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 3dx2_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 0.002 0.000 1.108 31 c N 2.398 121.001 118.600 0.006 0.000 2.593 31 c HA 0.286 4.855 4.570 -0.001 0.000 0.409 31 c C 0.535 174.637 174.090 0.019 0.000 1.304 31 c CA -0.189 56.145 56.329 0.009 0.000 2.007 31 c CB -0.033 42.468 42.510 -0.015 0.000 2.614 31 c HN 0.390 nan 8.230 nan 0.000 0.585 32 Q N 1.761 121.589 119.800 0.046 0.000 2.361 32 Q HA 0.026 4.365 4.340 -0.001 0.000 0.276 32 Q C 0.055 176.085 176.000 0.049 0.000 1.022 32 Q CA 0.472 56.318 55.803 0.071 0.000 0.898 32 Q CB 0.515 29.334 28.738 0.135 0.000 1.246 32 Q HN 0.642 nan 8.270 nan 0.000 0.410 33 D N 1.825 122.255 120.400 0.050 0.000 2.325 33 D HA 0.046 4.685 4.640 -0.001 0.000 0.251 33 D C 0.496 176.841 176.300 0.076 0.000 1.196 33 D CA -0.166 53.846 54.000 0.020 0.000 0.866 33 D CB 1.209 42.021 40.800 0.021 0.000 1.101 33 D HN 0.378 nan 8.370 nan 0.000 0.476 34 V N 2.186 122.096 119.914 -0.006 0.000 3.647 34 V HA 0.097 4.217 4.120 -0.001 0.000 0.279 34 V C 1.092 177.238 176.094 0.087 0.000 1.314 34 V CA 0.075 62.432 62.300 0.095 0.000 1.125 34 V CB 0.246 31.956 31.823 -0.190 0.000 0.907 34 V HN 0.392 nan 8.190 nan 0.000 0.434 35 V N -0.141 119.743 119.914 -0.050 0.000 3.013 35 V HA 0.124 4.243 4.120 -0.001 0.000 0.238 35 V C 2.230 178.297 176.094 -0.045 0.000 1.161 35 V CA 1.149 63.366 62.300 -0.139 0.000 1.170 35 V CB 0.149 31.847 31.823 -0.208 0.000 0.917 35 V HN 0.473 nan 8.190 nan 0.000 0.478 36 Q N -0.387 119.443 119.800 0.049 0.000 2.319 36 Q HA 0.145 4.485 4.340 -0.001 0.000 0.209 36 Q C -0.519 175.565 176.000 0.140 0.000 0.884 36 Q CA 0.226 56.074 55.803 0.075 0.000 0.938 36 Q CB 0.742 29.498 28.738 0.029 0.000 1.098 36 Q HN 0.497 nan 8.270 nan 0.000 0.517 37 D N 1.155 121.673 120.400 0.198 0.000 2.440 37 D HA 0.174 4.813 4.640 -0.001 0.000 0.239 37 D C -0.693 175.728 176.300 0.202 0.000 1.084 37 D CA -0.270 53.829 54.000 0.166 0.000 0.843 37 D CB 2.282 43.156 40.800 0.124 0.000 1.097 37 D HN -0.171 nan 8.370 nan 0.000 0.531 38 V N 4.520 124.517 119.914 0.138 0.000 2.446 38 V HA 0.126 4.246 4.120 -0.001 0.000 0.276 38 V C -1.844 174.230 176.094 -0.034 0.000 1.030 38 V CA -1.105 61.197 62.300 0.004 0.000 1.033 38 V CB 0.282 32.114 31.823 0.016 0.000 0.993 38 V HN 0.312 nan 8.190 nan 0.000 0.477 39 P HA 0.092 nan 4.420 nan 0.000 0.268 39 P C -0.392 176.880 177.300 -0.047 0.000 1.205 39 P CA -0.164 62.904 63.100 -0.052 0.000 0.771 39 P CB 0.352 32.002 31.700 -0.083 0.000 0.858 40 N N 2.574 121.262 118.700 -0.020 0.000 2.420 40 N HA 0.326 5.066 4.740 -0.001 0.000 0.249 40 N C -1.046 174.456 175.510 -0.014 0.000 1.033 40 N CA -0.370 52.671 53.050 -0.015 0.000 0.944 40 N CB 0.088 38.575 38.487 -0.000 0.000 1.113 40 N HN 0.130 nan 8.380 nan 0.000 0.502 41 V N 0.435 120.334 119.914 -0.025 0.000 3.001 41 V HA 0.543 4.663 4.120 -0.001 0.000 0.314 41 V C 0.579 176.659 176.094 -0.023 0.000 1.099 41 V CA -0.739 61.549 62.300 -0.020 0.000 0.989 41 V CB 2.074 33.874 31.823 -0.038 0.000 1.040 41 V HN 0.382 nan 8.190 nan 0.000 0.434 42 D N 0.900 121.293 120.400 -0.011 0.000 2.149 42 D HA 0.029 4.668 4.640 -0.001 0.000 0.201 42 D C 0.500 176.770 176.300 -0.050 0.000 0.972 42 D CA 1.600 55.590 54.000 -0.016 0.000 0.835 42 D CB 0.478 41.285 40.800 0.011 0.000 0.966 42 D HN 0.422 nan 8.370 nan 0.000 0.476 43 V N 1.561 121.423 119.914 -0.086 0.000 2.483 43 V HA 0.212 4.331 4.120 -0.001 0.000 0.297 43 V C -0.340 175.659 176.094 -0.158 0.000 1.027 43 V CA -0.747 61.472 62.300 -0.135 0.000 0.855 43 V CB 2.350 34.048 31.823 -0.209 0.000 0.995 43 V HN -0.080 nan 8.190 nan 0.000 0.424 44 Q N 4.588 124.308 119.800 -0.134 0.000 2.341 44 Q HA 0.441 4.780 4.340 -0.001 0.000 0.268 44 Q C 0.410 176.315 176.000 -0.160 0.000 1.013 44 Q CA -0.691 55.024 55.803 -0.147 0.000 0.798 44 Q CB 1.893 30.566 28.738 -0.109 0.000 1.253 44 Q HN 0.670 nan 8.270 nan 0.000 0.457 45 M N 3.095 122.554 119.600 -0.236 0.000 2.213 45 M HA -0.154 4.325 4.480 -0.001 0.000 0.263 45 M C 1.595 177.787 176.300 -0.179 0.000 1.062 45 M CA 0.919 56.066 55.300 -0.256 0.000 1.105 45 M CB -0.789 31.528 32.600 -0.472 0.000 1.385 45 M HN 0.573 nan 8.290 nan 0.000 0.417 46 L N 0.717 121.829 121.223 -0.185 0.000 2.017 46 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 46 L C 2.499 179.358 176.870 -0.017 0.000 1.073 46 L CA 1.864 56.627 54.840 -0.128 0.000 0.745 46 L CB -0.691 41.270 42.059 -0.164 0.000 0.894 46 L HN 0.287 nan 8.230 nan 0.000 0.432 47 E N -0.395 119.783 120.200 -0.037 0.000 2.051 47 E HA -0.257 4.093 4.350 -0.001 0.000 0.192 47 E C 2.227 178.841 176.600 0.025 0.000 0.991 47 E CA 1.722 58.115 56.400 -0.010 0.000 0.799 47 E CB -0.352 29.328 29.700 -0.034 0.000 0.748 47 E HN 0.430 nan 8.360 nan 0.000 0.449 48 L N 0.559 121.796 121.223 0.023 0.000 2.012 48 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 48 L C 2.347 179.298 176.870 0.134 0.000 1.073 48 L CA 1.771 56.636 54.840 0.043 0.000 0.748 48 L CB -1.059 41.013 42.059 0.022 0.000 0.891 48 L HN 0.156 nan 8.230 nan 0.000 0.431 49 Y N 0.052 120.359 120.300 0.011 0.000 2.193 49 Y HA -0.288 4.262 4.550 -0.001 0.000 0.285 49 Y C 2.574 178.562 175.900 0.147 0.000 1.166 49 Y CA 1.871 60.061 58.100 0.149 0.000 1.181 49 Y CB -0.738 37.808 38.460 0.142 0.000 0.976 49 Y HN 0.393 nan 8.280 nan 0.000 0.520 50 D N -0.688 119.826 120.400 0.190 0.000 2.178 50 D HA -0.115 4.525 4.640 -0.001 0.000 0.202 50 D C 1.987 178.327 176.300 0.068 0.000 0.974 50 D CA 1.235 55.299 54.000 0.106 0.000 0.841 50 D CB 0.064 40.899 40.800 0.059 0.000 0.953 50 D HN 0.247 nan 8.370 nan 0.000 0.478 51 R N -1.203 119.321 120.500 0.040 0.000 2.189 51 R HA 0.247 4.586 4.340 -0.001 0.000 0.203 51 R C 0.817 177.095 176.300 -0.037 0.000 1.012 51 R CA -0.121 55.977 56.100 -0.002 0.000 1.015 51 R CB 0.171 30.458 30.300 -0.022 0.000 0.938 51 R HN 0.191 nan 8.270 nan 0.000 0.472 52 M N 0.271 119.821 119.600 -0.083 0.000 2.245 52 M HA -0.057 4.422 4.480 -0.001 0.000 0.330 52 M C 1.556 177.741 176.300 -0.192 0.000 1.098 52 M CA 0.355 55.505 55.300 -0.249 0.000 1.172 52 M CB 1.363 33.610 32.600 -0.590 0.000 1.467 52 M HN 0.026 nan 8.290 nan 0.000 0.454 53 S N 2.038 117.600 115.700 -0.230 0.000 2.377 53 S HA -0.048 4.421 4.470 -0.001 0.000 0.223 53 S C 0.808 175.464 174.600 0.093 0.000 1.030 53 S CA 1.037 59.196 58.200 -0.067 0.000 0.970 53 S CB -0.173 62.985 63.200 -0.070 0.000 0.830 53 S HN 0.743 nan 8.310 nan 0.000 0.473 54 F N -0.141 119.736 119.950 -0.121 0.000 2.935 54 F HA -0.167 4.359 4.527 -0.001 0.000 0.317 54 F C 0.394 176.208 175.800 0.023 0.000 0.699 54 F CA 0.668 58.606 58.000 -0.104 0.000 1.127 54 F CB -1.711 37.203 39.000 -0.142 0.000 1.491 54 F HN 0.113 nan 8.300 nan 0.000 0.337 55 K N 1.575 122.059 120.400 0.140 0.000 2.448 55 K HA 0.108 4.428 4.320 -0.001 0.000 0.278 55 K C 0.195 176.903 176.600 0.179 0.000 1.009 55 K CA 0.092 56.464 56.287 0.141 0.000 0.995 55 K CB 0.415 32.961 32.500 0.077 0.000 0.917 55 K HN 0.075 nan 8.250 nan 0.000 0.481 56 D N 3.411 123.932 120.400 0.202 0.000 2.518 56 D HA 0.174 4.813 4.640 -0.001 0.000 0.230 56 D C -0.309 176.044 176.300 0.089 0.000 1.138 56 D CA -0.531 53.600 54.000 0.219 0.000 0.964 56 D CB -0.550 40.384 40.800 0.223 0.000 1.011 56 D HN 0.456 nan 8.370 nan 0.000 0.517 57 I N -0.979 119.629 120.570 0.064 0.000 2.498 57 I HA 0.482 4.651 4.170 -0.001 0.000 0.301 57 I C 0.071 176.183 176.117 -0.009 0.000 0.984 57 I CA -0.918 60.395 61.300 0.022 0.000 1.204 57 I CB 1.452 39.463 38.000 0.019 0.000 1.362 57 I HN -0.097 nan 8.210 nan 0.000 0.471 58 D N 4.322 124.714 120.400 -0.013 0.000 2.346 58 D HA 0.156 4.795 4.640 -0.001 0.000 0.260 58 D C 0.944 177.233 176.300 -0.018 0.000 1.252 58 D CA 0.199 54.186 54.000 -0.023 0.000 0.895 58 D CB 1.553 42.347 40.800 -0.010 0.000 1.097 58 D HN 0.855 nan 8.370 nan 0.000 0.489 59 G N 2.349 111.122 108.800 -0.045 0.000 3.042 59 G HA2 0.431 4.390 3.960 -0.001 0.000 0.212 59 G HA3 0.431 4.390 3.960 -0.001 0.000 0.212 59 G C 0.883 175.788 174.900 0.008 0.000 1.166 59 G CA 0.423 45.499 45.100 -0.041 0.000 0.767 59 G HN 0.906 nan 8.290 nan 0.000 0.546 60 G N -0.481 108.328 108.800 0.015 0.000 2.464 60 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.216 60 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.216 60 G C 1.240 176.165 174.900 0.042 0.000 1.186 60 G CA 0.758 45.879 45.100 0.035 0.000 1.010 60 G HN 1.119 nan 8.290 nan 0.000 0.585 61 V N -3.511 116.426 119.914 0.040 0.000 2.407 61 V HA 0.076 4.195 4.120 -0.001 0.000 0.248 61 V C 1.478 177.605 176.094 0.054 0.000 1.055 61 V CA 2.437 64.743 62.300 0.010 0.000 1.049 61 V CB -0.576 31.219 31.823 -0.046 0.000 0.662 61 V HN 1.440 nan 8.190 nan 0.000 0.455 62 W N 2.577 123.788 121.300 -0.148 0.000 2.365 62 W HA 0.424 5.083 4.660 -0.001 0.000 0.371 62 W C 1.205 177.689 176.519 -0.059 0.000 1.006 62 W CA -1.722 55.529 57.345 -0.157 0.000 1.528 62 W CB 0.208 29.542 29.460 -0.209 0.000 1.497 62 W HN 0.039 nan 8.180 nan 0.000 0.367 63 K N 2.580 123.072 120.400 0.152 0.000 2.113 63 K HA -0.205 4.114 4.320 -0.001 0.000 0.208 63 K C 0.919 177.440 176.600 -0.132 0.000 1.047 63 K CA 1.635 57.918 56.287 -0.007 0.000 0.928 63 K CB 0.107 32.596 32.500 -0.019 0.000 0.716 63 K HN 0.575 nan 8.250 nan 0.000 0.446 64 Q N -1.044 118.634 119.800 -0.203 0.000 2.188 64 Q HA 0.164 4.503 4.340 -0.001 0.000 0.212 64 Q C 0.805 176.443 176.000 -0.603 0.000 0.846 64 Q CA -0.272 55.391 55.803 -0.233 0.000 0.989 64 Q CB 1.284 30.022 28.738 -0.000 0.000 1.114 64 Q HN 0.226 nan 8.270 nan 0.000 0.488 65 G N 0.579 108.587 108.800 -1.320 0.000 3.364 65 G HA2 0.516 4.476 3.960 -0.001 0.000 0.191 65 G HA3 0.516 4.476 3.960 -0.001 0.000 0.191 65 G C -1.413 173.175 174.900 -0.519 0.000 1.352 65 G CA -0.279 43.767 45.100 -1.757 0.000 0.758 65 G HN 0.357 nan 8.290 nan 0.000 0.730 66 W N -1.337 119.680 121.300 -0.473 0.000 2.959 66 W HA 0.634 5.293 4.660 -0.001 0.000 0.358 66 W C -1.493 175.121 176.519 0.157 0.000 1.228 66 W CA -1.166 56.132 57.345 -0.080 0.000 1.183 66 W CB 0.631 30.057 29.460 -0.056 0.000 1.467 66 W HN 0.181 nan 8.180 nan 0.000 0.578 67 N N 2.138 121.003 118.700 0.276 0.000 2.399 67 N HA 0.218 4.958 4.740 -0.001 0.000 0.259 67 N C -0.293 175.364 175.510 0.246 0.000 1.160 67 N CA 0.035 53.197 53.050 0.186 0.000 0.946 67 N CB 0.341 38.933 38.487 0.174 0.000 1.156 67 N HN 0.407 nan 8.380 nan 0.000 0.489 68 I N 2.123 122.736 120.570 0.073 0.000 2.556 68 I HA 0.016 4.185 4.170 -0.001 0.000 0.284 68 I C 0.839 177.115 176.117 0.264 0.000 1.114 68 I CA 0.291 61.702 61.300 0.185 0.000 1.418 68 I CB 0.495 38.549 38.000 0.090 0.000 1.394 68 I HN 0.112 nan 8.210 nan 0.000 0.552 69 K N 6.385 126.976 120.400 0.318 0.000 2.259 69 K HA 0.577 4.896 4.320 -0.001 0.000 0.249 69 K C -1.336 175.425 176.600 0.268 0.000 0.942 69 K CA -0.755 55.648 56.287 0.194 0.000 0.816 69 K CB 2.348 34.930 32.500 0.136 0.000 1.155 69 K HN 0.493 nan 8.250 nan 0.000 0.428 70 Y N -1.874 118.518 120.300 0.153 0.000 2.581 70 Y HA 0.425 4.974 4.550 -0.001 0.000 0.345 70 Y C -1.046 174.927 175.900 0.121 0.000 1.036 70 Y CA -1.516 56.675 58.100 0.151 0.000 1.042 70 Y CB 1.220 39.796 38.460 0.193 0.000 1.289 70 Y HN 0.390 nan 8.280 nan 0.000 0.471 71 D N 2.778 123.336 120.400 0.264 0.000 2.313 71 D HA 0.348 4.987 4.640 -0.001 0.000 0.239 71 D C -1.979 174.492 176.300 0.284 0.000 1.142 71 D CA -2.618 51.476 54.000 0.156 0.000 0.847 71 D CB 1.760 42.618 40.800 0.096 0.000 1.082 71 D HN 0.376 nan 8.370 nan 0.000 0.480 72 P HA -0.074 nan 4.420 nan 0.000 0.219 72 P C 1.259 178.715 177.300 0.259 0.000 1.146 72 P CA 0.870 64.178 63.100 0.346 0.000 0.808 72 P CB 0.220 32.050 31.700 0.217 0.000 0.779 73 L N -0.929 120.388 121.223 0.157 0.000 2.599 73 L HA 0.024 4.363 4.340 -0.001 0.000 0.230 73 L C 2.362 179.271 176.870 0.064 0.000 1.141 73 L CA 0.566 55.473 54.840 0.111 0.000 0.877 73 L CB -0.624 41.479 42.059 0.072 0.000 1.009 73 L HN -0.013 nan 8.230 nan 0.000 0.447 74 K N 0.701 121.102 120.400 0.002 0.000 2.063 74 K HA -0.152 4.168 4.320 -0.001 0.000 0.208 74 K C -0.092 176.365 176.600 -0.239 0.000 1.048 74 K CA 1.189 57.356 56.287 -0.200 0.000 0.928 74 K CB 0.040 32.299 32.500 -0.401 0.000 0.713 74 K HN 0.103 nan 8.250 nan 0.000 0.442 75 Y N 0.930 121.350 120.300 0.200 0.000 2.334 75 Y HA 0.256 4.806 4.550 -0.001 0.000 0.328 75 Y C 0.082 176.071 175.900 0.148 0.000 1.130 75 Y CA -1.047 57.163 58.100 0.184 0.000 1.163 75 Y CB 1.223 39.744 38.460 0.102 0.000 1.207 75 Y HN 0.279 nan 8.280 nan 0.000 0.471 76 N N -0.492 118.380 118.700 0.288 0.000 3.344 76 N HA 0.545 5.284 4.740 -0.001 0.000 0.296 76 N C 0.099 175.688 175.510 0.132 0.000 1.571 76 N CA -0.453 52.711 53.050 0.190 0.000 0.844 76 N CB 0.390 38.983 38.487 0.177 0.000 1.718 76 N HN 0.471 nan 8.380 nan 0.000 0.589 77 A N -1.244 121.611 122.820 0.058 0.000 1.978 77 A HA -0.170 4.149 4.320 -0.001 0.000 0.220 77 A C 1.040 178.517 177.584 -0.180 0.000 1.170 77 A CA 1.286 53.267 52.037 -0.094 0.000 0.636 77 A CB -1.062 17.822 19.000 -0.193 0.000 0.810 77 A HN 0.695 nan 8.150 nan 0.000 0.448 78 H N -2.938 116.188 119.070 0.093 0.000 2.551 78 H HA 0.132 4.687 4.556 -0.001 0.000 0.271 78 H C -0.430 175.000 175.328 0.171 0.000 0.984 78 H CA 0.649 56.756 56.048 0.098 0.000 1.164 78 H CB 0.190 29.998 29.762 0.077 0.000 1.437 78 H HN 0.711 nan 8.280 nan 0.000 0.550 79 H N 0.426 119.577 119.070 0.134 0.000 2.809 79 H HA 0.266 4.822 4.556 -0.001 0.000 0.268 79 H C -0.849 174.587 175.328 0.180 0.000 1.403 79 H CA -0.446 55.682 56.048 0.134 0.000 1.564 79 H CB 0.216 30.051 29.762 0.121 0.000 1.834 79 H HN -0.050 nan 8.280 nan 0.000 0.613 80 K N 2.060 122.409 120.400 -0.084 0.000 2.087 80 K HA 0.339 4.658 4.320 -0.001 0.000 0.255 80 K C -0.712 175.773 176.600 -0.192 0.000 0.988 80 K CA -1.279 54.961 56.287 -0.079 0.000 0.915 80 K CB 1.692 34.132 32.500 -0.101 0.000 1.043 80 K HN 0.226 nan 8.250 nan 0.000 0.457 81 L N 2.344 123.387 121.223 -0.300 0.000 2.278 81 L HA 0.196 4.535 4.340 -0.001 0.000 0.287 81 L C -0.638 176.020 176.870 -0.353 0.000 1.072 81 L CA -0.079 54.505 54.840 -0.427 0.000 0.819 81 L CB 0.309 41.870 42.059 -0.830 0.000 1.176 81 L HN 0.343 nan 8.230 nan 0.000 0.435 82 K N 4.145 124.352 120.400 -0.321 0.000 2.253 82 K HA 0.539 4.858 4.320 -0.001 0.000 0.277 82 K C -1.500 174.776 176.600 -0.540 0.000 1.053 82 K CA -0.343 55.689 56.287 -0.425 0.000 0.892 82 K CB 0.907 33.203 32.500 -0.340 0.000 1.102 82 K HN 0.437 nan 8.250 nan 0.000 0.469 83 V N 6.009 125.485 119.914 -0.730 0.000 2.384 83 V HA 0.464 4.583 4.120 -0.001 0.000 0.287 83 V C -0.910 174.644 176.094 -0.899 0.000 1.020 83 V CA -0.720 61.100 62.300 -0.800 0.000 0.850 83 V CB 0.795 31.972 31.823 -1.077 0.000 0.987 83 V HN 0.578 nan 8.190 nan 0.000 0.436 84 F N 3.711 123.412 119.950 -0.414 0.000 2.361 84 F HA 0.500 5.026 4.527 -0.001 0.000 0.364 84 F C 0.186 175.801 175.800 -0.309 0.000 1.117 84 F CA -0.707 57.103 58.000 -0.316 0.000 1.071 84 F CB 1.748 40.632 39.000 -0.192 0.000 1.188 84 F HN 0.184 nan 8.300 nan 0.000 0.464 85 V N 5.128 124.999 119.914 -0.070 0.000 2.385 85 V HA 0.298 4.417 4.120 -0.001 0.000 0.269 85 V C -0.206 175.985 176.094 0.161 0.000 1.043 85 V CA -0.624 61.700 62.300 0.040 0.000 0.906 85 V CB 1.220 33.144 31.823 0.169 0.000 0.995 85 V HN 0.431 nan 8.190 nan 0.000 0.467 86 V N 8.398 128.352 119.914 0.067 0.000 2.293 86 V HA 0.318 4.437 4.120 -0.001 0.000 0.275 86 V C -2.364 173.754 176.094 0.039 0.000 1.021 86 V CA -1.933 60.372 62.300 0.007 0.000 0.815 86 V CB 1.440 33.175 31.823 -0.146 0.000 1.025 86 V HN 0.717 nan 8.190 nan 0.000 0.448 87 P HA 0.341 nan 4.420 nan 0.000 0.271 87 P C -0.871 176.394 177.300 -0.058 0.000 1.216 87 P CA 0.240 63.291 63.100 -0.081 0.000 0.771 87 P CB 0.378 31.840 31.700 -0.397 0.000 0.864 88 H N -1.142 117.899 119.070 -0.049 0.000 3.017 88 H HA 0.791 5.346 4.556 -0.001 0.000 0.346 88 H C -1.494 173.922 175.328 0.147 0.000 1.286 88 H CA -1.112 54.812 56.048 -0.206 0.000 1.120 88 H CB 0.980 30.574 29.762 -0.280 0.000 1.860 88 H HN 0.194 nan 8.280 nan 0.000 0.542 89 S N 0.778 116.481 115.700 0.005 0.000 2.750 89 S HA 0.203 4.673 4.470 -0.001 0.000 0.276 89 S C -1.823 172.708 174.600 -0.114 0.000 1.165 89 S CA -0.664 57.595 58.200 0.098 0.000 1.047 89 S CB 0.117 63.558 63.200 0.401 0.000 1.056 89 S HN 0.846 nan 8.310 nan 0.000 0.481 90 H N 4.447 123.431 119.070 -0.143 0.000 2.864 90 H HA 0.416 4.971 4.556 -0.001 0.000 0.281 90 H C -0.115 174.829 175.328 -0.640 0.000 1.093 90 H CA 0.353 56.230 56.048 -0.285 0.000 1.453 90 H CB 0.216 29.872 29.762 -0.176 0.000 1.462 90 H HN 0.560 nan 8.280 nan 0.000 0.480 91 N N 5.557 123.621 118.700 -1.060 0.000 2.564 91 N HA 0.061 4.800 4.740 -0.001 0.000 0.248 91 N C -1.186 173.885 175.510 -0.731 0.000 0.986 91 N CA -0.606 51.693 53.050 -1.251 0.000 0.921 91 N CB 1.086 39.123 38.487 -0.751 0.000 1.136 91 N HN 0.659 nan 8.380 nan 0.000 0.509 92 D N 2.752 122.758 120.400 -0.658 0.000 2.343 92 D HA 0.107 4.746 4.640 -0.001 0.000 0.255 92 D C -2.080 174.283 176.300 0.105 0.000 1.187 92 D CA -0.900 52.974 54.000 -0.209 0.000 0.875 92 D CB 1.464 42.394 40.800 0.217 0.000 1.136 92 D HN 0.195 nan 8.370 nan 0.000 0.469 93 P HA 0.180 nan 4.420 nan 0.000 0.235 93 P C 0.021 177.528 177.300 0.344 0.000 1.765 93 P CA 0.009 63.125 63.100 0.027 0.000 1.034 93 P CB 0.147 31.736 31.700 -0.183 0.000 1.984 94 G N 0.358 109.528 108.800 0.617 0.000 3.067 94 G HA2 0.019 3.979 3.960 -0.001 0.000 0.686 94 G HA3 0.019 3.979 3.960 -0.001 0.000 0.686 94 G C -1.101 174.328 174.900 0.881 0.000 1.119 94 G CA -0.640 44.844 45.100 0.641 0.000 0.790 94 G HN 0.363 nan 8.290 nan 0.000 0.605 95 W N 2.549 124.192 121.300 0.572 0.000 4.491 95 W HA 0.318 4.978 4.660 -0.001 0.000 0.161 95 W C 0.923 177.622 176.519 0.300 0.000 3.471 95 W CA 0.876 58.523 57.345 0.502 0.000 1.147 95 W CB -0.728 29.111 29.460 0.631 0.000 2.109 95 W HN 0.497 nan 8.180 nan 0.000 0.361 96 I N 1.988 122.518 120.570 -0.067 0.000 3.030 96 I HA 0.129 4.298 4.170 -0.001 0.000 0.270 96 I C 0.377 176.358 176.117 -0.225 0.000 1.211 96 I CA 1.062 62.160 61.300 -0.336 0.000 1.479 96 I CB -1.211 36.566 38.000 -0.371 0.000 1.105 96 I HN 0.114 nan 8.210 nan 0.000 0.447 97 Q N -0.023 119.488 119.800 -0.481 0.000 2.416 97 Q HA 0.379 4.719 4.340 -0.001 0.000 0.279 97 Q C 0.160 175.915 176.000 -0.409 0.000 1.101 97 Q CA -0.650 54.820 55.803 -0.555 0.000 0.830 97 Q CB 2.007 30.139 28.738 -1.011 0.000 1.402 97 Q HN 0.230 nan 8.270 nan 0.000 0.445 98 T N -2.159 112.271 114.554 -0.207 0.000 2.766 98 T HA 0.109 4.458 4.350 -0.001 0.000 0.295 98 T C 0.799 175.591 174.700 0.154 0.000 1.024 98 T CA -0.462 61.595 62.100 -0.072 0.000 1.018 98 T CB 0.306 69.161 68.868 -0.021 0.000 1.002 98 T HN 0.572 nan 8.240 nan 0.000 0.532 99 F N 1.206 121.228 119.950 0.120 0.000 2.063 99 F HA -0.174 4.352 4.527 -0.001 0.000 0.298 99 F C 2.452 178.443 175.800 0.318 0.000 1.109 99 F CA 2.447 60.594 58.000 0.245 0.000 1.212 99 F CB -0.338 38.699 39.000 0.061 0.000 0.973 99 F HN 0.788 nan 8.300 nan 0.000 0.480 100 E N 0.330 120.738 120.200 0.347 0.000 2.107 100 E HA -0.167 4.182 4.350 -0.001 0.000 0.191 100 E C 2.013 178.666 176.600 0.089 0.000 0.982 100 E CA 1.693 58.242 56.400 0.249 0.000 0.809 100 E CB -0.280 29.563 29.700 0.238 0.000 0.756 100 E HN 0.612 nan 8.360 nan 0.000 0.459 101 E N -0.968 119.224 120.200 -0.014 0.000 2.051 101 E HA -0.198 4.151 4.350 -0.001 0.000 0.192 101 E C 1.821 178.241 176.600 -0.301 0.000 0.991 101 E CA 1.215 57.450 56.400 -0.277 0.000 0.799 101 E CB -0.254 29.339 29.700 -0.178 0.000 0.748 101 E HN 0.342 nan 8.360 nan 0.000 0.449 102 Y N -0.615 119.646 120.300 -0.066 0.000 2.224 102 Y HA -0.235 4.314 4.550 -0.001 0.000 0.289 102 Y C 2.161 178.003 175.900 -0.096 0.000 1.146 102 Y CA 1.091 59.140 58.100 -0.085 0.000 1.182 102 Y CB -0.653 37.846 38.460 0.064 0.000 0.983 102 Y HN 0.188 nan 8.280 nan 0.000 0.524 103 Y N 0.840 121.156 120.300 0.026 0.000 2.145 103 Y HA -0.273 4.276 4.550 -0.001 0.000 0.286 103 Y C 2.275 178.140 175.900 -0.057 0.000 1.145 103 Y CA 1.849 59.913 58.100 -0.060 0.000 1.148 103 Y CB -0.325 38.097 38.460 -0.063 0.000 0.981 103 Y HN 0.038 nan 8.280 nan 0.000 0.507 104 Q N -0.648 119.055 119.800 -0.162 0.000 2.119 104 Q HA -0.163 4.176 4.340 -0.001 0.000 0.201 104 Q C 2.088 178.065 176.000 -0.039 0.000 0.972 104 Q CA 2.120 57.803 55.803 -0.199 0.000 0.847 104 Q CB -0.550 28.106 28.738 -0.137 0.000 0.903 104 Q HN 0.775 nan 8.270 nan 0.000 0.433 105 H N -0.752 118.342 119.070 0.042 0.000 2.497 105 H HA 0.054 4.609 4.556 -0.001 0.000 0.282 105 H C 0.917 176.340 175.328 0.159 0.000 1.003 105 H CA 0.637 56.740 56.048 0.092 0.000 1.307 105 H CB 0.677 30.456 29.762 0.029 0.000 1.437 105 H HN 0.202 nan 8.280 nan 0.000 0.544 106 D N -1.102 119.416 120.400 0.197 0.000 3.081 106 D HA 0.010 4.650 4.640 -0.001 0.000 0.243 106 D C 1.709 178.076 176.300 0.111 0.000 1.388 106 D CA 0.504 54.609 54.000 0.174 0.000 1.245 106 D CB -0.004 40.808 40.800 0.020 0.000 1.319 106 D HN 0.053 nan 8.370 nan 0.000 0.377 107 T N 2.495 117.028 114.554 -0.035 0.000 2.821 107 T HA -0.138 4.211 4.350 -0.001 0.000 0.267 107 T C 1.933 176.467 174.700 -0.276 0.000 1.046 107 T CA 1.416 63.451 62.100 -0.109 0.000 1.139 107 T CB -0.070 68.565 68.868 -0.388 0.000 0.871 107 T HN 0.242 nan 8.240 nan 0.000 0.454 108 K N 0.808 120.855 120.400 -0.589 0.000 2.147 108 K HA -0.154 4.165 4.320 -0.001 0.000 0.205 108 K C 1.920 178.255 176.600 -0.442 0.000 1.049 108 K CA 1.407 57.314 56.287 -0.633 0.000 0.936 108 K CB -0.369 31.524 32.500 -1.012 0.000 0.722 108 K HN 0.406 nan 8.250 nan 0.000 0.446 109 H N 1.046 120.043 119.070 -0.121 0.000 2.363 109 H HA 0.045 4.601 4.556 -0.001 0.000 0.301 109 H C 2.322 177.653 175.328 0.004 0.000 1.074 109 H CA 1.443 57.477 56.048 -0.024 0.000 1.354 109 H CB -0.185 29.590 29.762 0.021 0.000 1.397 109 H HN 0.186 nan 8.280 nan 0.000 0.516 110 I N 0.820 121.473 120.570 0.138 0.000 2.163 110 I HA -0.283 3.887 4.170 -0.001 0.000 0.243 110 I C 2.478 178.608 176.117 0.022 0.000 1.085 110 I CA 1.200 62.628 61.300 0.213 0.000 1.347 110 I CB -0.307 37.890 38.000 0.329 0.000 1.044 110 I HN 0.088 nan 8.210 nan 0.000 0.408 111 L N -0.399 120.619 121.223 -0.342 0.000 2.093 111 L HA -0.155 4.184 4.340 -0.001 0.000 0.208 111 L C 2.688 179.193 176.870 -0.608 0.000 1.085 111 L CA 0.968 55.351 54.840 -0.761 0.000 0.755 111 L CB -0.472 40.557 42.059 -1.716 0.000 0.904 111 L HN 0.167 nan 8.230 nan 0.000 0.435 112 S N 0.136 115.606 115.700 -0.383 0.000 2.359 112 S HA -0.150 4.319 4.470 -0.001 0.000 0.224 112 S C 1.718 176.273 174.600 -0.075 0.000 1.035 112 S CA 1.460 59.667 58.200 0.011 0.000 1.018 112 S CB -0.273 62.990 63.200 0.106 0.000 0.876 112 S HN 0.461 nan 8.310 nan 0.000 0.448 113 N N 1.639 120.279 118.700 -0.098 0.000 2.270 113 N HA 0.106 4.845 4.740 -0.001 0.000 0.181 113 N C 1.742 176.854 175.510 -0.663 0.000 1.016 113 N CA 1.003 53.907 53.050 -0.243 0.000 0.870 113 N CB -0.594 37.856 38.487 -0.061 0.000 0.979 113 N HN 0.388 nan 8.380 nan 0.000 0.431 114 A N 1.261 123.764 122.820 -0.528 0.000 1.902 114 A HA -0.110 4.209 4.320 -0.001 0.000 0.217 114 A C 2.187 179.469 177.584 -0.503 0.000 1.181 114 A CA 1.009 52.582 52.037 -0.774 0.000 0.623 114 A CB -0.746 18.091 19.000 -0.271 0.000 0.818 114 A HN 0.224 nan 8.150 nan 0.000 0.443 115 L N 0.191 121.268 121.223 -0.245 0.000 2.012 115 L HA -0.171 4.168 4.340 -0.001 0.000 0.210 115 L C 2.497 179.288 176.870 -0.131 0.000 1.073 115 L CA 2.629 57.410 54.840 -0.099 0.000 0.748 115 L CB -0.702 41.372 42.059 0.024 0.000 0.891 115 L HN 0.526 nan 8.230 nan 0.000 0.431 116 R N -1.771 118.619 120.500 -0.184 0.000 2.066 116 R HA -0.234 4.106 4.340 -0.001 0.000 0.232 116 R C 2.396 178.596 176.300 -0.167 0.000 1.131 116 R CA 1.879 57.895 56.100 -0.141 0.000 0.955 116 R CB -0.572 29.652 30.300 -0.127 0.000 0.851 116 R HN 0.556 nan 8.270 nan 0.000 0.432 117 H N 0.089 118.866 119.070 -0.489 0.000 2.428 117 H HA 0.051 4.606 4.556 -0.001 0.000 0.296 117 H C 1.998 177.105 175.328 -0.369 0.000 1.062 117 H CA 1.675 57.416 56.048 -0.512 0.000 1.350 117 H CB 0.095 29.275 29.762 -0.970 0.000 1.403 117 H HN 0.154 nan 8.280 nan 0.000 0.533 118 L N -0.816 120.229 121.223 -0.297 0.000 2.072 118 L HA -0.165 4.174 4.340 -0.001 0.000 0.205 118 L C 2.578 179.401 176.870 -0.078 0.000 1.079 118 L CA 1.347 56.096 54.840 -0.151 0.000 0.752 118 L CB -0.674 41.318 42.059 -0.111 0.000 0.906 118 L HN 0.480 nan 8.230 nan 0.000 0.436 119 H N 0.656 119.643 119.070 -0.138 0.000 2.319 119 H HA -0.209 4.346 4.556 -0.001 0.000 0.297 119 H C 1.220 176.486 175.328 -0.103 0.000 1.097 119 H CA 2.118 58.111 56.048 -0.091 0.000 1.285 119 H CB 0.226 29.942 29.762 -0.076 0.000 1.368 119 H HN 0.321 nan 8.280 nan 0.000 0.495 120 D N 0.259 120.591 120.400 -0.113 0.000 2.347 120 D HA 0.008 4.647 4.640 -0.001 0.000 0.213 120 D C -0.034 176.145 176.300 -0.201 0.000 0.985 120 D CA 0.448 54.345 54.000 -0.172 0.000 0.879 120 D CB 0.039 40.756 40.800 -0.137 0.000 0.919 120 D HN 0.316 nan 8.370 nan 0.000 0.526 121 N N 0.644 119.223 118.700 -0.201 0.000 2.716 121 N HA 0.143 4.883 4.740 -0.001 0.000 0.253 121 N C -2.207 173.267 175.510 -0.060 0.000 1.170 121 N CA -1.049 51.920 53.050 -0.135 0.000 0.807 121 N CB 2.366 40.745 38.487 -0.179 0.000 1.183 121 N HN -0.127 nan 8.380 nan 0.000 0.524 122 P HA -0.087 nan 4.420 nan 0.000 0.221 122 P C 0.920 178.240 177.300 0.032 0.000 1.145 122 P CA 1.196 64.281 63.100 -0.024 0.000 0.795 122 P CB 0.551 32.233 31.700 -0.030 0.000 0.775 123 E N -1.683 118.568 120.200 0.084 0.000 2.447 123 E HA 0.058 4.408 4.350 -0.001 0.000 0.195 123 E C 0.823 177.565 176.600 0.236 0.000 1.028 123 E CA 0.077 56.576 56.400 0.165 0.000 0.876 123 E CB -0.359 29.469 29.700 0.213 0.000 0.885 123 E HN 0.254 nan 8.360 nan 0.000 0.500 124 M N 1.565 121.241 119.600 0.125 0.000 2.243 124 M HA 