 0.341 950 H C -1.950 173.349 175.328 -0.048 0.000 1.060 950 H CA -1.711 54.259 56.048 -0.130 0.000 1.444 950 H CB 0.519 30.155 29.762 -0.211 0.000 1.446 950 H HN 0.014 nan 8.280 nan 0.000 0.583 951 P HA -0.058 nan 4.420 nan 0.000 0.268 951 P C -0.529 176.839 177.300 0.113 0.000 1.205 951 P CA 0.072 63.233 63.100 0.102 0.000 0.771 951 P CB 0.735 32.474 31.700 0.064 0.000 0.858 952 S N 2.158 117.959 115.700 0.168 0.000 2.415 952 S HA 0.565 5.035 4.470 -0.001 0.000 0.313 952 S C 0.032 174.742 174.600 0.182 0.000 1.067 952 S CA -0.567 57.763 58.200 0.216 0.000 1.099 952 S CB -0.682 62.754 63.200 0.395 0.000 0.991 952 S HN 0.502 nan 8.310 nan 0.000 0.491 953 A N 4.476 127.396 122.820 0.168 0.000 2.332 953 A HA 0.508 4.828 4.320 -0.001 0.000 0.258 953 A C 0.553 178.211 177.584 0.124 0.000 1.087 953 A CA -0.562 51.554 52.037 0.131 0.000 0.802 953 A CB 0.227 19.301 19.000 0.123 0.000 1.042 953 A HN 0.902 nan 8.150 nan 0.000 0.489 954 R N 0.069 120.614 120.500 0.075 0.000 2.697 954 R HA -0.048 4.292 4.340 -0.001 0.000 0.265 954 R C 1.435 177.755 176.300 0.034 0.000 1.009 954 R CA 0.987 57.108 56.100 0.035 0.000 1.099 954 R CB 0.327 30.633 30.300 0.010 0.000 0.965 954 R HN 0.923 nan 8.270 nan 0.000 0.428 955 E N 1.809 121.992 120.200 -0.028 0.000 2.265 955 E HA -0.232 4.117 4.350 -0.001 0.000 0.196 955 E C 0.359 176.998 176.600 0.064 0.000 0.996 955 E CA 1.545 57.906 56.400 -0.065 0.000 0.832 955 E CB -0.062 29.574 29.700 -0.108 0.000 0.756 955 E HN 0.753 nan 8.360 nan 0.000 0.491 956 D N 0.635 121.036 120.400 0.001 0.000 2.349 956 D HA -0.015 4.624 4.640 -0.001 0.000 0.224 956 D C 0.363 176.666 176.300 0.005 0.000 1.029 956 D CA -0.077 53.884 54.000 -0.064 0.000 0.879 956 D CB -0.040 40.663 40.800 -0.161 0.000 0.906 956 D HN 0.174 nan 8.370 nan 0.000 0.528 957 L N 0.830 122.102 121.223 0.082 0.000 2.307 957 L HA 0.496 4.836 4.340 -0.001 0.000 0.282 957 L C -1.061 175.936 176.870 0.211 0.000 1.051 957 L CA -0.424 54.482 54.840 0.111 0.000 0.804 957 L CB 1.625 43.738 42.059 0.090 0.000 1.197 957 L HN -0.217 nan 8.230 nan 0.000 0.431 958 D N 2.395 122.940 120.400 0.241 0.000 2.575 958 D HA 0.362 5.002 4.640 -0.001 0.000 0.236 958 D C -1.279 175.178 176.300 0.262 0.000 1.075 958 D CA -0.270 53.894 54.000 0.272 0.000 0.860 958 D CB 2.376 43.381 40.800 0.341 0.000 1.475 958 D HN 0.225 nan 8.370 nan 0.000 0.474 959 V N 3.518 123.564 119.914 0.220 0.000 2.267 959 V HA 0.124 4.243 4.120 -0.001 0.000 0.254 959 V C 1.291 177.516 176.094 0.218 0.000 1.144 959 V CA -0.012 62.428 62.300 0.234 0.000 0.992 959 V CB 0.426 32.375 31.823 0.210 0.000 1.199 959 V HN 0.581 nan 8.190 nan 0.000 0.493 960 S N 3.059 118.915 115.700 0.260 0.000 2.383 960 S HA -0.000 4.469 4.470 -0.001 0.000 0.227 960 S C 0.661 175.312 174.600 0.086 0.000 1.026 960 S CA 0.802 59.110 58.200 0.180 0.000 0.981 960 S CB 0.188 63.550 63.200 0.270 0.000 0.818 960 S HN 0.499 nan 8.310 nan 0.000 0.472 961 V N 1.621 121.626 119.914 0.151 0.000 2.686 961 V HA 0.518 4.637 4.120 -0.001 0.000 0.306 961 V C -0.767 175.399 176.094 0.121 0.000 1.065 961 V CA -0.540 61.828 62.300 0.113 0.000 0.894 961 V CB 1.855 33.771 31.823 0.155 0.000 1.004 961 V HN 0.365 nan 8.190 nan 0.000 0.424 962 M N 5.652 125.246 119.600 -0.009 0.000 2.197 962 M HA 0.689 5.168 4.480 -0.001 0.000 0.301 962 M C -1.038 175.099 176.300 -0.272 0.000 0.987 962 M CA -0.497 54.669 55.300 -0.223 0.000 0.921 962 M CB 1.510 33.985 32.600 -0.209 0.000 1.569 962 M HN 0.741 nan 8.290 nan 0.000 0.431 963 R N 4.126 124.393 120.500 -0.387 0.000 2.515 963 R HA 0.420 4.759 4.340 -0.001 0.000 0.291 963 R C -1.368 174.705 176.300 -0.378 0.000 1.046 963 R CA -0.682 55.242 56.100 -0.295 0.000 0.914 963 R CB 1.800 32.003 30.300 -0.162 0.000 1.191 963 R HN 0.908 nan 8.270 nan 0.000 0.435 964 R N 4.428 124.762 120.500 -0.277 0.000 2.442 964 R HA 0.125 4.464 4.340 -0.001 0.000 0.291 964 R C 0.207 176.397 176.300 -0.183 0.000 1.069 964 R CA 0.118 56.083 56.100 -0.226 0.000 1.022 964 R CB 0.608 30.831 30.300 -0.129 0.000 0.976 964 R HN 0.700 nan 8.270 nan 0.000 0.443 965 L N 2.950 124.059 121.223 -0.189 0.000 2.616 965 L HA 0.148 4.487 4.340 -0.001 0.000 0.229 965 L C 0.318 177.137 176.870 -0.086 0.000 1.110 965 L CA 0.028 54.776 54.840 -0.154 0.000 0.884 965 L CB 0.489 42.423 42.059 -0.208 0.000 1.115 965 L HN 0.712 nan 8.230 nan 0.000 0.481 966 T N -2.616 111.898 114.554 -0.067 0.000 2.885 966 T HA 0.454 4.803 4.350 -0.001 0.000 0.285 966 T C -0.230 174.462 174.700 -0.014 0.000 1.019 966 T CA -0.898 61.180 62.100 -0.035 0.000 1.010 966 T CB 2.434 71.287 68.868 -0.026 0.000 1.022 966 T HN -0.085 nan 8.240 nan 0.000 0.466 967 K N 0.890 121.288 120.400 -0.004 0.000 2.117 967 K HA 0.331 4.651 4.320 -0.001 0.000 0.240 967 K C 1.644 178.257 176.600 0.021 0.000 1.031 967 K CA -0.262 56.034 56.287 0.014 0.000 0.909 967 K CB 0.503 33.010 32.500 0.012 0.000 1.097 967 K HN 0.798 nan 8.250 nan 0.000 0.492 968 S N -0.680 115.041 115.700 0.034 0.000 2.447 968 S HA -0.140 4.329 4.470 -0.001 0.000 0.233 968 S C 1.752 176.365 174.600 0.022 0.000 1.006 968 S CA 1.381 59.600 58.200 0.032 0.000 0.957 968 S CB -0.357 62.868 63.200 0.043 0.000 0.773 968 S HN 0.620 nan 8.310 nan 0.000 0.507 969 S N 1.611 117.322 115.700 0.019 0.000 2.522 969 S HA 0.407 4.876 4.470 -0.001 0.000 0.227 969 S C 0.849 175.455 174.600 0.010 0.000 0.986 969 S CA 0.088 58.297 58.200 0.015 0.000 0.929 969 S CB -0.628 62.580 63.200 0.014 0.000 0.769 969 S HN 0.768 nan 8.310 nan 0.000 0.529 970 A N 2.000 124.825 122.820 0.007 0.000 2.451 970 A HA 0.358 4.677 4.320 -0.001 0.000 0.266 970 A C 1.268 178.856 177.584 0.007 0.000 1.119 970 A CA -0.374 51.665 52.037 0.003 0.000 0.786 970 A CB 0.165 19.164 19.000 -0.003 0.000 1.061 970 A HN 0.459 nan 8.150 nan 0.000 0.503 971 K N 1.850 122.254 120.400 0.006 0.000 2.063 971 K HA -0.108 4.212 4.320 -0.001 0.000 0.208 971 K C 0.106 176.714 176.600 0.014 0.000 1.048 971 K CA 1.753 58.045 56.287 0.009 0.000 0.928 971 K CB -0.057 32.446 32.500 0.005 0.000 0.713 971 K HN 0.660 nan 8.250 nan 0.000 0.442 972 T N 2.459 117.019 114.554 0.009 0.000 2.753 972 T HA 0.183 4.532 4.350 -0.001 0.000 0.297 972 T C -0.818 173.895 174.700 0.021 0.000 0.981 972 T CA -0.677 61.432 62.100 0.014 0.000 0.956 972 T CB 1.437 70.303 68.868 -0.003 0.000 0.936 972 T HN 0.087 nan 8.240 nan 0.000 0.463 973 Q N 2.774 122.605 119.800 0.051 0.000 2.340 973 Q HA 0.402 4.741 4.340 -0.001 0.000 0.249 973 Q C 0.072 176.125 176.000 0.087 0.000 0.957 973 Q CA 0.023 55.859 55.803 0.054 0.000 0.882 973 Q CB 1.374 30.144 28.738 0.053 0.000 1.235 973 Q HN 0.546 nan 8.270 nan 0.000 0.439 974 R N 0.442 120.959 120.500 0.029 0.000 2.575 974 R HA 0.641 4.980 4.340 -0.001 0.000 0.293 974 R C -1.069 175.184 