0.107 4.586 4.480 -0.001 0.000 0.341 124 M C -0.329 175.961 176.300 -0.016 0.000 1.130 124 M CA 0.211 55.485 55.300 -0.042 0.000 1.162 124 M CB 0.486 33.070 32.600 -0.026 0.000 1.497 124 M HN -0.362 nan 8.290 nan 0.000 0.456 125 K N 3.132 123.483 120.400 -0.083 0.000 2.444 125 K HA 0.649 4.968 4.320 -0.001 0.000 0.252 125 K C -1.754 174.883 176.600 0.063 0.000 0.993 125 K CA -0.479 55.818 56.287 0.016 0.000 0.847 125 K CB 2.226 34.760 32.500 0.056 0.000 1.340 125 K HN 0.671 nan 8.250 nan 0.000 0.446 126 F N 1.509 121.374 119.950 -0.141 0.000 2.672 126 F HA 0.434 4.960 4.527 -0.001 0.000 0.311 126 F C -1.410 174.281 175.800 -0.181 0.000 1.113 126 F CA -1.264 56.636 58.000 -0.167 0.000 0.996 126 F CB 1.012 39.995 39.000 -0.028 0.000 1.286 126 F HN 0.448 nan 8.300 nan 0.000 0.441 127 I N 1.857 122.085 120.570 -0.569 0.000 2.562 127 I HA 0.601 4.770 4.170 -0.001 0.000 0.301 127 I C -1.709 173.985 176.117 -0.706 0.000 1.003 127 I CA -0.598 60.337 61.300 -0.609 0.000 1.127 127 I CB 2.478 40.061 38.000 -0.695 0.000 1.304 127 I HN 0.699 nan 8.210 nan 0.000 0.446 128 W N 4.727 125.637 121.300 -0.650 0.000 2.957 128 W HA 0.625 5.285 4.660 -0.001 0.000 0.336 128 W C -0.714 175.727 176.519 -0.130 0.000 1.087 128 W CA -0.557 56.534 57.345 -0.422 0.000 1.235 128 W CB 2.659 31.921 29.460 -0.331 0.000 1.399 128 W HN 0.797 nan 8.180 nan 0.000 0.480 129 A N 3.541 125.985 122.820 -0.627 0.000 1.963 129 A HA 0.145 4.464 4.320 -0.001 0.000 0.207 129 A C 0.023 177.555 177.584 -0.086 0.000 1.243 129 A CA 0.563 52.474 52.037 -0.210 0.000 0.728 129 A CB -0.002 18.938 19.000 -0.101 0.000 0.895 129 A HN 0.515 nan 8.150 nan 0.000 0.467 130 E N 0.943 120.977 120.200 -0.276 0.000 2.001 130 E HA 0.313 4.662 4.350 -0.001 0.000 0.279 130 E C 0.405 177.165 176.600 0.266 0.000 1.045 130 E CA -0.284 56.127 56.400 0.018 0.000 0.833 130 E CB 0.795 30.498 29.700 0.004 0.000 1.077 130 E HN 0.269 nan 8.360 nan 0.000 0.397 131 I N 1.534 122.163 120.570 0.098 0.000 2.676 131 I HA -0.190 3.979 4.170 -0.001 0.000 0.259 131 I C 1.972 177.754 176.117 -0.558 0.000 1.194 131 I CA 0.892 62.185 61.300 -0.013 0.000 1.473 131 I CB -1.352 36.692 38.000 0.073 0.000 1.096 131 I HN 0.419 nan 8.210 nan 0.000 0.443 132 S N 1.187 116.250 115.700 -1.062 0.000 2.365 132 S HA -0.271 4.198 4.470 -0.001 0.000 0.225 132 S C 2.141 176.454 174.600 -0.478 0.000 1.039 132 S CA 1.332 58.539 58.200 -1.654 0.000 1.033 132 S CB -1.046 61.228 63.200 -1.544 0.000 0.887 132 S HN 0.361 nan 8.310 nan 0.000 0.447 133 Y N 0.613 120.934 120.300 0.035 0.000 2.242 133 Y HA 0.131 4.680 4.550 -0.001 0.000 0.291 133 Y C 2.212 178.174 175.900 0.102 0.000 1.137 133 Y CA 0.360 58.573 58.100 0.188 0.000 1.181 133 Y CB -0.912 37.759 38.460 0.351 0.000 0.989 133 Y HN 0.345 nan 8.280 nan 0.000 0.527 134 F N -0.043 119.982 119.950 0.125 0.000 2.146 134 F HA -0.138 4.388 4.527 -0.001 0.000 0.298 134 F C 2.337 177.957 175.800 -0.299 0.000 1.096 134 F CA 1.218 59.168 58.000 -0.083 0.000 1.275 134 F CB -0.421 38.524 39.000 -0.093 0.000 1.008 134 F HN -0.024 nan 8.300 nan 0.000 0.480 135 A N 0.173 122.646 122.820 -0.579 0.000 1.933 135 A HA -0.209 4.110 4.320 -0.001 0.000 0.218 135 A C 2.136 179.621 177.584 -0.165 0.000 1.175 135 A CA 1.727 53.266 52.037 -0.830 0.000 0.628 135 A CB -0.727 17.680 19.000 -0.989 0.000 0.814 135 A HN 0.387 nan 8.150 nan 0.000 0.444 136 R N -1.092 119.344 120.500 -0.107 0.000 2.096 136 R HA -0.120 4.220 4.340 -0.001 0.000 0.235 136 R C 1.709 177.948 176.300 -0.101 0.000 1.127 136 R CA 1.957 57.995 56.100 -0.102 0.000 0.968 136 R CB -0.787 29.392 30.300 -0.201 0.000 0.861 136 R HN 0.492 nan 8.270 nan 0.000 0.440 137 F N -0.514 119.343 119.950 -0.156 0.000 2.118 137 F HA -0.067 4.460 4.527 -0.001 0.000 0.293 137 F C 1.888 177.613 175.800 -0.126 0.000 1.102 137 F CA 1.374 59.345 58.000 -0.048 0.000 1.247 137 F CB -0.740 38.165 39.000 -0.158 0.000 1.017 137 F HN 0.102 nan 8.300 nan 0.000 0.475 138 Y N 0.114 120.177 120.300 -0.394 0.000 2.274 138 Y HA -0.224 4.325 4.550 -0.001 0.000 0.290 138 Y C 2.560 178.251 175.900 -0.350 0.000 1.145 138 Y CA 2.062 59.908 58.100 -0.424 0.000 1.203 138 Y CB -0.639 37.706 38.460 -0.192 0.000 0.984 138 Y HN 0.137 nan 8.280 nan 0.000 0.533 139 H N -0.864 118.188 119.070 -0.030 0.000 2.524 139 H HA -0.045 4.510 4.556 -0.001 0.000 0.282 139 H C 0.846 176.076 175.328 -0.164 0.000 1.016 139 H CA 1.299 57.303 56.048 -0.074 0.000 1.270 139 H CB 0.029 29.801 29.762 0.016 0.000 1.394 139 H HN 0.450 nan 8.280 nan 0.000 0.568 140 D N 0.071 120.388 120.400 -0.138 0.000 2.339 140 D HA 0.076 4.716 4.640 -0.001 0.000 0.217 140 D C 0.590 176.715 176.300 -0.292 0.000 1.050 140 D CA 0.067 53.966 54.000 -0.167 0.000 0.856 140 D CB 0.424 41.162 40.800 -0.104 0.000 0.922 140 D HN 0.197 nan 8.370 nan 0.000 0.518 141 L N 0.699 121.651 121.223 -0.452 0.000 2.371 141 L HA 0.339 4.678 4.340 -0.001 0.000 0.272 141 L C 1.360 178.039 176.870 -0.319 0.000 1.124 141 L CA -0.642 53.919 54.840 -0.465 0.000 0.816 141 L CB 1.030 42.716 42.059 -0.622 0.000 1.129 141 L HN -0.028 nan 8.230 nan 0.000 0.448 142 G N 0.929 109.590 108.800 -0.230 0.000 2.636 142 G HA2 0.015 3.975 3.960 -0.001 0.000 0.246 142 G HA3 0.015 3.975 3.960 -0.001 0.000 0.246 142 G C 0.665 175.464 174.900 -0.168 0.000 1.216 142 G CA -0.274 44.729 45.100 -0.161 0.000 0.854 142 G HN 0.798 nan 8.290 nan 0.000 0.572 143 E N 0.160 120.291 120.200 -0.114 0.000 2.118 143 E HA -0.195 4.154 4.350 -0.001 0.000 0.195 143 E C 2.152 178.710 176.600 -0.070 0.000 0.992 143 E CA 1.576 57.924 56.400 -0.087 0.000 0.804 143 E CB -0.173 29.501 29.700 -0.042 0.000 0.741 143 E HN 0.606 nan 8.360 nan 0.000 0.458 144 N N -0.123 118.538 118.700 -0.066 0.000 2.120 144 N HA -0.181 4.558 4.740 -0.001 0.000 0.188 144 N C 1.418 176.888 175.510 -0.066 0.000 1.024 144 N CA 1.220 54.238 53.050 -0.054 0.000 0.852 144 N CB 0.057 38.511 38.487 -0.055 0.000 1.003 144 N HN 0.046 nan 8.380 nan 0.000 0.424 145 K N 1.244 121.585 120.400 -0.099 0.000 2.155 145 K HA -0.026 4.293 4.320 -0.001 0.000 0.203 145 K C 1.969 178.528 176.600 -0.069 0.000 1.052 145 K CA 0.600 56.828 56.287 -0.098 0.000 0.948 145 K CB -0.131 32.288 32.500 -0.135 0.000 0.728 145 K HN 0.299 nan 8.250 nan 0.000 0.448 146 K N 0.893 121.209 120.400 -0.140 0.000 2.032 146 K HA -0.078 4.241 4.320 -0.001 0.000 0.209 146 K C 2.278 178.949 176.600 0.119 0.000 1.048 146 K CA 1.094 57.323 56.287 -0.097 0.000 0.927 146 K CB -0.234 32.094 32.500 -0.286 0.000 0.712 146 K HN 0.040 nan 8.250 nan 0.000 0.441 147 L N 1.136 122.395 121.223 0.061 0.000 2.046 147 L HA -0.242 4.097 4.340 -0.001 0.000 0.208 147 L C 2.601 179.532 176.870 0.102 0.000 1.077 147 L CA 1.390 56.283 54.840 0.088 0.000 0.747 147 L CB -0.459 41.629 42.059 0.049 0.000 0.896 147 L HN 0.271 nan 8.230 nan 0.000 0.432 148 Q N -0.895 118.944 119.800 0.065 0.000 2.084 148 Q HA -0.272 4.068 4.340 -0.001 0.000 0.202 148 Q C 2.210 178.294 176.000 0.140 0.000 0.978 148 Q CA 1.770 57.617 55.803 0.074 0.000 0.844 148 Q CB -0.208 28.502 28.738 -0.047 0.000 0.898 148 Q HN 0.368 nan 8.270 nan 0.000 0.426 149 M N 1.129 120.841 119.600 0.186 0.000 2.086 149 M HA -0.153 4.327 4.480 -0.001 0.000 0.261 149 M C 1.601 178.080 176.300 0.299 0.000 1.067 149 M CA 1.764 57.240 55.300 0.293 0.000 1.116 149 M CB 0.043 32.915 32.600 0.454 0.000 1.348 149 M HN -0.095 nan 8.290 nan 0.000 0.407 150 K N -1.005 119.568 120.400 0.290 0.000 2.103 150 K HA -0.143 4.177 4.320 -0.001 0.000 0.207 150 K C 2.281 178.977 176.600 0.161 0.000 1.048 150 K CA 1.585 58.010 56.287 0.231 0.000 0.930 150 K CB -0.457 32.167 32.500 0.205 0.000 0.716 150 K HN 0.382 nan 8.250 nan 0.000 0.444 151 S N 1.465 117.251 115.700 0.143 0.000 2.356 151 S HA -0.119 4.350 4.470 -0.001 0.000 0.223 151 S C 1.956 176.614 174.600 0.097 0.000 1.032 151 S CA 1.400 59.666 58.200 0.109 0.000 1.005 151 S CB -0.267 63.000 63.200 0.111 0.000 0.867 151 S HN 0.398 nan 8.310 nan 0.000 0.449 152 I N -0.775 119.863 120.570 0.112 0.000 2.676 152 I HA 0.022 4.192 4.170 -0.001 0.000 0.259 152 I C 1.845 177.997 176.117 0.058 0.000 1.194 152 I CA 0.764 62.111 61.300 0.079 0.000 1.473 152 I CB -0.375 37.672 38.000 0.079 0.000 1.096 152 I HN 0.101 nan 8.210 nan 0.000 0.443 153 V N 1.513 121.480 119.914 0.090 0.000 2.346 153 V HA -0.188 3.931 4.120 -0.001 0.000 0.244 153 V C 2.705 178.835 176.094 0.060 0.000 1.037 153 V CA 2.004 64.346 62.300 0.070 0.000 1.029 153 V CB -0.711 31.213 31.823 0.168 0.000 0.663 153 V HN 0.426 nan 8.190 nan 0.000 0.454 154 K N 1.459 121.902 120.400 0.072 0.000 2.097 154 K HA -0.216 4.103 4.320 -0.001 0.000 0.206 154 K C 1.750 178.368 176.600 0.031 0.000 1.049 154 K CA 1.803 58.120 56.287 0.050 0.000 0.933 154 K CB -0.194 32.338 32.500 0.054 0.000 0.717 154 K HN 0.665 nan 8.250 nan 0.000 0.442 155 N N -0.599 118.119 118.700 0.030 0.000 2.398 155 N HA 0.003 4.742 4.740 -0.001 0.000 0.188 155 N C 0.808 176.323 175.510 0.009 0.000 1.122 155 N CA 1.043 54.103 53.050 0.018 0.000 0.866 155 N CB 0.460 38.957 38.487 0.018 0.000 0.970 155 N HN 0.314 nan 8.380 nan 0.000 0.462 156 G N -0.234 108.568 108.800 0.003 0.000 2.157 156 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.248 156 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.248 156 G C 0.772 175.661 174.900 -0.018 0.000 0.979 156 G CA 0.483 45.575 45.100 -0.014 0.000 0.650 156 G HN 0.460 nan 8.290 nan 0.000 0.529 157 Q N -1.308 118.489 119.800 -0.006 0.000 2.096 157 Q HA 0.233 4.572 4.340 -0.001 0.000 0.197 157 Q C 1.192 177.187 176.000 -0.008 0.000 0.964 157 Q CA 1.001 56.806 55.803 0.003 0.000 0.838 157 Q CB 0.221 28.965 28.738 0.012 0.000 0.906 157 Q HN 0.573 nan 8.270 nan 0.000 0.444 158 L N 1.271 122.471 121.223 -0.039 0.000 2.272 158 L HA 0.285 4.624 4.340 -0.001 0.000 0.289 158 L C -0.944 175.757 176.870 -0.281 0.000 1.032 158 L CA -0.041 54.730 54.840 -0.116 0.000 0.810 158 L CB 1.433 43.430 42.059 -0.102 0.000 1.205 158 L HN -0.072 nan 8.230 nan 0.000 0.422 159 E N 4.245 124.239 120.200 -0.344 0.000 2.199 159 E HA 0.355 4.704 4.350 -0.001 0.000 0.265 159 E C -1.462 174.879 176.600 -0.433 0.000 0.882 159 E CA -0.742 55.465 56.400 -0.321 0.000 0.759 159 E CB 0.973 30.559 29.700 -0.189 0.000 1.148 159 E HN 0.491 nan 8.360 nan 0.000 0.412 160 F N 3.228 123.133 119.950 -0.075 0.000 2.427 160 F HA 0.212 4.738 4.527 -0.001 0.000 0.352 160 F C 0.303 176.074 175.800 -0.049 0.000 1.100 160 F CA -0.481 57.486 58.000 -0.054 0.000 1.191 160 F CB 1.180 40.157 39.000 -0.038 0.000 1.128 160 F HN 0.184 nan 8.300 nan 0.000 0.533 161 V N 0.078 120.056 119.914 0.106 0.000 2.495 161 V HA 0.648 4.768 4.120 -0.001 0.000 0.298 161 V C 0.253 176.474 176.094 0.212 0.000 1.031 161 V CA -0.512 61.845 62.300 0.095 0.000 0.871 161 V CB 0.908 32.675 31.823 -0.092 0.000 0.988 161 V HN 0.979 nan 8.190 nan 0.000 0.432 162 T N 3.223 117.978 114.554 0.334 0.000 13.132 162 T HA -0.308 4.041 4.350 -0.001 0.000 0.419 162 T C 1.729 176.657 174.700 0.380 0.000 1.442 162 T CA 2.877 65.218 62.100 0.402 0.000 2.366 162 T CB -1.691 67.314 68.868 0.229 0.000 2.813 162 T HN 2.791 nan 8.240 nan 0.000 0.650 163 G N 1.933 110.894 108.800 0.269 0.000 2.137 163 G HA2 0.117 4.077 3.960 -0.001 0.000 0.237 163 G HA3 0.117 4.077 3.960 -0.001 0.000 0.237 163 G C 0.296 175.337 174.900 0.236 0.000 1.002 163 G CA 0.575 45.809 45.100 0.224 0.000 0.702 163 G HN 1.556 nan 8.290 nan 0.000 0.515 164 G N -1.652 107.287 108.800 0.231 0.000 2.572 164 G HA2 0.369 4.328 3.960 -0.001 0.000 0.261 164 G HA3 0.369 4.328 3.960 -0.001 0.000 0.261 164 G C 0.969 176.049 174.900 0.300 0.000 1.197 164 G CA 0.150 45.400 45.100 0.249 0.000 0.870 164 G HN 0.346 nan 8.290 nan 0.000 0.548 165 W N 0.425 121.775 121.300 0.082 0.000 2.342 165 W HA -0.029 4.630 4.660 -0.001 0.000 0.297 165 W C 0.678 177.234 176.519 0.061 0.000 1.213 165 W CA 1.848 59.228 57.345 0.059 0.000 1.251 165 W CB 0.257 29.735 29.460 0.030 0.000 1.136 165 W HN 0.404 nan 8.180 nan 0.000 0.526 166 V N -2.683 117.359 119.914 0.215 0.000 3.105 166 V HA 0.503 4.622 4.120 -0.001 0.000 0.311 166 V C -0.462 175.725 176.094 0.155 0.000 1.287 166 V CA -1.288 61.084 62.300 0.120 0.000 1.066 166 V CB 1.738 33.655 31.823 0.157 0.000 1.105 166 V HN -0.059 nan 8.190 nan 0.000 0.462 167 M N 3.908 123.630 119.600 0.203 0.000 2.103 167 M HA 0.523 5.002 4.480 -0.001 0.000 0.350 167 M C -2.720 173.745 176.300 0.275 0.000 1.100 167 M CA -1.886 53.544 55.300 0.218 0.000 1.042 167 M CB 1.450 34.198 32.600 0.247 0.000 1.368 167 M HN 0.637 nan 8.290 nan 0.000 0.404 168 P HA 0.130 nan 4.420 nan 0.000 0.277 168 P C -0.928 176.388 177.300 0.026 0.000 1.240 168 P CA -0.197 62.961 63.100 0.096 0.000 0.798 168 P CB 0.568 32.310 31.700 0.071 0.000 0.979 169 D N 0.787 121.165 120.400 -0.035 0.000 2.515 169 D HA -0.101 4.538 4.640 -0.001 0.000 0.232 169 D C 0.744 177.064 176.300 0.034 0.000 1.157 169 D CA 0.815 54.781 54.000 -0.056 0.000 0.871 169 D CB 0.439 41.222 40.800 -0.030 0.000 1.200 169 D HN 0.314 nan 8.370 nan 0.000 0.466 170 E N 1.481 121.744 120.200 0.106 0.000 2.511 170 E HA 0.176 4.525 4.350 -0.001 0.000 0.209 170 E C 0.982 177.764 176.600 0.304 0.000 0.986 170 E CA 0.075 56.603 56.400 0.213 0.000 0.974 170 E CB 0.616 30.457 29.700 0.237 0.000 1.030 170 E HN 0.479 nan 8.360 nan 0.000 0.490 171 A N 1.542 124.495 122.820 0.221 0.000 1.887 171 A HA 0.006 4.325 4.320 -0.001 0.000 0.210 171 A C 1.833 179.308 177.584 -0.182 0.000 1.221 171 A CA 0.663 52.590 52.037 -0.185 0.000 0.635 171 A CB 0.006 18.879 19.000 -0.211 0.000 0.881 171 A HN 0.038 nan 8.150 nan 0.000 0.456 172 N N 0.591 119.278 118.700 -0.021 0.000 2.356 172 N HA 0.011 4.750 4.740 -0.001 0.000 0.178 172 N C 0.437 175.942 175.510 -0.007 0.000 1.075 172 N CA 0.753 53.785 53.050 -0.029 0.000 0.889 172 N CB 0.051 38.569 38.487 0.052 0.000 0.999 172 N HN 0.499 nan 8.380 nan 0.000 0.464 173 S N 0.812 116.518 115.700 0.011 0.000 2.549 173 S HA 0.032 4.501 4.470 -0.001 0.000 0.283 173 S C 0.035 174.653 174.600 0.030 0.000 1.320 173 S CA -0.554 57.663 58.200 0.029 0.000 1.058 173 S CB 1.093 64.313 63.200 0.034 0.000 0.882 173 S HN 0.202 nan 8.310 nan 0.000 0.498 174 H N 3.491 122.543 119.070 -0.029 0.000 2.582 174 H HA 0.035 4.591 4.556 -0.001 0.000 0.345 174 H C 1.285 176.589 175.328 -0.041 0.000 1.104 174 H CA -0.207 55.809 56.048 -0.053 0.000 1.390 174 H CB 0.521 30.200 29.762 -0.138 0.000 1.461 174 H HN 1.031 nan 8.280 nan 0.000 0.551 175 W N 5.827 127.045 121.300 -0.137 0.000 2.331 175 W HA -0.190 4.469 4.660 -0.001 0.000 0.291 175 W C 1.054 177.646 176.519 0.122 0.000 1.214 175 W CA 0.502 57.839 57.345 -0.013 0.000 1.228 175 W CB -0.498 28.892 29.460 -0.118 0.000 1.135 175 W HN 0.536 nan 8.180 nan 0.000 0.537 176 R N 0.718 120.855 120.500 -0.605 0.000 2.120 176 R HA -0.121 4.219 4.340 -0.001 0.000 0.234 176 R C 1.997 178.131 176.300 -0.276 0.000 1.123 176 R CA 1.810 57.440 56.100 -0.785 0.000 0.975 176 R CB -0.359 29.415 30.300 -0.876 0.000 0.866 176 R HN 0.153 nan 8.270 nan 0.000 0.446 177 N N -0.286 118.338 118.700 -0.126 0.000 2.376 177 N HA -0.046 4.694 4.740 -0.001 0.000 0.177 177 N C 1.721 177.237 175.510 0.010 0.000 1.024 177 N CA 0.637 53.656 53.050 -0.052 0.000 0.893 177 N CB 0.031 38.508 38.487 -0.017 0.000 0.980 177 N HN -0.018 nan 8.380 nan 0.000 0.439 178 V N 1.577 121.521 119.914 0.050 0.000 2.287 178 V HA -0.194 3.925 4.120 -0.001 0.000 0.248 178 V C 2.360 178.501 176.094 0.077 0.000 1.053 178 V CA 1.185 63.532 62.300 0.079 0.000 1.027 178 V CB -0.526 31.363 31.823 0.111 0.000 0.646 178 V HN 0.195 nan 8.190 nan 0.000 0.447 179 L N -0.369 120.908 121.223 0.091 0.000 2.046 179 L HA -0.124 4.215 4.340 -0.001 0.000 0.208 179 L C 2.185 179.065 176.870 0.017 0.000 1.077 179 L CA 1.808 56.693 54.840 0.075 0.000 0.747 179 L CB -0.694 41.441 42.059 0.128 0.000 0.896 179 L HN 0.283 nan 8.230 nan 0.000 0.432 180 L N -0.091 121.121 121.223 -0.019 0.000 2.012 180 L HA -0.260 4.079 4.340 -0.001 0.000 0.210 180 L C 2.602 179.463 176.870 -0.016 0.000 1.073 180 L CA 2.393 57.211 54.840 -0.037 0.000 0.748 180 L CB -0.805 41.214 42.059 -0.066 0.000 0.891 180 L HN 0.685 nan 8.230 nan 0.000 0.431 181 Q N -1.043 118.771 119.800 0.024 0.000 2.123 181 Q HA -0.194 4.145 4.340 -0.001 0.000 0.199 181 Q C 2.029 178.114 176.000 0.143 0.000 0.966 181 Q CA 2.036 57.890 55.803 0.084 0.000 0.845 181 Q CB -1.186 27.640 28.738 0.146 0.000 0.907 181 Q HN 0.463 nan 8.270 nan 0.000 0.439 182 L N 0.838 122.130 121.223 0.114 0.000 2.046 182 L HA -0.097 4.242 4.340 -0.001 0.000 0.208 182 L C 1.916 178.866 176.870 0.133 0.000 1.077 182 L CA 2.442 57.362 54.840 0.134 0.000 0.747 182 L CB -0.980 41.136 42.059 0.094 0.000 0.896 182 L HN 0.343 nan 8.230 nan 0.000 0.432 183 T N -1.088 113.511 114.554 0.075 0.000 2.821 183 T HA -0.161 4.188 4.350 -0.001 0.000 0.267 183 T C 1.714 176.464 174.700 0.083 0.000 1.046 183 T CA 1.346 63.482 62.100 0.060 0.000 1.139 183 T CB -0.125 68.745 68.868 0.004 0.000 0.871 183 T HN 0.324 nan 8.240 nan 0.000 0.454 184 E N 1.082 121.307 120.200 0.041 0.000 2.047 184 E HA -0.023 4.326 4.350 -0.001 0.000 0.191 184 E C 2.352 179.072 176.600 0.200 0.000 0.987 184 E CA 1.487 57.861 56.400 -0.042 0.000 0.799 184 E CB -0.848 28.631 29.700 -0.368 0.000 0.752 184 E HN 0.434 nan 8.360 nan 0.000 0.449 185 G N -0.043 108.980 108.800 0.372 0.000 2.402 185 G HA2 -0.258 3.701 3.960 -0.001 0.000 0.216 185 G HA3 -0.258 3.701 3.960 -0.001 0.000 0.216 185 G C 1.493 176.615 174.900 0.369 0.000 1.162 185 G CA 0.652 46.061 45.100 0.515 0.000 0.777 185 G HN 0.258 nan 8.290 nan 0.000 0.539 186 Q N -0.141 119.810 119.800 0.252 0.000 2.172 186 Q HA -0.058 4.281 4.340 -0.001 0.000 0.200 186 Q C 2.791 178.886 176.000 0.159 0.000 0.964 186 Q CA 1.427 57.337 55.803 0.179 0.000 0.855 186 Q CB -0.207 28.618 28.738 0.145 0.000 0.918 186 Q HN 0.415 nan 8.270 nan 0.000 0.444 187 T N 0.184 114.844 114.554 0.177 0.000 2.777 187 T HA -0.184 4.165 4.350 -0.001 0.000 0.266 187 T C 1.099 175.897 174.700 0.162 0.000 1.040 187 T CA 1.051 63.231 62.100 0.133 0.000 1.141 187 T CB -0.383 68.557 68.868 0.121 0.000 0.868 187 T HN 0.466 nan 8.240 nan 0.000 0.444 188 W N 1.641 123.042 121.300 0.168 0.000 2.335 188 W HA -0.083 4.576 4.660 -0.001 0.000 0.311 188 W C 1.827 178.467 176.519 0.202 0.000 1.213 188 W CA 1.031 58.562 57.345 0.310 0.000 1.274 188 W CB -0.471 29.246 29.460 0.428 0.000 1.148 188 W HN 0.145 nan 8.180 nan 0.000 0.498 189 L N 0.537 121.966 121.223 0.343 0.000 2.046 189 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 189 L C 2.483 179.282 176.870 -0.119 0.000 1.077 189 L CA 1.712 56.578 54.840 0.043 0.000 0.747 189 L CB -0.977 41.043 42.059 -0.066 0.000 0.896 189 L HN -0.067 nan 8.230 nan 0.000 0.432 190 K N 0.396 120.748 120.400 -0.081 0.000 2.026 190 K HA -0.241 4.079 4.320 -0.001 0.000 0.208 190 K C 2.135 178.598 176.600 -0.228 0.000 1.048 190 K CA 1.615 57.831 56.287 -0.118 0.000 0.929 190 K CB -0.239 32.218 32.500 -0.071 0.000 0.713 190 K HN 0.227 nan 8.250 nan 0.000 0.439 191 Q N -1.494 118.095 119.800 -0.352 0.000 2.084 191 Q HA -0.118 4.221 4.340 -0.001 0.000 0.202 191 Q C 1.330 176.843 176.000 -0.812 0.000 0.978 191 Q CA 1.830 57.258 55.803 -0.625 0.000 0.844 191 Q CB -0.020 28.204 28.738 -0.856 0.000 0.898 191 Q HN 0.363 nan 8.270 nan 0.000 0.426 192 F N -1.597 117.995 119.950 -0.596 0.000 2.622 192 F HA 0.142 4.668 4.527 -0.001 0.000 0.288 192 F C 1.530 177.042 175.800 -0.478 0.000 1.120 192 F CA 0.207 57.801 58.000 -0.676 0.000 1.423 192 F CB 0.464 38.624 39.000 -1.400 0.000 1.127 192 F HN 0.095 nan 8.300 nan 0.000 0.588 193 M N -0.978 118.471 119.600 -0.253 0.000 2.306 193 M HA 0.241 4.720 4.480 -0.001 0.000 0.292 193 M C 0.286 176.561 176.300 -0.041 0.000 1.018 193 M CA 0.127 55.375 55.300 -0.086 0.000 1.007 193 M CB -1.100 31.473 32.600 -0.045 0.000 1.510 193 M HN 0.085 nan 8.290 nan 0.000 0.537 194 N N 2.025 120.669 118.700 -0.093 0.000 2.727 194 N HA -0.134 4.605 4.740 -0.001 0.000 0.249 194 N C -0.949 174.542 175.510 -0.031 0.000 1.048 194 N CA 0.744 53.755 53.050 -0.065 0.000 0.714 194 N CB -0.905 37.557 38.487 -0.042 0.000 0.959 194 N HN 0.389 nan 8.380 nan 0.000 0.544 195 V N -3.903 115.993 119.914 -0.031 0.000 3.049 195 V HA 0.870 4.990 4.120 -0.001 0.000 0.309 195 V C 0.043 176.121 176.094 -0.027 0.000 1.148 195 V CA -0.498 61.799 62.300 -0.005 0.000 0.990 195 V CB 2.360 34.225 31.823 0.071 0.000 1.039 195 V HN 0.049 nan 8.190 nan 0.000 0.430 196 T N 3.983 118.512 114.554 -0.042 0.000 2.930 196 T HA 0.569 4.919 4.350 -0.001 0.000 0.313 196 T C -2.738 171.880 174.700 -0.136 0.000 1.019 196 T CA -0.784 61.271 62.100 -0.074 0.000 1.004 196 T CB 1.345 70.159 68.868 -0.090 0.000 0.987 196 T HN 0.767 nan 8.240 nan 0.000 0.456 197 P HA 0.151 nan 4.420 nan 0.000 0.266 197 P C 0.834 177.749 177.300 -0.641 0.000 1.195 197 P CA -0.109 62.873 63.100 -0.196 0.000 0.768 197 P CB 0.514 32.215 31.700 0.003 0.000 0.838 198 T N -1.671 112.564 114.554 -0.531 0.000 3.043 198 T HA 0.539 4.889 4.350 -0.001 0.000 0.272 198 T C 0.327 174.854 174.700 -0.289 0.000 0.990 198 T CA -0.287 61.386 62.100 -0.712 0.000 0.897 198 T CB 0.142 68.798 68.868 -0.354 0.000 1.111 198 T HN 0.411 nan 8.240 nan 0.000 0.529 199 A N 0.863 123.670 122.820 -0.023 0.000 2.343 199 A HA 0.801 5.121 4.320 -0.001 0.000 0.316 199 A C -0.154 177.698 177.584 0.446 0.000 1.104 199 A CA -0.691 51.479 52.037 0.221 0.000 0.768 199 A CB 1.801 20.943 19.000 0.237 0.000 1.213 199 A HN 0.260 nan 8.150 nan 0.000 0.456 200 S N 2.132 118.077 115.700 0.408 0.000 2.549 200 S HA 0.693 5.162 4.470 -0.001 0.000 0.297 200 S C -1.136 173.648 174.600 0.307 0.000 1.115 200 S CA -0.434 57.944 58.200 0.296 0.000 1.059 200 S CB 0.785 63.977 63.200 -0.014 0.000 1.046 200 S HN 0.825 nan 8.310 nan 0.000 0.506 201 W N 4.420 125.729 121.300 0.014 0.000 2.587 201 W HA 0.629 5.289 4.660 -0.001 0.000 0.324 201 W C -1.568 174.890 176.519 -0.103 0.000 1.008 201 W CA -0.817 56.488 57.345 -0.066 0.000 1.265 201 W CB 1.104 30.500 29.460 -0.108 0.000 1.328 201 W HN 0.784 nan 8.180 nan 0.000 0.432 202 A N 7.931 130.576 122.820 -0.291 0.000 2.763 202 A HA 0.309 4.628 4.320 -0.001 0.000 0.325 202 A C 0.301 177.609 177.584 -0.461 0.000 1.209 202 A CA -0.489 51.385 52.037 -0.272 0.000 0.764 202 A CB -0.226 18.741 19.000 -0.056 0.000 1.120 202 A HN 0.704 nan 8.150 nan 0.000 0.463 203 I N -2.404 117.707 120.570 -0.765 0.000 3.427 203 I HA 0.252 4.421 4.170 -0.001 0.000 0.288 203 I C 0.872 176.634 176.117 -0.591 0.000 1.249 203 I CA 0.853 61.649 61.300 -0.840 0.000 1.421 203 I CB 0.373 37.564 38.000 -1.348 0.000 1.086 203 I HN 0.345 nan 8.210 nan 0.000 0.448 204 D N 0.468 120.474 120.400 -0.656 0.000 2.479 204 D HA 0.244 4.883 4.640 -0.001 0.000 0.221 204 D C -2.140 173.702 176.300 -0.763 0.000 1.104 204 D CA -0.768 52.858 54.000 -0.623 0.000 0.849 204 D CB -0.014 40.339 40.800 -0.744 0.000 1.072 204 D HN 0.187 nan 8.370 nan 0.000 0.502 205 P HA 0.031 nan 4.420 nan 0.000 0.267 205 P C -0.505 176.301 177.300 -0.824 0.000 1.200 205 P CA 0.074 62.617 63.100 -0.927 0.000 0.772 205 P CB 0.178 31.519 31.700 -0.597 0.000 0.855 206 F N 2.088 121.802 119.950 -0.394 0.000 2.541 206 F HA 0.543 5.069 4.527 -0.001 0.000 0.351 206 F C 1.419 177.139 175.800 -0.134 0.000 1.209 206 F CA -0.566 57.158 58.000 -0.461 0.000 1.277 206 F CB -1.071 37.810 39.000 -0.197 0.000 1.632 206 F HN 0.500 nan 8.300 nan 0.000 0.619 207 G N 1.153 109.671 108.800 -0.470 0.000 2.629 207 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.686 207 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.686 207 G C -1.505 172.994 174.900 -0.668 0.000 1.232 207 G CA -1.171 43.747 45.100 -0.303 0.000 0.803 207 G HN 0.583 nan 8.290 nan 0.000 0.638 208 H N -0.523 118.227 119.070 -0.533 0.000 2.717 208 H HA 0.758 5.313 4.556 -0.001 0.000 0.366 208 H C -0.371 174.832 175.328 -0.207 0.000 1.132 208 H CA 0.020 55.949 56.048 -0.199 0.000 1.180 208 H CB 2.059 31.872 29.762 0.084 0.000 1.678 208 H HN 0.671 nan 8.280 nan 0.000 0.537 209 S N 2.309 118.147 115.700 0.230 0.000 2.501 209 S HA 0.263 4.732 4.470 -0.001 0.000 0.301 209 S C -1.797 172.824 174.600 0.034 0.000 1.096 209 S CA -1.794 56.553 58.200 0.245 0.000 1.063 209 S CB 1.305 64.688 63.200 0.305 0.000 1.042 209 S HN 0.444 nan 8.310 nan 0.000 0.494 210 P HA 0.018 nan 4.420 nan 0.000 0.234 210 P C 1.078 178.121 177.300 -0.429 0.000 1.167 210 P CA 0.718 63.417 63.100 -0.668 0.000 0.763 210 P CB -0.259 31.202 31.700 -0.399 0.000 0.835 211 T N -0.199 114.239 114.554 -0.193 0.000 2.881 211 T HA -0.095 4.254 4.350 -0.001 0.000 0.270 211 T C 1.815 176.467 174.700 -0.080 0.000 1.068 211 T CA 1.186 63.215 62.100 -0.119 0.000 1.131 211 T CB -0.385 68.453 68.868 -0.050 0.000 0.871 211 T HN -0.000 nan 8.240 nan 0.000 0.479 212 M N 0.949 120.459 119.600 -0.150 0.000 2.059 212 M HA 0.004 4.484 4.480 -0.001 0.000 0.259 212 M C -0.618 175.544 176.300 -0.230 0.000 1.072 212 M CA 1.259 56.469 55.300 -0.149 0.000 1.117 212 M CB -2.539 29.998 32.600 -0.104 0.000 1.320 212 M HN 0.123 nan 8.290 nan 0.000 0.408 213 P HA -0.201 nan 4.420 nan 0.000 0.218 213 P C 1.684 178.859 177.300 -0.209 0.000 1.148 213 P CA 1.444 64.351 63.100 -0.322 0.000 0.822 213 P CB -0.451 30.962 31.700 -0.479 0.000 0.784 214 Y N 1.068 121.181 120.300 -0.311 0.000 2.097 214 Y HA -0.217 4.332 4.550 -0.001 0.000 0.282 214 Y C 2.411 178.228 175.900 -0.138 0.000 1.152 214 Y CA 1.739 59.719 58.100 -0.201 0.000 1.136 214 Y CB -0.975 37.380 38.460 -0.174 0.000 0.975 214 Y HN -0.231 nan 8.280 nan 0.000 0.498 215 I N -0.456 120.129 120.570 0.026 0.000 2.252 215 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 215 I C 2.273 178.323 176.117 -0.112 0.000 1.102 215 I CA 1.177 62.463 61.300 -0.023 0.000 1.385 215 I CB -0.413 37.636 38.000 0.081 0.000 1.064 215 I HN 0.265 nan 8.210 nan 0.000 0.414 216 L N 0.088 121.196 121.223 -0.192 0.000 2.046 216 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 216 L C 2.691 179.548 176.870 -0.021 0.000 1.077 216 L CA 1.229 55.895 54.840 -0.290 0.000 0.747 216 L CB -0.724 40.967 42.059 -0.614 0.000 0.896 216 L HN 0.341 nan 8.230 nan 0.000 0.432 217 Q N 1.097 120.848 119.800 -0.083 0.000 2.224 217 Q HA -0.190 4.149 4.340 -0.001 0.000 0.203 217 Q C 1.707 177.667 176.000 -0.066 0.000 0.970 217 Q CA 1.463 57.238 55.803 -0.046 0.000 0.865 217 Q CB 0.125 28.805 28.738 -0.098 0.000 0.922 217 Q HN 0.468 nan 8.270 nan 0.000 0.445 218 K N -0.477 119.843 120.400 -0.133 0.000 2.444 218 K HA 0.105 4.424 4.320 -0.001 0.000 0.193 218 K C 0.735 177.301 176.600 -0.057 0.000 1.024 218 K CA 0.182 56.386 56.287 -0.138 0.000 1.077 218 K CB 0.501 32.848 32.500 -0.256 0.000 0.833 218 K HN -0.064 nan 8.250 nan 0.000 0.517 219 S N -0.256 115.465 115.700 0.035 0.000 2.664 219 S HA 0.201 4.670 4.470 -0.001 0.000 0.245 219 S C 0.764 175.459 174.600 0.158 0.000 1.019 219 S CA 0.121 58.387 58.200 0.110 0.000 0.996 219 S CB 1.290 64.602 63.200 0.185 0.000 0.878 219 S HN 0.519 nan 8.310 nan 0.000 0.493 220 G N 1.199 110.049 108.800 0.082 0.000 2.175 220 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.244 220 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.244 220 G C -0.023 174.847 174.900 -0.050 0.000 0.982 220 G CA -0.476 44.614 45.100 -0.017 0.000 0.641 220 G HN 0.431 nan 8.290 nan 0.000 0.527 221 F N 0.388 120.296 119.950 -0.069 0.000 2.450 221 F HA 0.563 5.089 4.527 -0.001 0.000 0.339 221 F C 1.602 177.342 175.800 -0.100 0.000 1.146 221 F CA 0.095 58.049 58.000 -0.076 0.000 1.267 221 F CB 0.906 39.864 39.000 -0.069 0.000 1.178 221 F HN -0.184 nan 8.300 nan 0.000 0.585 222 K N 0.898 121.313 120.400 0.025 0.000 2.425 222 K HA 0.247 4.567 4.320 -0.001 0.000 0.201 222 K C -0.616 175.921 176.600 -0.105 0.000 1.128 222 K CA 0.073 56.318 56.287 -0.072 0.000 1.000 222 K CB 0.214 32.623 32.500 -0.152 0.000 0.961 222 K HN 0.606 nan 8.250 nan 0.000 0.555 223 N N 0.374 118.994 118.700 -0.134 0.000 2.484 223 N HA 0.449 5.189 4.740 -0.001 0.000 0.269 223 N C -1.115 174.236 175.510 -0.265 0.000 1.237 223 N CA -0.646 52.157 53.050 -0.412 0.000 0.838 223 N CB 2.251 39.931 38.487 -1.345 0.000 1.593 223 N HN -0.093 nan 8.380 nan 0.000 0.485 224 M N -0.171 119.287 119.600 -0.237 0.000 2.569 224 M HA 0.640 5.119 4.480 -0.001 0.000 0.279 224 M C -2.050 174.308 176.300 0.097 0.000 1.253 224 M CA -0.956 54.330 55.300 -0.023 0.000 0.867 224 M CB 2.503 35.079 32.600 -0.039 0.000 1.727 224 M HN 0.504 nan 8.290 nan 0.000 0.467 225 L N 3.609 124.907 121.223 0.125 0.000 2.386 225 L HA 0.865 5.204 4.340 -0.001 0.000 0.271 225 L C -1.464 175.279 176.870 -0.212 0.000 0.993 225 L CA -0.738 54.135 54.840 0.054 0.000 0.819 225 L CB 1.974 44.115 42.059 0.137 0.000 1.294 225 L HN 0.950 nan 8.230 nan 0.000 0.414 226 I N 0.968 121.325 120.570 -0.354 0.000 3.042 226 I HA 0.622 4.791 4.170 -0.001 0.000 0.310 226 I C -0.658 175.150 176.117 -0.514 0.000 1.117 226 I CA -0.567 60.332 61.300 -0.669 0.000 1.003 226 I CB 2.240 39.560 38.000 -1.133 0.000 1.228 226 I HN 0.738 nan 8.210 nan 0.000 0.443 227 Q N 1.928 121.485 119.800 -0.405 0.000 2.546 227 Q HA 0.336 4.675 4.340 -0.001 0.000 0.226 227 Q C 0.032 175.931 176.000 -0.168 0.000 0.769 227 Q CA 0.385 56.041 55.803 -0.246 0.000 0.954 227 Q CB 0.624 29.212 28.738 -0.249 0.000 1.319 227 Q HN 0.656 nan 8.270 nan 0.000 0.534 228 R N 2.043 122.465 120.500 -0.130 0.000 2.593 228 R HA 0.342 4.681 4.340 -0.001 0.000 0.282 228 R C -0.723 175.314 176.300 -0.438 0.000 1.300 228 R CA 0.521 56.283 56.100 -0.564 0.000 1.221 228 R CB 0.326 29.934 30.300 -1.153 0.000 1.157 228 R HN 0.392 nan 8.270 nan 0.000 0.555 229 T N -2.423 112.111 114.554 -0.033 0.000 2.908 229 T HA 0.143 4.493 4.350 -0.001 0.000 0.290 229 T C 0.034 174.997 174.700 0.439 0.000 1.034 229 T CA -0.876 61.332 62.100 0.181 0.000 1.010 229 T CB 1.775 70.584 68.868 -0.099 0.000 1.068 229 T HN 0.414 nan 8.240 nan 0.000 0.481 230 H N 1.986 121.278 119.070 0.371 0.000 3.064 230 H HA -0.049 4.507 4.556 -0.001 0.000 0.329 230 H C 1.066 176.458 175.328 0.108 0.000 1.020 230 H CA 0.597 56.758 56.048 0.189 0.000 1.402 230 H CB 0.352 30.252 29.762 0.229 0.000 1.379 230 H HN 0.935 nan 8.280 nan 0.000 0.594 231 Y N 2.333 122.716 120.300 0.138 0.000 2.256 231 Y HA -0.180 4.369 4.550 -0.001 0.000 0.288 231 Y C 2.167 178.235 175.900 0.280 0.000 1.155 231 Y CA 0.999 59.225 58.100 0.209 0.000 1.203 231 Y CB -0.633 37.888 38.460 0.102 0.000 0.980 231 Y HN 0.289 nan 8.280 nan 0.000 0.530 232 S N 0.289 116.040 115.700 0.085 0.000 2.406 232 S HA -0.108 4.362 4.470 -0.001 0.000 0.228 232 S C 2.075 176.603 174.600 -0.120 0.000 1.020 232 S CA 1.118 59.251 58.200 -0.110 0.000 0.965 232 S CB -0.524 62.375 63.200 -0.502 0.000 0.798 232 S HN 0.372 nan 8.310 nan 0.000 0.488 233 V N 2.041 121.951 119.914 -0.007 0.000 2.358 233 V HA -0.165 3.954 4.120 -0.001 0.000 0.246 233 V C 2.229 178.366 176.094 0.071 0.000 1.047 233 V CA 1.572 63.897 62.300 0.041 0.000 1.035 233 V CB -0.515 31.437 31.823 0.215 0.000 0.658 233 V HN 0.411 nan 8.190 nan 0.000 0.452 234 K N 0.164 120.647 120.400 0.139 0.000 2.063 234 K HA -0.255 4.064 4.320 -0.001 0.000 0.208 234 K C 2.276 179.011 176.600 0.224 0.000 1.048 234 K CA 1.837 58.222 56.287 0.163 0.000 0.928 234 K CB -0.242 32.411 32.500 0.256 0.000 0.713 234 K HN 0.351 nan 8.250 nan 0.000 0.442 235 K N 1.133 121.663 120.400 0.217 0.000 2.057 235 K HA -0.224 4.096 4.320 -0.001 0.000 0.207 235 K C 2.130 178.826 176.600 0.160 0.000 1.049 235 K CA 1.669 58.091 56.287 0.225 0.000 0.931 235 K CB 0.067 32.623 32.500 0.095 0.000 0.714 235 K HN -0.024 nan 8.250 nan 0.000 0.440 236 E N 0.855 121.072 120.200 0.028 0.000 2.047 236 E HA -0.134 4.215 4.350 -0.001 0.000 0.191 236 E C 1.926 178.522 176.600 -0.007 0.000 0.987 236 E CA 1.324 57.698 56.400 -0.042 0.000 0.799 236 E CB -0.152 29.475 29.700 -0.121 0.000 0.752 236 E HN 0.336 nan 8.360 nan 0.000 0.449 237 L N -0.181 121.049 121.223 0.012 0.000 2.093 237 L HA -0.058 4.281 4.340 -0.001 0.000 0.208 237 L C 2.523 179.415 176.870 0.036 0.000 1.085 237 L CA 0.922 55.762 54.840 -0.000 0.000 0.755 237 L CB -0.612 41.430 42.059 -0.029 0.000 0.904 237 L HN 0.200 nan 8.230 nan 0.000 0.435 238 A N -0.206 122.688 122.820 0.123 0.000 1.908 238 A HA -0.270 4.050 4.320 -0.001 0.000 0.218 238 A C 2.227 179.999 177.584 0.312 0.000 1.181 238 A CA 1.660 53.828 52.037 0.218 0.000 0.627 238 A CB -0.498 18.789 19.000 0.479 0.000 0.818 238 A HN 0.476 nan 8.150 nan 0.000 0.445 239 Q N -1.102 118.837 119.800 0.231 0.000 2.226 239 Q HA -0.144 4.196 4.340 -0.001 0.000 0.204 239 Q C 1.418 177.414 176.000 -0.006 0.000 0.975 239 Q CA 1.250 57.045 55.803 -0.014 0.000 0.866 239 Q CB -0.015 28.575 28.738 -0.245 0.000 0.915 239 Q HN 0.608 nan 8.270 nan 0.000 0.440 240 Q N -0.216 119.590 119.800 0.010 0.000 2.282 240 Q HA 0.134 4.474 4.340 -0.001 0.000 0.206 240 Q C -0.405 175.611 176.000 0.026 0.000 0.878 240 Q CA 0.001 55.805 55.803 0.001 0.000 0.944 240 Q CB 0.669 29.397 28.738 -0.016 0.000 1.100 240 Q HN 0.279 nan 8.270 nan 0.000 0.509 241 R N 0.814 121.335 120.500 0.034 0.000 3.333 241 R HA -0.210 4.130 4.340 -0.001 0.000 0.256 241 R C -0.159 176.168 176.300 0.045 0.000 1.010 241 R CA 0.462 56.569 56.100 0.012 0.000 0.680 241 R CB -1.994 28.338 30.300 0.053 0.000 1.102 241 R HN 0.381 nan 8.270 nan 0.000 0.440 242 Q N 0.091 119.908 119.800 0.028 0.000 2.186 242 Q HA 0.199 4.538 4.340 -0.001 0.000 0.241 242 Q C 1.187 177.264 176.000 0.128 0.000 0.849 242 Q CA -0.234 55.621 55.803 0.088 0.000 1.053 242 Q CB 0.532 29.288 28.738 0.029 0.000 1.146 242 Q HN 0.441 nan 8.270 nan 0.000 0.475 243 L N 0.064 121.293 121.223 0.011 0.000 2.418 243 L HA 0.042 4.381 4.340 -0.001 0.000 0.218 243 L C 0.326 177.177 176.870 -0.031 0.000 1.125 243 L CA 0.945 55.763 54.840 -0.036 0.000 0.835 243 L CB 0.323 42.171 42.059 -0.352 0.000 0.953 243 L HN 0.190 nan 8.230 nan 0.000 0.454 244 E N 0.176 120.399 120.200 0.038 0.000 2.158 244 E HA 0.516 4.866 4.350 -0.001 0.000 0.271 244 E C -1.223 175.285 176.600 -0.153 0.000 0.911 244 E CA -0.535 55.687 56.400 -0.297 0.000 0.767 244 E CB 1.511 31.168 29.700 -0.072 0.000 1.120 244 E HN -0.000 nan 8.360 nan 0.000 0.405 245 F N -0.233 119.451 119.950 -0.442 0.000 2.686 245 F HA 0.472 4.998 4.527 -0.001 0.000 0.311 245 F C -1.532 174.157 175.800 -0.187 0.000 1.128 245 F CA -1.397 56.494 58.000 -0.181 0.000 0.946 245 F CB 0.763 39.688 39.000 -0.125 0.000 1.336 245 F HN 0.158 nan 8.300 nan 0.000 0.457 246 L N 2.677 124.060 121.223 0.266 0.000 2.268 246 L HA 0.177 4.516 4.340 -0.001 0.000 0.289 246 L C -1.065 176.037 176.870 0.385 0.000 1.064 246 L CA -0.223 54.769 54.840 0.254 0.000 0.824 246 L CB 0.487 42.697 42.059 0.253 0.000 1.202 246 L HN 0.585 nan 8.230 nan 0.000 0.433 247 W N 6.808 128.217 121.300 0.181 0.000 2.387 247 W HA 0.334 4.993 4.660 -0.001 0.000 0.310 247 W C 0.226 176.772 176.519 0.046 0.000 1.181 247 W CA -1.262 56.209 57.345 0.209 0.000 1.333 247 W CB 0.484 30.106 29.460 0.270 0.000 1.286 247 W HN 0.513 nan 8.180 nan 0.000 0.455 248 R N 3.741 124.419 120.500 0.296 0.000 2.758 248 R HA 0.535 4.874 4.340 -0.001 0.000 0.265 248 R C -0.065 176.142 176.300 -0.155 0.000 1.016 248 R CA -0.908 55.191 56.100 -0.001 0.000 1.040 248 R CB 1.080 31.361 30.300 -0.031 0.000 1.152 248 R HN 0.238 nan 8.270 nan 0.000 0.503 249 Q N 1.339 120.890 119.800 -0.415 0.000 2.421 249 Q HA 0.049 4.388 4.340 -0.001 0.000 0.255 249 Q C 1.467 177.064 176.000 -0.673 0.000 1.013 249 Q CA 0.134 55.484 55.803 -0.755 0.000 0.895 249 Q CB 0.765 28.593 28.738 -1.517 0.000 1.271 249 Q HN 0.846 nan 8.270 nan 0.000 0.460 250 I N -2.087 118.187 120.570 -0.494 0.000 2.454 250 I HA -0.150 4.020 4.170 -0.001 0.000 0.254 250 I C 1.326 177.376 176.117 -0.112 0.000 1.156 250 I CA 1.266 62.449 61.300 -0.194 0.000 1.433 250 I CB -0.372 37.615 38.000 -0.022 0.000 1.082 250 I HN 0.674 nan 8.210 nan 0.000 0.432 251 W N 1.434 122.790 121.300 0.095 0.000 3.278 251 W HA 0.352 5.012 4.660 -0.001 0.000 0.308 251 W C 0.236 176.832 176.519 0.128 0.000 1.253 251 W CA -0.649 56.814 57.345 0.198 0.000 1.759 251 W CB -0.694 28.977 29.460 0.351 0.000 1.093 251 W HN -0.052 nan 8.180 nan 0.000 0.648 252 D N 1.836 122.004 120.400 -0.387 0.000 2.422 252 D HA -0.018 4.621 4.640 -0.001 0.000 0.227 252 D C 0.950 177.225 176.300 -0.041 0.000 1.190 252 D CA 0.096 53.973 54.000 -0.204 0.000 0.905 252 D CB 0.301 40.877 40.800 -0.374 0.000 1.034 252 D HN 0.085 nan 8.370 nan 0.000 0.507 253 N N 3.696 122.434 118.700 0.063 0.000 2.270 253 N HA -0.126 4.613 4.740 -0.001 0.000 0.181 253 N C 1.428 176.958 175.510 0.033 0.000 1.016 253 N CA 1.079 54.158 53.050 0.048 0.000 0.870 253 N CB 0.153 38.690 38.487 0.084 0.000 0.979 253 N HN 0.344 nan 8.380 nan 0.000 0.431 254 K N -1.244 119.180 120.400 0.041 0.000 2.137 254 K HA 0.079 4.398 4.320 -0.001 0.000 0.202 254 K C 0.575 177.189 176.600 0.024 0.000 1.052 254 K CA 0.999 57.307 56.287 0.035 0.000 0.961 254 K CB 0.054 32.580 32.500 0.043 0.000 0.741 254 K HN 0.256 nan 8.250 nan 0.000 0.452 255 G N 1.017 109.823 108.800 0.010 0.000 2.163 255 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.213 255 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.213 255 G C 0.147 175.050 174.900 0.006 0.000 0.991 255 G CA 0.337 45.441 45.100 0.006 0.000 0.653 255 G HN 0.360 nan 8.290 nan 0.000 0.518 256 D N 0.676 121.080 120.400 0.007 0.000 2.310 256 D HA -0.031 4.609 4.640 -0.001 0.000 0.212 256 D C 2.588 178.877 176.300 -0.018 0.000 0.965 256 D CA 1.736 55.739 54.000 0.004 0.000 0.879 256 D CB -0.217 40.593 40.800 0.015 0.000 0.921 256 D HN 0.671 nan 8.370 nan 0.000 0.510 257 T N -1.969 112.564 114.554 -0.035 0.000 3.113 257 T HA 0.286 4.635 4.350 -0.001 0.000 0.256 257 T C 0.989 175.651 174.700 -0.064 0.000 1.131 257 T CA -0.038 62.020 62.100 -0.071 0.000 1.074 257 T CB -0.006 68.801 68.868 -0.102 0.000 0.944 257 T HN 0.063 nan 8.240 nan 0.000 0.516 258 A N 1.375 124.184 122.820 -0.019 0.000 2.531 258 A HA 0.552 4.871 4.320 -0.001 0.000 0.236 258 A C -0.268 177.338 177.584 0.037 0.000 1.062 258 A CA -0.340 51.718 52.037 0.034 0.000 0.760 258 A CB -0.104 18.941 19.000 0.076 0.000 0.995 258 A HN 0.556 nan 8.150 nan 0.000 0.501 259 L N 2.610 123.876 121.223 0.072 0.000 2.409 259 L HA 0.567 4.907 4.340 -0.001 0.000 0.272 259 L C -0.660 176.272 176.870 0.103 0.000 0.980 259 L CA -0.560 54.318 54.840 0.062 0.000 0.826 259 L CB 1.463 43.523 42.059 -0.000 0.000 1.268 259 L HN 0.663 nan 8.230 nan 0.000 0.407 260 F N 3.816 123.729 119.950 -0.062 0.000 2.578 260 F HA 0.386 4.912 4.527 -0.001 0.000 0.381 260 F C 0.029 175.710 175.800 -0.197 0.000 1.069 260 F CA 0.828 58.757 58.000 -0.118 0.000 1.231 260 F CB 0.435 39.383 39.000 -0.086 0.000 1.086 260 F HN 0.567 nan 8.300 nan 0.000 0.564 261 T N 5.352 119.332 114.554 -0.956 0.000 2.881 261 T HA 0.199 4.548 4.350 -0.001 0.000 0.290 261 T C -1.622 172.439 174.700 -1.064 0.000 1.000 261 T CA -0.486 61.129 62.100 -0.809 0.000 0.978 261 T CB 0.900 69.289 68.868 -0.798 0.000 0.997 261 T HN 0.609 nan 8.240 nan 0.000 0.443 262 H N 2.867 121.628 119.070 -0.515 0.000 2.541 262 H HA 0.618 5.173 4.556 -0.001 0.000 0.316 262 H C -0.370 174.769 175.328 -0.315 0.000 1.043 262 H CA -0.740 55.122 56.048 -0.310 0.000 1.232 262 H CB 0.732 30.535 29.762 0.068 0.000 1.406 262 H HN 0.482 nan 8.280 nan 0.000 0.469 263 M N 7.006 126.274 119.600 -0.553 0.000 2.113 263 M HA 0.289 4.768 4.480 -0.001 0.000 0.352 263 M C -0.901 175.155 176.300 -0.407 0.000 1.170 263 M CA -0.567 54.486 55.300 -0.410 0.000 1.053 263 M CB 0.627 33.044 32.600 -0.306 0.000 1.601 263 M HN 0.669 nan 8.290 nan 0.000 0.459 264 M N 6.765 126.225 119.600 -0.232 0.000 2.245 264 M HA 0.193 4.672 4.480 -0.001 0.000 0.330 264 M C -1.630 174.545 176.300 -0.208 0.000 1.098 264 M CA -1.196 54.014 55.300 -0.149 0.000 1.172 264 M CB 0.290 32.823 32.600 -0.112 0.000 1.467 264 M HN 0.475 nan 8.290 nan 0.000 0.454 265 P HA 0.148 nan 4.420 nan 0.000 0.252 265 P C -0.410 176.709 177.300 -0.301 0.000 1.218 265 P CA 0.789 63.597 63.100 -0.487 0.000 0.807 265 P CB 0.383 31.480 31.700 -1.005 0.000 1.072 266 F N -1.848 118.113 119.950 0.017 0.000 2.611 266 F HA 0.305 4.831 4.527 -0.001 0.000 0.374 266 F C 1.947 177.834 175.800 0.145 0.000 1.110 266 F CA -1.500 56.542 58.000 0.071 0.000 1.090 266 F CB -0.765 38.213 39.000 -0.038 0.000 1.388 266 F HN -0.319 nan 8.300 nan 0.000 0.501 267 Y N 0.065 120.508 120.300 0.239 0.000 2.373 267 Y HA 0.112 4.661 4.550 -0.001 0.000 0.293 267 Y C 0.893 176.710 175.900 -0.139 0.000 1.129 267 Y CA 1.375 59.474 58.100 -0.001 0.000 1.226 267 Y CB 0.077 38.435 38.460 -0.170 0.000 1.000 267 Y HN 0.352 nan 8.280 nan 0.000 0.549 268 S N -1.780 113.772 115.700 -0.247 0.000 2.651 268 S HA 0.264 4.733 4.470 -0.001 0.000 0.279 268 S C -0.410 174.113 174.600 -0.129 0.000 1.148 268 S CA -0.397 57.561 58.200 -0.404 0.000 0.837 268 S CB 0.349 63.259 63.200 -0.483 0.000 1.138 268 S HN 0.285 nan 8.310 nan 0.000 0.478 269 Y N 0.743 120.999 120.300 -0.073 0.000 2.466 269 Y HA 0.322 4.872 4.550 -0.001 0.000 0.272 269 Y C 0.422 176.406 175.900 0.140 0.000 1.169 269 Y CA -0.648 57.440 58.100 -0.021 0.000 1.285 269 Y CB -1.016 37.337 38.460 -0.180 0.000 1.078 269 Y HN 0.533 nan 8.280 nan 0.000 0.523 270 D N 0.661 121.054 120.400 -0.012 0.000 2.384 270 D HA -0.025 4.614 4.640 -0.001 0.000 0.244 270 D C 1.228 177.657 176.300 0.215 0.000 1.251 270 D CA -0.384 53.708 54.000 0.154 0.000 0.961 270 D CB 0.825 41.677 40.800 0.087 0.000 1.116 270 D HN 0.253 nan 8.370 nan 0.000 0.484 271 I N -0.287 120.387 120.570 0.173 0.000 2.226 271 I HA -0.142 4.027 4.170 -0.001 0.000 0.245 271 I C -0.753 175.401 176.117 0.062 0.000 1.100 271 I CA 0.794 62.180 61.300 0.144 0.000 1.374 271 I CB -1.197 36.875 38.000 0.121 0.000 1.057 271 I HN 0.337 nan 8.210 nan 0.000 0.413 272 P HA -0.165 nan 4.420 nan 0.000 0.220 272 P C 0.589 177.582 177.300 -0.511 0.000 1.144 272 P CA 1.638 64.549 63.100 -0.315 0.000 0.800 272 P CB -0.122 31.374 31.700 -0.340 0.000 0.772 273 H N -3.054 116.011 119.070 -0.009 0.000 2.486 273 H HA 0.218 4.774 4.556 -0.001 0.000 0.284 273 H C 0.937 176.362 175.328 0.163 0.000 1.103 273 H CA 0.576 56.632 56.048 0.013 0.000 1.089 273 H CB -0.180 29.657 29.762 0.125 0.000 1.603 273 H HN 0.109 nan 8.280 nan 0.000 0.557 274 T N -4.233 110.440 114.554 0.198 0.000 2.986 274 T HA -0.030 4.319 4.350 -0.001 0.000 0.264 274 T C 1.833 176.658 174.700 0.208 0.000 0.964 274 T CA 0.371 62.615 62.100 0.240 0.000 0.895 274 T CB -0.681 68.318 68.868 0.218 0.000 1.163 274 T HN 0.504 nan 8.240 nan 0.000 0.517 275 c N 1.689 120.382 118.600 0.154 0.000 2.495 275 c HA 0.694 5.263 4.570 -0.001 0.000 0.275 275 c C 1.344 175.555 174.090 0.201 0.000 1.392 275 c CA 0.409 56.867 56.329 0.216 0.000 1.766 275 c CB -1.205 41.391 42.510 0.144 0.000 1.933 275 c HN 0.893 nan 8.230 nan 0.000 0.519 276 G N -0.421 108.417 108.800 0.063 0.000 2.324 276 G HA2 0.369 4.329 3.960 -0.001 0.000 0.293 276 G HA3 0.369 4.329 3.960 -0.001 0.000 0.293 276 G C -2.721 171.775 174.900 -0.672 0.000 1.297 276 G CA 0.218 45.283 45.100 -0.059 0.000 0.853 276 G HN -0.099 nan 8.290 nan 0.000 0.535 277 P HA 0.091 nan 4.420 nan 0.000 0.229 277 P C -0.089 176.793 177.300 -0.698 0.000 1.160 277 P CA 1.007 63.405 63.100 -1.169 0.000 0.777 277 P CB 0.364 31.707 31.700 -0.594 0.000 0.814 278 D N 1.018 121.128 120.400 -0.484 0.000 2.443 278 D HA 0.137 4.776 4.640 -0.001 0.000 0.221 278 D C -1.484 174.478 176.300 -0.564 0.000 1.097 278 D CA -2.610 51.146 54.000 -0.406 0.000 0.865 278 D CB 1.245 41.892 40.800 -0.255 0.000 1.034 278 D HN 0.007 nan 8.370 nan 0.000 0.511 279 P HA -0.123 nan 4.420 nan 0.000 0.223 279 P C 1.250 177.735 177.300 -1.359 0.000 1.151 279 P CA 0.608 62.962 63.100 -1.243 0.000 0.787 279 P CB 0.492 31.147 31.700 -1.742 0.000 0.788 280 K N 0.345 120.074 120.400 -1.117 0.000 2.147 280 K HA -0.082 4.237 4.320 -0.001 0.000 0.205 280 K C 1.794 178.214 176.600 -0.300 0.000 1.049 280 K CA 1.210 57.156 56.287 -0.567 0.000 0.936 280 K CB -0.253 32.104 32.500 -0.238 0.000 0.722 280 K HN -0.064 nan 8.250 nan 0.000 0.446 281 V N 0.354 120.099 119.914 -0.282 0.000 2.346 281 V HA -0.243 3.876 4.120 -0.001 0.000 0.244 281 V C 2.414 178.475 176.094 -0.055 0.000 1.037 281 V CA 1.449 63.675 62.300 -0.122 0.000 1.029 281 V CB -0.343 31.424 31.823 -0.093 0.000 0.663 281 V HN 0.476 nan 8.190 nan 0.000 0.454 282 c N -0.746 117.745 118.600 -0.182 0.000 2.422 282 c HA -0.189 4.381 4.570 -0.001 0.000 0.279 282 c C 2.982 177.035 174.090 -0.061 0.000 1.305 282 c CA 0.686 56.972 56.329 -0.072 0.000 1.757 282 c CB -1.526 40.869 42.510 -0.192 0.000 1.962 282 c HN 0.758 nan 8.230 nan 0.000 0.499 283 c N 0.917 119.390 118.600 -0.211 0.000 2.410 283 c HA -0.158 4.411 4.570 -0.001 0.000 0.281 283 c C 2.619 176.603 174.090 -0.176 0.000 1.318 283 c CA 1.272 57.530 56.329 -0.119 0.000 1.776 283 c CB -1.458 41.060 42.510 0.012 0.000 1.942 283 c HN 0.640 nan 8.230 nan 0.000 0.508 284 Q N -1.394 118.249 119.800 -0.260 0.000 2.515 284 Q HA -0.026 4.313 4.340 -0.001 0.000 0.212 284 Q C 0.630 175.978 176.000 -1.087 0.000 0.970 284 Q CA 0.991 56.452 55.803 -0.570 0.000 0.941 284 Q CB -0.029 28.355 28.738 -0.590 0.000 0.998 284 Q HN 0.750 nan 8.270 nan 0.000 0.518 285 F N -0.367 119.288 119.950 -0.492 0.000 2.698 285 F HA 0.172 4.698 4.527 -0.001 0.000 0.304 285 F C 0.183 175.700 175.800 -0.472 0.000 1.108 285 F CA -0.634 56.970 58.000 -0.660 0.000 1.263 285 F CB 0.798 39.659 39.000 -0.232 0.000 1.013 285 F HN -0.147 nan 8.300 nan 0.000 0.532 286 D N 0.152 120.338 120.400 -0.357 0.000 2.467 286 D HA 0.139 4.778 4.640 -0.001 0.000 0.220 286 D C 0.460 176.587 176.300 -0.287 0.000 1.103 286 D CA -0.340 53.559 54.000 -0.168 0.000 0.886 286 D CB 0.143 40.901 40.800 -0.069 0.000 1.025 286 D HN 0.090 nan 8.370 nan 0.000 0.514 287 F N 1.816 121.774 119.950 0.015 0.000 2.802 287 F HA 0.107 4.633 4.527 -0.001 0.000 0.300 287 F C 2.310 178.065 175.800 -0.075 0.000 1.168 287 F CA 0.252 58.236 58.000 -0.027 0.000 1.433 287 F CB 0.077 39.081 39.000 0.007 0.000 1.115 287 F HN 0.260 nan 8.300 nan 0.000 0.582 288 K N 0.645 120.991 120.400 -0.091 0.000 2.487 288 K HA 0.058 4.378 4.320 -0.001 0.000 0.192 288 K C 1.156 177.734 176.600 -0.036 0.000 1.027 288 K CA 0.253 56.359 56.287 -0.300 0.000 1.054 288 K CB 0.126 32.299 32.500 -0.544 0.000 0.824 288 K HN 0.184 nan 8.250 nan 0.000 0.510 289 R N 0.048 120.546 120.500 -0.002 0.000 2.586 289 R HA 0.198 4.537 4.340 -0.001 0.000 0.306 289 R C 0.841 177.173 176.300 0.054 0.000 1.079 289 R CA -0.140 55.978 56.100 0.030 0.000 1.083 289 R CB 0.248 30.541 30.300 -0.012 0.000 1.306 289 R HN 0.193 nan 8.270 nan 0.000 0.567 290 M N -1.194 118.475 119.600 0.114 0.000 2.502 290 M HA 0.177 4.656 4.480 -0.001 0.000 0.243 290 M C 1.148 177.489 176.300 0.068 0.000 1.130 290 M CA 0.688 56.036 55.300 0.080 0.000 1.055 290 M CB 0.993 33.650 32.600 0.095 0.000 1.457 290 M HN 0.465 nan 8.290 nan 0.000 0.488 291 G N -0.053 108.803 108.800 0.093 0.000 3.465 291 G HA2 -0.238 3.721 3.960 -0.001 0.000 0.196 291 G HA3 -0.238 3.721 3.960 -0.001 0.000 0.196 291 G C 0.988 175.891 174.900 0.006 0.000 1.170 291 G CA 0.234 45.358 45.100 0.041 0.000 0.887 291 G HN 0.403 nan 8.290 nan 0.000 0.444 292 S N 0.286 115.946 115.700 -0.067 0.000 2.474 292 S HA 0.206 4.675 4.470 -0.001 0.000 0.235 292 S C 1.684 176.079 174.600 -0.341 0.000 0.997 292 S CA 1.501 59.558 58.200 -0.239 0.000 0.949 292 S CB -0.427 62.544 63.200 -0.382 0.000 0.766 292 S HN 0.366 nan 8.310 nan 0.000 0.517 293 F N 1.754 121.699 119.950 -0.007 0.000 2.727 293 F HA 0.445 4.972 4.527 -0.001 0.000 0.302 293 F C 1.853 177.649 175.800 -0.006 0.000 1.097 293 F CA -0.163 57.831 58.000 -0.009 0.000 1.330 293 F CB -0.169 38.822 39.000 -0.014 0.000 1.084 293 F HN 0.341 nan 8.300 nan 0.000 0.578 294 G N 1.222 110.095 108.800 0.121 0.000 2.160 294 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.251 294 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.251 294 G C -0.112 174.839 174.900 0.085 0.000 1.008 294 G CA 0.114 45.260 45.100 0.078 0.000 0.724 294 G HN 0.321 nan 8.290 nan 0.000 0.514 295 L N 0.012 121.299 121.223 0.107 0.000 2.341 295 L HA 0.865 5.205 4.340 -0.001 0.000 0.267 295 L C 0.498 177.403 176.870 0.058 0.000 1.009 295 L CA -0.385 54.501 54.840 0.077 0.000 0.819 295 L CB 2.346 44.449 42.059 0.073 0.000 1.323 295 L HN 0.455 nan 8.230 nan 0.000 0.425 296 S N -0.717 115.005 115.700 0.037 0.000 2.656 296 S HA 0.521 4.991 4.470 -0.001 0.000 0.273 296 S C -1.259 173.357 174.600 0.027 0.000 1.168 296 S CA -0.808 57.406 58.200 0.023 0.000 0.817 296 S CB 1.606 64.809 63.200 0.005 0.000 1.146 296 S HN 0.523 nan 8.310 nan 0.000 0.475 297 c N 3.021 121.642 118.600 0.034 0.000 2.265 297 c HA 0.557 5.127 4.570 -0.001 0.000 0.332 297 c C -1.108 172.977 174.090 -0.008 0.000 1.248 297 c CA -1.156 55.233 56.329 0.101 0.000 1.727 297 c CB 0.779 43.382 42.510 0.155 0.000 2.348 297 c HN 0.759 nan 8.230 nan 0.000 0.519 298 P HA -0.065 nan 4.420 nan 0.000 0.230 298 P C 1.118 178.117 177.300 -0.501 0.000 1.158 298 P CA 1.151 63.976 63.100 -0.458 0.000 0.769 298 P CB 0.069 31.338 31.700 -0.719 0.000 0.807 299 W N 0.646 121.923 121.300 -0.039 0.000 3.180 299 W HA 0.164 4.824 4.660 -0.001 0.000 0.254 299 W C 0.691 177.182 176.519 -0.046 0.000 1.318 299 W CA 0.144 57.462 57.345 -0.046 0.000 1.608 299 W CB -0.503 28.919 29.460 -0.062 0.000 1.124 299 W HN 0.140 nan 8.180 nan 0.000 0.694 300 K N -1.240 119.217 120.400 0.094 0.000 3.512 300 K HA -0.172 4.148 4.320 -0.001 0.000 0.309 300 K C -0.358 176.264 176.600 0.038 0.000 1.350 300 K CA 0.527 56.835 56.287 0.036 0.000 0.960 300 K CB -1.957 30.551 32.500 0.013 0.000 1.290 300 K HN -0.116 nan 8.250 nan 0.000 0.454 301 V N 2.058 122.007 119.914 0.059 0.000 2.357 301 V HA 0.324 4.443 4.120 -0.001 0.000 0.284 301 V C -1.810 174.270 176.094 -0.023 0.000 1.018 301 V CA -1.576 60.727 62.300 0.006 0.000 0.841 301 V CB 1.299 33.116 31.823 -0.010 0.000 0.991 301 V HN -0.039 nan 8.190 nan 0.000 0.437 302 P HA 0.401 nan 4.420 nan 0.000 0.276 302 P C -2.827 174.384 177.300 -0.149 0.000 1.244 302 P CA -2.070 60.988 63.100 -0.069 0.000 0.801 302 P CB 0.291 31.965 31.700 -0.043 0.000 1.006 303 P HA 0.241 nan 4.420 nan 0.000 0.269 303 P C -0.283 176.920 177.300 -0.162 0.000 1.215 303 P CA 0.168 63.070 63.100 -0.329 0.000 0.780 303 P CB 0.561 32.012 31.700 -0.415 0.000 0.898 304 R N 0.439 120.849 120.500 -0.149 0.000 2.599 304 R HA 0.396 4.735 4.340 -0.001 0.000 0.295 304 R C -0.314 176.042 176.300 0.094 0.000 0.963 304 R CA -0.659 55.423 56.100 -0.029 0.000 0.883 304 R CB 1.281 31.541 30.300 -0.068 0.000 1.171 304 R HN 0.364 nan 8.270 nan 0.000 0.450 305 T N 4.043 118.648 114.554 0.085 0.000 2.905 305 T HA 0.019 4.369 4.350 -0.001 0.000 0.299 305 T C 0.786 175.476 174.700 -0.017 0.000 1.024 305 T CA 0.146 62.270 62.100 0.039 0.000 1.151 305 T CB 0.121 68.993 68.868 0.006 0.000 0.987 305 T HN 0.200 nan 8.240 nan 0.000 0.535 306 I N 4.076 124.588 120.570 -0.096 0.000 2.496 306 I HA 0.229 4.399 4.170 -0.001 0.000 0.285 306 I C 1.022 177.089 176.117 -0.084 0.000 1.080 306 I CA 0.095 61.338 61.300 -0.095 0.000 1.404 306 I CB 0.112 38.015 38.000 -0.161 0.000 1.403 306 I HN 0.774 nan 8.210 nan 0.000 0.539 307 S N 3.875 119.537 115.700 -0.063 0.000 2.704 307 S HA 0.449 4.919 4.470 -0.001 0.000 0.296 307 S C 0.391 174.958 174.600 -0.054 0.000 1.138 307 S CA -0.745 57.425 58.200 -0.050 0.000 0.875 307 S CB 2.100 65.278 63.200 -0.036 0.000 1.151 307 S HN 0.493 nan 8.310 nan 0.000 0.500 308 D N 0.673 121.051 120.400 -0.037 0.000 2.178 308 D HA -0.058 4.581 4.640 -0.001 0.000 0.201 308 D C 1.597 177.871 176.300 -0.044 0.000 0.980 308 D CA 1.466 55.446 54.000 -0.035 0.000 0.842 308 D CB -0.290 40.504 40.800 -0.009 0.000 0.948 308 D HN 