176.300 -0.078 0.000 0.983 974 R CA -0.651 55.451 56.100 0.004 0.000 0.887 974 R CB 1.833 32.103 30.300 -0.050 0.000 1.184 974 R HN 0.255 nan 8.270 nan 0.000 0.445 975 V N 1.523 121.386 119.914 -0.084 0.000 2.531 975 V HA 0.598 4.718 4.120 -0.001 0.000 0.301 975 V C 0.232 176.052 176.094 -0.457 0.000 1.034 975 V CA -0.861 61.257 62.300 -0.303 0.000 0.865 975 V CB 2.012 33.658 31.823 -0.296 0.000 0.995 975 V HN 0.944 nan 8.190 nan 0.000 0.424 976 G N 2.940 111.271 108.800 -0.782 0.000 2.371 976 G HA2 0.662 4.621 3.960 -0.001 0.000 0.326 976 G HA3 0.662 4.621 3.960 -0.001 0.000 0.326 976 G C -1.643 172.836 174.900 -0.702 0.000 1.127 976 G CA -0.297 44.191 45.100 -1.019 0.000 0.885 976 G HN 0.508 nan 8.290 nan 0.000 0.477 977 Y N 0.427 120.822 120.300 0.158 0.000 2.442 977 Y HA 0.459 5.009 4.550 -0.001 0.000 0.344 977 Y C -0.126 176.038 175.900 0.440 0.000 0.976 977 Y CA -0.897 57.375 58.100 0.288 0.000 1.040 977 Y CB 2.750 41.346 38.460 0.226 0.000 1.228 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 5.188 125.393 119.914 0.484 0.000 2.370 978 V HA 0.386 4.506 4.120 -0.001 0.000 0.283 978 V C -0.343 175.971 176.094 0.368 0.000 1.023 978 V CA -0.752 61.758 62.300 0.348 0.000 0.857 978 V CB 1.222 33.202 31.823 0.262 0.000 0.985 978 V HN 0.591 nan 8.190 nan 0.000 0.443 979 L N 4.659 126.085 121.223 0.339 0.000 2.307 979 L HA 0.584 4.923 4.340 -0.001 0.000 0.284 979 L C -0.734 176.335 176.870 0.332 0.000 1.023 979 L CA -0.588 54.447 54.840 0.324 0.000 0.810 979 L CB 1.593 43.838 42.059 0.310 0.000 1.231 979 L HN 0.717 nan 8.230 nan 0.000 0.423 980 H N 3.602 122.820 119.070 0.247 0.000 2.609 980 H HA 0.412 4.968 4.556 -0.001 0.000 0.344 980 H C -1.027 174.385 175.328 0.140 0.000 1.040 980 H CA -0.570 55.595 56.048 0.194 0.000 1.216 980 H CB 1.505 31.447 29.762 0.300 0.000 1.529 980 H HN 0.460 nan 8.280 nan 0.000 0.519 981 R N 4.381 124.554 120.500 -0.545 0.000 2.343 981 R HA 0.297 4.636 4.340 -0.001 0.000 0.320 981 R C -0.321 175.559 176.300 -0.701 0.000 0.956 981 R CA -0.458 55.377 56.100 -0.441 0.000 0.836 981 R CB 1.250 31.419 30.300 -0.219 0.000 1.151 981 R HN 0.762 nan 8.270 nan 0.000 0.450 982 T N 1.613 115.902 114.554 -0.443 0.000 2.771 982 T HA 0.138 4.488 4.350 -0.001 0.000 0.290 982 T C -0.428 174.096 174.700 -0.292 0.000 1.005 982 T CA -0.352 61.575 62.100 -0.288 0.000 0.944 982 T CB 0.540 69.313 68.868 -0.159 0.000 1.147 982 T HN 0.676 nan 8.240 nan 0.000 0.534 983 N N 0.672 119.223 118.700 -0.248 0.000 2.399 983 N HA 0.473 5.212 4.740 -0.001 0.000 0.284 983 N C -1.442 173.908 175.510 -0.268 0.000 1.025 983 N CA -0.488 52.359 53.050 -0.337 0.000 0.885 983 N CB 0.634 38.767 38.487 -0.589 0.000 1.339 983 N HN 0.459 nan 8.380 nan 0.000 0.487 984 L N 2.658 123.722 121.223 -0.265 0.000 2.331 984 L HA 0.545 4.884 4.340 -0.001 0.000 0.275 984 L C 0.483 177.230 176.870 -0.205 0.000 1.022 984 L CA -0.971 53.748 54.840 -0.203 0.000 0.812 984 L CB 1.616 43.566 42.059 -0.182 0.000 1.257 984 L HN 0.378 nan 8.230 nan 0.000 0.435 985 M N 2.053 121.551 119.600 -0.169 0.000 2.245 985 M HA 0.094 4.574 4.480 -0.001 0.000 0.344 985 M C -0.177 176.038 176.300 -0.142 0.000 1.170 985 M CA -0.147 55.056 55.300 -0.161 0.000 1.135 985 M CB 0.458 32.969 32.600 -0.148 0.000 1.574 985 M HN 0.454 nan 8.290 nan 0.000 0.452 986 Q N 1.966 121.687 119.800 -0.133 0.000 2.323 986 Q HA 0.178 4.518 4.340 -0.001 0.000 0.257 986 Q C -0.206 175.737 176.000 -0.094 0.000 1.022 986 Q CA 0.138 55.876 55.803 -0.108 0.000 0.919 986 Q CB 0.828 29.506 28.738 -0.100 0.000 1.220 986 Q HN 0.805 nan 8.270 nan 0.000 0.427 987 c N 0.541 119.088 118.600 -0.088 0.000 3.240 987 c HA 0.378 4.947 4.570 -0.001 0.000 0.271 987 c C 1.273 175.324 174.090 -0.066 0.000 1.534 987 c CA 0.003 56.284 56.329 -0.079 0.000 1.796 987 c CB -0.301 42.157 42.510 -0.087 0.000 2.892 987 c HN 1.002 nan 8.230 nan 0.000 0.566 988 G N 1.293 110.055 108.800 -0.063 0.000 2.159 988 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.227 988 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.227 988 G C -0.000 174.867 174.900 -0.054 0.000 0.986 988 G CA 0.302 45.369 45.100 -0.055 0.000 0.651 988 G HN 0.437 nan 8.290 nan 0.000 0.523 989 T N 3.079 117.597 114.554 -0.060 0.000 2.729 989 T HA 0.497 4.847 4.350 -0.001 0.000 0.296 989 T C -1.653 173.009 174.700 -0.063 0.000 0.928 989 T CA -0.533 61.532 62.100 -0.059 0.000 1.045 989 T CB 1.457 70.289 68.868 -0.060 0.000 0.902 989 T HN 0.199 nan 8.240 nan 0.000 0.500 990 P HA 0.089 nan 4.420 nan 0.000 0.266 990 P C -0.001 177.249 177.300 -0.084 0.000 1.195 990 P CA -0.257 62.801 63.100 -0.070 0.000 0.768 990 P CB 0.519 32.178 31.700 -0.069 0.000 0.838 991 E N 2.822 122.968 120.200 -0.090 0.000 2.259 991 E HA 0.047 4.397 4.350 -0.001 0.000 0.281 991 E C 0.057 176.562 176.600 -0.159 0.000 1.037 991 E CA -0.595 55.744 56.400 -0.101 0.000 0.854 991 E CB 0.659 30.311 29.700 -0.082 0.000 1.051 991 E HN 0.419 nan 8.360 nan 0.000 0.409 992 E N 4.402 124.499 120.200 -0.171 0.000 2.301 992 E HA 0.083 4.432 4.350 -0.001 0.000 0.275 992 E C -0.826 175.634 176.600 -0.233 0.000 1.030 992 E CA -0.652 55.573 56.400 -0.292 0.000 0.852 992 E CB 0.497 30.084 29.700 -0.188 0.000 1.060 992 E HN 0.496 nan 8.360 nan 0.000 0.401 993 H N 0.894 119.957 119.070 -0.011 0.000 2.964 993 H HA 0.246 4.801 4.556 -0.001 0.000 0.328 993 H C 0.388 175.719 175.328 0.005 0.000 1.030 993 H CA 0.074 56.119 56.048 -0.006 0.000 1.445 993 H CB 0.022 29.779 29.762 -0.007 0.000 1.449 993 H HN 0.633 nan 8.280 nan 0.000 0.581 994 T N 0.352 114.983 114.554 0.129 0.000 2.841 994 T HA 0.462 4.812 4.350 -0.001 0.000 0.276 994 T C -0.103 174.652 174.700 0.092 0.000 1.003 994 T CA -1.307 60.854 62.100 0.102 0.000 0.995 994 T CB 1.200 70.112 68.868 0.074 0.000 1.260 994 T HN 0.677 nan 8.240 nan 0.000 0.581 995 Q N 0.256 120.109 119.800 0.088 0.000 2.245 995 Q HA 0.410 4.750 4.340 -0.001 0.000 0.256 995 Q C -0.519 175.510 176.000 0.048 0.000 0.942 995 Q CA -0.899 54.943 55.803 0.064 0.000 0.896 995 Q CB 1.852 30.633 28.738 0.073 0.000 1.272 995 Q HN 0.538 nan 8.270 nan 0.000 0.442 996 K N 1.902 122.316 120.400 0.024 0.000 2.451 996 K HA 0.053 4.372 4.320 -0.001 0.000 0.280 996 K C -0.961 175.642 176.600 0.005 0.000 1.020 996 K CA -0.203 56.089 56.287 0.008 0.000 1.008 996 K CB 0.350 32.843 32.500 -0.012 0.000 0.917 996 K HN 0.408 nan 8.250 nan 0.000 0.478 997 L N 4.876 126.099 121.223 0.001 0.000 2.265 997 L HA 0.275 4.615 4.340 -0.001 0.000 0.289 997 L C -1.121 175.714 176.870 -0.059 0.000 1.033 997 L CA -0.065 54.767 54.840 -0.014 0.000 0.814 997 L CB 1.207 43.271 42.059 0.008 0.000 1.203 997 L HN 0.579 nan 8.230 nan 0.000 0.423 998 D N 3.570 123.926 120.400 -0.073 0.000 2.472 998 D HA 0.158 4.798 4.640 -0.001 