0.543 nan 8.370 nan 0.000 0.472 309 Q N 0.090 119.868 119.800 -0.035 0.000 2.369 309 Q HA -0.027 4.313 4.340 -0.001 0.000 0.206 309 Q C 1.140 177.116 176.000 -0.041 0.000 0.963 309 Q CA 0.830 56.614 55.803 -0.031 0.000 0.894 309 Q CB -0.089 28.636 28.738 -0.022 0.000 0.965 309 Q HN 0.394 nan 8.270 nan 0.000 0.475 310 N N -2.096 116.571 118.700 -0.055 0.000 2.166 310 N HA -0.012 4.727 4.740 -0.001 0.000 0.213 310 N C 1.008 176.468 175.510 -0.083 0.000 1.222 310 N CA 0.148 53.165 53.050 -0.055 0.000 0.900 310 N CB -0.296 38.166 38.487 -0.042 0.000 1.055 310 N HN 0.042 nan 8.380 nan 0.000 0.515 311 V N 0.530 120.359 119.914 -0.141 0.000 2.407 311 V HA -0.020 4.099 4.120 -0.001 0.000 0.248 311 V C 2.221 178.110 176.094 -0.341 0.000 1.055 311 V CA 2.033 64.201 62.300 -0.221 0.000 1.049 311 V CB -0.823 30.849 31.823 -0.252 0.000 0.662 311 V HN 0.431 nan 8.190 nan 0.000 0.455 312 A N -0.166 122.426 122.820 -0.380 0.000 1.898 312 A HA -0.015 4.304 4.320 -0.001 0.000 0.216 312 A C 2.429 180.049 177.584 0.059 0.000 1.181 312 A CA 2.058 53.989 52.037 -0.177 0.000 0.620 312 A CB -0.995 18.004 19.000 -0.002 0.000 0.819 312 A HN 0.788 nan 8.150 nan 0.000 0.442 313 A N -0.354 122.476 122.820 0.016 0.000 1.877 313 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 313 A C 2.247 179.868 177.584 0.062 0.000 1.186 313 A CA 1.414 53.480 52.037 0.049 0.000 0.620 313 A CB -0.455 18.557 19.000 0.019 0.000 0.822 313 A HN 0.417 nan 8.150 nan 0.000 0.443 314 R N 0.059 120.587 120.500 0.047 0.000 2.081 314 R HA -0.057 4.282 4.340 -0.001 0.000 0.235 314 R C 2.438 178.781 176.300 0.073 0.000 1.131 314 R CA 1.537 57.721 56.100 0.139 0.000 0.960 314 R CB -0.971 29.411 30.300 0.136 0.000 0.856 314 R HN 0.536 nan 8.270 nan 0.000 0.436 315 S N 1.230 116.920 115.700 -0.018 0.000 2.368 315 S HA -0.157 4.312 4.470 -0.001 0.000 0.225 315 S C 1.511 175.978 174.600 -0.222 0.000 1.030 315 S CA 1.498 59.590 58.200 -0.179 0.000 0.999 315 S CB -0.313 62.905 63.200 0.030 0.000 0.844 315 S HN 0.294 nan 8.310 nan 0.000 0.459 316 D N 1.277 121.744 120.400 0.111 0.000 2.123 316 D HA -0.073 4.567 4.640 -0.001 0.000 0.196 316 D C 1.833 178.138 176.300 0.008 0.000 0.992 316 D CA 0.942 55.063 54.000 0.201 0.000 0.833 316 D CB -0.243 40.714 40.800 0.262 0.000 0.954 316 D HN 0.256 nan 8.370 nan 0.000 0.455 317 L N -0.380 120.825 121.223 -0.030 0.000 2.046 317 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 317 L C 2.332 179.025 176.870 -0.294 0.000 1.077 317 L CA 0.570 55.372 54.840 -0.064 0.000 0.747 317 L CB -0.284 41.816 42.059 0.069 0.000 0.896 317 L HN 0.191 nan 8.230 nan 0.000 0.432 318 L N -0.892 119.974 121.223 -0.596 0.000 2.044 318 L HA -0.123 4.216 4.340 -0.001 0.000 0.205 318 L C 2.317 178.489 176.870 -1.165 0.000 1.075 318 L CA 1.537 55.680 54.840 -1.163 0.000 0.747 318 L CB -0.332 40.726 42.059 -1.668 0.000 0.903 318 L HN -0.085 nan 8.230 nan 0.000 0.435 319 V N -0.031 119.331 119.914 -0.920 0.000 2.407 319 V HA -0.307 3.812 4.120 -0.001 0.000 0.248 319 V C 2.303 178.225 176.094 -0.286 0.000 1.055 319 V CA 1.913 63.829 62.300 -0.640 0.000 1.049 319 V CB -0.793 30.655 31.823 -0.624 0.000 0.662 319 V HN 0.579 nan 8.190 nan 0.000 0.455 320 D N -0.716 119.582 120.400 -0.170 0.000 2.123 320 D HA -0.209 4.430 4.640 -0.001 0.000 0.196 320 D C 2.243 178.525 176.300 -0.030 0.000 0.992 320 D CA 1.218 55.230 54.000 0.020 0.000 0.833 320 D CB -0.012 40.855 40.800 0.110 0.000 0.954 320 D HN 0.300 nan 8.370 nan 0.000 0.455 321 Q N -0.495 119.215 119.800 -0.151 0.000 2.050 321 Q HA -0.147 4.192 4.340 -0.001 0.000 0.202 321 Q C 2.175 178.197 176.000 0.037 0.000 0.980 321 Q CA 1.022 56.763 55.803 -0.104 0.000 0.840 321 Q CB -0.619 27.994 28.738 -0.208 0.000 0.898 321 Q HN 0.558 nan 8.270 nan 0.000 0.424 322 W N 1.463 122.657 121.300 -0.177 0.000 2.358 322 W HA -0.099 4.560 4.660 -0.001 0.000 0.303 322 W C 2.094 178.495 176.519 -0.197 0.000 1.208 322 W CA 0.748 57.986 57.345 -0.177 0.000 1.274 322 W CB -0.666 28.657 29.460 -0.229 0.000 1.138 322 W HN 0.221 nan 8.180 nan 0.000 0.515 323 K N 0.184 120.537 120.400 -0.078 0.000 2.148 323 K HA -0.136 4.184 4.320 -0.001 0.000 0.204 323 K C 1.944 178.405 176.600 -0.232 0.000 1.050 323 K CA 1.223 57.312 56.287 -0.329 0.000 0.942 323 K CB -0.214 31.774 32.500 -0.854 0.000 0.724 323 K HN 0.075 nan 8.250 nan 0.000 0.446 324 K N 1.046 121.399 120.400 -0.077 0.000 2.026 324 K HA -0.156 4.163 4.320 -0.001 0.000 0.208 324 K C 2.117 178.796 176.600 0.131 0.000 1.048 324 K CA 1.260 57.629 56.287 0.138 0.000 0.929 324 K CB -0.029 32.564 32.500 0.156 0.000 0.713 324 K HN 0.014 nan 8.250 nan 0.000 0.439 325 K N 0.766 121.247 120.400 0.134 0.000 2.063 325 K HA -0.145 4.174 4.320 -0.001 0.000 0.208 325 K C 2.055 178.781 176.600 0.210 0.000 1.048 325 K CA 1.318 57.710 56.287 0.175 0.000 0.928 325 K CB -0.108 32.509 32.500 0.196 0.000 0.713 325 K HN 0.156 nan 8.250 nan 0.000 0.442 326 A N 1.216 124.141 122.820 0.175 0.000 2.019 326 A HA -0.142 4.177 4.320 -0.001 0.000 0.219 326 A C 1.709 179.466 177.584 0.287 0.000 1.164 326 A CA 1.331 53.510 52.037 0.235 0.000 0.644 326 A CB -0.337 18.767 19.000 0.174 0.000 0.805 326 A HN 0.310 nan 8.150 nan 0.000 0.449 327 E N 0.055 120.401 120.200 0.244 0.000 2.267 327 E HA -0.124 4.225 4.350 -0.001 0.000 0.197 327 E C 1.600 178.327 176.600 0.211 0.000 0.998 327 E CA 0.745 57.296 56.400 0.251 0.000 0.830 327 E CB -0.271 29.604 29.700 0.292 0.000 0.751 327 E HN 0.726 nan 8.360 nan 0.000 0.491 328 L N -0.705 120.603 121.223 0.142 0.000 2.558 328 L HA 0.045 4.384 4.340 -0.001 0.000 0.225 328 L C 0.213 176.870 176.870 -0.356 0.000 1.128 328 L CA 0.210 54.999 54.840 -0.086 0.000 0.868 328 L CB -0.040 41.852 42.059 -0.279 0.000 1.006 328 L HN -0.003 nan 8.230 nan 0.000 0.454 329 Y N -1.597 118.785 120.300 0.137 0.000 2.602 329 Y HA 0.374 4.924 4.550 -0.001 0.000 0.342 329 Y C 1.133 177.145 175.900 0.187 0.000 1.029 329 Y CA -0.972 57.230 58.100 0.169 0.000 1.080 329 Y CB 1.226 39.798 38.460 0.186 0.000 1.284 329 Y HN -0.275 nan 8.280 nan 0.000 0.485 330 R N -0.524 120.210 120.500 0.389 0.000 2.254 330 R HA 0.078 4.417 4.340 -0.001 0.000 0.195 330 R C 0.377 176.797 176.300 0.201 0.000 0.957 330 R CA 0.787 57.023 56.100 0.227 0.000 1.024 330 R CB 0.211 30.577 30.300 0.110 0.000 0.952 330 R HN 0.753 nan 8.270 nan 0.000 0.484 331 T N -0.779 113.939 114.554 0.273 0.000 2.922 331 T HA 0.103 4.452 4.350 -0.001 0.000 0.281 331 T C 0.634 175.464 174.700 0.217 0.000 1.005 331 T CA -0.938 61.289 62.100 0.210 0.000 0.982 331 T CB 1.209 70.187 68.868 0.184 0.000 1.158 331 T HN 0.079 nan 8.240 nan 0.000 0.566 332 N N 0.070 118.868 118.700 0.162 0.000 2.327 332 N HA 0.141 4.881 4.740 -0.001 0.000 0.231 332 N C -0.724 174.793 175.510 0.010 0.000 1.130 332 N CA -0.371 52.741 53.050 0.102 0.000 0.845 332 N CB -0.157 38.272 38.487 -0.098 0.000 1.073 332 N HN 0.377 nan 8.380 nan 0.000 0.496 333 V N 1.239 121.187 119.914 0.056 0.000 2.409 333 V HA 0.424 4.543 4.120 -0.001 0.000 0.291 333 V C -0.641 175.551 176.094 0.163 0.000 1.020 333 V CA -0.972 61.363 62.300 0.059 0.000 0.848 333 V CB 1.575 33.411 31.823 0.020 0.000 0.990 333 V HN 0.180 nan 8.190 nan 0.000 0.430 334 L N 5.682 126.938 121.223 0.056 0.000 2.341 334 L HA 0.696 5.036 4.340 -0.001 0.000 0.278 334 L C -0.881 175.850 176.870 -0.232 0.000 1.005 334 L CA -0.490 54.293 54.840 -0.094 0.000 0.818 334 L CB 1.685 43.593 42.059 -0.252 0.000 1.259 334 L HN 0.634 nan 8.230 nan 0.000 0.418 335 L N 6.376 127.245 121.223 -0.591 0.000 2.264 335 L HA 0.555 4.894 4.340 -0.001 0.000 0.289 335 L C -1.036 175.534 176.870 -0.499 0.000 1.044 335 L CA 0.112 54.442 54.840 -0.849 0.000 0.807 335 L CB 0.771 41.838 42.059 -1.654 0.000 1.192 335 L HN 0.435 nan 8.230 nan 0.000 0.425 336 I N 7.525 127.884 120.570 -0.351 0.000 2.502 336 I HA 0.340 4.510 4.170 -0.001 0.000 0.276 336 I C -2.264 173.824 176.117 -0.049 0.000 1.057 336 I CA -2.084 59.104 61.300 -0.188 0.000 1.163 336 I CB 0.929 38.785 38.000 -0.241 0.000 1.288 336 I HN 0.418 nan 8.210 nan 0.000 0.479 337 P HA 0.132 nan 4.420 nan 0.000 0.269 337 P C -0.405 177.068 177.300 0.287 0.000 1.209 337 P CA -0.215 63.011 63.100 0.210 0.000 0.776 337 P CB 0.836 32.707 31.700 0.286 0.000 0.876 338 L N 2.787 124.219 121.223 0.348 0.000 2.462 338 L HA 0.749 5.088 4.340 -0.001 0.000 0.255 338 L C -0.091 176.842 176.870 0.105 0.000 1.076 338 L CA 0.398 55.364 54.840 0.209 0.000 0.920 338 L CB 0.440 42.554 42.059 0.091 0.000 1.214 338 L HN 0.621 nan 8.230 nan 0.000 0.472 339 G N 1.574 110.327 108.800 -0.079 0.000 2.342 339 G HA2 0.468 4.428 3.960 -0.001 0.000 0.297 339 G HA3 0.468 4.428 3.960 -0.001 0.000 0.297 339 G C -2.181 172.613 174.900 -0.176 0.000 1.313 339 G CA -0.203 44.619 45.100 -0.463 0.000 0.830 339 G HN 0.376 nan 8.290 nan 0.000 0.506 340 D N -1.797 118.566 120.400 -0.061 0.000 2.879 340 D HA 0.305 4.944 4.640 -0.001 0.000 0.346 340 D C -1.537 174.913 176.300 0.249 0.000 1.390 340 D CA -0.442 53.705 54.000 0.245 0.000 0.838 340 D CB 1.336 42.222 40.800 0.143 0.000 1.416 340 D HN 0.217 nan 8.370 nan 0.000 0.493 341 D N 0.406 121.002 120.400 0.326 0.000 2.417 341 D HA 0.231 4.871 4.640 -0.001 0.000 0.250 341 D C 0.170 176.633 176.300 0.272 0.000 1.166 341 D CA 0.455 54.636 54.000 0.303 0.000 0.881 341 D CB -0.269 40.800 40.800 0.449 0.000 1.164 341 D HN 0.338 nan 8.370 nan 0.000 0.467 342 F N 0.287 120.304 119.950 0.110 0.000 3.090 342 F HA -0.304 4.222 4.527 -0.001 0.000 0.282 342 F C 1.090 176.931 175.800 0.068 0.000 0.923 342 F CA 0.594 58.634 58.000 0.067 0.000 0.977 342 F CB -0.926 38.101 39.000 0.045 0.000 0.954 342 F HN 0.233 nan 8.300 nan 0.000 0.695 343 R N -0.528 120.060 120.500 0.146 0.000 2.580 343 R HA 0.491 4.830 4.340 -0.001 0.000 0.267 343 R C 0.740 177.069 176.300 0.048 0.000 1.125 343 R CA -0.727 55.351 56.100 -0.038 0.000 1.188 343 R CB -0.097 30.079 30.300 -0.206 0.000 1.155 343 R HN 0.181 nan 8.270 nan 0.000 0.586 344 F N -0.790 118.997 119.950 -0.271 0.000 3.071 344 F HA -0.281 4.246 4.527 -0.001 0.000 0.295 344 F C 1.339 177.111 175.800 -0.047 0.000 0.919 344 F CA 1.039 58.689 58.000 -0.583 0.000 1.050 344 F CB -1.120 37.271 39.000 -1.016 0.000 1.040 344 F HN 0.598 nan 8.300 nan 0.000 0.692 345 K N -0.077 120.375 120.400 0.087 0.000 2.054 345 K HA 0.041 4.360 4.320 -0.001 0.000 0.207 345 K C 0.688 177.435 176.600 0.245 0.000 1.031 345 K CA 0.694 57.108 56.287 0.213 0.000 0.952 345 K CB 0.151 32.746 32.500 0.158 0.000 0.775 345 K HN 0.235 nan 8.250 nan 0.000 0.447 346 Q N 1.192 121.098 119.800 0.176 0.000 2.352 346 Q HA 0.083 4.423 4.340 -0.001 0.000 0.260 346 Q C 0.339 176.521 176.000 0.304 0.000 0.976 346 Q CA 0.247 56.184 55.803 0.223 0.000 0.881 346 Q CB 1.022 29.941 28.738 0.302 0.000 1.235 346 Q HN 0.293 nan 8.270 nan 0.000 0.419 347 N N 0.100 118.953 118.700 0.254 0.000 2.094 347 N HA -0.237 4.502 4.740 -0.001 0.000 0.191 347 N C 1.292 176.956 175.510 0.256 0.000 1.023 347 N CA 1.777 54.975 53.050 0.247 0.000 0.857 347 N CB -0.048 38.532 38.487 0.157 0.000 1.013 347 N HN 0.760 nan 8.380 nan 0.000 0.426 348 T N -1.414 113.289 114.554 0.249 0.000 2.881 348 T HA -0.150 4.200 4.350 -0.001 0.000 0.270 348 T C 1.626 176.518 174.700 0.320 0.000 1.068 348 T CA 1.039 63.306 62.100 0.279 0.000 1.131 348 T CB -0.184 68.844 68.868 0.265 0.000 0.871 348 T HN 0.312 nan 8.240 nan 0.000 0.479 349 E N -0.114 120.217 120.200 0.219 0.000 2.047 349 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 349 E C 1.815 178.312 176.600 -0.172 0.000 0.987 349 E CA 0.844 57.132 56.400 -0.186 0.000 0.799 349 E CB -0.263 29.152 29.700 -0.475 0.000 0.752 349 E HN 0.703 nan 8.360 nan 0.000 0.449 350 W N 1.753 122.956 121.300 -0.161 0.000 2.321 350 W HA -0.205 4.455 4.660 -0.001 0.000 0.306 350 W C 2.127 178.491 176.519 -0.259 0.000 1.217 350 W CA 1.342 58.493 57.345 -0.323 0.000 1.257 350 W CB -0.248 28.701 29.460 -0.853 0.000 1.145 350 W HN 0.196 nan 8.180 nan 0.000 0.509 351 D N -0.683 119.808 120.400 0.152 0.000 2.097 351 D HA -0.161 4.479 4.640 -0.001 0.000 0.197 351 D C 2.285 178.679 176.300 0.155 0.000 0.984 351 D CA 1.381 55.522 54.000 0.236 0.000 0.826 351 D CB -0.951 39.987 40.800 0.232 0.000 0.973 351 D HN 0.027 nan 8.370 nan 0.000 0.460 352 V N 0.951 120.936 119.914 0.119 0.000 2.427 352 V HA -0.193 3.927 4.120 -0.001 0.000 0.248 352 V C 2.195 178.319 176.094 0.051 0.000 1.051 352 V CA 1.506 63.855 62.300 0.082 0.000 1.048 352 V CB -0.048 31.872 31.823 0.162 0.000 0.666 352 V HN 0.137 nan 8.190 nan 0.000 0.456 353 Q N -0.301 119.562 119.800 0.105 0.000 2.049 353 Q HA -0.172 4.167 4.340 -0.001 0.000 0.198 353 Q C 2.342 178.541 176.000 0.333 0.000 0.971 353 Q CA 1.815 57.778 55.803 0.265 0.000 0.833 353 Q CB -0.447 28.406 28.738 0.192 0.000 0.896 353 Q HN 0.609 nan 8.270 nan 0.000 0.434 354 R N 0.493 121.159 120.500 0.278 0.000 2.066 354 R HA -0.088 4.251 4.340 -0.001 0.000 0.232 354 R C 2.233 178.716 176.300 0.306 0.000 1.131 354 R CA 1.241 57.568 56.100 0.377 0.000 0.955 354 R CB -0.039 30.494 30.300 0.389 0.000 0.851 354 R HN 0.053 nan 8.270 nan 0.000 0.432 355 V N 2.069 122.079 119.914 0.160 0.000 2.358 355 V HA -0.238 3.881 4.120 -0.001 0.000 0.246 355 V C 2.008 178.045 176.094 -0.095 0.000 1.047 355 V CA 1.870 64.204 62.300 0.057 0.000 1.035 355 V CB -0.624 31.221 31.823 0.038 0.000 0.658 355 V HN 0.437 nan 8.190 nan 0.000 0.452 356 N N -0.641 117.888 118.700 -0.284 0.000 2.120 356 N HA -0.172 4.568 4.740 -0.001 0.000 0.188 356 N C 1.865 177.056 175.510 -0.531 0.000 1.024 356 N CA 1.666 54.337 53.050 -0.633 0.000 0.852 356 N CB -0.341 37.167 38.487 -1.632 0.000 1.003 356 N HN 0.519 nan 8.380 nan 0.000 0.424 357 Y N 1.969 122.077 120.300 -0.321 0.000 2.224 357 Y HA -0.095 4.454 4.550 -0.001 0.000 0.289 357 Y C 2.387 177.751 175.900 -0.893 0.000 1.146 357 Y CA 1.081 58.859 58.100 -0.537 0.000 1.182 357 Y CB -0.148 38.097 38.460 -0.357 0.000 0.983 357 Y HN 0.141 nan 8.280 nan 0.000 0.524 358 E N -0.251 119.798 120.200 -0.251 0.000 2.118 358 E HA -0.233 4.116 4.350 -0.001 0.000 0.195 358 E C 2.222 178.768 176.600 -0.090 0.000 0.992 358 E CA 1.112 57.452 56.400 -0.100 0.000 0.804 358 E CB -0.141 29.631 29.700 0.121 0.000 0.741 358 E HN 0.467 nan 8.360 nan 0.000 0.458 359 R N 0.326 120.751 120.500 -0.126 0.000 2.081 359 R HA -0.102 4.238 4.340 -0.001 0.000 0.235 359 R C 2.461 178.725 176.300 -0.059 0.000 1.131 359 R CA 0.920 56.976 56.100 -0.075 0.000 0.960 359 R CB -0.279 29.958 30.300 -0.105 0.000 0.856 359 R HN 0.156 nan 8.270 nan 0.000 0.436 360 L N -0.400 120.717 121.223 -0.178 0.000 2.017 360 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 360 L C 2.144 179.051 176.870 0.062 0.000 1.073 360 L CA 1.155 55.926 54.840 -0.114 0.000 0.745 360 L CB -0.412 41.490 42.059 -0.260 0.000 0.894 360 L HN 0.077 nan 8.230 nan 0.000 0.432 361 F N 0.256 120.214 119.950 0.013 0.000 2.134 361 F HA -0.219 4.308 4.527 -0.001 0.000 0.299 361 F C 2.636 178.436 175.800 0.001 0.000 1.097 361 F CA 1.341 59.335 58.000 -0.009 0.000 1.264 361 F CB -0.978 37.976 39.000 -0.077 0.000 1.001 361 F HN 0.214 nan 8.300 nan 0.000 0.479 362 E N -0.704 119.621 120.200 0.209 0.000 2.051 362 E HA -0.289 4.061 4.350 -0.001 0.000 0.192 362 E C 2.214 178.896 176.600 0.138 0.000 0.991 362 E CA 1.519 58.004 56.400 0.141 0.000 0.799 362 E CB -0.246 29.521 29.700 0.113 0.000 0.748 362 E HN 0.509 nan 8.360 nan 0.000 0.449 363 H N 0.215 119.330 119.070 0.074 0.000 2.299 363 H HA -0.043 4.512 4.556 -0.001 0.000 0.302 363 H C 2.068 177.478 175.328 0.136 0.000 1.078 363 H CA 2.151 58.255 56.048 0.095 0.000 1.323 363 H CB -0.190 29.624 29.762 0.086 0.000 1.381 363 H HN 0.149 nan 8.280 nan 0.000 0.498 364 I N 0.483 121.115 120.570 0.103 0.000 2.163 364 I HA -0.308 3.861 4.170 -0.001 0.000 0.243 364 I C 1.695 177.833 176.117 0.034 0.000 1.085 364 I CA 1.445 62.748 61.300 0.005 0.000 1.347 364 I CB -0.299 37.631 38.000 -0.117 0.000 1.044 364 I HN 0.377 nan 8.210 nan 0.000 0.408 365 N N 0.272 118.984 118.700 0.021 0.000 2.381 365 N HA -0.110 4.629 4.740 -0.001 0.000 0.182 365 N C 1.838 177.332 175.510 -0.027 0.000 1.025 365 N CA 1.501 54.542 53.050 -0.016 0.000 0.888 365 N CB -0.269 38.200 38.487 -0.029 0.000 0.965 365 N HN 0.405 nan 8.380 nan 0.000 0.438 366 S N -0.908 114.772 115.700 -0.034 0.000 2.548 366 S HA 0.135 4.604 4.470 -0.001 0.000 0.215 366 S C 0.533 175.083 174.600 -0.082 0.000 0.976 366 S CA -0.142 58.029 58.200 -0.048 0.000 0.908 366 S CB 0.257 63.440 63.200 -0.029 0.000 0.781 366 S HN -0.011 nan 8.310 nan 0.000 0.519 367 Q N 1.273 121.001 119.800 -0.119 0.000 2.430 367 Q HA 0.543 4.882 4.340 -0.001 0.000 0.245 367 Q C 0.933 176.807 176.000 -0.210 0.000 1.021 367 Q CA 0.101 55.792 55.803 -0.185 0.000 0.867 367 Q CB 1.262 29.789 28.738 -0.352 0.000 1.210 367 Q HN 0.434 nan 8.270 nan 0.000 0.487 368 A N 2.765 125.523 122.820 -0.104 0.000 1.986 368 A HA -0.268 4.051 4.320 -0.001 0.000 0.220 368 A C 1.618 179.148 177.584 -0.090 0.000 1.171 368 A CA 2.175 54.171 52.037 -0.068 0.000 0.640 368 A CB -0.732 18.255 19.000 -0.022 0.000 0.811 368 A HN 0.897 nan 8.150 nan 0.000 0.451 369 H N -3.447 115.541 119.070 -0.136 0.000 2.489 369 H HA -0.041 4.515 4.556 -0.001 0.000 0.293 369 H C 1.373 176.635 175.328 -0.110 0.000 1.066 369 H CA 1.494 57.450 56.048 -0.154 0.000 1.305 369 H CB -0.556 29.058 29.762 -0.246 0.000 1.386 369 H HN 0.416 nan 8.280 nan 0.000 0.551 370 F N 0.960 120.618 119.950 -0.486 0.000 2.367 370 F HA 0.013 4.539 4.527 -0.001 0.000 0.298 370 F C 0.776 176.507 175.800 -0.114 0.000 1.094 370 F CA 0.644 58.485 58.000 -0.265 0.000 1.409 370 F CB -0.314 38.498 39.000 -0.314 0.000 1.064 370 F HN 0.177 nan 8.300 nan 0.000 0.528 371 N N 0.567 119.312 118.700 0.075 0.000 2.725 371 N HA -0.169 4.570 4.740 -0.001 0.000 0.251 371 N C -0.978 174.510 175.510 -0.036 0.000 1.031 371 N CA 0.453 53.530 53.050 0.045 0.000 0.720 371 N CB -1.525 37.039 38.487 0.128 0.000 0.930 371 N HN 0.037 nan 8.380 nan 0.000 0.543 372 V N 0.605 120.492 119.914 -0.044 0.000 2.735 372 V HA 0.399 4.519 4.120 -0.001 0.000 0.310 372 V C 0.155 176.166 176.094 -0.138 0.000 1.061 372 V CA -0.660 61.563 62.300 -0.128 0.000 0.913 372 V CB 2.456 34.224 31.823 -0.091 0.000 1.005 372 V HN 0.185 nan 8.190 nan 0.000 0.428 373 Q N 3.123 122.790 119.800 -0.222 0.000 2.339 373 Q HA 0.755 5.094 4.340 -0.001 0.000 0.268 373 Q C -0.820 174.931 176.000 -0.414 0.000 1.027 373 Q CA -0.148 55.498 55.803 -0.261 0.000 0.759 373 Q CB 1.656 30.244 28.738 -0.250 0.000 1.244 373 Q HN 0.991 nan 8.270 nan 0.000 0.464 374 A N 4.386 126.946 122.820 -0.432 0.000 2.350 374 A HA 0.902 5.221 4.320 -0.001 0.000 0.324 374 A C -1.207 175.701 177.584 -1.127 0.000 1.118 374 A CA -0.524 51.092 52.037 -0.701 0.000 0.783 374 A CB 1.226 20.006 19.000 -0.366 0.000 1.236 374 A HN 0.762 nan 8.150 nan 0.000 0.457 375 Q N 1.145 120.185 119.800 -1.266 0.000 2.575 375 Q HA 0.462 4.801 4.340 -0.001 0.000 0.290 375 Q C -1.640 173.910 176.000 -0.749 0.000 0.963 375 Q CA -0.708 54.368 55.803 -1.212 0.000 0.783 375 Q CB 0.528 28.935 28.738 -0.552 0.000 1.467 375 Q HN 0.382 nan 8.270 nan 0.000 0.402 376 F N 0.571 120.411 119.950 -0.182 0.000 2.518 376 F HA 0.603 5.129 4.527 -0.001 0.000 0.359 376 F C 1.235 177.075 175.800 0.067 0.000 1.118 376 F CA 1.390 59.425 58.000 0.058 0.000 1.287 376 F CB 0.831 39.927 39.000 0.160 0.000 1.132 376 F HN 0.736 nan 8.300 nan 0.000 0.587 377 G N 0.396 109.375 108.800 0.299 0.000 2.727 377 G HA2 0.619 4.578 3.960 -0.001 0.000 0.289 377 G HA3 0.619 4.578 3.960 -0.001 0.000 0.289 377 G C -1.073 173.831 174.900 0.005 0.000 1.418 377 G CA -0.668 44.548 45.100 0.193 0.000 0.818 377 G HN 0.708 nan 8.290 nan 0.000 0.486 378 T N -1.834 112.646 114.554 -0.123 0.000 2.948 378 T HA 0.461 4.811 4.350 -0.001 0.000 0.285 378 T C 1.288 175.834 174.700 -0.256 0.000 1.019 378 T CA -0.505 61.483 62.100 -0.187 0.000 1.013 378 T CB 1.545 70.318 68.868 -0.158 0.000 1.117 378 T HN 0.508 nan 8.240 nan 0.000 0.533 379 L N 0.604 121.674 121.223 -0.255 0.000 2.046 379 L HA 0.002 4.341 4.340 -0.001 0.000 0.208 379 L C 2.768 179.597 176.870 -0.068 0.000 1.077 379 L CA 2.022 56.741 54.840 -0.202 0.000 0.747 379 L CB -1.131 40.847 42.059 -0.135 0.000 0.896 379 L HN 0.905 nan 8.230 nan 0.000 0.432 380 Q N -0.144 119.643 119.800 -0.022 0.000 2.124 380 Q HA -0.216 4.123 4.340 -0.001 0.000 0.202 380 Q C 2.086 178.025 176.000 -0.103 0.000 0.977 380 Q CA 1.910 57.736 55.803 0.038 0.000 0.850 380 Q CB -0.179 28.553 28.738 -0.010 0.000 0.901 380 Q HN 0.622 nan 8.270 nan 0.000 0.429 381 E N -1.139 118.908 120.200 -0.255 0.000 2.085 381 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 381 E C 1.712 177.862 176.600 -0.749 0.000 0.994 381 E CA 1.246 57.364 56.400 -0.469 0.000 0.801 381 E CB -0.319 29.035 29.700 -0.576 0.000 0.743 381 E HN 0.485 nan 8.360 nan 0.000 0.453 382 Y N 0.598 120.358 120.300 -0.900 0.000 2.097 382 Y HA -0.280 4.269 4.550 -0.001 0.000 0.282 382 Y C 1.925 177.528 175.900 -0.495 0.000 1.152 382 Y CA 1.690 59.296 58.100 -0.824 0.000 1.136 382 Y CB -0.518 37.488 38.460 -0.757 0.000 0.975 382 Y HN -0.057 nan 8.280 nan 0.000 0.498 383 F N 0.886 120.577 119.950 -0.431 0.000 2.171 383 F HA -0.177 4.350 4.527 -0.001 0.000 0.300 383 F C 2.246 177.823 175.800 -0.371 0.000 1.090 383 F CA 1.735 59.465 58.000 -0.450 0.000 1.293 383 F CB -0.831 38.100 39.000 -0.115 0.000 1.013 383 F HN 0.104 nan 8.300 nan 0.000 0.486 384 D N 0.051 120.405 120.400 -0.077 0.000 2.123 384 D HA -0.164 4.475 4.640 -0.001 0.000 0.196 384 D C 2.359 178.585 176.300 -0.122 0.000 0.992 384 D CA 1.515 55.477 54.000 -0.064 0.000 0.833 384 D CB -0.598 40.152 40.800 -0.084 0.000 0.954 384 D HN 0.241 nan 8.370 nan 0.000 0.455 385 A N 0.469 123.158 122.820 -0.219 0.000 1.930 385 A HA -0.099 4.220 4.320 -0.001 0.000 0.217 385 A C 2.531 179.998 177.584 -0.195 0.000 1.175 385 A CA 0.957 52.910 52.037 -0.140 0.000 0.627 385 A CB -0.659 18.335 19.000 -0.011 0.000 0.815 385 A HN 0.134 nan 8.150 nan 0.000 0.443 386 V N -0.021 119.642 119.914 -0.417 0.000 2.287 386 V HA -0.272 3.847 4.120 -0.001 0.000 0.248 386 V C 2.442 178.352 176.094 -0.307 0.000 1.053 386 V CA 2.177 64.225 62.300 -0.420 0.000 1.027 386 V CB -1.027 30.361 31.823 -0.723 0.000 0.646 386 V HN 0.656 nan 8.190 nan 0.000 0.447 387 H N -0.263 118.692 119.070 -0.190 0.000 2.423 387 H HA -0.096 4.459 4.556 -0.001 0.000 0.297 387 H C 2.422 177.715 175.328 -0.058 0.000 1.075 387 H CA 1.463 57.429 56.048 -0.136 0.000 1.342 387 H CB -0.125 29.517 29.762 -0.201 0.000 1.395 387 H HN 0.551 nan 8.280 nan 0.000 0.530 388 Q N 0.366 120.186 119.800 0.034 0.000 2.096 388 Q HA -0.089 4.250 4.340 -0.001 0.000 0.204 388 Q C 2.579 178.598 176.000 0.031 0.000 0.982 388 Q CA 1.445 57.263 55.803 0.024 0.000 0.850 388 Q CB -0.050 28.691 28.738 0.006 0.000 0.901 388 Q HN 0.416 nan 8.270 nan 0.000 0.422 389 A N 0.991 123.824 122.820 0.023 0.000 1.902 389 A HA -0.268 4.051 4.320 -0.001 0.000 0.217 389 A C 1.947 179.561 177.584 0.050 0.000 1.181 389 A CA 1.635 53.698 52.037 0.043 0.000 0.623 389 A CB -0.569 18.461 19.000 0.050 0.000 0.818 389 A HN 0.448 nan 8.150 nan 0.000 0.443 390 E N -0.261 119.987 120.200 0.079 0.000 2.058 390 E HA -0.224 4.126 4.350 -0.001 0.000 0.194 390 E C 2.248 178.888 176.600 0.067 0.000 0.997 390 E CA 1.173 57.630 56.400 0.095 0.000 0.801 390 E CB -0.130 29.736 29.700 0.277 0.000 0.746 390 E HN 0.578 nan 8.360 nan 0.000 0.450 391 R N -0.317 120.225 120.500 0.070 0.000 2.148 391 R HA -0.045 4.295 4.340 -0.001 0.000 0.227 391 R C 2.103 178.422 176.300 0.031 0.000 1.103 391 R CA 0.855 56.982 56.100 0.046 0.000 0.983 391 R CB -0.128 30.194 30.300 0.037 0.000 0.874 391 R HN 0.123 nan 8.270 nan 0.000 0.451 392 A N 0.158 122.997 122.820 0.032 0.000 2.235 392 A HA 0.165 4.485 4.320 -0.001 0.000 0.208 392 A C 1.361 178.956 177.584 0.019 0.000 1.172 392 A CA 0.820 52.873 52.037 0.027 0.000 0.786 392 A CB -0.178 18.844 19.000 0.037 0.000 0.804 392 A HN 0.454 nan 8.150 nan 0.000 0.479 393 G N -0.425 108.382 108.800 0.013 0.000 2.143 393 G HA2 -0.379 3.581 3.960 -0.001 0.000 0.249 393 G HA3 -0.379 3.581 3.960 -0.001 0.000 0.249 393 G C 0.803 175.694 174.900 -0.015 0.000 0.981 393 G CA 0.781 45.879 45.100 -0.003 0.000 0.665 393 G HN 0.959 nan 8.290 nan 0.000 0.528 394 Q N -0.473 119.324 119.800 -0.005 0.000 2.389 394 Q HA 0.612 4.952 4.340 -0.001 0.000 0.204 394 Q C 0.933 176.904 176.000 -0.047 0.000 0.944 394 Q CA 1.442 57.244 55.803 -0.002 0.000 0.908 394 Q CB 0.252 29.026 28.738 0.060 0.000 1.002 394 Q HN 1.695 nan 8.270 nan 0.000 0.493 395 A N 0.953 123.701 122.820 -0.121 0.000 2.604 395 A HA 0.517 4.836 4.320 -0.001 0.000 0.295 395 A C -1.716 175.640 177.584 -0.380 0.000 1.067 395 A CA -0.920 50.951 52.037 -0.275 0.000 0.683 395 A CB 1.324 20.080 19.000 -0.406 0.000 1.281 395 A HN 0.406 nan 8.150 nan 0.000 0.407 396 E N 0.695 120.663 120.200 -0.386 0.000 2.238 396 E HA 0.767 5.116 4.350 -0.001 0.000 0.267 396 E C -1.663 174.736 176.600 -0.336 0.000 0.887 396 E CA -0.605 55.621 56.400 -0.289 0.000 0.769 396 E CB 1.749 31.403 29.700 -0.078 0.000 1.187 396 E HN 0.333 nan 8.360 nan 0.000 0.416 397 F N 1.718 121.772 119.950 0.173 0.000 2.458 397 F HA 0.422 4.949 4.527 -0.000 0.000 0.330 397 F C -1.871 174.029 175.800 0.167 0.000 1.082 397 F CA -2.362 55.763 58.000 0.209 0.000 0.995 397 F CB 1.177 40.381 39.000 0.340 0.000 1.170 397 F HN 0.362 nan 8.300 nan 0.000 0.478 398 P HA 0.170 nan 4.420 nan 0.000 0.274 398 P C -0.652 176.790 177.300 0.238 0.000 1.237 398 P CA -0.361 62.870 63.100 0.220 0.000 0.793 398 P CB 0.894 32.690 31.700 0.160 0.000 0.977 399 T N -0.330 114.315 114.554 0.152 0.000 2.907 399 T HA 0.669 5.018 4.350 -0.001 0.000 0.284 399 T C -0.275 174.456 174.700 0.051 0.000 1.004 399 T CA -0.802 61.379 62.100 0.136 0.000 1.063 399 T CB 1.023 69.949 68.868 0.097 0.000 0.992 399 T HN 0.455 nan 8.240 nan 0.000 0.483 