0.000 0.234 998 D C 1.103 177.308 176.300 -0.158 0.000 1.088 998 D CA -0.262 53.673 54.000 -0.109 0.000 0.882 998 D CB 1.245 42.020 40.800 -0.041 0.000 1.037 998 D HN 0.394 nan 8.370 nan 0.000 0.520 999 V N 1.397 121.124 119.914 -0.311 0.000 2.594 999 V HA -0.183 3.936 4.120 -0.001 0.000 0.253 999 V C 2.132 177.927 176.094 -0.498 0.000 1.069 999 V CA 1.051 62.997 62.300 -0.590 0.000 1.082 999 V CB -1.085 30.130 31.823 -1.014 0.000 0.680 999 V HN 0.605 nan 8.190 nan 0.000 0.469 1000 c N 0.534 118.972 118.600 -0.269 0.000 2.437 1000 c HA 0.020 4.589 4.570 -0.001 0.000 0.283 1000 c C 2.091 176.086 174.090 -0.159 0.000 1.424 1000 c CA 1.247 57.485 56.329 -0.152 0.000 1.782 1000 c CB -1.801 40.610 42.510 -0.164 0.000 1.833 1000 c HN 0.770 nan 8.230 nan 0.000 0.532 1001 H N -1.069 117.978 119.070 -0.038 0.000 2.542 1001 H HA 0.267 4.823 4.556 -0.001 0.000 0.283 1001 H C 1.688 177.048 175.328 0.053 0.000 1.059 1001 H CA -0.038 56.026 56.048 0.028 0.000 1.162 1001 H CB 0.084 29.844 29.762 -0.003 0.000 1.539 1001 H HN 0.335 nan 8.280 nan 0.000 0.543 1002 L N -0.127 121.158 121.223 0.103 0.000 2.141 1002 L HA -0.010 4.330 4.340 -0.001 0.000 0.209 1002 L C 0.145 177.161 176.870 0.243 0.000 1.094 1002 L CA 0.877 55.803 54.840 0.143 0.000 0.763 1002 L CB 0.119 42.224 42.059 0.077 0.000 0.908 1002 L HN 0.202 nan 8.230 nan 0.000 0.437 1003 L N -0.079 121.250 121.223 0.177 0.000 2.331 1003 L HA 0.390 4.730 4.340 -0.001 0.000 0.275 1003 L C -2.082 174.853 176.870 0.108 0.000 1.022 1003 L CA -1.982 52.900 54.840 0.069 0.000 0.812 1003 L CB 1.449 43.333 42.059 -0.293 0.000 1.257 1003 L HN -0.202 nan 8.230 nan 0.000 0.435 1004 P HA 0.152 nan 4.420 nan 0.000 0.276 1004 P C -0.889 176.529 177.300 0.196 0.000 1.261 1004 P CA -0.304 62.875 63.100 0.132 0.000 0.800 1004 P CB 0.371 32.124 31.700 0.089 0.000 1.066 1005 N N -3.244 115.549 118.700 0.155 0.000 2.758 1005 N HA -0.148 4.592 4.740 -0.001 0.000 0.248 1005 N C -0.034 175.551 175.510 0.123 0.000 1.076 1005 N CA 0.105 53.233 53.050 0.131 0.000 0.696 1005 N CB -2.028 36.528 38.487 0.114 0.000 0.979 1005 N HN 0.252 nan 8.380 nan 0.000 0.550 1006 V N 0.002 119.939 119.914 0.039 0.000 2.585 1006 V HA 0.379 4.499 4.120 -0.001 0.000 0.296 1006 V C 1.212 177.202 176.094 -0.174 0.000 1.035 1006 V CA 1.131 63.286 62.300 -0.242 0.000 1.084 1006 V CB 1.163 32.742 31.823 -0.408 0.000 0.953 1006 V HN 0.443 nan 8.190 nan 0.000 0.483 1007 A N 7.039 129.736 122.820 -0.204 0.000 2.192 1007 A HA 0.475 4.795 4.320 -0.001 0.000 0.208 1007 A C 0.978 178.523 177.584 -0.065 0.000 1.220 1007 A CA 0.038 52.018 52.037 -0.095 0.000 0.900 1007 A CB 0.249 19.211 19.000 -0.064 0.000 0.937 1007 A HN 0.767 nan 8.150 nan 0.000 0.487 1008 R N -1.694 118.740 120.500 -0.109 0.000 2.634 1008 R HA 0.486 4.825 4.340 -0.001 0.000 0.263 1008 R C -2.307 173.966 176.300 -0.045 0.000 1.060 1008 R CA -0.341 55.756 56.100 -0.006 0.000 0.898 1008 R CB 1.521 31.832 30.300 0.018 0.000 1.253 1008 R HN 0.294 nan 8.270 nan 0.000 0.461 1009 c N 2.616 121.237 118.600 0.036 0.000 2.535 1009 c HA 0.620 5.189 4.570 -0.001 0.000 0.319 1009 c C -1.200 172.979 174.090 0.148 0.000 1.171 1009 c CA -0.211 56.144 56.329 0.044 0.000 1.394 1009 c CB 1.352 43.845 42.510 -0.028 0.000 1.990 1009 c HN 0.924 nan 8.230 nan 0.000 0.466 1010 E N 2.918 123.232 120.200 0.189 0.000 2.248 1010 E HA 0.424 4.773 4.350 -0.001 0.000 0.267 1010 E C -0.943 175.831 176.600 0.289 0.000 0.877 1010 E CA -0.573 55.957 56.400 0.217 0.000 0.759 1010 E CB 1.836 31.629 29.700 0.155 0.000 1.182 1010 E HN 0.638 nan 8.360 nan 0.000 0.418 1011 R N 1.616 122.269 120.500 0.256 0.000 2.390 1011 R HA 0.293 4.632 4.340 -0.001 0.000 0.291 1011 R C -0.425 175.908 176.300 0.056 0.000 1.070 1011 R CA 0.159 56.333 56.100 0.123 0.000 1.014 1011 R CB 0.594 30.937 30.300 0.072 0.000 1.007 1011 R HN 0.678 nan 8.270 nan 0.000 0.466 1012 T N -0.223 114.337 114.554 0.010 0.000 2.907 1012 T HA 0.346 4.696 4.350 -0.001 0.000 0.290 1012 T C 0.121 174.804 174.700 -0.028 0.000 1.066 1012 T CA -0.766 61.359 62.100 0.041 0.000 1.012 1012 T CB 1.403 70.364 68.868 0.154 0.000 1.184 1012 T HN 0.620 nan 8.240 nan 0.000 0.522 1013 T N 0.218 114.758 114.554 -0.022 0.000 2.791 1013 T HA 0.184 4.534 4.350 -0.001 0.000 0.323 1013 T C 1.593 176.212 174.700 -0.135 0.000 1.082 1013 T CA -0.645 61.420 62.100 -0.059 0.000 1.084 1013 T CB -0.079 68.772 68.868 -0.028 0.000 0.992 1013 T HN 0.568 nan 8.240 nan 0.000 0.547 1014 L N 1.150 122.278 121.223 -0.158 0.000 2.362 1014 L HA -0.027 4.312 4.340 -0.001 0.000 0.219 1014 L C 2.845 179.424 176.870 -0.485 0.000 1.134 1014 L CA 1.376 56.054 54.840 -0.270 0.000 0.807 1014 L CB -1.019 40.964 42.059 -0.126 0.000 0.927 1014 L HN 0.988 nan 8.230 nan 0.000 0.447 1015 T N -4.894 109.481 114.554 -0.297 0.000 3.129 1015 T HA 0.009 4.358 4.350 -0.001 0.000 0.251 1015 T C 0.744 175.346 174.700 -0.163 0.000 1.117 1015 T CA -0.188 61.771 62.100 -0.235 0.000 1.034 1015 T CB -0.137 68.715 68.868 -0.027 0.000 0.968 1015 T HN 0.215 nan 8.240 nan 0.000 0.526 1016 F N -0.942 119.020 119.950 0.022 0.000 2.794 1016 F HA -0.189 4.338 4.527 -0.001 0.000 0.335 1016 F C 1.018 176.819 175.800 0.003 0.000 0.653 1016 F CA -0.030 57.975 58.000 0.009 0.000 1.266 1016 F CB -2.309 36.692 39.000 0.002 0.000 1.666 1016 F HN 0.237 nan 8.300 nan 0.000 0.314 1017 L N -0.849 120.445 121.223 0.118 0.000 2.509 1017 L HA 0.101 4.441 4.340 -0.001 0.000 0.222 1017 L C 1.064 177.957 176.870 0.038 0.000 1.123 1017 L CA 0.909 55.791 54.840 0.070 0.000 0.856 1017 L CB 0.154 42.238 42.059 0.042 0.000 0.985 1017 L HN 0.339 nan 8.230 nan 0.000 0.456 1018 Q N 0.495 120.317 119.800 0.037 0.000 2.305 1018 Q HA 0.271 4.610 4.340 -0.001 0.000 0.271 1018 Q C -1.191 174.826 176.000 0.030 0.000 1.046 1018 Q CA -0.706 55.107 55.803 0.017 0.000 0.798 1018 Q CB 1.860 30.594 28.738 -0.006 0.000 1.286 1018 Q HN 0.085 nan 8.270 nan 0.000 0.435 1019 N N 4.395 123.111 118.700 0.027 0.000 2.470 1019 N HA 0.174 4.914 4.740 -0.001 0.000 0.268 1019 N C 0.305 175.833 175.510 0.029 0.000 1.136 1019 N CA 0.243 53.316 53.050 0.039 0.000 0.961 1019 N CB 1.061 39.567 38.487 0.032 0.000 1.067 1019 N HN 0.639 nan 8.380 nan 0.000 0.468 1020 L N 0.494 121.739 121.223 0.037 0.000 2.537 1020 L HA 0.304 4.644 4.340 -0.001 0.000 0.224 1020 L C 0.587 177.485 176.870 0.047 0.000 1.065 1020 L CA 0.400 55.256 54.840 0.027 0.000 0.860 1020 L CB 0.335 42.399 42.059 0.008 0.000 1.086 1020 L HN 0.507 nan 8.230 nan 0.000 0.482 1021 E N -0.337 119.911 120.200 0.079 0.000 2.321 1021 E HA 0.134 4.483 4.350 -0.001 0.000 0.281 1021 E C -1.317 175.382 176.600 0.164 0.000 0.910 1021 E CA -0.514 55.948 56.400 0.104 0.000 0.770 1021 E CB 1.480 31.236 29.700 0.092 0.000 1.225 1021 E HN 