400 L N 1.942 123.195 121.223 0.050 0.000 2.445 400 L HA 0.714 5.053 4.340 -0.001 0.000 0.262 400 L C -0.626 176.236 176.870 -0.013 0.000 0.974 400 L CA -0.410 54.348 54.840 -0.137 0.000 0.822 400 L CB 2.171 43.889 42.059 -0.568 0.000 1.339 400 L HN 1.106 nan 8.230 nan 0.000 0.409 401 S N 2.531 118.179 115.700 -0.087 0.000 2.632 401 S HA 1.065 5.534 4.470 -0.001 0.000 0.289 401 S C -0.287 174.241 174.600 -0.120 0.000 1.115 401 S CA -0.041 58.167 58.200 0.014 0.000 0.889 401 S CB 2.067 65.240 63.200 -0.046 0.000 1.116 401 S HN 1.656 nan 8.310 nan 0.000 0.486 402 G N 0.848 109.636 108.800 -0.020 0.000 2.331 402 G HA2 0.323 4.282 3.960 -0.001 0.000 0.479 402 G HA3 0.323 4.282 3.960 -0.001 0.000 0.479 402 G C -1.828 172.980 174.900 -0.154 0.000 1.262 402 G CA 0.002 44.991 45.100 -0.186 0.000 1.029 402 G HN 1.307 nan 8.290 nan 0.000 0.487 403 D N -1.715 118.456 120.400 -0.383 0.000 2.585 403 D HA 0.744 5.383 4.640 -0.001 0.000 0.254 403 D C -0.707 175.106 176.300 -0.811 0.000 1.067 403 D CA -1.032 52.767 54.000 -0.336 0.000 1.090 403 D CB 1.110 41.902 40.800 -0.014 0.000 1.408 403 D HN 0.396 nan 8.370 nan 0.000 0.554 404 F N -0.372 119.469 119.950 -0.182 0.000 2.679 404 F HA 0.403 4.929 4.527 -0.001 0.000 0.354 404 F C -0.931 174.710 175.800 -0.266 0.000 1.423 404 F CA -0.636 57.254 58.000 -0.184 0.000 1.141 404 F CB 0.168 39.088 39.000 -0.134 0.000 1.168 404 F HN 0.000 nan 8.300 nan 0.000 0.530 405 F N -0.688 119.452 119.950 0.317 0.000 2.546 405 F HA 0.571 5.098 4.527 -0.001 0.000 0.320 405 F C 0.551 176.618 175.800 0.445 0.000 1.076 405 F CA -1.382 56.871 58.000 0.420 0.000 0.928 405 F CB 1.690 40.928 39.000 0.395 0.000 1.189 405 F HN -0.282 nan 8.300 nan 0.000 0.465 406 T N 1.927 116.859 114.554 0.631 0.000 2.799 406 T HA 0.181 4.531 4.350 -0.001 0.000 0.286 406 T C -0.970 174.199 174.700 0.782 0.000 0.973 406 T CA -0.236 62.303 62.100 0.732 0.000 1.035 406 T CB 0.216 69.374 68.868 0.482 0.000 0.932 406 T HN 0.376 nan 8.240 nan 0.000 0.469 407 Y N 2.968 123.599 120.300 0.551 0.000 2.497 407 Y HA 0.413 4.962 4.550 -0.001 0.000 0.334 407 Y C -0.122 175.840 175.900 0.103 0.000 1.199 407 Y CA -1.002 57.253 58.100 0.258 0.000 1.425 407 Y CB 0.134 38.620 38.460 0.043 0.000 1.291 407 Y HN 0.678 nan 8.280 nan 0.000 0.562 408 A N 5.185 127.568 122.820 -0.728 0.000 2.374 408 A HA 0.355 4.675 4.320 -0.001 0.000 0.305 408 A C -0.003 176.963 177.584 -1.030 0.000 1.053 408 A CA -0.254 51.203 52.037 -0.966 0.000 0.726 408 A CB 0.707 18.885 19.000 -1.370 0.000 1.229 408 A HN 0.809 nan 8.150 nan 0.000 0.431 409 D N 1.611 121.557 120.400 -0.757 0.000 2.305 409 D HA 0.033 4.672 4.640 -0.001 0.000 0.206 409 D C 0.535 176.842 176.300 0.013 0.000 0.974 409 D CA 0.625 54.435 54.000 -0.318 0.000 0.871 409 D CB 0.165 40.907 40.800 -0.098 0.000 0.947 409 D HN 0.725 nan 8.370 nan 0.000 0.516 410 R N -2.206 118.245 120.500 -0.081 0.000 2.687 410 R HA 0.418 4.757 4.340 -0.001 0.000 0.265 410 R C -0.135 176.064 176.300 -0.168 0.000 1.048 410 R CA -0.228 55.673 56.100 -0.332 0.000 0.884 410 R CB 0.898 31.077 30.300 -0.203 0.000 1.258 410 R HN -0.098 nan 8.270 nan 0.000 0.469 411 S N 0.270 115.825 115.700 -0.241 0.000 3.927 411 S HA -0.293 4.176 4.470 -0.001 0.000 0.618 411 S C 0.426 175.113 174.600 0.145 0.000 2.201 411 S CA 1.953 60.156 58.200 0.005 0.000 4.160 411 S CB -1.063 62.121 63.200 -0.026 0.000 0.266 411 S HN 1.085 nan 8.310 nan 0.000 0.760 412 D N 1.423 121.893 120.400 0.118 0.000 2.427 412 D HA 0.193 4.832 4.640 -0.001 0.000 0.224 412 D C 0.015 176.416 176.300 0.168 0.000 1.157 412 D CA -0.140 53.996 54.000 0.227 0.000 0.828 412 D CB -1.468 39.453 40.800 0.203 0.000 0.974 412 D HN 0.510 nan 8.370 nan 0.000 0.498 413 N N 0.975 119.674 118.700 -0.001 0.000 2.739 413 N HA 0.051 4.790 4.740 -0.001 0.000 0.266 413 N C -0.904 174.612 175.510 0.010 0.000 1.168 413 N CA -0.317 52.734 53.050 0.002 0.000 1.055 413 N CB 0.153 38.627 38.487 -0.021 0.000 1.393 413 N HN 0.138 nan 8.380 nan 0.000 0.514 414 Y N 0.176 120.563 120.300 0.145 0.000 2.304 414 Y HA 0.101 4.651 4.550 -0.001 0.000 0.328 414 Y C 0.156 176.253 175.900 0.328 0.000 1.123 414 Y CA -0.618 57.636 58.100 0.255 0.000 1.218 414 Y CB 0.570 39.123 38.460 0.156 0.000 1.207 414 Y HN 0.403 nan 8.280 nan 0.000 0.495 415 W N 2.268 123.701 121.300 0.222 0.000 1.809 415 W HA 0.226 4.885 4.660 -0.001 0.000 0.399 415 W C 0.907 177.460 176.519 0.056 0.000 0.636 415 W CA -0.563 56.942 57.345 0.266 0.000 2.178 415 W CB -0.452 29.285 29.460 0.462 0.000 1.632 415 W HN 0.554 nan 8.180 nan 0.000 0.470 416 S N -2.119 113.601 115.700 0.034 0.000 2.535 416 S HA 0.114 4.583 4.470 -0.001 0.000 0.214 416 S C 1.976 176.291 174.600 -0.475 0.000 0.980 416 S CA 0.378 58.226 58.200 -0.587 0.000 0.907 416 S CB 0.104 63.284 63.200 -0.034 0.000 0.790 416 S HN 0.332 nan 8.310 nan 0.000 0.510 417 G N 2.032 110.758 108.800 -0.124 0.000 2.418 417 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.217 417 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.217 417 G C 1.263 176.139 174.900 -0.039 0.000 1.158 417 G CA 0.922 45.968 45.100 -0.090 0.000 0.771 417 G HN 0.805 nan 8.290 nan 0.000 0.545 418 Y N -0.522 119.754 120.300 -0.040 0.000 2.632 418 Y HA 0.164 4.713 4.550 -0.001 0.000 0.301 418 Y C 1.862 177.898 175.900 0.227 0.000 1.172 418 Y CA -0.366 57.795 58.100 0.100 0.000 1.328 418 Y CB -0.368 38.234 38.460 0.236 0.000 1.016 418 Y HN 0.178 nan 8.280 nan 0.000 0.529 419 Y N 0.680 120.774 120.300 -0.343 0.000 2.497 419 Y HA -0.049 4.500 4.550 -0.001 0.000 0.292 419 Y C 1.770 177.630 175.900 -0.065 0.000 1.137 419 Y CA 0.720 58.657 58.100 -0.272 0.000 1.285 419 Y CB -0.786 37.550 38.460 -0.207 0.000 0.991 419 Y HN 0.303 nan 8.280 nan 0.000 0.556 420 T N -2.667 111.962 114.554 0.125 0.000 2.954 420 T HA 0.081 4.431 4.350 -0.001 0.000 0.252 420 T C 0.710 175.505 174.700 0.157 0.000 0.983 420 T CA -0.069 62.105 62.100 0.125 0.000 0.941 420 T CB 0.019 68.928 68.868 0.069 0.000 1.141 420 T HN -0.062 nan 8.240 nan 0.000 0.500 421 S N 2.538 118.328 115.700 0.150 0.000 2.573 421 S HA 0.175 4.644 4.470 -0.001 0.000 0.297 421 S C 0.405 175.147 174.600 0.236 0.000 1.280 421 S CA -0.001 58.299 58.200 0.165 0.000 1.061 421 S CB 0.073 63.356 63.200 0.138 0.000 0.812 421 S HN 0.400 nan 8.310 nan 0.000 0.500 422 R N 1.081 121.736 120.500 0.260 0.000 3.146 422 R HA -0.123 4.217 4.340 -0.001 0.000 0.250 422 R C -2.027 174.534 176.300 0.435 0.000 0.912 422 R CA 0.661 56.992 56.100 0.385 0.000 0.633 422 R CB -1.805 28.749 30.300 0.424 0.000 1.180 422 R HN 0.501 nan 8.270 nan 0.000 0.464 423 P HA -0.211 nan 4.420 nan 0.000 0.223 423 P C 1.116 178.641 177.300 0.375 0.000 1.151 423 P CA 0.932 64.262 63.100 0.383 0.000 0.787 423 P CB -0.026 31.942 31.700 0.447 0.000 0.788 424 Y N 1.439 121.840 120.300 0.168 0.000 2.165 424 Y HA -0.262 4.287 4.550 -0.001 0.000 0.286 424 Y C 2.261 178.161 175.900 -0.001 0.000 1.155 424 Y CA 2.073 60.191 58.100 0.030 0.000 1.164 424 Y CB -0.883 37.461 38.460 -0.194 0.000 0.978 424 Y HN 0.069 nan 8.280 nan 0.000 0.513 425 H N -0.915 118.415 119.070 0.434 0.000 2.470 425 H HA 0.024 4.579 4.556 -0.001 0.000 0.289 425 H C 2.047 177.535 175.328 0.268 0.000 1.033 425 H CA 1.208 57.427 56.048 0.286 0.000 1.331 425 H CB -0.067 29.929 29.762 0.390 0.000 1.414 425 H HN 0.237 nan 8.280 nan 0.000 0.545 426 K N 0.403 121.041 120.400 0.396 0.000 2.063 426 K HA -0.175 4.145 4.320 -0.001 0.000 0.208 426 K C 2.253 178.923 176.600 0.117 0.000 1.048 426 K CA 1.339 57.794 56.287 0.282 0.000 0.928 426 K CB 0.050 32.693 32.500 0.239 0.000 0.713 426 K HN 0.037 nan 8.250 nan 0.000 0.442 427 R N 1.349 121.888 120.500 0.066 0.000 2.075 427 R HA -0.013 4.327 4.340 -0.001 0.000 0.232 427 R C 2.067 178.123 176.300 -0.407 0.000 1.126 427 R CA 1.452 57.515 56.100 -0.061 0.000 0.963 427 R CB -0.405 29.958 30.300 0.106 0.000 0.858 427 R HN 0.162 nan 8.270 nan 0.000 0.435 428 M N 0.257 119.476 119.600 -0.635 0.000 2.149 428 M HA -0.189 4.291 4.480 -0.001 0.000 0.261 428 M C 1.417 177.399 176.300 -0.529 0.000 1.064 428 M CA 2.374 57.059 55.300 -1.024 0.000 1.102 428 M CB -0.305 31.880 32.600 -0.692 0.000 1.369 428 M HN 0.281 nan 8.290 nan 0.000 0.408 429 D N -0.200 120.078 120.400 -0.203 0.000 2.116 429 D HA -0.221 4.418 4.640 -0.001 0.000 0.193 429 D C 1.891 178.122 176.300 -0.115 0.000 0.998 429 D CA 1.474 55.457 54.000 -0.028 0.000 0.836 429 D CB 0.124 41.059 40.800 0.225 0.000 0.951 429 D HN 0.223 nan 8.370 nan 0.000 0.449 430 R N 0.005 120.413 120.500 -0.153 0.000 2.115 430 R HA -0.007 4.332 4.340 -0.001 0.000 0.226 430 R C 2.415 178.581 176.300 -0.224 0.000 1.100 430 R CA 0.419 56.421 56.100 -0.163 0.000 0.980 430 R CB -0.901 29.320 30.300 -0.132 0.000 0.875 430 R HN 0.265 nan 8.270 nan 0.000 0.445 431 V N 1.486 121.194 119.914 -0.343 0.000 2.307 431 V HA -0.206 3.913 4.120 -0.001 0.000 0.245 431 V C 2.349 178.338 176.094 -0.175 0.000 1.045 431 V CA 1.444 63.540 62.300 -0.339 0.000 1.024 431 V CB -0.559 30.862 31.823 -0.670 0.000 0.651 431 V HN 0.135 nan 8.190 nan 0.000 0.449 432 L N -0.364 120.738 121.223 -0.202 0.000 2.093 432 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 432 L C 2.295 179.119 176.870 -0.077 0.000 1.085 432 L CA 1.967 56.758 54.840 -0.081 0.000 0.755 432 L CB -0.682 41.304 42.059 -0.122 0.000 0.904 432 L HN 0.326 nan 8.230 nan 0.000 0.435 433 M N -1.229 118.300 119.600 -0.119 0.000 2.082 433 M HA -0.336 4.143 4.480 -0.001 0.000 0.258 433 M C 2.384 178.591 176.300 -0.155 0.000 1.069 433 M CA 2.452 57.666 55.300 -0.144 0.000 1.102 433 M CB -0.417 32.067 32.600 -0.193 0.000 1.336 433 M HN 0.570 nan 8.290 nan 0.000 0.404 434 H N -0.751 118.165 119.070 -0.255 0.000 2.357 434 H HA -0.154 4.401 4.556 -0.001 0.000 0.301 434 H C 1.398 176.585 175.328 -0.235 0.000 1.082 434 H CA 2.336 58.207 56.048 -0.295 0.000 1.342 434 H CB -0.331 29.176 29.762 -0.425 0.000 1.389 434 H HN 0.491 nan 8.280 nan 0.000 0.511 435 Y N -0.602 119.559 120.300 -0.233 0.000 2.373 435 Y HA -0.093 4.457 4.550 -0.001 0.000 0.293 435 Y C 2.663 178.444 175.900 -0.199 0.000 1.129 435 Y CA 0.961 58.919 58.100 -0.236 0.000 1.226 435 Y CB -0.396 37.999 38.460 -0.107 0.000 1.000 435 Y HN 0.115 nan 8.280 nan 0.000 0.549 436 V N 0.193 120.082 119.914 -0.041 0.000 2.295 436 V HA -0.307 3.813 4.120 -0.001 0.000 0.246 436 V C 2.544 178.580 176.094 -0.098 0.000 1.049 436 V CA 2.167 64.426 62.300 -0.068 0.000 1.024 436 V CB -0.563 31.212 31.823 -0.080 0.000 0.648 436 V HN 0.308 nan 8.190 nan 0.000 0.447 437 R N 0.416 120.827 120.500 -0.149 0.000 2.083 437 R HA -0.192 4.147 4.340 -0.001 0.000 0.237 437 R C 2.254 178.498 176.300 -0.093 0.000 1.137 437 R CA 1.948 57.971 56.100 -0.129 0.000 0.951 437 R CB -0.502 29.708 30.300 -0.150 0.000 0.851 437 R HN 0.464 nan 8.270 nan 0.000 0.434 438 A N 0.561 123.278 122.820 -0.171 0.000 1.930 438 A HA -0.041 4.279 4.320 -0.001 0.000 0.217 438 A C 2.351 179.944 177.584 0.015 0.000 1.175 438 A CA 1.553 53.585 52.037 -0.009 0.000 0.627 438 A CB -0.683 18.285 19.000 -0.053 0.000 0.815 438 A HN 0.575 nan 8.150 nan 0.000 0.443 439 A N -0.161 122.657 122.820 -0.004 0.000 1.898 439 A HA -0.141 4.178 4.320 -0.001 0.000 0.216 439 A C 1.935 179.492 177.584 -0.046 0.000 1.181 439 A CA 1.510 53.538 52.037 -0.015 0.000 0.620 439 A CB -0.485 18.501 19.000 -0.024 0.000 0.819 439 A HN 0.609 nan 8.150 nan 0.000 0.442 440 E N -0.951 119.214 120.200 -0.058 0.000 2.077 440 E HA -0.205 4.145 4.350 -0.001 0.000 0.193 440 E C 2.056 178.605 176.600 -0.086 0.000 0.989 440 E CA 1.378 57.731 56.400 -0.078 0.000 0.800 440 E CB -0.256 29.396 29.700 -0.080 0.000 0.746 440 E HN 0.753 nan 8.360 nan 0.000 0.452 441 M N 0.708 120.281 119.600 -0.044 0.000 2.077 441 M HA -0.145 4.334 4.480 -0.001 0.000 0.261 441 M C 2.164 178.470 176.300 0.011 0.000 1.070 441 M CA 1.349 56.623 55.300 -0.043 0.000 1.125 441 M CB 0.036 32.709 32.600 0.122 0.000 1.339 441 M HN 0.067 nan 8.290 nan 0.000 0.409 442 L N 0.086 121.373 121.223 0.106 0.000 2.083 442 L HA -0.189 4.150 4.340 -0.001 0.000 0.209 442 L C 2.618 179.661 176.870 0.289 0.000 1.083 442 L CA 1.691 56.658 54.840 0.212 0.000 0.752 442 L CB -0.525 41.515 42.059 -0.032 0.000 0.899 442 L HN 0.519 nan 8.230 nan 0.000 0.433 443 S N -1.015 114.769 115.700 0.140 0.000 2.501 443 S HA 0.071 4.540 4.470 -0.001 0.000 0.220 443 S C 1.999 176.773 174.600 0.291 0.000 0.997 443 S CA 0.373 58.724 58.200 0.252 0.000 0.919 443 S CB -0.004 63.143 63.200 -0.088 0.000 0.778 443 S HN 0.291 nan 8.310 nan 0.000 0.523 444 A N 0.947 123.763 122.820 -0.007 0.000 2.019 444 A HA 0.058 4.378 4.320 -0.001 0.000 0.219 444 A C 1.700 179.174 177.584 -0.184 0.000 1.164 444 A CA 0.862 52.792 52.037 -0.177 0.000 0.644 444 A CB -1.191 17.553 19.000 -0.427 0.000 0.805 444 A HN 0.764 nan 8.150 nan 0.000 0.449 445 W N -0.714 120.602 121.300 0.026 0.000 2.392 445 W HA -0.012 4.647 4.660 -0.001 0.000 0.279 445 W C 0.847 177.156 176.519 -0.349 0.000 1.225 445 W CA 1.002 58.264 57.345 -0.139 0.000 1.233 445 W CB -0.145 29.194 29.460 -0.203 0.000 1.122 445 W HN 0.399 nan 8.180 nan 0.000 0.561 446 H N -2.279 116.852 119.070 0.102 0.000 2.731 446 H HA 0.369 4.925 4.556 -0.001 0.000 0.368 446 H C -0.289 174.945 175.328 -0.158 0.000 1.168 446 H CA -0.929 55.019 56.048 -0.166 0.000 1.181 446 H CB 1.577 30.993 29.762 -0.576 0.000 1.743 446 H HN -0.431 nan 8.280 nan 0.000 0.547 447 S N 0.920 116.587 115.700 -0.054 0.000 2.565 447 S HA 0.174 4.643 4.470 -0.001 0.000 0.274 447 S C -1.073 173.428 174.600 -0.165 0.000 1.309 447 S CA -0.552 57.636 58.200 -0.019 0.000 1.043 447 S CB 0.202 63.396 63.200 -0.009 0.000 0.939 447 S HN 0.328 nan 8.310 nan 0.000 0.504 448 W N 1.438 122.730 121.300 -0.013 0.000 2.632 448 W HA 0.342 5.002 4.660 -0.001 0.000 0.328 448 W C 0.046 176.512 176.519 -0.088 0.000 1.044 448 W CA -0.922 56.383 57.345 -0.065 0.000 1.225 448 W CB 0.516 29.898 29.460 -0.130 0.000 1.396 448 W HN 0.574 nan 8.180 nan 0.000 0.499 449 D N 0.843 121.313 120.400 0.115 0.000 2.506 449 D HA 0.112 4.751 4.640 -0.001 0.000 0.234 449 D C 1.676 177.973 176.300 -0.004 0.000 1.143 449 D CA 1.318 55.355 54.000 0.062 0.000 0.871 449 D CB 1.164 42.037 40.800 0.122 0.000 1.190 449 D HN 0.566 nan 8.370 nan 0.000 0.459 450 G N 3.055 111.862 108.800 0.012 0.000 2.475 450 G HA2 -0.261 3.698 3.960 -0.001 0.000 0.220 450 G HA3 -0.261 3.698 3.960 -0.001 0.000 0.220 450 G C 1.313 176.188 174.900 -0.041 0.000 1.125 450 G CA 0.482 45.576 45.100 -0.010 0.000 0.755 450 G HN 0.486 nan 8.290 nan 0.000 0.565 451 M N 0.975 120.567 119.600 -0.014 0.000 2.460 451 M HA 0.102 4.581 4.480 -0.001 0.000 0.263 451 M C 2.765 179.001 176.300 -0.105 0.000 1.071 451 M CA 0.790 56.110 55.300 0.033 0.000 1.096 451 M CB -0.834 31.887 32.600 0.202 0.000 1.408 451 M HN 0.322 nan 8.290 nan 0.000 0.463 452 A N -0.141 122.372 122.820 -0.513 0.000 2.119 452 A HA -0.027 4.292 4.320 -0.001 0.000 0.216 452 A C 1.260 178.638 177.584 -0.343 0.000 1.152 452 A CA 0.390 51.923 52.037 -0.839 0.000 0.708 452 A CB -0.306 17.988 19.000 -1.177 0.000 0.805 452 A HN 0.581 nan 8.150 nan 0.000 0.460 453 R N -1.705 118.666 120.500 -0.214 0.000 3.758 453 R HA -0.177 4.162 4.340 -0.001 0.000 0.299 453 R C 0.704 176.895 176.300 -0.181 0.000 1.182 453 R CA 0.731 56.748 56.100 -0.138 0.000 0.809 453 R CB -2.164 28.089 30.300 -0.079 0.000 1.249 453 R HN 0.481 nan 8.270 nan 0.000 0.497 454 I N 0.563 120.974 120.570 -0.266 0.000 2.163 454 I HA -0.206 3.964 4.170 -0.001 0.000 0.240 454 I C 2.135 178.130 176.117 -0.203 0.000 1.081 454 I CA 1.741 62.840 61.300 -0.335 0.000 1.353 454 I CB -0.661 36.998 38.000 -0.569 0.000 1.054 454 I HN 0.221 nan 8.210 nan 0.000 0.407 455 E N 0.738 120.856 120.200 -0.137 0.000 2.085 455 E HA -0.245 4.104 4.350 -0.001 0.000 0.194 455 E C 2.093 178.648 176.600 -0.075 0.000 0.994 455 E CA 1.341 57.689 56.400 -0.086 0.000 0.801 455 E CB -0.260 29.412 29.700 -0.047 0.000 0.743 455 E HN 0.500 nan 8.360 nan 0.000 0.453 456 E N 0.481 120.639 120.200 -0.070 0.000 2.051 456 E HA -0.258 4.092 4.350 -0.001 0.000 0.192 456 E C 1.948 178.509 176.600 -0.064 0.000 0.991 456 E CA 1.092 57.460 56.400 -0.053 0.000 0.799 456 E CB 0.081 29.755 29.700 -0.044 0.000 0.748 456 E HN -0.022 nan 8.360 nan 0.000 0.449 457 R N 0.329 120.778 120.500 -0.084 0.000 2.092 457 R HA 0.005 4.344 4.340 -0.001 0.000 0.231 457 R C 2.416 178.664 176.300 -0.087 0.000 1.119 457 R CA 0.951 57.002 56.100 -0.082 0.000 0.970 457 R CB -0.504 29.739 30.300 -0.096 0.000 0.864 457 R HN 0.284 nan 8.270 nan 0.000 0.440 458 L N -0.114 121.048 121.223 -0.102 0.000 2.093 458 L HA -0.118 4.221 4.340 -0.001 0.000 0.208 458 L C 2.368 179.181 176.870 -0.094 0.000 1.085 458 L CA 1.433 56.214 54.840 -0.099 0.000 0.755 458 L CB -0.425 41.569 42.059 -0.107 0.000 0.904 458 L HN 0.293 nan 8.230 nan 0.000 0.435 459 E N 0.182 120.330 120.200 -0.086 0.000 2.077 459 E HA -0.309 4.040 4.350 -0.001 0.000 0.193 459 E C 2.221 178.756 176.600 -0.108 0.000 0.989 459 E CA 1.406 57.749 56.400 -0.095 0.000 0.800 459 E CB -0.017 29.648 29.700 -0.058 0.000 0.746 459 E HN 0.422 nan 8.360 nan 0.000 0.452 460 Q N -0.029 119.725 119.800 -0.076 0.000 2.061 460 Q HA -0.219 4.121 4.340 -0.001 0.000 0.204 460 Q C 2.099 178.055 176.000 -0.072 0.000 0.984 460 Q CA 1.675 57.441 55.803 -0.062 0.000 0.846 460 Q CB -0.238 28.476 28.738 -0.041 0.000 0.902 460 Q HN 0.357 nan 8.270 nan 0.000 0.421 461 A N 1.067 123.843 122.820 -0.074 0.000 1.902 461 A HA -0.184 4.135 4.320 -0.001 0.000 0.217 461 A C 2.092 179.623 177.584 -0.090 0.000 1.181 461 A CA 1.468 53.464 52.037 -0.069 0.000 0.623 461 A CB -0.511 18.450 19.000 -0.065 0.000 0.818 461 A HN 0.372 nan 8.150 nan 0.000 0.443 462 R N -0.825 119.602 120.500 -0.123 0.000 2.096 462 R HA -0.080 4.259 4.340 -0.001 0.000 0.235 462 R C 2.433 178.594 176.300 -0.232 0.000 1.127 462 R CA 1.525 57.528 56.100 -0.161 0.000 0.968 462 R CB -0.263 29.928 30.300 -0.183 0.000 0.861 462 R HN 0.493 nan 8.270 nan 0.000 0.440 463 R N 0.267 120.601 120.500 -0.275 0.000 2.090 463 R HA -0.064 4.275 4.340 -0.001 0.000 0.228 463 R C 2.037 178.289 176.300 -0.081 0.000 1.110 463 R CA 0.909 56.787 56.100 -0.370 0.000 0.973 463 R CB 0.038 30.140 30.300 -0.330 0.000 0.869 463 R HN 0.194 nan 8.270 nan 0.000 0.440 464 E N 0.754 120.936 120.200 -0.029 0.000 2.107 464 E HA -0.155 4.194 4.350 -0.001 0.000 0.191 464 E C 1.965 178.610 176.600 0.074 0.000 0.982 464 E CA 0.697 57.124 56.400 0.046 0.000 0.809 464 E CB -0.179 29.538 29.700 0.028 0.000 0.756 464 E HN 0.151 nan 8.360 nan 0.000 0.459 465 L N 1.232 122.467 121.223 0.020 0.000 2.093 465 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 465 L C 2.152 179.077 176.870 0.092 0.000 1.085 465 L CA 1.545 56.415 54.840 0.051 0.000 0.755 465 L CB -0.541 41.511 42.059 -0.011 0.000 0.904 465 L HN -0.104 nan 8.230 nan 0.000 0.435 466 S N -0.407 115.312 115.700 0.031 0.000 2.368 466 S HA -0.175 4.295 4.470 -0.001 0.000 0.225 466 S C 1.841 176.589 174.600 0.247 0.000 1.030 466 S CA 1.528 59.776 58.200 0.081 0.000 0.999 466 S CB -0.577 62.567 63.200 -0.094 0.000 0.844 466 S HN 0.466 nan 8.310 nan 0.000 0.459 467 L N 0.733 122.145 121.223 0.315 0.000 2.042 467 L HA -0.036 4.303 4.340 -0.001 0.000 0.210 467 L C 1.877 178.861 176.870 0.191 0.000 1.076 467 L CA 1.649 56.668 54.840 0.299 0.000 0.749 467 L CB -0.624 41.583 42.059 0.247 0.000 0.893 467 L HN 0.282 nan 8.230 nan 0.000 0.432 468 F N -0.249 119.683 119.950 -0.031 0.000 2.451 468 F HA -0.141 4.386 4.527 -0.001 0.000 0.299 468 F C 2.199 177.929 175.800 -0.115 0.000 1.101 468 F CA 0.918 58.792 58.000 -0.209 0.000 1.436 468 F CB -0.219 38.694 39.000 -0.146 0.000 1.074 468 F HN 0.258 nan 8.300 nan 0.000 0.553 469 Q N -0.456 119.321 119.800 -0.038 0.000 2.436 469 Q HA -0.139 4.200 4.340 -0.001 0.000 0.209 469 Q C 0.561 176.509 176.000 -0.086 0.000 0.965 469 Q CA 0.459 56.213 55.803 -0.081 0.000 0.910 469 Q CB -1.288 27.471 28.738 0.035 0.000 0.980 469 Q HN 0.503 nan 8.270 nan 0.000 0.491 470 H N 1.992 120.963 119.070 -0.165 0.000 3.058 470 H HA -0.121 4.434 4.556 -0.001 0.000 0.347 470 H C 1.296 176.485 175.328 -0.231 0.000 1.087 470 H CA 0.796 56.745 56.048 -0.166 0.000 1.375 470 H CB 0.565 30.245 29.762 -0.137 0.000 1.312 470 H HN 0.239 nan 8.280 nan 0.000 0.607 471 H N 1.975 120.597 119.070 -0.746 0.000 2.562 471 H HA 0.009 4.564 4.556 -0.001 0.000 0.272 471 H C -0.338 174.583 175.328 -0.678 0.000 1.019 471 H CA 0.687 56.297 56.048 -0.729 0.000 1.160 471 H CB 0.281 29.602 29.762 -0.737 0.000 1.334 471 H HN 0.619 nan 8.280 nan 0.000 0.611 472 D N 0.399 120.117 120.400 -1.138 0.000 2.503 472 D HA 0.125 4.764 4.640 -0.001 0.000 0.218 472 D C 1.564 177.855 176.300 -0.015 0.000 1.183 472 D CA 0.273 54.155 54.000 -0.196 0.000 0.827 472 D CB 0.874 41.817 40.800 0.239 0.000 1.034 472 D HN 0.516 nan 8.370 nan 0.000 0.510 473 G N 1.361 109.923 108.800 -0.395 0.000 2.618 473 G HA2 -0.009 3.951 3.960 -0.001 0.000 0.222 473 G HA3 -0.009 3.951 3.960 -0.001 0.000 0.222 473 G C 1.351 175.613 174.900 -1.063 0.000 1.520 473 G CA -0.211 44.373 45.100 -0.860 0.000 0.930 473 G HN 0.191 nan 8.290 nan 0.000 0.547 474 I N 1.988 121.640 120.570 -1.531 0.000 2.423 474 I HA -0.195 3.974 4.170 -0.001 0.000 0.254 474 I C 2.888 178.906 176.117 -0.164 0.000 1.151 474 I CA 2.079 62.822 61.300 -0.928 0.000 1.421 474 I CB -0.038 37.624 38.000 -0.563 0.000 1.079 474 I HN 0.383 nan 8.210 nan 0.000 0.431 475 T N -1.697 112.815 114.554 -0.069 0.000 3.007 475 T HA 0.024 4.373 4.350 -0.001 0.000 0.270 475 T C 1.547 176.402 174.700 0.257 0.000 1.107 475 T CA 0.625 62.880 62.100 0.257 0.000 1.118 475 T CB -0.532 68.499 68.868 0.271 0.000 0.889 475 T HN 0.639 nan 8.240 nan 0.000 0.506 476 G N 1.499 110.404 108.800 0.175 0.000 2.176 476 G HA2 -0.270 3.690 3.960 -0.001 0.000 0.252 476 G HA3 -0.270 3.690 3.960 -0.001 0.000 0.252 476 G C 0.559 175.537 174.900 0.129 0.000 1.024 476 G CA 0.667 45.889 45.100 0.205 0.000 0.755 476 G HN 1.143 nan 8.290 nan 0.000 0.507 477 T N -3.396 111.229 114.554 0.118 0.000 3.215 477 T HA 0.735 5.085 4.350 -0.001 0.000 0.271 477 T C 0.893 175.787 174.700 0.325 0.000 1.012 477 T CA 1.024 63.124 62.100 0.001 0.000 0.899 477 T CB 0.961 69.663 68.868 -0.276 0.000 1.089 477 T HN 1.551 nan 8.240 nan 0.000 0.552 478 A N 1.284 124.309 122.820 0.342 0.000 2.256 478 A HA 0.682 5.001 4.320 -0.001 0.000 0.318 478 A C 0.216 177.888 177.584 0.147 0.000 1.103 478 A CA -0.934 51.330 52.037 0.378 0.000 0.860 478 A CB 0.829 20.088 19.000 0.431 0.000 1.182 478 A HN 0.400 nan 8.150 nan 0.000 0.501 479 K N -0.199 120.209 120.400 0.013 0.000 2.276 479 K HA 0.144 4.463 4.320 -0.001 0.000 0.259 479 K C 1.100 177.699 176.600 -0.000 0.000 1.001 479 K CA 0.365 56.643 56.287 -0.015 0.000 0.927 479 K CB 0.367 32.844 32.500 -0.038 0.000 0.969 479 K HN 0.741 nan 8.250 nan 0.000 0.490 480 T N 1.363 115.950 114.554 0.054 0.000 2.653 480 T HA -0.212 4.137 4.350 -0.001 0.000 0.268 480 T C 1.663 176.395 174.700 0.053 0.000 1.035 480 T CA 1.874 64.012 62.100 0.064 0.000 1.154 480 T CB -0.423 68.492 68.868 0.079 0.000 0.862 480 T HN 0.693 nan 8.240 nan 0.000 0.441 481 H N 0.441 119.504 119.070 -0.011 0.000 2.495 481 H HA 0.111 4.666 4.556 -0.001 0.000 0.287 481 H C 2.007 177.310 175.328 -0.042 0.000 1.033 481 H CA 0.839 56.874 56.048 -0.021 0.000 1.307 481 H CB -0.712 29.032 29.762 -0.030 0.000 1.401 481 H HN 0.281 nan 8.280 nan 0.000 0.555 482 V N 1.099 120.661 119.914 -0.587 0.000 2.488 482 V HA -0.149 3.971 4.120 -0.001 0.000 0.246 482 V C 2.990 178.902 176.094 -0.303 0.000 1.046 482 V CA 0.986 62.972 62.300 -0.524 0.000 1.053 482 V CB -0.322 31.235 31.823 -0.443 0.000 0.679 482 V HN 0.223 nan 8.190 nan 0.000 0.458 483 V N 0.087 119.957 119.914 -0.075 0.000 2.332 483 V HA -0.237 3.882 4.120 -0.001 0.000 0.248 483 V C 2.459 178.542 176.094 -0.018 0.000 1.055 483 V CA 1.984 64.302 62.300 0.029 0.000 1.038 483 V CB -0.493 31.311 31.823 -0.033 0.000 0.651 483 V HN 0.422 nan 8.190 nan 0.000 0.450 484 V N 0.365 120.274 119.914 -0.009 0.000 2.343 484 V HA -0.296 3.823 4.120 -0.001 0.000 0.247 484 V C 2.296 178.413 176.094 0.038 0.000 1.051 484 V CA 2.401 64.728 62.300 0.045 0.000 1.036 484 V CB -0.701 31.156 31.823 0.057 0.000 0.654 484 V HN 0.640 nan 8.190 nan 0.000 0.451 485 D N -0.992 119.385 120.400 -0.038 0.000 2.117 485 D HA -0.206 4.433 4.640 -0.001 0.000 0.197 485 D C 2.003 178.321 176.300 0.030 0.000 0.987 485 D CA 1.504 55.479 54.000 -0.041 0.000 0.829 485 D CB -0.159 40.556 40.800 -0.142 0.000 0.961 485 D HN 0.482 nan 8.370 nan 0.000 0.460 486 Y N 0.989 121.338 120.300 0.081 0.000 2.181 486 Y HA -0.067 4.482 4.550 -0.001 0.000 0.288 486 Y C 2.442 178.331 175.900 -0.017 0.000 1.146 486 Y CA 1.291 59.438 58.100 0.079 0.000 1.164 486 Y CB -0.813 37.771 38.460 0.206 0.000 0.982 486 Y HN 0.149 nan 8.280 nan 0.000 0.515 487 E N 0.093 120.406 120.200 0.190 0.000 2.051 487 E HA -0.261 4.088 4.350 -0.001 0.000 0.192 487 E C 2.017 178.709 176.600 0.154 0.000 0.991 487 E CA 1.485 58.014 56.400 0.216 0.000 0.799 487 E CB -0.059 29.855 29.700 0.356 0.000 0.748 487 E HN 0.575 nan 8.360 nan 0.000 0.449 488 Q N -0.081 119.794 119.800 0.125 0.000 2.084 488 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 488 Q C 2.346 178.393 176.000 0.078 0.000 0.978 488 Q CA 1.374 57.234 55.803 0.094 0.000 0.844 488 Q CB -0.094 28.689 28.738 0.075 0.000 0.898 488 Q HN 0.204 nan 8.270 nan 0.000 0.426 489 R N 0.098 120.649 120.500 0.086 0.000 2.073 489 R HA -0.070 4.269 4.340 -0.001 0.000 0.234 489 R C 2.283 178.611 176.300 0.046 0.000 1.134 489 R CA 1.459 57.602 56.100 0.073 0.000 0.952 489 R CB -0.166 30.201 30.300 0.113 0.000 0.850 489 R HN 0.293 nan 8.270 nan 0.000 0.433 490 M N 0.292 119.909 119.600 0.029 0.000 2.229 490 M HA -0.186 4.293 4.480 -0.001 0.000 0.264 490 M C 2.173 178.479 176.300 0.010 0.000 1.063 490 M CA 1.602 56.889 55.300 -0.022 0.000 1.114 