0.097 nan 8.360 nan 0.000 0.417 1022 H N 6.118 125.214 119.070 0.042 0.000 2.604 1022 H HA 0.317 4.873 4.556 -0.001 0.000 0.306 1022 H C -0.783 174.569 175.328 0.040 0.000 1.075 1022 H CA -0.547 55.524 56.048 0.037 0.000 1.357 1022 H CB 0.679 30.454 29.762 0.021 0.000 1.426 1022 H HN 0.389 nan 8.280 nan 0.000 0.470 1023 L N 5.278 126.431 121.223 -0.116 0.000 2.276 1023 L HA 0.103 4.442 4.340 -0.001 0.000 0.286 1023 L C 0.120 176.852 176.870 -0.231 0.000 1.061 1023 L CA -0.878 53.893 54.840 -0.116 0.000 0.807 1023 L CB 1.072 43.127 42.059 -0.007 0.000 1.177 1023 L HN 0.662 nan 8.230 nan 0.000 0.429 1024 D N 2.786 123.089 120.400 -0.163 0.000 2.493 1024 D HA 0.120 4.760 4.640 -0.001 0.000 0.240 1024 D C 1.195 177.443 176.300 -0.087 0.000 1.142 1024 D CA 1.282 55.201 54.000 -0.134 0.000 0.872 1024 D CB 1.027 41.781 40.800 -0.077 0.000 1.173 1024 D HN 0.829 nan 8.370 nan 0.000 0.467 1025 G N 3.127 111.884 108.800 -0.072 0.000 2.187 1025 G HA2 -0.404 3.556 3.960 -0.001 0.000 0.261 1025 G HA3 -0.404 3.556 3.960 -0.001 0.000 0.261 1025 G C 0.775 175.697 174.900 0.035 0.000 1.000 1025 G CA 0.527 45.617 45.100 -0.015 0.000 0.718 1025 G HN 0.668 nan 8.290 nan 0.000 0.519 1026 M N -2.972 116.617 119.600 -0.018 0.000 2.576 1026 M HA -0.193 4.286 4.480 -0.001 0.000 0.200 1026 M C 0.128 176.450 176.300 0.036 0.000 0.487 1026 M CA 0.914 56.203 55.300 -0.019 0.000 0.553 1026 M CB -1.806 30.758 32.600 -0.061 0.000 2.042 1026 M HN 0.210 nan 8.290 nan 0.000 0.758 1027 V N 0.688 120.612 119.914 0.016 0.000 2.398 1027 V HA 0.734 4.854 4.120 -0.001 0.000 0.286 1027 V C 0.601 176.615 176.094 -0.133 0.000 1.026 1027 V CA -0.346 61.950 62.300 -0.006 0.000 0.868 1027 V CB 1.782 33.595 31.823 -0.017 0.000 0.982 1027 V HN 0.371 nan 8.190 nan 0.000 0.443 1028 A N 7.811 130.467 122.820 -0.272 0.000 2.279 1028 A HA 0.751 5.070 4.320 -0.001 0.000 0.306 1028 A C -2.445 174.860 177.584 -0.465 0.000 1.300 1028 A CA -1.464 50.175 52.037 -0.664 0.000 0.925 1028 A CB 0.087 18.402 19.000 -1.142 0.000 1.152 1028 A HN 0.631 nan 8.150 nan 0.000 0.544 1029 P HA 0.181 nan 4.420 nan 0.000 0.272 1029 P C -0.099 177.196 177.300 -0.008 0.000 1.223 1029 P CA -0.167 62.888 63.100 -0.074 0.000 0.784 1029 P CB 0.559 32.275 31.700 0.026 0.000 0.923 1030 E N -0.038 120.168 120.200 0.009 0.000 2.409 1030 E HA 0.219 4.568 4.350 -0.001 0.000 0.257 1030 E C 0.118 176.771 176.600 0.087 0.000 1.150 1030 E CA -0.687 55.746 56.400 0.055 0.000 0.942 1030 E CB 0.390 30.104 29.700 0.024 0.000 0.979 1030 E HN 0.287 nan 8.360 nan 0.000 0.447 1031 V N -1.345 118.623 119.914 0.089 0.000 2.973 1031 V HA 0.347 4.467 4.120 -0.001 0.000 0.314 1031 V C 0.174 176.272 176.094 0.006 0.000 1.066 1031 V CA -1.142 61.197 62.300 0.065 0.000 1.021 1031 V CB 1.241 33.106 31.823 0.071 0.000 1.076 1031 V HN 0.743 nan 8.190 nan 0.000 0.462 1032 c N 2.486 121.084 118.600 -0.003 0.000 2.595 1032 c HA 0.431 5.000 4.570 -0.001 0.000 0.384 1032 c C -2.070 171.965 174.090 -0.091 0.000 1.289 1032 c CA -0.320 55.988 56.329 -0.034 0.000 2.372 1032 c CB -0.073 42.433 42.510 -0.007 0.000 2.593 1032 c HN 0.815 nan 8.230 nan 0.000 0.639 1033 P HA 0.045 nan 4.420 nan 0.000 0.262 1033 P C 0.278 177.426 177.300 -0.254 0.000 1.182 1033 P CA 0.926 63.892 63.100 -0.222 0.000 0.761 1033 P CB 0.177 31.727 31.700 -0.249 0.000 0.795 1034 M N -1.114 118.286 119.600 -0.334 