490 M CB -0.185 32.341 32.600 -0.122 0.000 1.387 490 M HN 0.218 nan 8.290 nan 0.000 0.420 491 Q N 0.032 119.867 119.800 0.058 0.000 2.084 491 Q HA -0.175 4.165 4.340 -0.001 0.000 0.202 491 Q C 1.952 177.974 176.000 0.036 0.000 0.978 491 Q CA 1.085 56.933 55.803 0.075 0.000 0.844 491 Q CB -0.051 28.747 28.738 0.101 0.000 0.898 491 Q HN 0.416 nan 8.270 nan 0.000 0.426 492 E N 0.432 120.650 120.200 0.029 0.000 2.106 492 E HA -0.142 4.208 4.350 -0.001 0.000 0.192 492 E C 1.913 178.509 176.600 -0.006 0.000 0.984 492 E CA 1.074 57.482 56.400 0.012 0.000 0.806 492 E CB -0.222 29.488 29.700 0.017 0.000 0.750 492 E HN 0.348 nan 8.360 nan 0.000 0.458 493 A N 1.172 123.987 122.820 -0.009 0.000 1.902 493 A HA -0.135 4.184 4.320 -0.001 0.000 0.217 493 A C 2.395 179.956 177.584 -0.039 0.000 1.181 493 A CA 1.057 53.078 52.037 -0.027 0.000 0.623 493 A CB -0.711 18.271 19.000 -0.029 0.000 0.818 493 A HN 0.185 nan 8.150 nan 0.000 0.443 494 L N -0.637 120.563 121.223 -0.039 0.000 2.046 494 L HA -0.225 4.115 4.340 -0.001 0.000 0.208 494 L C 2.589 179.402 176.870 -0.095 0.000 1.077 494 L CA 1.753 56.547 54.840 -0.076 0.000 0.747 494 L CB -0.434 41.590 42.059 -0.058 0.000 0.896 494 L HN 0.362 nan 8.230 nan 0.000 0.432 495 K N -0.036 120.332 120.400 -0.053 0.000 2.057 495 K HA -0.163 4.157 4.320 -0.001 0.000 0.207 495 K C 2.238 178.810 176.600 -0.047 0.000 1.049 495 K CA 1.392 57.652 56.287 -0.046 0.000 0.931 495 K CB -0.281 32.206 32.500 -0.021 0.000 0.714 495 K HN 0.302 nan 8.250 nan 0.000 0.440 496 A N 1.105 123.898 122.820 -0.045 0.000 1.902 496 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 496 A C 2.442 179.991 177.584 -0.058 0.000 1.181 496 A CA 1.459 53.467 52.037 -0.049 0.000 0.623 496 A CB -0.955 18.015 19.000 -0.049 0.000 0.818 496 A HN 0.405 nan 8.150 nan 0.000 0.443 497 C N -1.003 118.259 119.300 -0.063 0.000 2.429 497 C HA -0.123 4.336 4.460 -0.001 0.000 0.277 497 C C 2.871 177.831 174.990 -0.050 0.000 1.262 497 C CA 1.282 60.267 59.018 -0.055 0.000 1.733 497 C CB -1.271 26.445 27.740 -0.040 0.000 2.010 497 C HN 0.794 nan 8.230 nan 0.000 0.483 498 Q N 0.181 119.926 119.800 -0.091 0.000 2.084 498 Q HA -0.271 4.068 4.340 -0.001 0.000 0.202 498 Q C 2.163 178.188 176.000 0.042 0.000 0.978 498 Q CA 1.940 57.713 55.803 -0.051 0.000 0.844 498 Q CB -0.261 28.420 28.738 -0.095 0.000 0.898 498 Q HN 0.573 nan 8.270 nan 0.000 0.426 499 M N -0.120 119.485 119.600 0.009 0.000 2.086 499 M HA -0.135 4.345 4.480 -0.001 0.000 0.261 499 M C 1.863 178.171 176.300 0.012 0.000 1.067 499 M CA 1.574 56.889 55.300 0.025 0.000 1.116 499 M CB -0.524 32.073 32.600 -0.005 0.000 1.348 499 M HN 0.137 nan 8.290 nan 0.000 0.407 500 V N 0.189 120.071 119.914 -0.052 0.000 2.343 500 V HA -0.302 3.817 4.120 -0.001 0.000 0.247 500 V C 2.449 178.506 176.094 -0.062 0.000 1.051 500 V CA 2.187 64.404 62.300 -0.138 0.000 1.036 500 V CB -0.726 30.994 31.823 -0.173 0.000 0.654 500 V HN 0.549 nan 8.190 nan 0.000 0.451 501 M N 0.237 119.863 119.600 0.043 0.000 2.086 501 M HA -0.253 4.227 4.480 -0.001 0.000 0.261 501 M C 2.388 178.768 176.300 0.133 0.000 1.067 501 M CA 2.350 57.732 55.300 0.136 0.000 1.116 501 M CB -0.449 32.351 32.600 0.333 0.000 1.348 501 M HN 0.548 nan 8.290 nan 0.000 0.407 502 Q N -0.232 119.720 119.800 0.253 0.000 2.123 502 Q HA -0.124 4.215 4.340 -0.001 0.000 0.199 502 Q C 1.812 178.012 176.000 0.333 0.000 0.966 502 Q CA 1.138 57.120 55.803 0.299 0.000 0.845 502 Q CB -0.610 28.400 28.738 0.454 0.000 0.907 502 Q HN 0.411 nan 8.270 nan 0.000 0.439 503 Q N 0.569 120.545 119.800 0.293 0.000 2.124 503 Q HA -0.060 4.280 4.340 -0.001 0.000 0.202 503 Q C 2.257 178.511 176.000 0.423 0.000 0.977 503 Q CA 1.667 57.715 55.803 0.408 0.000 0.850 503 Q CB -0.165 28.718 28.738 0.241 0.000 0.901 503 Q HN 0.510 nan 8.270 nan 0.000 0.429 504 S N 0.377 116.211 115.700 0.223 0.000 2.368 504 S HA -0.089 4.380 4.470 -0.001 0.000 0.224 504 S C 2.215 176.863 174.600 0.080 0.000 1.029 504 S CA 1.038 59.416 58.200 0.296 0.000 0.988 504 S CB -0.210 63.098 63.200 0.180 0.000 0.838 504 S HN 0.132 nan 8.310 nan 0.000 0.462 505 V N 0.860 120.698 119.914 -0.126 0.000 2.343 505 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 505 V C 2.016 178.083 176.094 -0.044 0.000 1.051 505 V CA 1.865 63.958 62.300 -0.345 0.000 1.036 505 V CB -0.794 30.398 31.823 -1.053 0.000 0.654 505 V HN 0.554 nan 8.190 nan 0.000 0.451 506 Y N 1.293 121.650 120.300 0.095 0.000 2.165 506 Y HA -0.256 4.293 4.550 -0.001 0.000 0.286 506 Y C 2.720 178.674 175.900 0.089 0.000 1.155 506 Y CA 2.225 60.448 58.100 0.205 0.000 1.164 506 Y CB -0.321 38.167 38.460 0.046 0.000 0.978 506 Y HN 0.105 nan 8.280 nan 0.000 0.513 507 R N -0.242 120.125 120.500 -0.221 0.000 2.090 507 R HA -0.064 4.276 4.340 -0.001 0.000 0.228 507 R C 2.140 178.101 176.300 -0.565 0.000 1.110 507 R CA 1.395 57.009 56.100 -0.810 0.000 0.973 507 R CB -0.328 29.497 30.300 -0.791 0.000 0.869 507 R HN 0.443 nan 8.270 nan 0.000 0.440 508 L N 0.292 121.333 121.223 -0.303 0.000 2.291 508 L HA -0.056 4.283 4.340 -0.001 0.000 0.214 508 L C 1.350 178.090 176.870 -0.217 0.000 1.120 508 L CA 0.808 55.434 54.840 -0.358 0.000 0.799 508 L CB 0.143 41.836 42.059 -0.611 0.000 0.925 508 L HN 0.233 nan 8.230 nan 0.000 0.446 509 L N -1.249 119.944 121.223 -0.049 0.000 3.168 509 L HA 0.227 4.566 4.340 -0.001 0.000 0.277 509 L C -0.266 176.688 176.870 0.139 0.000 1.245 509 L CA -0.109 54.803 54.840 0.121 0.000 1.035 509 L CB 0.559 42.843 42.059 0.375 0.000 1.399 509 L HN -0.013 nan 8.230 nan 0.000 0.580 510 T N -0.008 114.535 114.554 -0.019 0.000 2.841 510 T HA 0.191 4.540 4.350 -0.001 0.000 0.283 510 T C -0.156 174.477 174.700 -0.111 0.000 1.000 510 T CA -0.572 61.509 62.100 -0.031 0.000 0.977 510 T CB 2.414 71.231 68.868 -0.086 0.000 0.979 510 T HN 0.014 nan 8.240 nan 0.000 0.446 511 K N 3.816 124.167 120.400 -0.083 0.000 2.491 511 K HA -0.006 4.313 4.320 -0.001 0.000 0.279 511 K C -1.699 174.874 176.600 -0.045 0.000 1.026 511 K CA -1.103 55.143 56.287 -0.068 0.000 1.070 511 K CB 0.447 32.914 32.500 -0.056 0.000 0.887 511 K HN 0.176 nan 8.250 nan 0.000 0.481 512 P HA -0.191 nan 4.420 nan 0.000 0.216 512 P C 0.716 178.029 177.300 0.021 0.000 1.150 512 P CA 1.383 64.461 63.100 -0.037 0.000 0.843 512 P CB 0.160 31.832 31.700 -0.047 0.000 0.787 513 S N -2.228 113.477 115.700 0.007 0.000 2.607 513 S HA 0.074 4.543 4.470 -0.001 0.000 0.224 513 S C 1.604 176.218 174.600 0.022 0.000 0.969 513 S CA 0.434 58.642 58.200 0.013 0.000 0.927 513 S CB -1.061 62.139 63.200 0.001 0.000 0.772 513 S HN 0.114 nan 8.310 nan 0.000 0.533 514 I N -0.887 119.705 120.570 0.037 0.000 4.032 514 I HA 0.220 4.390 4.170 -0.001 0.000 0.313 514 I C 0.455 176.625 176.117 0.089 0.000 1.272 514 I CA -0.440 60.891 61.300 0.052 0.000 1.307 514 I CB -0.025 38.003 38.000 0.047 0.000 1.155 514 I HN 0.249 nan 8.210 nan 0.000 0.431 515 Y N 3.001 123.255 120.300 -0.076 0.000 2.802 515 Y HA -0.039 4.510 4.550 -0.001 0.000 0.333 515 Y C 0.469 176.342 175.900 -0.044 0.000 1.244 515 Y CA 0.010 58.023 58.100 -0.146 0.000 1.558 515 Y CB 0.389 38.692 38.460 -0.261 0.000 1.233 515 Y HN -0.108 nan 8.280 nan 0.000 0.547 516 S N 8.828 124.334 115.700 -0.323 0.000 2.293 516 S HA 0.366 4.835 4.470 -0.001 0.000 0.154 516 S C -2.884 171.520 174.600 -0.327 0.000 1.602 516 S CA -1.192 56.818 58.200 -0.317 0.000 1.260 516 S CB -0.070 63.075 63.200 -0.091 0.000 1.270 516 S HN 0.638 nan 8.310 nan 0.000 0.416 517 P HA 0.323 nan 4.420 nan 0.000 0.279 517 P C -1.128 175.827 177.300 -0.575 0.000 1.239 517 P CA -0.208 62.637 63.100 -0.424 0.000 0.789 517 P CB 0.798 32.177 31.700 -0.535 0.000 0.933 518 D N 2.213 122.328 120.400 -0.475 0.000 2.303 518 D HA 0.149 4.788 4.640 -0.001 0.000 0.236 518 D C 0.264 176.344 176.300 -0.366 0.000 1.068 518 D CA -0.559 52.987 54.000 -0.756 0.000 0.830 518 D CB 0.611 40.432 40.800 -1.631 0.000 1.109 518 D HN 0.070 nan 8.370 nan 0.000 0.496 519 F N 1.561 121.474 119.950 -0.060 0.000 2.771 519 F HA -0.065 4.461 4.527 -0.001 0.000 0.299 519 F C 2.458 178.287 175.800 0.048 0.000 1.177 519 F CA 0.310 58.347 58.000 0.062 0.000 1.450 519 F CB -0.318 38.724 39.000 0.070 0.000 1.114 519 F HN 0.318 nan 8.300 nan 0.000 0.587 520 S N -1.593 114.202 115.700 0.158 0.000 2.524 520 S HA 0.132 4.601 4.470 -0.001 0.000 0.215 520 S C 0.486 175.241 174.600 0.258 0.000 0.986 520 S CA -0.259 58.049 58.200 0.180 0.000 0.911 520 S CB -0.486 62.810 63.200 0.160 0.000 0.805 520 S HN -0.074 nan 8.310 nan 0.000 0.501 521 F N 2.937 122.800 119.950 -0.145 0.000 2.418 521 F HA 0.542 5.068 4.527 -0.001 0.000 0.341 521 F C 0.988 176.502 175.800 -0.477 0.000 1.120 521 F CA -1.777 55.981 58.000 -0.403 0.000 1.232 521 F CB 1.144 39.694 39.000 -0.749 0.000 1.175 521 F HN 0.094 nan 8.300 nan 0.000 0.569 522 S N 3.067 118.546 115.700 -0.368 0.000 2.466 522 S HA 0.263 4.732 4.470 -0.001 0.000 0.313 522 S C 0.511 174.793 174.600 -0.530 0.000 1.078 522 S CA -0.414 57.603 58.200 -0.306 0.000 1.115 522 S CB -0.362 62.709 63.200 -0.214 0.000 1.006 522 S HN 0.429 nan 8.310 nan 0.000 0.487 523 Y N 3.895 124.052 120.300 -0.238 0.000 2.337 523 Y HA 0.311 4.860 4.550 -0.001 0.000 0.293 523 Y C 0.286 175.640 175.900 -0.911 0.000 1.123 523 Y CA 0.436 58.157 58.100 -0.631 0.000 1.201 523 Y CB 0.176 38.312 38.460 -0.541 0.000 1.011 523 Y HN 0.579 nan 8.280 nan 0.000 0.545 524 F N -1.282 118.659 119.950 -0.016 0.000 2.603 524 F HA 0.500 5.027 4.527 -0.001 0.000 0.317 524 F C -0.045 175.816 175.800 0.101 0.000 1.066 524 F CA -1.473 56.574 58.000 0.078 0.000 0.941 524 F CB 1.658 40.836 39.000 0.298 0.000 1.291 524 F HN -0.391 nan 8.300 nan 0.000 0.472 525 T N -0.208 114.531 114.554 0.308 0.000 2.885 525 T HA 0.717 5.066 4.350 -0.001 0.000 0.285 525 T C -0.685 174.126 174.700 0.185 0.000 1.019 525 T CA -0.856 61.358 62.100 0.189 0.000 1.010 525 T CB 1.317 70.234 68.868 0.081 0.000 1.022 525 T HN 0.507 nan 8.240 nan 0.000 0.466 526 L N 1.873 123.111 121.223 0.025 0.000 2.426 526 L HA 0.430 4.770 4.340 -0.001 0.000 0.271 526 L C 0.081 176.924 176.870 -0.045 0.000 1.169 526 L CA -0.289 54.467 54.840 -0.140 0.000 0.836 526 L CB 0.649 42.543 42.059 -0.274 0.000 1.112 526 L HN 0.807 nan 8.230 nan 0.000 0.465 527 D N 1.619 121.998 120.400 -0.036 0.000 2.408 527 D HA 0.226 4.865 4.640 -0.001 0.000 0.243 527 D C -1.281 174.966 176.300 -0.088 0.000 1.075 527 D CA -0.387 53.590 54.000 -0.037 0.000 0.832 527 D CB 1.188 42.005 40.800 0.030 0.000 1.162 527 D HN 0.294 nan 8.370 nan 0.000 0.515 528 D N 2.421 122.779 120.400 -0.071 0.000 2.549 528 D HA 0.194 4.833 4.640 -0.001 0.000 0.251 528 D C 0.044 176.298 176.300 -0.077 0.000 1.153 528 D CA -0.463 53.527 54.000 -0.017 0.000 0.861 528 D CB 1.932 42.814 40.800 0.136 0.000 1.207 528 D HN 0.256 nan 8.370 nan 0.000 0.543 529 S N 2.611 118.241 115.700 -0.118 0.000 2.489 529 S HA 0.029 4.498 4.470 -0.001 0.000 0.228 529 S C 1.370 175.931 174.600 -0.064 0.000 0.995 529 S CA 0.541 58.660 58.200 -0.136 0.000 0.934 529 S CB 0.382 63.492 63.200 -0.150 0.000 0.771 529 S HN 0.491 nan 8.310 nan 0.000 0.522 530 R N -0.697 119.798 120.500 -0.007 0.000 2.535 530 R HA 0.222 4.561 4.340 -0.001 0.000 0.323 530 R C -0.662 175.719 176.300 0.134 0.000 0.979 530 R CA -0.103 56.016 56.100 0.031 0.000 1.120 530 R CB 0.795 31.105 30.300 0.017 0.000 1.306 530 R HN 0.331 nan 8.270 nan 0.000 0.540 531 W N 1.390 122.654 121.300 -0.059 0.000 3.211 531 W HA 0.294 4.953 4.660 -0.001 0.000 0.335 531 W C -2.891 173.605 176.519 -0.039 0.000 1.113 531 W CA -1.982 55.329 57.345 -0.057 0.000 1.235 531 W CB 1.839 31.277 29.460 -0.036 0.000 1.365 531 W HN -0.191 nan 8.180 nan 0.000 0.476 532 P HA 0.098 nan 4.420 nan 0.000 0.230 532 P C 0.373 177.309 177.300 -0.607 0.000 1.158 532 P CA 1.620 63.861 63.100 -1.431 0.000 0.769 532 P CB 0.272 31.364 31.700 -1.013 0.000 0.807 533 G N -0.691 107.927 108.800 -0.303 0.000 2.650 533 G HA2 -0.067 3.892 3.960 -0.001 0.000 0.686 533 G HA3 -0.067 3.892 3.960 -0.001 0.000 0.686 533 G C -0.332 174.503 174.900 -0.109 0.000 1.205 533 G CA -0.442 44.569 45.100 -0.150 0.000 0.781 533 G HN 0.175 nan 8.290 nan 0.000 0.648 534 S N 0.258 115.934 115.700 -0.040 0.000 2.549 534 S HA 0.531 5.001 4.470 -0.001 0.000 0.286 534 S C 1.906 176.497 174.600 -0.014 0.000 1.314 534 S CA 1.851 60.057 58.200 0.010 0.000 1.062 534 S CB 0.497 63.743 63.200 0.078 0.000 0.865 534 S HN 2.770 nan 8.310 nan 0.000 0.498 535 G N 2.603 111.395 108.800 -0.013 0.000 2.179 535 G HA2 -0.252 3.707 3.960 -0.001 0.000 0.260 535 G HA3 -0.252 3.707 3.960 -0.001 0.000 0.260 535 G C 0.587 175.458 174.900 -0.048 0.000 0.977 535 G CA 0.425 45.507 45.100 -0.030 0.000 0.641 535 G HN 1.008 nan 8.290 nan 0.000 0.533 536 V N -0.574 119.295 119.914 -0.076 0.000 2.690 536 V HA 0.468 4.587 4.120 -0.001 0.000 0.240 536 V C 0.758 176.789 176.094 -0.105 0.000 1.078 536 V CA 1.792 64.031 62.300 -0.102 0.000 1.102 536 V CB 0.901 32.625 31.823 -0.165 0.000 0.800 536 V HN 0.520 nan 8.190 nan 0.000 0.479 537 E N 0.075 120.207 120.200 -0.114 0.000 2.347 537 E HA 0.156 4.505 4.350 -0.001 0.000 0.285 537 E C -1.658 174.906 176.600 -0.059 0.000 0.925 537 E CA -0.490 55.856 56.400 -0.091 0.000 0.779 537 E CB 1.626 31.249 29.700 -0.128 0.000 1.233 537 E HN 0.185 nan 8.360 nan 0.000 0.414 538 D N 3.171 123.559 120.400 -0.020 0.000 2.470 538 D HA 0.050 4.689 4.640 -0.001 0.000 0.226 538 D C 0.277 176.575 176.300 -0.002 0.000 1.196 538 D CA 0.309 54.316 54.000 0.011 0.000 0.979 538 D CB 0.437 41.257 40.800 0.034 0.000 1.059 538 D HN 0.417 nan 8.370 nan 0.000 0.515 539 S N 2.705 118.389 115.700 -0.026 0.000 2.520 539 S HA 0.160 4.629 4.470 -0.001 0.000 0.219 539 S C 0.935 175.518 174.600 -0.029 0.000 1.028 539 S CA -0.442 57.738 58.200 -0.033 0.000 0.921 539 S CB 0.448 63.613 63.200 -0.060 0.000 0.844 539 S HN 0.249 nan 8.310 nan 0.000 0.495 540 R N 3.314 123.787 120.500 -0.045 0.000 2.401 540 R HA 0.267 4.607 4.340 -0.001 0.000 0.299 540 R C 0.166 176.471 176.300 0.009 0.000 1.064 540 R CA 0.326 56.372 56.100 -0.091 0.000 1.000 540 R CB 0.572 30.676 30.300 -0.326 0.000 0.973 540 R HN 0.524 nan 8.270 nan 0.000 0.438 541 T N -0.016 114.554 114.554 0.026 0.000 2.907 541 T HA 0.117 4.466 4.350 -0.001 0.000 0.298 541 T C 0.347 175.139 174.700 0.153 0.000 1.017 541 T CA -0.585 61.565 62.100 0.083 0.000 1.118 541 T CB 1.240 70.152 68.868 0.074 0.000 0.948 541 T HN 0.340 nan 8.240 nan 0.000 0.531 542 T N 4.112 118.770 114.554 0.172 0.000 2.806 542 T HA 0.388 4.738 4.350 -0.001 0.000 0.290 542 T C 0.510 175.313 174.700 0.171 0.000 0.966 542 T CA -0.523 61.706 62.100 0.214 0.000 1.060 542 T CB 0.214 69.177 68.868 0.157 0.000 0.927 542 T HN 0.587 nan 8.240 nan 0.000 0.485 543 I N 4.138 124.830 120.570 0.203 0.000 2.505 543 I HA 0.180 4.350 4.170 -0.001 0.000 0.287 543 I C 0.234 176.435 176.117 0.140 0.000 1.104 543 I CA 0.054 61.453 61.300 0.164 0.000 1.387 543 I CB 0.213 38.314 38.000 0.168 0.000 1.404 543 I HN 0.434 nan 8.210 nan 0.000 0.528 544 I N 8.103 128.740 120.570 0.111 0.000 2.307 544 I HA 0.352 4.521 4.170 -0.001 0.000 0.289 544 I C -0.206 175.969 176.117 0.096 0.000 1.021 544 I CA -0.280 61.078 61.300 0.096 0.000 1.224 544 I CB 0.598 38.642 38.000 0.073 0.000 1.376 544 I HN 0.399 nan 8.210 nan 0.000 0.470 545 L N 5.649 126.934 121.223 0.103 0.000 2.323 545 L HA 0.958 5.297 4.340 -0.001 0.000 0.265 545 L C 0.116 177.042 176.870 0.094 0.000 1.012 545 L CA -0.675 54.224 54.840 0.100 0.000 0.820 545 L CB 2.281 44.406 42.059 0.109 0.000 1.334 545 L HN 0.694 nan 8.230 nan 0.000 0.427 546 G N -0.197 108.654 108.800 0.085 0.000 2.442 546 G HA2 0.123 4.082 3.960 -0.001 0.000 0.296 546 G HA3 0.123 4.082 3.960 -0.001 0.000 0.296 546 G C -0.249 174.692 174.900 0.068 0.000 1.564 546 G CA -0.434 44.714 45.100 0.080 0.000 0.828 546 G HN 0.670 nan 8.290 nan 0.000 0.571 547 E N -0.343 119.895 120.200 0.063 0.000 2.204 547 E HA -0.124 4.226 4.350 -0.001 0.000 0.195 547 E C 0.612 177.237 176.600 0.043 0.000 0.990 547 E CA 1.247 57.678 56.400 0.050 0.000 0.821 547 E CB 0.155 29.881 29.700 0.043 0.000 0.750 547 E HN 0.443 nan 8.360 nan 0.000 0.477 548 D N -0.190 120.236 120.400 0.043 0.000 2.342 548 D HA 0.107 4.746 4.640 -0.001 0.000 0.221 548 D C 1.247 177.570 176.300 0.037 0.000 1.101 548 D CA 0.130 54.151 54.000 0.036 0.000 0.837 548 D CB 0.868 41.687 40.800 0.032 0.000 0.938 548 D HN 0.323 nan 8.370 nan 0.000 0.508 549 I N -0.799 119.798 120.570 0.045 0.000 4.317 549 I HA 0.115 4.285 4.170 -0.001 0.000 0.289 549 I C -1.315 174.834 176.117 0.053 0.000 1.164 549 I CA 0.096 61.423 61.300 0.045 0.000 1.312 549 I CB 1.319 39.346 38.000 0.044 0.000 1.569 549 I HN -0.185 nan 8.210 nan 0.000 0.450 550 L N 1.555 122.816 121.223 0.063 0.000 2.830 550 L HA 0.440 4.779 4.340 -0.001 0.000 0.259 550 L C -2.602 174.317 176.870 0.081 0.000 0.943 550 L CA -0.770 54.116 54.840 0.076 0.000 0.997 550 L CB 1.494 43.603 42.059 0.084 0.000 1.427 550 L HN -0.192 nan 8.230 nan 0.000 0.456 551 P HA 0.115 nan 4.420 nan 0.000 0.224 551 P C -0.399 176.950 177.300 0.082 0.000 1.157 551 P CA 0.856 64.001 63.100 0.075 0.000 0.799 551 P CB 0.342 32.080 31.700 0.063 0.000 0.809 552 S N -2.584 113.175 115.700 0.098 0.000 2.625 552 S HA 0.746 5.215 4.470 -0.001 0.000 0.271 552 S C -1.323 173.367 174.600 0.150 0.000 1.161 552 S CA -0.754 57.506 58.200 0.100 0.000 0.820 552 S CB 2.311 65.555 63.200 0.074 0.000 1.137 552 S HN -0.169 nan 8.310 nan 0.000 0.470 553 K N 0.578 121.066 120.400 0.145 0.000 2.513 553 K HA 0.557 4.876 4.320 -0.001 0.000 0.251 553 K C -1.983 174.756 176.600 0.231 0.000 0.939 553 K CA -0.243 56.181 56.287 0.228 0.000 0.793 553 K CB 0.912 33.514 32.500 0.170 0.000 1.241 553 K HN 0.844 nan 8.250 nan 0.000 0.431 554 H N 0.951 120.168 119.070 0.245 0.000 2.610 554 H HA 0.415 4.971 4.556 -0.001 0.000 0.336 554 H C -0.140 175.419 175.328 0.385 0.000 1.087 554 H CA -0.017 56.227 56.048 0.326 0.000 1.405 554 H CB 0.937 30.987 29.762 0.480 0.000 1.460 554 H HN 0.396 nan 8.280 nan 0.000 0.538 555 V N 1.095 121.265 119.914 0.425 0.000 2.914 555 V HA 0.784 4.903 4.120 -0.001 0.000 0.314 555 V C -0.693 175.741 176.094 0.567 0.000 1.084 555 V CA -0.871 61.678 62.300 0.416 0.000 0.963 555 V CB 2.110 33.916 31.823 -0.028 0.000 1.025 555 V HN 0.465 nan 8.190 nan 0.000 0.432 556 V N 3.948 124.219 119.914 0.595 0.000 2.638 556 V HA 0.624 4.744 4.120 -0.001 0.000 0.306 556 V C -0.475 175.980 176.094 0.602 0.000 1.052 556 V CA -0.365 62.249 62.300 0.523 0.000 0.885 556 V CB 1.852 33.823 31.823 0.247 0.000 0.999 556 V HN 0.948 nan 8.190 nan 0.000 0.424 557 M N 4.042 123.968 119.600 0.543 0.000 2.404 557 M HA 0.493 4.972 4.480 -0.001 0.000 0.338 557 M C -0.486 176.094 176.300 0.467 0.000 1.150 557 M CA -0.249 55.345 55.300 0.491 0.000 1.016 557 M CB 1.210 34.041 32.600 0.385 0.000 1.672 557 M HN 0.757 nan 8.290 nan 0.000 0.448 558 H N 1.943 121.244 119.070 0.386 0.000 2.469 558 H HA 0.478 5.033 4.556 -0.001 0.000 0.342 558 H C -1.337 174.129 175.328 0.230 0.000 1.115 558 H CA -0.591 55.650 56.048 0.320 0.000 1.204 558 H CB 1.173 31.198 29.762 0.437 0.000 1.492 558 H HN 0.651 nan 8.280 nan 0.000 0.499 559 N N 3.117 121.600 118.700 -0.362 0.000 2.564 559 N HA 0.037 4.776 4.740 -0.001 0.000 0.248 559 N C 0.338 175.523 175.510 -0.542 0.000 0.986 559 N CA -0.305 52.534 53.050 -0.352 0.000 0.921 559 N CB 1.578 39.962 38.487 -0.172 0.000 1.136 559 N HN 0.639 nan 8.380 nan 0.000 0.509 560 T N 2.874 117.153 114.554 -0.459 0.000 3.035 560 T HA 0.156 4.505 4.350 -0.001 0.000 0.268 560 T C 0.693 175.358 174.700 -0.058 0.000 1.109 560 T CA 0.534 62.531 62.100 -0.172 0.000 1.119 560 T CB -0.238 68.672 68.868 0.070 0.000 0.900 560 T HN 0.418 nan 8.240 nan 0.000 0.503 561 L N 2.708 123.843 121.223 -0.146 0.000 2.395 561 L HA 0.315 4.655 4.340 -0.001 0.000 0.269 561 L C -1.626 175.109 176.870 -0.225 0.000 1.133 561 L CA -1.951 52.771 54.840 -0.196 0.000 0.812 561 L CB 0.703 42.512 42.059 -0.416 0.000 1.125 561 L HN -0.046 nan 8.230 nan 0.000 0.452 562 P HA 0.061 nan 4.420 nan 0.000 0.235 562 P C -0.996 176.339 177.300 0.057 0.000 1.725 562 P CA 0.294 63.395 63.100 0.002 0.000 0.894 562 P CB -0.346 31.409 31.700 0.092 0.000 1.704 563 H N -3.177 115.918 119.070 0.042 0.000 3.012 563 H HA 0.239 4.795 4.556 -0.001 0.000 0.367 563 H C -1.011 174.351 175.328 0.058 0.000 1.211 563 H CA -1.066 55.029 56.048 0.080 0.000 1.139 563 H CB -0.001 29.836 29.762 0.126 0.000 1.838 563 H HN -0.130 nan 8.280 nan 0.000 0.550 564 W N 1.756 123.176 121.300 0.200 0.000 2.314 564 W HA 0.207 4.866 4.660 -0.001 0.000 0.339 564 W C 0.914 177.547 176.519 0.190 0.000 1.293 564 W CA 0.506 57.934 57.345 0.138 0.000 1.288 564 W CB 0.429 29.958 29.460 0.115 0.000 1.186 564 W HN 0.524 nan 8.180 nan 0.000 0.566 565 R N 2.211 122.923 120.500 0.352 0.000 2.604 565 R HA 0.312 4.651 4.340 -0.001 0.000 0.281 565 R C -1.107 175.333 176.300 0.234 0.000 1.020 565 R CA -0.683 55.577 56.100 0.267 0.000 0.899 565 R CB 1.446 31.825 30.300 0.131 0.000 1.205 565 R HN 0.497 nan 8.270 nan 0.000 0.450 566 E N 2.400 122.712 120.200 0.188 0.000 2.191 566 E HA 0.253 4.603 4.350 -0.001 0.000 0.274 566 E C -1.262 175.387 176.600 0.082 0.000 0.948 566 E CA -0.787 55.699 56.400 0.143 0.000 0.802 566 E CB 2.411 32.189 29.700 0.129 0.000 1.137 566 E HN 0.392 nan 8.360 nan 0.000 0.397 567 Q N 3.042 122.866 119.800 0.041 0.000 2.353 567 Q HA 0.271 4.610 4.340 -0.001 0.000 0.275 567 Q C -1.457 174.502 176.000 -0.069 0.000 1.029 567 Q CA -0.634 55.163 55.803 -0.010 0.000 0.848 567 Q CB 1.486 30.207 28.738 -0.027 0.000 1.390 567 Q HN 0.552 nan 8.270 nan 0.000 0.401 568 L N 3.198 124.375 121.223 -0.076 0.000 2.453 568 L HA 0.336 4.675 4.340 -0.001 0.000 0.272 568 L C 0.205 176.941 176.870 -0.224 0.000 1.182 568 L CA -0.336 54.420 54.840 -0.140 0.000 0.858 568 L CB 0.522 42.536 42.059 -0.075 0.000 1.120 568 L HN 0.468 nan 8.230 nan 0.000 0.474 569 V N -0.622 119.053 119.914 -0.398 0.000 2.914 569 V HA 0.697 4.817 4.120 -0.001 0.000 0.314 569 V C -0.924 174.899 176.094 -0.451 0.000 1.084 569 V CA -0.869 61.156 62.300 -0.459 0.000 0.963 569 V CB 2.157 33.659 31.823 -0.535 0.000 1.025 569 V HN 0.793 nan 8.190 nan 0.000 0.432 570 D N 1.609 121.743 120.400 -0.443 0.000 2.575 570 D HA 0.638 5.277 4.640 -0.001 0.000 0.236 570 D C -1.343 174.659 176.300 -0.496 0.000 1.075 570 D CA -0.419 53.431 54.000 -0.248 0.000 0.860 570 D CB 2.397 43.153 40.800 -0.073 0.000 1.475 570 D HN 0.443 nan 8.370 nan 0.000 0.474 571 F N -0.102 119.926 119.950 0.130 0.000 2.588 571 F HA 0.349 4.875 4.527 -0.001 0.000 0.314 571 F C -0.537 175.444 175.800 0.301 0.000 1.069 571 F CA -1.049 57.043 58.000 0.153 0.000 0.931 571 F CB 1.587 40.713 39.000 0.210 0.000 1.260 571 F HN 0.152 nan 8.300 nan 0.000 0.465 572 Y N 2.097 122.560 120.300 0.272 0.000 2.316 572 Y HA 0.570 5.120 4.550 -0.001 0.000 0.331 572 Y C 0.168 176.190 175.900 0.203 0.000 1.083 572 Y CA -1.501 56.706 58.100 0.178 0.000 1.206 572 Y CB 1.003 39.520 38.460 0.094 0.000 1.195 572 Y HN 0.345 nan 8.280 nan 0.000 0.497 573 V N -0.384 119.724 119.914 0.324 0.000 2.962 573 V HA 0.566 4.685 4.120 -0.001 0.000 0.313 573 V C 0.329 176.556 176.094 0.222 0.000 1.099 573 V CA -0.770 61.685 62.300 0.257 0.000 0.971 573 V CB 1.713 33.689 31.823 0.255 0.000 1.028 573 V HN 0.664 nan 8.190 nan 0.000 0.430 574 S N 0.282 116.095 115.700 0.189 0.000 2.593 574 S HA 0.258 4.727 4.470 -0.001 0.000 0.217 574 S C 0.669 175.424 174.600 0.258 0.000 0.966 574 S CA 0.480 58.782 58.200 0.169 0.000 0.914 574 S CB -0.236 63.034 63.200 0.116 0.000 0.776 574 S HN 1.437 nan 8.310 nan 0.000 0.523 575 S N 1.246 117.102 115.700 0.260 0.000 2.546 575 S HA 0.586 5.055 4.470 -0.001 0.000 0.274 575 S C -2.602 171.917 174.600 -0.136 0.000 1.121 575 S CA -1.432 56.816 58.200 0.081 0.000 0.887 575 S CB 1.918 65.166 63.200 0.080 0.000 1.094 575 S HN 0.007 nan 8.310 nan 0.000 0.474 576 P HA 0.176 nan 4.420 nan 0.000 0.236 576 P C -0.202 176.902 177.300 -0.326 0.000 1.177 576 P CA 0.410 63.100 63.100 -0.684 0.000 0.773 576 P CB -0.179 30.800 31.700 -1.202 0.000 0.878 577 F N 0.657 120.624 119.950 0.028 0.000 2.509 577 F HA 0.265 4.791 4.527 -0.001 0.000 0.344 577 F C 0.449 176.297 175.800 0.079 0.000 1.197 577 F CA -1.069 56.976 58.000 0.076 0.000 1.294 577 F CB -0.034 38.974 39.000 0.015 0.000 1.643 577 F HN -0.338 nan 8.300 nan 0.000 0.596 578 V N 1.000 121.043 119.914 0.214 0.000 2.656 578 V HA 0.661 4.780 4.120 -0.001 0.000 0.307 578 V C -0.261 175.899 176.094 0.109 0.000 1.051 578 V CA -0.839 61.548 62.300 0.145 0.000 0.893 578 V CB 2.277 34.177 31.823 0.130 0.000 0.999 578 V HN 0.509 nan 8.190 nan 0.000 0.426 579 S N 2.994 118.739 115.700 0.075 0.000 2.600 579 S HA 0.893 5.362 4.470 -0.001 0.000 0.300 579 S C -0.933 173.647 174.600 -0.032 0.000 1.087 579 S CA -0.825 57.398 58.200 0.039 0.000 0.965 579 S CB 2.095 65.334 63.200 0.066 0.000 1.089 579 S HN 0.436 nan 8.310 nan 0.000 0.496 580 V N 1.830 121.688 119.914 -0.093 0.000 2.555 580 V HA 0.794 4.913 4.120 -0.001 0.000 0.302 580 V C 0.079 176.083 176.094 -0.151 0.000 1.038 580 V CA -0.482 61.683 62.300 -0.226 0.000 0.887 580 V CB 1.582 33.080 31.823 -0.543 0.000 0.991 580 V HN 1.201 nan 8.190 nan 0.000 0.434 581 T N -0.422 114.063 114.554 -0.115 0.000 2.906 581 T HA 0.671 5.020 4.350 -0.001 0.000 0.295 581 T C -0.793 173.897 174.700 -0.016 0.000 1.075 581 T CA -0.892 61.167 62.100 -0.069 0.000 1.005 581 T CB 2.099 70.918 68.868 -0.083 0.000 1.136 581 T HN 0.716 nan 8.240 nan 0.000 0.498 582 D N 0.520 120.885 120.400 -0.057 0.000 2.478 582 D HA 0.248 4.887 4.640 -0.001 0.000 0.269 582 D C 0.510 176.677 176.300 -0.222 0.000 1.232 582 D CA -1.190 52.660 54.000 -0.249 0.000 1.059 582 D CB 0.312 40.970 40.800 -0.236 0.000 1.104 582 D HN 0.352 nan 8.370 nan 0.000 0.566 583 L N -0.625 120.446 121.223 -0.253 0.000 2.688 583 L HA 0.384 4.724 4.340 -0.001 0.000 0.234 583 L C 