0.000 2.931 1034 M HA -0.175 4.304 4.480 -0.001 0.000 0.190 1034 M C -0.124 176.174 176.300 -0.004 0.000 0.626 1034 M CA 1.360 56.453 55.300 -0.346 0.000 0.722 1034 M CB -2.046 30.035 32.600 -0.864 0.000 2.597 1034 M HN 0.405 nan 8.290 nan 0.000 0.299 1035 E N 0.558 120.750 120.200 -0.014 0.000 2.227 1035 E HA 0.701 5.050 4.350 -0.001 0.000 0.268 1035 E C 0.090 176.757 176.600 0.112 0.000 0.990 1035 E CA -0.088 56.379 56.400 0.111 0.000 0.856 1035 E CB 1.387 31.119 29.700 0.055 0.000 1.159 1035 E HN 0.147 nan 8.360 nan 0.000 0.401 1036 T N 0.571 115.210 114.554 0.140 0.000 2.881 1036 T HA 0.677 5.027 4.350 -0.001 0.000 0.290 1036 T C -0.795 173.916 174.700 0.018 0.000 1.000 1036 T CA -0.664 61.526 62.100 0.149 0.000 0.978 1036 T CB 1.588 70.559 68.868 0.172 0.000 0.997 1036 T HN 0.516 nan 8.240 nan 0.000 0.443 1037 A N 1.959 124.790 122.820 0.018 0.000 2.469 1037 A HA 1.006 5.326 4.320 -0.001 0.000 0.299 1037 A C -0.966 176.515 177.584 -0.172 0.000 1.098 1037 A CA -0.951 51.001 52.037 -0.142 0.000 0.737 1037 A CB 1.519 20.379 19.000 -0.233 0.000 1.312 1037 A HN 1.111 nan 8.150 nan 0.000 0.414 1038 A N 0.175 122.805 122.820 -0.317 0.000 2.365 1038 A HA 0.824 5.144 4.320 -0.001 0.000 0.318 1038 A C -1.602 175.802 177.584 -0.300 0.000 1.091 1038 A CA -0.355 51.604 52.037 -0.131 0.000 0.763 1038 A CB 0.778 19.730 19.000 -0.080 0.000 1.248 1038 A HN 0.851 nan 8.150 nan 0.000 0.442 1039 Y N 0.014 120.524 120.300 0.352 0.000 2.512 1039 Y HA 0.577 5.126 4.550 -0.001 0.000 0.348 1039 Y C -0.274 175.803 175.900 0.296 0.000 0.990 1039 Y CA -0.909 57.356 58.100 0.275 0.000 1.033 1039 Y CB 2.492 41.073 38.460 0.202 0.000 1.259 1039 Y HN 0.414 nan 8.280 nan 0.000 0.461 1040 V N 2.372 122.492 119.914 0.344 0.000 2.444 1040 V HA 0.489 4.609 4.120 -0.001 0.000 0.294 1040 V C -0.630 175.553 176.094 0.149 0.000 1.022 1040 V CA -0.941 61.458 62.300 0.165 0.000 0.850 1040 V CB 1.726 33.582 31.823 0.056 0.000 0.992 1040 V HN 0.832 nan 8.190 nan 0.000 0.426 1041 S N 3.453 119.246 115.700 0.155 0.000 2.508 1041 S HA 0.715 5.184 4.470 -0.001 0.000 0.284 1041 S C -0.209 174.333 174.600 -0.097 0.000 1.192 1041 S CA -0.587 57.629 58.200 0.026 0.000 1.070 1041 S CB 1.580 64.865 63.200 0.142 0.000 1.004 1041 S HN 0.563 nan 8.310 nan 0.000 0.493 1042 S N 2.423 117.945 115.700 -0.298 0.000 2.472 1042 S HA 0.538 5.008 4.470 -0.001 0.000 0.303 1042 S C -0.881 173.411 174.600 -0.514 0.000 1.099 1042 S CA -0.768 57.289 58.200 -0.239 0.000 1.077 1042 S CB 0.518 63.649 63.200 -0.115 0.000 1.031 1042 S HN 0.791 nan 8.310 nan 0.000 0.487 1043 H N 0.525 119.585 119.070 -0.017 0.000 2.679 1043 H HA 0.331 4.886 4.556 -0.001 0.000 0.360 1043 H C -0.803 174.521 175.328 -0.008 0.000 1.105 1043 H CA -0.643 55.397 56.048 -0.013 0.000 1.196 1043 H CB 1.677 31.433 29.762 -0.009 0.000 1.636 1043 H HN 0.457 nan 8.280 nan 0.000 0.531 1044 S N 2.163 117.916 115.700 0.089 0.000 2.488 1044 S HA 0.204 4.674 4.470 -0.001 0.000 0.278 1044 S C 0.683 175.322 174.600 0.064 0.000 1.259 1044 S CA -0.352 57.882 58.200 0.056 0.000 1.061 1044 S CB 0.429 63.650 63.200 0.036 0.000 0.910 1044 S HN 0.714 nan 8.310 nan 0.000 0.491 1045 S N 0.000 115.728 115.700 0.047 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.221 58.200 0.036 0.000 1.107 1045 S CB 0.000 63.219 63.200 0.032 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517