1.238 178.034 176.870 -0.124 0.000 1.192 583 L CA 0.244 54.982 54.840 -0.170 0.000 0.984 583 L CB -0.711 41.257 42.059 -0.152 0.000 1.232 583 L HN 0.625 nan 8.230 nan 0.000 0.465 584 A N -0.885 121.867 122.820 -0.112 0.000 2.465 584 A HA 0.207 4.527 4.320 -0.001 0.000 0.255 584 A C 1.171 178.711 177.584 -0.074 0.000 1.274 584 A CA 0.232 52.220 52.037 -0.081 0.000 0.920 584 A CB -0.421 18.538 19.000 -0.068 0.000 1.033 584 A HN 0.454 nan 8.150 nan 0.000 0.516 585 N N 0.101 118.750 118.700 -0.085 0.000 2.782 585 N HA -0.143 4.596 4.740 -0.001 0.000 0.251 585 N C -0.993 174.474 175.510 -0.071 0.000 1.101 585 N CA 0.868 53.873 53.050 -0.074 0.000 0.764 585 N CB -1.818 36.635 38.487 -0.057 0.000 1.122 585 N HN 0.549 nan 8.380 nan 0.000 0.561 586 N N 1.361 120.016 118.700 -0.075 0.000 2.497 586 N HA 0.217 4.956 4.740 -0.001 0.000 0.271 586 N C -2.470 172.976 175.510 -0.106 0.000 1.142 586 N CA -0.735 52.267 53.050 -0.080 0.000 0.965 586 N CB 0.533 38.984 38.487 -0.061 0.000 1.077 586 N HN 0.273 nan 8.380 nan 0.000 0.462 587 P HA 0.039 nan 4.420 nan 0.000 0.269 587 P C -0.439 176.732 177.300 -0.216 0.000 1.209 587 P CA -0.034 62.895 63.100 -0.285 0.000 0.776 587 P CB 0.758 32.031 31.700 -0.711 0.000 0.876 588 V N 2.529 122.360 119.914 -0.138 0.000 2.588 588 V HA 0.218 4.337 4.120 -0.001 0.000 0.304 588 V C 0.493 176.584 176.094 -0.005 0.000 1.042 588 V CA -0.862 61.416 62.300 -0.036 0.000 0.877 588 V CB 1.494 33.316 31.823 -0.001 0.000 0.996 588 V HN 0.565 nan 8.190 nan 0.000 0.425 589 E N 2.921 123.157 120.200 0.060 0.000 2.414 589 E HA 0.471 4.820 4.350 -0.001 0.000 0.263 589 E C -0.225 176.448 176.600 0.121 0.000 1.000 589 E CA 0.109 56.575 56.400 0.109 0.000 0.914 589 E CB 0.885 30.653 29.700 0.114 0.000 0.948 589 E HN 0.892 nan 8.360 nan 0.000 0.444 590 A N 4.231 127.110 122.820 0.099 0.000 2.527 590 A HA 0.430 4.749 4.320 -0.001 0.000 0.293 590 A C -1.321 176.284 177.584 0.035 0.000 1.117 590 A CA -0.712 51.394 52.037 0.114 0.000 0.723 590 A CB 1.957 21.016 19.000 0.099 0.000 1.313 590 A HN 0.665 nan 8.150 nan 0.000 0.411 591 Q N 0.807 120.635 119.800 0.046 0.000 2.347 591 Q HA 0.651 4.990 4.340 -0.001 0.000 0.271 591 Q C -2.015 173.982 176.000 -0.004 0.000 1.064 591 Q CA -0.554 55.233 55.803 -0.026 0.000 0.800 591 Q CB 2.204 30.964 28.738 0.037 0.000 1.304 591 Q HN 0.577 nan 8.270 nan 0.000 0.438 592 V N 2.598 122.443 119.914 -0.115 0.000 2.483 592 V HA 0.568 4.687 4.120 -0.001 0.000 0.295 592 V C -0.510 175.759 176.094 0.293 0.000 1.035 592 V CA -0.301 62.044 62.300 0.074 0.000 0.896 592 V CB 1.824 33.661 31.823 0.023 0.000 0.986 592 V HN 0.844 nan 8.190 nan 0.000 0.447 593 S N 5.109 121.004 115.700 0.324 0.000 2.634 593 S HA 0.685 5.155 4.470 -0.001 0.000 0.296 593 S C -2.748 171.904 174.600 0.086 0.000 1.104 593 S CA -1.168 57.200 58.200 0.281 0.000 0.920 593 S CB 2.399 65.721 63.200 0.204 0.000 1.111 593 S HN 0.535 nan 8.310 nan 0.000 0.493 594 P HA 0.231 nan 4.420 nan 0.000 0.273 594 P C -1.144 175.833 177.300 -0.538 0.000 1.250 594 P CA -0.487 62.226 63.100 -0.645 0.000 0.793 594 P CB 0.368 31.278 31.700 -1.316 0.000 1.011 595 V N 1.782 121.314 119.914 -0.637 0.000 2.334 595 V HA 0.174 4.293 4.120 -0.001 0.000 0.267 595 V C -0.511 175.286 176.094 -0.495 0.000 1.040 595 V CA -0.177 61.819 62.300 -0.505 0.000 0.866 595 V CB -0.518 30.904 31.823 -0.669 0.000 1.019 595 V HN 0.513 nan 8.190 nan 0.000 0.468 596 W N 3.648 124.862 121.300 -0.144 0.000 2.433 596 W HA 0.618 5.277 4.660 -0.001 0.000 0.315 596 W C 0.467 176.912 176.519 -0.122 0.000 1.087 596 W CA -0.380 56.867 57.345 -0.163 0.000 1.205 596 W CB 1.758 31.129 29.460 -0.149 0.000 1.288 596 W HN 0.581 nan 8.180 nan 0.000 0.504 597 S N 1.517 117.256 115.700 0.065 0.000 2.542 597 S HA 0.613 5.083 4.470 -0.001 0.000 0.293 597 S C -1.383 173.019 174.600 -0.329 0.000 1.089 597 S CA -0.981 57.189 58.200 -0.049 0.000 0.961 597 S CB 1.265 64.424 63.200 -0.068 0.000 1.062 597 S HN 0.421 nan 8.310 nan 0.000 0.483 598 W N 1.362 122.414 121.300 -0.412 0.000 2.496 598 W HA 0.584 5.244 4.660 -0.001 0.000 0.327 598 W C 0.347 176.444 176.519 -0.705 0.000 1.086 598 W CA -0.105 56.993 57.345 -0.412 0.000 1.222 598 W CB 0.988 30.303 29.460 -0.242 0.000 1.304 598 W HN 0.631 nan 8.180 nan 0.000 0.547 599 H N 1.318 120.401 119.070 0.021 0.000 2.865 599 H HA 0.153 4.708 4.556 -0.001 0.000 0.362 599 H C -0.697 174.604 175.328 -0.045 0.000 1.114 599 H CA -0.853 55.171 56.048 -0.041 0.000 1.208 599 H CB 1.557 31.228 29.762 -0.150 0.000 1.727 599 H HN 0.310 nan 8.280 nan 0.000 0.534 600 H N 2.110 121.259 119.070 0.132 0.000 3.017 600 H HA -0.043 4.513 4.556 -0.001 0.000 0.276 600 H C -0.195 175.195 175.328 0.104 0.000 1.062 600 H CA 0.439 56.551 56.048 0.106 0.000 1.486 600 H CB 0.396 30.204 29.762 0.077 0.000 1.507 600 H HN 0.489 nan 8.280 nan 0.000 0.508 601 D N 3.293 123.835 120.400 0.238 0.000 2.441 601 D HA -0.008 4.631 4.640 -0.001 0.000 0.221 601 D C 1.056 177.464 176.300 0.181 0.000 1.156 601 D CA -0.248 53.881 54.000 0.214 0.000 0.896 601 D CB 0.555 41.559 40.800 0.340 0.000 1.028 601 D HN 0.564 nan 8.370 nan 0.000 0.509 602 T N 1.126 115.761 114.554 0.134 0.000 3.163 602 T HA -0.033 4.316 4.350 -0.001 0.000 0.260 602 T C 1.805 176.546 174.700 0.069 0.000 1.156 602 T CA 0.017 62.172 62.100 0.091 0.000 1.072 602 T CB 0.206 69.104 68.868 0.049 0.000 0.937 602 T HN 0.276 nan 8.240 nan 0.000 0.528 603 L N 2.066 123.333 121.223 0.075 0.000 2.062 603 L HA 0.046 4.385 4.340 -0.001 0.000 0.202 603 L C 2.989 179.891 176.870 0.054 0.000 1.079 603 L CA 2.181 57.054 54.840 0.054 0.000 0.755 603 L CB -1.297 40.791 42.059 0.049 0.000 0.913 603 L HN 0.518 nan 8.230 nan 0.000 0.445 604 T N -3.955 110.641 114.554 0.071 0.000 3.088 604 T HA -0.013 4.336 4.350 -0.001 0.000 0.259 604 T C 0.789 175.530 174.700 0.068 0.000 1.122 604 T CA -0.148 61.983 62.100 0.051 0.000 1.095 604 T CB 0.116 68.997 68.868 0.022 0.000 0.930 604 T HN 0.125 nan 8.240 nan 0.000 0.508 605 K N 2.015 122.474 120.400 0.099 0.000 3.125 605 K HA -0.125 4.195 4.320 -0.001 0.000 0.268 605 K C 0.120 176.792 176.600 0.121 0.000 1.078 605 K CA 1.260 57.612 56.287 0.110 0.000 0.775 605 K CB -2.841 29.705 32.500 0.076 0.000 1.253 605 K HN 0.881 nan 8.250 nan 0.000 0.486 606 T N -2.807 111.844 114.554 0.161 0.000 2.906 606 T HA 0.797 5.146 4.350 -0.001 0.000 0.295 606 T C 0.294 175.132 174.700 0.229 0.000 1.075 606 T CA -1.056 61.148 62.100 0.172 0.000 1.005 606 T CB 2.256 71.212 68.868 0.146 0.000 1.136 606 T HN 0.144 nan 8.240 nan 0.000 0.498 607 I N 3.196 123.876 120.570 0.183 0.000 2.328 607 I HA 0.497 4.666 4.170 -0.001 0.000 0.287 607 I C -0.193 176.158 176.117 0.391 0.000 1.012 607 I CA -0.661 60.735 61.300 0.161 0.000 1.195 607 I CB 0.466 38.462 38.000 -0.006 0.000 1.350 607 I HN 0.930 nan 8.210 nan 0.000 0.464 608 H N 6.106 125.297 119.070 0.203 0.000 3.008 608 H HA 0.665 5.220 4.556 -0.001 0.000 0.354 608 H C -3.166 171.922 175.328 -0.399 0.000 1.252 608 H CA -2.354 53.663 56.048 -0.052 0.000 1.117 608 H CB 1.922 31.661 29.762 -0.037 0.000 1.857 608 H HN 0.141 nan 8.280 nan 0.000 0.547 609 P HA 0.198 nan 4.420 nan 0.000 0.292 609 P C -1.003 176.201 177.300 -0.159 0.000 1.283 609 P CA -0.655 61.879 63.100 -0.944 0.000 0.835 609 P CB 1.803 32.645 31.700 -1.431 0.000 1.017 610 Q N 1.041 120.857 119.800 0.027 0.000 2.312 610 Q HA 0.555 4.895 4.340 -0.001 0.000 0.263 610 Q C 0.257 176.327 176.000 0.117 0.000 0.995 610 Q CA -0.493 55.400 55.803 0.151 0.000 0.853 610 Q CB 2.583 31.385 28.738 0.106 0.000 1.300 610 Q HN 0.579 nan 8.270 nan 0.000 0.448 611 G N 0.787 109.529 108.800 -0.096 0.000 2.348 611 G HA2 0.301 4.260 3.960 -0.001 0.000 0.312 611 G HA3 0.301 4.260 3.960 -0.001 0.000 0.312 611 G C -0.225 174.424 174.900 -0.418 0.000 1.126 611 G CA -0.304 44.415 45.100 -0.635 0.000 0.865 611 G HN 0.441 nan 8.290 nan 0.000 0.474 612 S N 0.028 115.436 115.700 -0.488 0.000 2.562 612 S HA 0.269 4.738 4.470 -0.001 0.000 0.281 612 S C 1.650 176.005 174.600 -0.407 0.000 1.333 612 S CA 0.314 58.267 58.200 -0.412 0.000 1.052 612 S CB 0.654 63.551 63.200 -0.505 0.000 0.884 612 S HN 0.875 nan 8.310 nan 0.000 0.506 613 T N -0.132 114.256 114.554 -0.276 0.000 3.069 613 T HA 0.123 4.472 4.350 -0.001 0.000 0.252 613 T C 1.165 175.759 174.700 -0.177 0.000 1.053 613 T CA 0.491 62.490 62.100 -0.169 0.000 0.964 613 T CB -0.171 68.651 68.868 -0.077 0.000 1.005 613 T HN 0.682 nan 8.240 nan 0.000 0.532 614 T N -1.019 113.345 114.554 -0.317 0.000 3.004 614 T HA 0.345 4.694 4.350 -0.001 0.000 0.266 614 T C 0.204 174.678 174.700 -0.377 0.000 0.986 614 T CA -0.522 61.435 62.100 -0.239 0.000 0.902 614 T CB 0.046 68.827 68.868 -0.144 0.000 1.118 614 T HN 0.675 nan 8.240 nan 0.000 0.522 615 K N -0.265 119.667 120.400 -0.780 0.000 2.556 615 K HA 0.631 4.950 4.320 -0.001 0.000 0.274 615 K C -2.165 173.691 176.600 -1.241 0.000 0.966 615 K CA -1.021 54.815 56.287 -0.751 0.000 0.865 615 K CB 1.524 33.786 32.500 -0.395 0.000 1.444 615 K HN 0.094 nan 8.250 nan 0.000 0.433 616 Y N -0.380 119.821 120.300 -0.164 0.000 2.615 616 Y HA 0.479 5.028 4.550 -0.001 0.000 0.341 616 Y C -0.539 175.343 175.900 -0.030 0.000 1.089 616 Y CA -1.113 56.915 58.100 -0.121 0.000 1.049 616 Y CB 2.287 40.751 38.460 0.006 0.000 1.296 616 Y HN 0.378 nan 8.280 nan 0.000 0.470 617 R N 1.621 122.232 120.500 0.184 0.000 2.294 617 R HA 0.593 4.933 4.340 -0.001 0.000 0.319 617 R C -1.251 175.214 176.300 0.276 0.000 0.984 617 R CA -0.656 55.603 56.100 0.266 0.000 0.861 617 R CB 1.694 32.132 30.300 0.230 0.000 1.104 617 R HN 0.662 nan 8.270 nan 0.000 0.451 618 I N 4.337 125.097 120.570 0.317 0.000 2.412 618 I HA 0.434 4.603 4.170 -0.001 0.000 0.296 618 I C -1.013 175.296 176.117 0.319 0.000 0.987 618 I CA -0.766 60.713 61.300 0.298 0.000 1.180 618 I CB 1.057 39.244 38.000 0.311 0.000 1.340 618 I HN 0.544 nan 8.210 nan 0.000 0.455 619 I N 7.931 128.658 120.570 0.261 0.000 2.545 619 I HA 0.510 4.679 4.170 -0.001 0.000 0.292 619 I C -1.021 175.254 176.117 0.263 0.000 1.040 619 I CA -0.530 60.873 61.300 0.170 0.000 1.068 619 I CB 1.742 39.801 38.000 0.097 0.000 1.251 619 I HN 0.507 nan 8.210 nan 0.000 0.424 620 F N 2.647 122.624 119.950 0.046 0.000 2.686 620 F HA 0.570 5.096 4.527 -0.001 0.000 0.311 620 F C -1.061 174.726 175.800 -0.021 0.000 1.128 620 F CA -1.313 56.692 58.000 0.008 0.000 0.946 620 F CB 1.315 40.306 39.000 -0.014 0.000 1.336 620 F HN 0.213 nan 8.300 nan 0.000 0.457 621 K N 1.941 122.431 120.400 0.151 0.000 2.285 621 K HA 0.729 5.049 4.320 -0.001 0.000 0.286 621 K C -0.669 175.981 176.600 0.084 0.000 1.072 621 K CA -0.350 55.965 56.287 0.048 0.000 0.913 621 K CB 0.818 33.379 32.500 0.101 0.000 1.067 621 K HN 0.934 nan 8.250 nan 0.000 0.479 622 A N 4.665 127.440 122.820 -0.075 0.000 2.310 622 A HA 0.397 4.716 4.320 -0.001 0.000 0.299 622 A C -0.617 177.105 177.584 0.230 0.000 1.147 622 A CA -0.673 51.392 52.037 0.046 0.000 0.818 622 A CB 0.654 19.635 19.000 -0.033 0.000 1.096 622 A HN 0.880 nan 8.150 nan 0.000 0.495 623 R N 2.072 122.824 120.500 0.419 0.000 2.393 623 R HA 0.607 4.947 4.340 -0.001 0.000 0.315 623 R C -1.850 174.719 176.300 0.447 0.000 0.952 623 R CA -0.232 56.105 56.100 0.394 0.000 0.842 623 R CB 1.301 31.819 30.300 0.364 0.000 1.163 623 R HN 0.501 nan 8.270 nan 0.000 0.450 624 V N 6.123 126.252 119.914 0.359 0.000 2.709 624 V HA 0.462 4.581 4.120 -0.001 0.000 0.308 624 V C -2.266 173.714 176.094 -0.189 0.000 1.062 624 V CA -2.345 60.051 62.300 0.161 0.000 0.901 624 V CB 1.942 33.839 31.823 0.123 0.000 1.003 624 V HN 0.787 nan 8.190 nan 0.000 0.425 625 P HA 0.199 nan 4.420 nan 0.000 0.271 625 P C -2.741 174.074 177.300 -0.809 0.000 1.233 625 P CA -1.268 60.937 63.100 -1.492 0.000 0.789 625 P CB -0.275 30.766 31.700 -1.098 0.000 0.951 626 P HA 0.078 nan 4.420 nan 0.000 0.263 626 P C 0.106 177.370 177.300 -0.060 0.000 1.195 626 P CA 0.630 63.545 63.100 -0.309 0.000 0.762 626 P CB -0.261 31.330 31.700 -0.182 0.000 0.799 627 M N 0.399 120.002 119.600 0.005 0.000 2.253 627 M HA -0.213 4.267 4.480 -0.001 0.000 0.199 627 M C 0.569 177.077 176.300 0.346 0.000 0.342 627 M CA 1.008 56.454 55.300 0.245 0.000 0.417 627 M CB -2.060 30.776 32.600 0.392 0.000 1.338 627 M HN 0.590 nan 8.290 nan 0.000 0.920 628 G N -0.218 108.640 108.800 0.096 0.000 3.086 628 G HA2 0.935 4.894 3.960 -0.001 0.000 0.282 628 G HA3 0.935 4.894 3.960 -0.001 0.000 0.282 628 G C -1.385 173.643 174.900 0.214 0.000 1.343 628 G CA -0.962 44.164 45.100 0.043 0.000 0.895 628 G HN 0.171 nan 8.290 nan 0.000 0.557 629 L N -0.468 120.862 121.223 0.178 0.000 2.409 629 L HA 0.799 5.139 4.340 -0.001 0.000 0.262 629 L C -0.243 176.725 176.870 0.163 0.000 0.992 629 L CA -1.005 53.977 54.840 0.236 0.000 0.817 629 L CB 2.464 44.668 42.059 0.242 0.000 1.350 629 L HN 0.781 nan 8.230 nan 0.000 0.411 630 A N 0.832 123.790 122.820 0.230 0.000 2.455 630 A HA 0.828 5.147 4.320 -0.001 0.000 0.300 630 A C -0.836 176.904 177.584 0.259 0.000 1.040 630 A CA -0.457 51.698 52.037 0.197 0.000 0.697 630 A CB 1.815 20.971 19.000 0.259 0.000 1.265 630 A HN 0.548 nan 8.150 nan 0.000 0.407 631 T N 1.978 116.583 114.554 0.085 0.000 2.824 631 T HA 0.656 5.005 4.350 -0.001 0.000 0.280 631 T C -1.109 173.530 174.700 -0.103 0.000 0.995 631 T CA 0.199 62.401 62.100 0.170 0.000 1.009 631 T CB 0.393 69.363 68.868 0.170 0.000 0.955 631 T HN 0.435 nan 8.240 nan 0.000 0.452 632 Y N 0.357 120.759 120.300 0.170 0.000 2.602 632 Y HA 0.681 5.230 4.550 -0.001 0.000 0.342 632 Y C -0.315 175.523 175.900 -0.103 0.000 1.029 632 Y CA -1.149 56.964 58.100 0.020 0.000 1.080 632 Y CB 1.705 40.188 38.460 0.038 0.000 1.284 632 Y HN 0.309 nan 8.280 nan 0.000 0.485 633 V N 3.047 122.933 119.914 -0.047 0.000 2.588 633 V HA 0.437 4.556 4.120 -0.001 0.000 0.304 633 V C -0.790 175.237 176.094 -0.113 0.000 1.042 633 V CA -0.959 61.240 62.300 -0.168 0.000 0.877 633 V CB 1.824 33.474 31.823 -0.288 0.000 0.996 633 V HN 0.499 nan 8.190 nan 0.000 0.425 634 L N 3.932 125.113 121.223 -0.071 0.000 2.296 634 L HA 0.678 5.017 4.340 -0.001 0.000 0.286 634 L C -0.110 176.765 176.870 0.008 0.000 1.023 634 L CA -0.097 54.719 54.840 -0.039 0.000 0.812 634 L CB 1.824 43.876 42.059 -0.012 0.000 1.223 634 L HN 0.617 nan 8.230 nan 0.000 0.421 635 T N 3.739 118.305 114.554 0.019 0.000 2.861 635 T HA 0.458 4.807 4.350 -0.001 0.000 0.287 635 T C -0.255 174.488 174.700 0.071 0.000 1.003 635 T CA -0.389 61.736 62.100 0.042 0.000 0.977 635 T CB 2.335 71.218 68.868 0.024 0.000 0.996 635 T HN 0.373 nan 8.240 nan 0.000 0.448 636 I N 3.114 123.736 120.570 0.086 0.000 2.662 636 I HA 0.527 4.697 4.170 -0.001 0.000 0.291 636 I C 0.318 176.496 176.117 0.102 0.000 1.046 636 I CA 0.163 61.531 61.300 0.113 0.000 1.361 636 I CB 0.746 38.817 38.000 0.118 0.000 1.429 636 I HN 0.830 nan 8.210 nan 0.000 0.558 637 S N 2.903 118.682 115.700 0.131 0.000 2.704 637 S HA 0.379 4.849 4.470 -0.001 0.000 0.296 637 S C -0.112 174.518 174.600 0.050 0.000 1.138 637 S CA -0.505 57.739 58.200 0.074 0.000 0.875 637 S CB 1.560 64.789 63.200 0.049 0.000 1.151 637 S HN 0.681 nan 8.310 nan 0.000 0.500 638 D N 0.194 120.566 120.400 -0.047 0.000 2.347 638 D HA 0.163 4.802 4.640 -0.001 0.000 0.213 638 D C 0.860 176.904 176.300 -0.427 0.000 0.985 638 D CA 0.556 54.480 54.000 -0.127 0.000 0.879 638 D CB -0.236 40.511 40.800 -0.088 0.000 0.919 638 D HN 0.612 nan 8.370 nan 0.000 0.526 639 S N -1.507 113.894 115.700 -0.499 0.000 2.720 639 S HA 0.399 4.868 4.470 -0.001 0.000 0.287 639 S C -0.607 173.660 174.600 -0.555 0.000 1.168 639 S CA -1.266 56.455 58.200 -0.798 0.000 0.832 639 S CB 1.485 64.439 63.200 -0.410 0.000 1.166 639 S HN -0.075 nan 8.310 nan 0.000 0.493 640 K N 1.852 122.026 120.400 -0.375 0.000 2.466 640 K HA 0.184 4.504 4.320 -0.001 0.000 0.278 640 K C -2.443 174.209 176.600 0.086 0.000 1.048 640 K CA -0.628 55.717 56.287 0.096 0.000 1.088 640 K CB -0.633 31.947 32.500 0.134 0.000 0.884 640 K HN 0.372 nan 8.250 nan 0.000 0.478 641 P HA -0.015 nan 4.420 nan 0.000 0.272 641 P C 0.593 177.924 177.300 0.052 0.000 1.223 641 P CA -0.251 62.909 63.100 0.100 0.000 0.784 641 P CB 0.680 32.459 31.700 0.132 0.000 0.923 642 E N 0.999 121.192 120.200 -0.012 0.000 2.118 642 E HA -0.249 4.100 4.350 -0.001 0.000 0.195 642 E C 0.225 176.653 176.600 -0.286 0.000 0.992 642 E CA 1.410 57.704 56.400 -0.177 0.000 0.804 642 E CB -0.085 29.436 29.700 -0.298 0.000 0.741 642 E HN 0.564 nan 8.360 nan 0.000 0.458 643 H N -1.235 117.847 119.070 0.020 0.000 2.528 643 H HA 0.259 4.815 4.556 -0.001 0.000 0.282 643 H C -0.855 174.468 175.328 -0.008 0.000 1.097 643 H CA 0.022 56.076 56.048 0.010 0.000 1.121 643 H CB 1.084 30.851 29.762 0.009 0.000 1.590 643 H HN -0.117 nan 8.280 nan 0.000 0.553 644 T N 0.901 115.481 114.554 0.043 0.000 2.792 644 T HA 0.393 4.742 4.350 -0.001 0.000 0.280 644 T C 0.046 174.621 174.700 -0.209 0.000 0.990 644 T CA -0.859 61.194 62.100 -0.079 0.000 0.960 644 T CB 1.505 70.321 68.868 -0.087 0.000 0.939 644 T HN 0.321 nan 8.240 nan 0.000 0.439 645 S N 2.480 118.018 115.700 -0.270 0.000 2.722 645 S HA 0.758 5.227 4.470 -0.001 0.000 0.292 645 S C -1.303 172.937 174.600 -0.599 0.000 1.135 645 S CA -0.796 57.251 58.200 -0.255 0.000 1.003 645 S CB 0.778 63.944 63.200 -0.056 0.000 1.067 645 S HN 0.569 nan 8.310 nan 0.000 0.546 646 Y N 0.029 120.336 120.300 0.011 0.000 2.376 646 Y HA 0.648 5.197 4.550 -0.001 0.000 0.340 646 Y C 0.614 176.568 175.900 0.090 0.000 0.965 646 Y CA -0.778 57.316 58.100 -0.010 0.000 1.078 646 Y CB 1.645 39.966 38.460 -0.233 0.000 1.193 646 Y HN 1.029 nan 8.280 nan 0.000 0.452 647 A N 2.009 125.020 122.820 0.319 0.000 2.407 647 A HA 0.487 4.806 4.320 -0.001 0.000 0.248 647 A C 0.279 178.061 177.584 0.330 0.000 1.082 647 A CA -0.309 51.900 52.037 0.286 0.000 0.785 647 A CB -0.072 19.092 19.000 0.273 0.000 1.020 647 A HN 0.769 nan 8.150 nan 0.000 0.489 648 S N 1.966 117.794 115.700 0.214 0.000 2.632 648 S HA 0.557 5.026 4.470 -0.001 0.000 0.271 648 S C -0.361 174.333 174.600 0.156 0.000 1.260 648 S CA -0.884 57.426 58.200 0.184 0.000 1.010 648 S CB 0.775 64.041 63.200 0.111 0.000 0.965 648 S HN 0.691 nan 8.310 nan 0.000 0.534 649 N N 0.473 119.243 118.700 0.116 0.000 2.310 649 N HA 0.483 5.223 4.740 -0.001 0.000 0.292 649 N C -2.016 173.441 175.510 -0.089 0.000 1.049 649 N CA -0.521 52.556 53.050 0.046 0.000 0.849 649 N CB 2.038 40.639 38.487 0.190 0.000 1.532 649 N HN 0.585 nan 8.380 nan 0.000 0.479 650 L N 2.521 123.647 121.223 -0.163 0.000 2.406 650 L HA 0.497 4.836 4.340 -0.001 0.000 0.272 650 L C -1.538 175.177 176.870 -0.259 0.000 0.980 650 L CA -0.538 54.176 54.840 -0.211 0.000 0.831 650 L CB 1.545 43.535 42.059 -0.115 0.000 1.253 650 L HN 0.429 nan 8.230 nan 0.000 0.406 651 L N 6.675 127.700 121.223 -0.331 0.000 2.265 651 L HA 0.469 4.808 4.340 -0.001 0.000 0.289 651 L C -1.186 175.663 176.870 -0.034 0.000 1.033 651 L CA -0.406 54.308 54.840 -0.210 0.000 0.814 651 L CB 1.277 43.217 42.059 -0.198 0.000 1.203 651 L HN 0.679 nan 8.230 nan 0.000 0.423 652 L N 6.897 128.113 121.223 -0.013 0.000 2.262 652 L HA 0.547 4.886 4.340 -0.001 0.000 0.288 652 L C -0.299 176.606 176.870 0.058 0.000 1.035 652 L CA -0.512 54.349 54.840 0.034 0.000 0.820 652 L CB 1.003 43.073 42.059 0.018 0.000 1.204 652 L HN 0.653 nan 8.230 nan 0.000 0.424 653 R N 1.946 122.491 120.500 0.076 0.000 2.739 653 R HA 0.433 4.772 4.340 -0.001 0.000 0.266 653 R C -1.618 174.711 176.300 0.049 0.000 1.044 653 R CA -1.062 55.074 56.100 0.061 0.000 0.885 653 R CB 1.143 31.477 30.300 0.056 0.000 1.260 653 R HN 0.135 nan 8.270 nan 0.000 0.477 654 K N 1.578 121.997 120.400 0.031 0.000 2.258 654 K HA 0.115 4.434 4.320 -0.001 0.000 0.264 654 K C -0.133 176.462 176.600 -0.008 0.000 1.007 654 K CA -0.318 55.978 56.287 0.015 0.000 0.941 654 K CB 0.394 32.902 32.500 0.014 0.000 0.966 654 K HN 0.815 nan 8.250 nan 0.000 0.480 655 N N 1.666 120.352 118.700 -0.023 0.000 2.671 655 N HA -0.120 4.620 4.740 -0.001 0.000 0.261 655 N C -2.341 173.114 175.510 -0.091 0.000 1.053 655 N CA -0.186 52.831 53.050 -0.054 0.000 0.732 655 N CB -0.333 38.126 38.487 -0.047 0.000 0.887 655 N HN 0.418 nan 8.380 nan 0.000 0.546 656 P HA 0.198 nan 4.420 nan 0.000 0.276 656 P C -0.199 176.915 177.300 -0.311 0.000 1.244 656 P CA 0.042 63.026 63.100 -0.194 0.000 0.801 656 P CB 1.011 32.564 31.700 -0.245 0.000 1.006 657 T N -2.761 111.601 114.554 -0.319 0.000 2.930 657 T HA 0.493 4.843 4.350 -0.001 0.000 0.290 657 T C 0.271 174.757 174.700 -0.357 0.000 1.052 657 T CA -0.764 61.157 62.100 -0.298 0.000 1.017 657 T CB 0.641 69.413 68.868 -0.160 0.000 1.137 657 T HN 0.475 nan 8.240 nan 0.000 0.511 658 S N 0.670 116.227 115.700 -0.237 0.000 2.576 658 S HA 0.393 4.863 4.470 -0.001 0.000 0.272 658 S C -0.180 174.522 174.600 0.170 0.000 1.352 658 S CA -0.758 57.408 58.200 -0.058 0.000 1.021 658 S CB -0.331 62.864 63.200 -0.009 0.000 0.887 658 S HN 0.692 nan 8.310 nan 0.000 0.542 659 L N 2.286 123.724 121.223 0.358 0.000 2.481 659 L HA 0.377 4.716 4.340 -0.001 0.000 0.255 659 L C -2.369 174.615 176.870 0.190 0.000 1.192 659 L CA -1.618 53.401 54.840 0.299 0.000 0.924 659 L CB 1.707 44.026 42.059 0.433 0.000 1.179 659 L HN 0.596 nan 8.230 nan 0.000 0.491 660 P HA 0.192 nan 4.420 nan 0.000 0.275 660 P C -0.224 177.080 177.300 0.007 0.000 1.228 660 P CA -0.187 62.953 63.100 0.067 0.000 0.786 660 P CB 1.661 33.389 31.700 0.047 0.000 0.927 661 L N 1.403 122.640 121.223 0.024 0.000 3.186 661 L HA 0.290 4.630 4.340 -0.001 0.000 0.292 661 L C 1.418 178.358 176.870 0.116 0.000 1.303 661 L CA -0.238 54.594 54.840 -0.014 0.000 0.940 661 L CB 0.039 42.062 42.059 -0.060 0.000 1.358 661 L HN 0.730 nan 8.230 nan 0.000 0.581 662 G N 1.072 109.918 108.800 0.077 0.000 2.651 662 G HA2 -0.411 3.549 3.960 -0.001 0.000 0.315 662 G HA3 -0.411 3.549 3.960 -0.001 0.000 0.315 662 G C 0.596 175.570 174.900 0.123 0.000 1.258 662 G CA 0.820 45.992 45.100 0.119 0.000 1.002 662 G HN 0.526 nan 8.290 nan 0.000 0.551 663 Q N -0.524 119.350 119.800 0.124 0.000 2.451 663 Q HA 0.190 4.530 4.340 -0.001 0.000 0.206 663 Q C 0.783 176.645 176.000 -0.230 0.000 0.947 663 Q CA 0.174 55.941 55.803 -0.060 0.000 0.937 663 Q CB 0.300 28.941 28.738 -0.162 0.000 1.025 663 Q HN 0.507 nan 8.270 nan 0.000 0.511 664 Y N 4.278 124.394 120.300 -0.306 0.000 2.802 664 Y HA -0.055 4.494 4.550 -0.001 0.000 0.333 664 Y C -1.298 174.455 175.900 -0.246 0.000 1.244 664 Y CA -1.506 56.380 58.100 -0.356 0.000 1.558 664 Y CB 0.795 39.186 38.460 -0.116 0.000 1.233 664 Y HN 0.057 nan 8.280 nan 0.000 0.547 665 P HA -0.087 nan 4.420 nan 0.000 0.233 665 P C -0.419 176.720 177.300 -0.268 0.000 1.167 665 P CA 0.844 63.676 63.100 -0.446 0.000 0.770 665 P CB 0.435 31.757 31.700 -0.630 0.000 0.837 666 E N 0.759 120.823 120.200 -0.226 0.000 2.158 666 E HA 0.237 4.586 4.350 -0.001 0.000 0.271 666 E C -0.741 175.967 176.600 0.180 0.000 0.911 666 E CA -0.687 55.722 56.400 0.016 0.000 0.767 666 E CB 0.469 30.222 29.700 0.089 0.000 1.120 666 E HN -0.142 nan 8.360 nan 0.000 0.405 667 D N 2.350 122.821 120.400 0.117 0.000 2.389 667 D HA 0.079 4.718 4.640 -0.001 0.000 0.247 667 D C -0.183 176.182 176.300 0.108 0.000 1.128 667 D CA -0.133 53.943 54.000 0.127 0.000 0.884 667 D CB 1.068 41.928 40.800 0.101 0.000 1.194 667 D HN 0.160 nan 8.370 nan 0.000 0.441 668 V N 3.736 123.702 119.914 0.087 0.000 2.673 668 V HA -0.018 4.102 4.120 -0.001 0.000 0.303 668 V C 0.832 176.769 176.094 -0.261 0.000 1.046 668 V CA 0.116 62.369 62.300 -0.079 0.000 1.126 668 V CB 0.457 32.215 31.823 -0.108 0.000 0.934 668 V HN 0.312 nan 8.190 nan 0.000 0.487 669 K N 3.514 123.693 120.400 -0.367 0.000 2.166 669 K HA 0.673 4.992 4.320 -0.001 0.000 0.245 669 K C -0.937 175.260 176.600 -0.672 0.000 0.967 669 K CA -0.376 55.720 56.287 -0.319 0.000 0.863 669 K CB 1.676 34.114 32.500 -0.103 0.000 1.107 669 K HN 0.419 nan 8.250 nan 0.000 0.436 670 F N -1.000 118.962 119.950 0.020 0.000 2.577 670 F HA 0.690 5.216 4.527 -0.001 0.000 0.318 670 F C 0.606 176.410 175.800 0.006 0.000 1.065 670 F CA -0.666 57.337 58.000 0.005 0.000 0.929 670 F CB 2.733 41.736 39.000 0.004 0.000 1.237 670 F HN 0.586 nan 8.300 nan 0.000 0.468 671 G N 0.370 109.280 108.800 0.182 0.000 2.601 671 G HA2 0.406 4.365 3.960 -0.001 0.000 0.291 671 G HA3 0.406 4.365 3.960 -0.001 0.000 0.291 671 G C -2.149 172.804 174.900 0.087 0.000 1.456 671 G CA -0.851 44.312 45.100 0.106 0.000 0.804 671 G HN 0.371 nan 8.290 nan 0.000 0.499 672 D N 0.810 121.247 120.400 0.063 0.000 2.362 672 D HA 0.366 5.005 4.640 -0.001 0.000 0.242 672 D C -1.979 174.349 176.300 0.047 0.000 1.132 672 D CA -0.594 53.437 54.000 0.050 0.000 0.907 672 D CB 0.958 41.782 40.800 0.039 0.000 1.195 672 D HN -0.001 nan 8.370 nan 0.000 0.429 673 P HA 0.057 nan 4.420 nan 0.000 0.264 673 P C -0.431 176.896 177.300 0.045 0.000 1.183 673 P CA 0.445 63.573 63.100 0.047 0.000 0.763 673 P CB 0.403 32.133 31.700 0.049 0.000 0.807 674 R N 0.493 121.021 120.500 0.048 0.000 2.692 674 R HA 0.419 4.759 4.340 -0.001 0.000 0.269 674 R C -1.123 175.214 176.300 0.063 0.000 1.030 674 R CA -1.024 55.105 56.100 0.048 0.000 0.882 674 R CB 1.129 31.453 30.300 0.040 0.000 1.250 674 R HN 0.224 nan 8.270 nan 0.000 0.465 675 E N 1.512 121.750 120.200 0.063 0.000 2.392 675 E HA 0.221 4.570 4.350 -0.001 0.000 0.264 675 E C -0.037 176.619 176.600 0.093 0.000 1.024 675 E CA 0.071 56.522 56.400 0.085 0.000 0.903 675 E CB 0.773 30.506 29.700 0.056 0.000 0.963 675 E HN 0.444 nan 8.360 nan 0.000 0.432 676 I N -1.888 118.772 120.570 0.150 0.000 3.095 676 I HA 0.569 4.738 4.170 -0.001 0.000 0.310 676 I C -0.724 175.535 176.117 0.237 0.000 1.196 676 I CA -0.770 60.618 61.300 0.147 0.000 0.985 676 I CB 2.399 40.456 38.000 0.096 0.000 1.250 676 I HN 0.248 nan 8.210 nan 0.000 0.446 677 S N 3.469 119.281 115.700 0.187 0.000 2.536 677 S HA 0.876 5.345 4.470 -0.001 0.000 0.287 677 S C -1.252 173.466 174.600 0.196 0.000 1.101 677 S CA -0.544 57.780 58.200 0.206 0.000 0.950 677 S CB 1.049 64.319 63.200 0.116 0.000 1.056 677 S HN 0.678 nan 8.310 nan 0.000 0.481 678 L N 3.306 124.674 121.223 0.241 0.000 2.409 678 L HA 0.700 5.039 4.340 -0.001 0.000 0.262 678 L C -0.423 176.542 176.870 0.158 0.000 0.992 678 L CA -0.752 54.198 54.840 0.184 0.000 0.817 678 L CB 2.413 44.593 42.059 0.202 0.000 1.350 678 L HN 0.666 nan 8.230 nan 0.000 0.411 679 R N 1.739 122.307 120.500 0.115 0.000 2.515 679 R HA 0.637 4.976 4.340 -0.001 0.000 0.291 679 R C -1.993 174.354 176.300 0.078 0.000 1.046 679 R CA -0.476 55.679 56.100 0.093 0.000 0.914 679 R CB 2.137 32.483 30.300 0.077 0.000 1.191 679 R HN 0.404 nan 8.270 nan 0.000 0.435 680 V N 4.755 124.714 119.914 0.075 0.000 2.427 680 V HA 0.553 4.672 4.120 -0.001 0.000 0.286 680 V C 1.158 177.284 176.094 0.053 0.000 1.034 680 V CA 0.674 63.012 62.300 0.065 0.000 0.893 680 V CB 1.047 32.910 31.823 0.067 0.000 0.982 680 V HN 1.113 nan 8.190 nan 0.000 0.452 681 G N 4.900 113.729 108.800 0.049 0.000 2.596 681 G HA2 -0.304 3.655 3.960 -0.001 0.000 0.295 681 G HA3 -0.304 3.655 3.960 -0.001 0.000 0.295 681 G C 0.564 175.485 174.900 0.035 0.000 1.240 681 G CA 0.611 45.736 45.100 0.041 0.000 0.985 681 G HN 0.663 nan 8.290 nan 0.000 0.555 682 N N 2.391 121.108 118.700 0.029 0.000 2.235 682 N HA 0.234 4.973 4.740 -0.001 0.000 0.209 682 N C 1.200 176.721 175.510 0.018 0.000 1.122 682 N CA 0.907 53.969 53.050 0.021 0.000 0.845 682 N CB 0.399 38.895 38.487 0.016 0.000 1.004 682 N HN 0.786 nan 8.380 nan 0.000 0.499 683 G N 1.623 110.438 108.800 0.025 0.000 2.508 683 G HA2 0.239 4.199 3.960 -0.001 0.000 0.278 683 G HA3 0.239 4.199 3.960 -0.001 0.000 0.278 683 G C -2.388 172.523 174.900 0.020 0.000 1.389 683 G CA -0.606 44.507 45.100 0.022 0.000 1.050 683 G HN -0.008 nan 8.290 nan 0.000 0.522 684 P HA 0.215 nan 4.420 nan 0.000 0.274 684 P C -0.536 176.784 177.300 0.034 0.000 1.246 684 P CA 0.008 63.115 63.100 0.010 0.000 0.795 684 P CB 0.831 32.533 31.700 0.003 0.000 1.006 685 T N 2.072 116.644 114.554 0.030 0.000 2.749 685 T HA 0.464 4.813 4.350 -0.001 0.000 0.287 685 T C -0.011 174.729 174.700 0.066 0.000 0.970 685 T CA -0.359 61.784 62.100 0.071 0.000 0.980 685 T CB 0.072 68.995 68.868 0.091 0.000 0.924 685 T HN 0.173 nan 8.240 nan 0.000 0.456 686 L N 2.733 124.002 121.223 0.075 0.000 2.322 686 L HA 0.780 5.119 4.340 -0.001 0.000 0.281 686 L C 0.165 176.983 176.870 -0.087 0.000 1.014 686 L CA -1.146 53.658 54.840 -0.059 0.000 0.815 686 L CB 1.557 43.573 42.059 -0.072 0.000 1.247 686 L HN 0.641 nan 8.230 nan 0.000 0.421 687 A N 3.226 125.903 122.820 -0.238 0.000 2.337 687 A HA 0.865 5.185 4.320 -0.001 0.000 0.329 687 A C -1.213 176.148 177.584 -0.372 0.000 1.146 687 A CA -0.310 51.644 52.037 -0.138 0.000 0.800 687 A CB 0.819 19.778 19.000 -0.069 0.000 1.220 687 A HN 0.503 nan 8.150 nan 0.000 0.472 688 F N 0.869 120.859 119.950 0.067 0.000 2.546 688 F HA 0.526 5.052 4.527 -0.001 0.000 0.320 688 F C 1.108 176.952 175.800 0.074 0.000 1.076 688 F CA -0.293 57.764 58.000 0.095 0.000 0.928 688 F CB 2.171 41.229 39.000 0.096 0.000 1.189 688 F HN 0.684 nan 8.300 nan 0.000 0.465 689 S N 0.184 116.042 115.700 0.264 0.000 2.606 689 S HA 0.079 4.548 4.470 -0.001 0.000 0.257 689 S C 1.030 175.733 174.600 0.172 0.000 1.327 689 S CA -0.045 58.258 58.200 0.171 0.000 0.984 689 S CB 0.636 63.937 63.200 0.169 0.000 0.941 689 S HN 0.851 nan 8.310 nan 0.000 0.576 690 E N -0.210 120.058 120.200 0.114 0.000 2.409 690 E HA -0.179 4.170 4.350 -0.001 0.000 0.198 690 E C 1.232 177.893 176.600 0.101 0.000 1.024 690 E CA 0.883 57.340 56.400 0.095 0.000 0.861 690 E CB -0.404 29.336 29.700 0.067 0.000 0.788 690 E HN 0.763 nan 8.360 nan 0.000 0.521 691 Q N 0.098 119.973 119.800 0.126 0.000 2.320 691 Q HA 0.212 4.551 4.340 -0.001 0.000 0.201 691 Q C 0.797 176.885 176.000 0.148 0.000 0.910 691 Q CA 0.467 56.343 55.803 0.122 0.000 0.946 691 Q CB 0.981 29.793 28.738 0.124 0.000 1.062 691 Q HN 0.477 nan 8.270 nan 0.000 0.503 692 G N 0.432 109.341 108.800 0.182 0.000 2.137 692 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.237 692 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.237 692 G C -0.323 174.801 174.900 0.374 0.000 1.002 692 G CA -0.166 45.049 45.100 0.192 0.000 0.702 692 G HN 0.263 nan 8.290 nan 0.000 0.515 693 L N -0.228 121.255 121.223 0.433 0.000 2.334 693 L HA 0.681 5.020 4.340 -0.001 0.000 0.276 693 L C 0.799 177.968 176.870 0.498 0.000 1.014 693 L CA -1.384 53.753 54.840 0.496 0.000 0.815 693 L CB 1.584 43.838 42.059 0.326 0.000 1.268 693 L HN 0.129 nan 8.230 nan 0.000 0.428 694 L N 2.907 124.401 121.223 0.452 0.000 2.559 694 L HA -0.066 4.273 4.340 -0.001 0.000 0.282 694 L C 0.796 177.734 176.870 0.114 0.000 1.232 694 L CA 1.205 56.054 54.840 0.015 0.000 0.885 694 L CB 0.117 42.218 42.059 0.070 0.000 1.131 694 L HN 0.626 nan 8.230 nan 0.000 0.498 695 K N 1.126 121.490 120.400 -0.061 0.000 2.462 695 K HA 0.249 4.568 4.320 -0.001 0.000 0.201 695 K C -0.396 176.143 176.600 -0.102 0.000 1.268 695 K CA 0.590 56.862 56.287 -0.026 0.000 0.933 695 K CB 0.623 33.085 32.500 -0.063 0.000 1.162 695 K HN 0.814 nan 8.250 nan 0.000 0.527 696 S N -0.243 115.370 115.700 -0.145 0.000 2.565 696 S HA 0.547 5.017 4.470 -0.001 0.000 0.269 696 S C -1.157 173.385 174.600 -0.097 0.000 1.153 696 S CA -1.017 57.122 58.200 -0.100 0.000 0.835 696 S CB 1.480 64.663 63.200 -0.028 0.000 1.122 696 S HN 0.043 nan 8.310 nan 0.000 0.462 697 I N 1.285 121.819 120.570 -0.061 0.000 2.499 697 I HA 0.453 4.622 4.170 -0.001 0.000 0.288 697 I C -0.637 175.453 176.117 -0.045 0.000 1.048 697 I CA -0.380 60.889 61.300 -0.053 0.000 1.062 697 I CB 2.157 40.113 38.000 -0.073 0.000 1.238 697 I HN 0.732 nan 8.210 nan 0.000 0.426 698 Q N 6.037 125.804 119.800 -0.056 0.000 2.368 698 Q HA 0.420 4.759 4.340 -0.001 0.000 0.263 698 Q C 0.045 175.980 176.000 -0.109 0.000 1.009 698 Q CA -0.528 55.174 55.803 -0.169 0.000 0.818 698 Q CB 1.697 30.199 28.738 -0.394 0.000 1.239 698 Q HN 0.780 nan 8.270 nan 0.000 0.464 699 L N 2.026 123.191 121.223 -0.097 0.000 2.056 699 L HA -0.027 4.312 4.340 -0.001 0.000 0.207 699 L C 1.097 177.933 176.870 -0.057 0.000 1.078 699 L CA 1.278 56.080 54.840 -0.064 0.000 0.749 699 L CB -0.288 41.736 42.059 -0.059 0.000 0.901 699 L HN 0.673 nan 8.230 nan 0.000 0.433 700 T N -6.412 108.098 114.554 -0.074 0.000 2.883 700 T HA 0.213 4.562 4.350 -0.001 0.000 0.296 700 T C 0.500 175.158 174.700 -0.070 0.000 1.117 700 T CA -0.850 61.217 62.100 -0.055 0.000 1.006 700 T CB 1.927 70.768 68.868 -0.044 0.000 1.191 700 T HN -0.129 nan 8.240 nan 0.000 0.508 701 Q N 0.857 120.632 119.800 -0.042 0.000 2.156 701 Q HA -0.207 4.133 4.340 -0.001 0.000 0.211 701 Q C 1.434 177.406 176.000 -0.047 0.000 0.995 701 Q CA 2.751 58.534 55.803 -0.033 0.000 0.877 701 Q CB -0.444 28.288 28.738 -0.010 0.000 0.920 701 Q HN 0.939 nan 8.270 nan 0.000 0.416 702 D N -0.808 119.565 120.400 -0.046 0.000 2.354 702 D HA -0.013 4.627 4.640 -0.001 0.000 0.209 702 D C 0.686 176.949 176.300 -0.062 0.000 1.015 702 D CA 0.309 54.285 54.000 -0.041 0.000 0.867 702 D CB -0.069 40.716 40.800 -0.025 0.000 0.933 702 D HN 0.053 nan 8.370 nan 0.000 0.520 703 S N -0.051 115.594 115.700 -0.091 0.000 2.614 703 S HA 0.454 4.923 4.470 -0.001 0.000 0.265 703 S C -2.485 172.021 174.600 -0.157 0.000 1.303 703 S CA -1.274 56.865 58.200 -0.101 0.000 1.000 703 S CB 0.804 63.947 63.200 -0.095 0.000 0.935 703 S HN -0.157 nan 8.310 nan 0.000 0.551 704 P HA 0.182 nan 4.420 nan 0.000 0.272 704 P C -0.611 176.582 177.300 -0.178 0.000 1.223 704 P CA -0.180 62.861 63.100 -0.097 0.000 0.784 704 P CB 0.153 31.837 31.700 -0.026 0.000 0.923 705 H N 0.804 119.863 119.070 -0.019 0.000 3.004 705 H HA 0.139 4.694 4.556 -0.001 0.000 0.267 705 H C -0.157 175.143 175.328 -0.047 0.000 1.165 705 H CA -0.250 55.778 56.048 -0.035 0.000 1.450 705 H CB -0.057 29.685 29.762 -0.033 0.000 1.488 705 H HN 0.113 nan 8.280 nan 0.000 0.478 706 V N 7.167 127.083 119.914 0.004 0.000 2.455 706 V HA 0.077 4.196 4.120 -0.001 0.000 0.273 706 V C -1.883 174.160 176.094 -0.086 0.000 1.045 706 V CA -1.640 60.638 62.300 -0.035 0.000 0.976 706 V CB 0.870 32.661 31.823 -0.052 0.000 0.993 706 V HN 0.556 nan 8.190 nan 0.000 0.475 707 P HA 0.171 nan 4.420 nan 0.000 0.266 707 P C -0.815 176.345 177.300 -0.233 0.000 1.215 707 P CA 0.247 63.196 63.100 -0.251 0.000 0.763 707 P CB 0.495 31.878 31.700 -0.528 0.000 0.806 708 V N 4.196 124.004 119.914 -0.177 0.000 2.559 708 V HA 0.221 4.341 4.120 -0.001 0.000 0.289 708 V C -0.819 175.182 176.094 -0.155 0.000 1.036 708 V CA -0.425 61.757 62.300 -0.197 0.000 0.887 708 V CB 1.225 32.916 31.823 -0.220 0.000 1.022 708 V HN 0.544 nan 8.190 nan 0.000 0.442 709 H N 4.527 123.440 119.070 -0.260 0.000 2.505 709 H HA 0.679 5.234 4.556 -0.001 0.000 0.338 709 H C -1.270 173.943 175.328 -0.192 0.000 1.057 709 H CA -0.965 54.976 56.048 -0.178 0.000 1.202 709 H CB 1.130 30.826 29.762 -0.110 0.000 1.466 709 H HN 0.390 nan 8.280 nan 0.000 0.499 710 F N 3.891 123.562 119.950 -0.465 0.000 2.396 710 F HA 0.381 4.907 4.527 -0.001 0.000 0.343 710 F C 0.417 175.712 175.800 -0.841 0.000 1.104 710 F CA -0.043 57.631 58.000 -0.543 0.000 1.161 710 F CB 0.916 39.731 39.000 -0.309 0.000 1.146 710 F HN 0.459 nan 8.300 nan 0.000 0.522 711 K N 3.121 123.261 120.400 -0.433 0.000 2.523 711 K HA 0.515 4.835 4.320 -0.001 0.000 0.257 711 K C -1.962 174.366 176.600 -0.453 0.000 0.932 711 K CA -0.583 55.490 56.287 -0.357 0.000 0.812 711 K CB 1.382 33.739 32.500 -0.238 0.000 1.326 711 K HN 0.391 nan 8.250 nan 0.000 0.433 712 F N 3.872 123.744 119.950 -0.130 0.000 2.436 712 F HA 0.482 5.008 4.527 -0.001 0.000 0.340 712 F C -0.400 175.359 175.800 -0.068 0.000 1.113 712 F CA -0.612 57.327 58.000 -0.101 0.000 1.022 712 F CB 1.179 40.105 39.000 -0.123 0.000 1.128 712 F HN 0.233 nan 8.300 nan 0.000 0.466 713 L N 2.781 124.049 121.223 0.075 0.000 2.257 713 L HA 0.649 4.988 4.340 -0.001 0.000 0.257 713 L C -1.059 175.812 176.870 0.001 0.000 1.033 713 L CA -1.015 53.822 54.840 -0.005 0.000 0.835 713 L CB 2.167 44.157 42.059 -0.114 0.000 1.398 713 L HN 0.495 nan 8.230 nan 0.000 0.429 714 K N -0.477 119.886 120.400 -0.061 0.000 2.427 714 K HA 0.642 4.961 4.320 -0.001 0.000 0.252 714 K C -1.781 174.761 176.600 -0.096 0.000 0.931 714 K CA -0.801 55.481 56.287 -0.008 0.000 0.793 714 K CB 1.667 34.197 32.500 0.050 0.000 1.211 714 K HN 0.255 nan 8.250 nan 0.000 0.426 715 Y N 0.638 121.008 120.300 0.116 0.000 2.376 715 Y HA 0.512 5.062 4.550 -0.001 0.000 0.325 715 Y C 1.052 177.020 175.900 0.114 0.000 1.199 715 Y CA 0.103 58.285 58.100 0.137 0.000 1.206 715 Y CB 2.067 40.675 38.460 0.248 0.000 1.229 715 Y HN 0.922 nan 8.280 nan 0.000 0.480 716 G N 0.437 109.397 108.800 0.267 0.000 2.971 716 G HA2 0.642 4.601 3.960 -0.001 0.000 0.235 716 G HA3 0.642 4.601 3.960 -0.001 0.000 0.235 716 G C -1.447 173.541 174.900 0.147 0.000 1.351 716 G CA -0.745 44.457 45.100 0.170 0.000 1.039 716 G HN 0.436 nan 8.290 nan 0.000 0.563 717 V N -0.222 119.747 119.914 0.091 0.000 2.914 717 V HA 0.473 4.593 4.120 -0.001 0.000 0.314 717 V C -0.136 175.968 176.094 0.016 0.000 1.084 717 V CA -0.891 61.437 62.300 0.046 0.000 0.963 717 V CB 1.994 33.841 31.823 0.040 0.000 1.025 717 V HN 0.673 nan 8.190 nan 0.000 0.432 718 R N 1.273 121.739 120.500 -0.056 0.000 2.491 718 R HA 0.208 4.548 4.340 -0.001 0.000 0.283 718 R C 1.213 177.451 176.300 -0.102 0.000 1.072 718 R CA 0.414 56.424 56.100 -0.150 0.000 1.048 718 R CB 0.693 30.713 30.300 -0.467 0.000 0.983 718 R HN 0.931 nan 8.270 nan 0.000 0.450 719 S N 1.553 117.286 115.700 0.054 0.000 2.446 719 S HA -0.059 4.410 4.470 -0.001 0.000 0.225 719 S C 0.712 175.358 174.600 0.077 0.000 1.016 719 S CA 0.111 58.363 58.200 0.086 0.000 0.943 719 S CB -0.153 63.127 63.200 0.135 0.000 0.786 719 S HN 0.735 nan 8.310 nan 0.000 0.508 720 H N 0.693 119.766 119.070 0.005 0.000 2.472 720 H HA 0.642 5.198 4.556 -0.001 0.000 0.338 720 H C 0.973 176.300 175.328 -0.001 0.000 1.133 720 H CA -0.391 55.658 56.048 0.002 0.000 1.216 720 H CB 0.581 30.344 29.762 0.002 0.000 1.497 720 H HN 0.391 nan 8.280 nan 0.000 0.500 721 G N 2.948 111.705 108.800 -0.071 0.000 2.569 721 G HA2 -0.267 3.692 3.960 -0.001 0.000 0.259 721 G HA3 -0.267 3.692 3.960 -0.001 0.000 0.259 721 G C -0.801 174.008 174.900 -0.152 0.000 1.263 721 G CA 0.094 45.132 45.100 -0.104 0.000 0.928 721 G HN 0.791 nan 8.290 nan 0.000 0.572 722 D N 1.643 121.960 120.400 -0.138 0.000 2.350 722 D HA 0.436 5.075 4.640 -0.001 0.000 0.249 722 D C 0.924 177.154 176.300 -0.116 0.000 1.119 722 D CA 0.110 54.048 54.000 -0.103 0.000 0.886 722 D CB 0.589 41.342 40.800 -0.078 0.000 1.195 722 D HN 0.378 nan 8.370 nan 0.000 0.437 723 R N 1.285 121.737 120.500 -0.080 0.000 2.368 723 R HA 0.298 4.638 4.340 -0.001 0.000 0.302 723 R C 0.065 176.341 176.300 -0.040 0.000 1.002 723 R CA -0.607 55.458 56.100 -0.059 0.000 0.929 723 R CB 1.068 31.347 30.300 -0.035 0.000 1.073 723 R HN 0.313 nan 8.270 nan 0.000 0.464 724 S N 0.471 116.160 115.700 -0.018 0.000 2.563 724 S HA 0.326 4.795 4.470 -0.001 0.000 0.284 724 S C 0.678 175.289 174.600 0.017 0.000 1.331 724 S CA 0.239 58.449 58.200 0.017 0.000 1.047 724 S CB 0.931 64.176 63.200 0.076 0.000 0.859 724 S HN 0.791 nan 8.310 nan 0.000 0.514 725 G N -0.084 108.727 108.800 0.018 0.000 2.846 725 G HA2 0.586 4.546 3.960 -0.001 0.000 0.299 725 G HA3 0.586 4.546 3.960 -0.001 0.000 0.299 725 G C 0.517 175.424 174.900 0.012 0.000 1.242 725 G CA -0.119 44.996 45.100 0.026 0.000 0.800 725 G HN 0.708 nan 8.290 nan 0.000 0.538 726 A N -1.251 121.557 122.820 -0.021 0.000 1.972 726 A HA 0.097 4.416 4.320 -0.001 0.000 0.219 726 A C 1.919 179.397 177.584 -0.178 0.000 1.169 726 A CA 1.972 53.940 52.037 -0.116 0.000 0.635 726 A CB -0.631 18.236 19.000 -0.222 0.000 0.810 726 A HN 0.588 nan 8.150 nan 0.000 0.446 727 Y N -0.694 119.542 120.300 -0.107 0.000 2.266 727 Y HA 0.325 4.874 4.550 -0.001 0.000 0.294 727 Y C 0.905 176.693 175.900 -0.187 0.000 1.127 727 Y CA 0.098 58.062 58.100 -0.226 0.000 1.140 727 Y CB -0.162 37.812 38.460 -0.810 0.000 1.071 727 Y HN 0.020 nan 8.280 nan 0.000 0.525 728 L N 0.534 121.708 121.223 -0.081 0.000 2.312 728 L HA 0.212 4.551 4.340 -0.001 0.000 0.281 728 L C -1.128 175.783 176.870 0.068 0.000 1.070 728 L CA -0.588 54.203 54.840 -0.082 0.000 0.805 728 L CB 0.978 42.934 42.059 -0.171 0.000 1.174 728 L HN 0.033 nan 8.230 nan 0.000 0.434 729 F N 4.902 124.788 119.950 -0.107 0.000 2.375 729 F HA 0.484 5.011 4.527 -0.001 0.000 0.361 729 F C -0.768 174.950 175.800 -0.136 0.000 1.117 729 F CA -1.180 56.721 58.000 -0.166 0.000 1.037 729 F CB 0.648 39.483 39.000 -0.275 0.000 1.192 729 F HN 0.207 nan 8.300 nan 0.000 0.452 730 L N 9.140 130.261 121.223 -0.169 0.000 2.556 730 L HA 0.342 4.681 4.340 -0.001 0.000 0.243 730 L C -2.351 174.346 176.870 -0.288 0.000 1.331 730 L CA -1.746 52.937 54.840 -0.262 0.000 0.927 730 L CB 1.067 43.051 42.059 -0.124 0.000 1.219 730 L HN 0.389 nan 8.230 nan 0.000 0.490 731 P HA 0.044 nan 4.420 nan 0.000 0.272 731 P C -0.483 176.761 177.300 -0.093 0.000 1.223 731 P CA -0.307 62.626 63.100 -0.278 0.000 0.784 731 P CB 0.594 32.010 31.700 -0.474 0.000 0.923 732 N N 1.099 119.820 118.700 0.034 0.000 3.250 732 N HA 0.277 5.016 4.740 -0.001 0.000 0.307 732 N C 0.652 176.216 175.510 0.089 0.000 1.355 732 N CA -0.177 52.918 53.050 0.075 0.000 1.192 732 N CB -0.862 37.687 38.487 0.102 0.000 1.478 732 N HN 0.743 nan 8.380 nan 0.000 0.543 733 G N 0.607 109.449 108.800 0.071 0.000 2.592 733 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.684 733 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.684 733 G C -3.072 171.919 174.900 0.152 0.000 1.291 733 G CA -1.121 44.027 45.100 0.081 0.000 0.891 733 G HN 0.350 nan 8.290 nan 0.000 0.544 734 P HA 0.443 nan 4.420 nan 0.000 0.269 734 P C 0.528 177.804 177.300 -0.040 0.000 1.217 734 P CA 0.680 63.854 63.100 0.123 0.000 0.783 734 P CB 0.379 32.116 31.700 0.061 0.000 0.898 735 A N 2.082 124.687 122.820 -0.358 0.000 2.425 735 A HA 0.376 4.695 4.320 -0.001 0.000 0.242 735 A C 0.178 177.618 177.584 -0.240 0.000 1.077 735 A CA 0.283 51.946 52.037 -0.623 0.000 0.781 735 A CB -0.264 18.094 19.000 -1.070 0.000 1.020 735 A HN 0.482 nan 8.150 nan 0.000 0.494 736 S N 2.554 118.155 115.700 -0.166 0.000 2.509 736 S HA 0.599 5.068 4.470 -0.001 0.000 0.297 736 S C -2.715 171.855 174.600 -0.051 0.000 1.118 736 S CA -1.111 57.047 58.200 -0.070 0.000 1.074 736 S CB 1.239 64.422 63.200 -0.028 0.000 1.038 736 S HN 0.594 nan 8.310 nan 0.000 0.498 737 P HA 0.094 nan 4.420 nan 0.000 0.268 737 P C -0.596 176.717 177.300 0.023 0.000 1.204 737 P CA -0.310 62.793 63.100 0.006 0.000 0.768 737 P CB 0.214 31.927 31.700 0.022 0.000 0.842 738 V N 3.958 123.899 119.914 0.045 0.000 2.540 738 V HA -0.054 4.065 4.120 -0.001 0.000 0.297 738 V C 1.104 177.222 176.094 0.041 0.000 1.024 738 V CA 0.380 62.707 62.300 0.046 0.000 1.105 738 V CB -0.512 31.347 31.823 0.060 0.000 0.938 738 V HN 0.511 nan 8.190 nan 0.000 0.482 739 E N 4.490 124.709 120.200 0.032 0.000 2.217 739 E HA 0.141 4.490 4.350 -0.001 0.000 0.279 739 E C 0.489 177.106 176.600 0.028 0.000 1.068 739 E CA -0.178 56.241 56.400 0.032 0.000 0.882 739 E CB 0.819 30.536 29.700 0.029 0.000 1.039 739 E HN 0.567 nan 8.360 nan 0.000 0.418 740 L N 2.758 124.000 121.223 0.033 0.000 2.477 740 L HA 0.113 4.453 4.340 -0.001 0.000 0.220 740 L C 1.407 178.293 176.870 0.028 0.000 1.106 740 L CA 0.423 55.279 54.840 0.025 0.000 0.851 740 L CB -0.587 41.496 42.059 0.040 0.000 0.994 740 L HN 0.859 nan 8.230 nan 0.000 0.462 741 G N 0.756 109.576 108.800 0.033 0.000 2.574 741 G HA2 -0.409 3.550 3.960 -0.001 0.000 0.286 741 G HA3 -0.409 3.550 3.960 -0.001 0.000 0.286 741 G C 0.105 175.028 174.900 0.039 0.000 1.212 741 G CA 0.217 45.338 45.100 0.034 0.000 0.979 741 G HN 0.355 nan 8.290 nan 0.000 0.557 742 Q N 1.695 121.519 119.800 0.040 0.000 2.788 742 Q HA 0.456 4.796 4.340 -0.001 0.000 0.261 742 Q C -2.168 173.863 176.000 0.052 0.000 1.029 742 Q CA -1.531 54.299 55.803 0.044 0.000 0.848 742 Q CB 1.210 29.971 28.738 0.039 0.000 1.185 742 Q HN 0.602 nan 8.270 nan 0.000 0.482 743 P HA 0.074 nan 4.420 nan 0.000 0.274 743 P C -0.515 176.842 177.300 0.094 0.000 1.237 743 P CA -0.321 62.818 63.100 0.065 0.000 0.793 743 P CB 1.139 32.861 31.700 0.036 0.000 0.977 744 V N 2.032 122.035 119.914 0.149 0.000 2.488 744 V HA 0.132 4.252 4.120 -0.001 0.000 0.277 744 V C 0.498 176.734 176.094 0.237 0.000 1.046 744 V CA -0.213 62.198 62.300 0.185 0.000 0.986 744 V CB 1.189 33.154 31.823 0.237 0.000 0.989 744 V HN 0.255 nan 8.190 nan 0.000 0.475 745 V N 6.378 126.377 119.914 0.140 0.000 2.448 745 V HA 0.477 4.596 4.120 -0.001 0.000 0.295 745 V C -0.440 175.668 176.094 0.022 0.000 1.025 745 V CA -0.634 61.728 62.300 0.102 0.000 0.859 745 V CB 1.716 33.562 31.823 0.038 0.000 0.988 745 V HN 0.673 nan 8.190 nan 0.000 0.431 746 L N 6.684 127.915 121.223 0.013 0.000 2.305 746 L HA 0.736 5.075 4.340 -0.001 0.000 0.284 746 L C -0.651 176.096 176.870 -0.204 0.000 1.013 746 L CA 0.004 54.726 54.840 -0.196 0.000 0.819 746 L CB 1.747 43.583 42.059 -0.371 0.000 1.227 746 L HN 0.442 nan 8.230 nan 0.000 0.417 747 V N 3.998 123.782 119.914 -0.217 0.000 2.384 747 V HA 0.559 4.678 4.120 -0.001 0.000 0.287 747 V C 0.002 176.016 176.094 -0.133 0.000 1.020 747 V CA -0.408 61.787 62.300 -0.176 0.000 0.850 747 V CB 1.563 33.300 31.823 -0.143 0.000 0.987 747 V HN 0.835 nan 8.190 nan 0.000 0.436 748 T N 5.255 119.760 114.554 -0.082 0.000 2.792 748 T HA 0.437 4.787 4.350 -0.001 0.000 0.280 748 T C -0.401 174.321 174.700 0.036 0.000 0.990 748 T CA -0.570 61.539 62.100 0.014 0.000 0.960 748 T CB 1.170 70.085 68.868 0.077 0.000 0.939 748 T HN 0.664 nan 8.240 nan 0.000 0.439 749 K N 2.404 122.843 120.400 0.065 0.000 2.394 749 K HA 0.679 4.999 4.320 -0.001 0.000 0.260 749 K C -0.357 176.300 176.600 0.095 0.000 0.967 749 K CA -0.578 55.750 56.287 0.068 0.000 0.855 749 K CB 0.969 33.502 32.500 0.055 0.000 1.101 749 K HN 0.788 nan 8.250 nan 0.000 0.433 750 G N 2.233 111.086 108.800 0.089 0.000 2.605 750 G HA2 0.173 4.132 3.960 -0.001 0.000 0.296 750 G HA3 0.173 4.132 3.960 -0.001 0.000 0.296 750 G C -0.205 174.739 174.900 0.074 0.000 1.304 750 G CA -0.625 44.530 45.100 0.091 0.000 0.941 750 G HN 0.664 nan 8.290 nan 0.000 0.475 751 K N -0.160 120.280 120.400 0.066 0.000 2.097 751 K HA 0.106 4.426 4.320 -0.001 0.000 0.205 751 K C 1.693 178.328 176.600 0.059 0.000 1.050 751 K CA 1.037 57.359 56.287 0.058 0.000 0.938 751 K CB -0.131 32.399 32.500 0.051 0.000 0.718 751 K HN 0.438 nan 8.250 nan 0.000 0.442 752 L N -0.708 120.552 121.223 0.062 0.000 2.357 752 L HA 0.197 4.536 4.340 -0.001 0.000 0.211 752 L C 0.551 177.457 176.870 0.060 0.000 1.075 752 L CA 0.113 54.990 54.840 0.061 0.000 0.830 752 L CB 0.390 42.489 42.059 0.066 0.000 0.996 752 L HN 0.166 nan 8.230 nan 0.000 0.467 753 E N -0.255 119.985 120.200 0.066 0.000 2.321 753 E HA 0.377 4.726 4.350 -0.001 0.000 0.281 753 E C -1.478 175.166 176.600 0.073 0.000 0.910 753 E CA -0.199 56.241 56.400 0.066 0.000 0.770 753 E CB 2.113 31.851 29.700 0.064 0.000 1.225 753 E HN -0.126 nan 8.360 nan 0.000 0.417 754 S N 1.259 116.999 115.700 0.068 0.000 2.638 754 S HA 0.802 5.272 4.470 -0.001 0.000 0.302 754 S C -1.255 173.368 174.600 0.039 0.000 1.096 754 S CA -0.653 57.582 58.200 0.058 0.000 0.953 754 S CB 1.780 65.016 63.200 0.060 0.000 1.107 754 S HN 0.628 nan 8.310 nan 0.000 0.503 755 S N -0.217 115.481 115.700 -0.004 0.000 2.565 755 S HA 0.714 5.183 4.470 -0.001 0.000 0.269 755 S C -1.719 172.785 174.600 -0.161 0.000 1.153 755 S CA -0.750 57.421 58.200 -0.049 0.000 0.835 755 S CB 0.971 64.164 63.200 -0.012 0.000 1.122 755 S HN 0.454 nan 8.310 nan 0.000 0.462 756 V N 1.828 121.584 119.914 -0.264 0.000 2.487 756 V HA 0.753 4.873 4.120 -0.001 0.000 0.298 756 V C -0.438 175.519 176.094 -0.229 0.000 1.028 756 V CA -0.401 61.677 62.300 -0.371 0.000 0.860 756 V CB 1.591 32.879 31.823 -0.892 0.000 0.991 756 V HN 0.987 nan 8.190 nan 0.000 0.427 757 S N 3.116 118.737 115.700 -0.133 0.000 2.521 757 S HA 0.780 5.249 4.470 -0.001 0.000 0.295 757 S C -0.868 173.670 174.600 -0.103 0.000 1.098 757 S CA -0.605 57.526 58.200 -0.115 0.000 0.999 757 S CB 2.137 65.373 63.200 0.060 0.000 1.034 757 S HN 0.652 nan 8.310 nan 0.000 0.483 758 V N 2.143 121.871 119.914 -0.310 0.000 2.760 758 V HA 0.803 4.922 4.120 -0.001 0.000 0.309 758 V C 0.001 175.724 176.094 -0.619 0.000 1.077 758 V CA -0.438 61.692 62.300 -0.284 0.000 0.910 758 V CB 1.785 33.576 31.823 -0.053 0.000 1.008 758 V HN 0.993 nan 8.190 nan 0.000 0.424 759 G N 7.064 115.528 108.800 -0.561 0.000 2.639 759 G HA2 0.515 4.475 3.960 -0.001 0.000 0.312 759 G HA3 0.515 4.475 3.960 -0.001 0.000 0.312 759 G C -0.505 174.260 174.900 -0.226 0.000 0.911 759 G CA -0.310 44.510 45.100 -0.468 0.000 1.410 759 G HN 0.692 nan 8.290 nan 0.000 0.469 760 L N 2.732 123.781 121.223 -0.290 0.000 2.387 760 L HA 0.386 4.725 4.340 -0.001 0.000 0.266 760 L C -2.032 174.716 176.870 -0.204 0.000 1.059 760 L CA -2.353 52.350 54.840 -0.229 0.000 0.801 760 L CB 1.808 43.662 42.059 -0.343 0.000 1.223 760 L HN 0.198 nan 8.230 nan 0.000 0.456 761 P HA 0.065 nan 4.420 nan 0.000 0.262 761 P C 0.044 177.277 177.300 -0.111 0.000 1.199 761 P CA 0.492 63.546 63.100 -0.076 0.000 0.763 761 P CB 0.893 32.578 31.700 -0.025 0.000 0.790 762 S N -0.018 115.636 115.700 -0.077 0.000 2.691 762 S HA -0.108 4.361 4.470 -0.001 0.000 0.262 762 S C 0.201 174.710 174.600 -0.151 0.000 1.284 762 S CA 1.189 59.348 58.200 -0.069 0.000 1.372 762 S CB -1.451 61.725 63.200 -0.040 0.000 1.693 762 S HN 0.387 nan 8.310 nan 0.000 0.647 763 V N 1.505 121.257 119.914 -0.270 0.000 2.655 763 V HA 0.454 4.573 4.120 -0.001 0.000 0.301 763 V C -0.223 175.629 176.094 -0.404 0.000 1.082 763 V CA -0.802 61.285 62.300 -0.356 0.000 0.899 763 V CB 2.063 33.504 31.823 -0.636 0.000 1.014 763 V HN 0.124 nan 8.190 nan 0.000 0.429 764 V N 4.145 123.830 119.914 -0.381 0.000 2.389 764 V HA 0.310 4.429 4.120 -0.001 0.000 0.264 764 V C -0.112 175.756 176.094 -0.375 0.000 1.049 764 V CA -0.283 61.686 62.300 -0.551 0.000 0.932 764 V CB 0.641 32.012 31.823 -0.753 0.000 1.011 764 V HN 0.935 nan 8.190 nan 0.000 0.475 765 H N 4.482 123.279 119.070 -0.455 0.000 2.459 765 H HA 0.602 5.157 4.556 -0.001 0.000 0.332 765 H C -0.426 174.774 175.328 -0.213 0.000 1.094 765 H CA -0.234 55.655 56.048 -0.264 0.000 1.224 765 H CB 1.234 30.872 29.762 -0.207 0.000 1.449 765 H HN 0.689 nan 8.280 nan 0.000 0.484 766 Q N 3.914 123.399 119.800 -0.525 0.000 2.323 766 Q HA 0.387 4.726 4.340 -0.001 0.000 0.271 766 Q C -1.383 174.403 176.000 -0.357 0.000 1.048 766 Q CA -0.909 54.673 55.803 -0.368 0.000 0.792 766 Q CB 1.697 30.324 28.738 -0.185 0.000 1.280 766 Q HN 0.761 nan 8.270 nan 0.000 0.441 767 T N 4.843 119.274 114.554 -0.204 0.000 2.786 767 T HA 0.537 4.886 4.350 -0.001 0.000 0.283 767 T C -0.349 174.378 174.700 0.045 0.000 0.992 767 T CA -0.336 61.766 62.100 0.003 0.000 0.954 767 T CB 0.324 69.364 68.868 0.287 0.000 0.934 767 T HN 0.456 nan 8.240 nan 0.000 0.440 768 I N 3.696 124.306 120.570 0.066 0.000 2.404 768 I HA 0.500 4.669 4.170 -0.001 0.000 0.293 768 I C -0.252 175.919 176.117 0.090 0.000 0.992 768 I CA -0.809 60.529 61.300 0.063 0.000 1.149 768 I CB 1.730 39.757 38.000 0.044 0.000 1.315 768 I HN 0.389 nan 8.210 nan 0.000 0.446 769 M N 5.893 125.546 119.600 0.088 0.000 2.253 769 M HA 0.482 4.961 4.480 -0.001 0.000 0.314 769 M C 0.167 176.509 176.300 0.070 0.000 1.019 769 M CA -0.340 55.015 55.300 0.092 0.000 0.932 769 M CB 2.225 34.895 32.600 0.118 0.000 1.606 769 M HN 0.478 nan 8.290 nan 0.000 0.430 770 R N 1.129 121.665 120.500 0.059 0.000 2.565 770 R HA 0.353 4.693 4.340 -0.001 0.000 0.347 770 R C 0.786 177.113 176.300 0.046 0.000 1.010 770 R CA 0.232 56.361 56.100 0.048 0.000 1.126 770 R CB 1.084 31.405 30.300 0.036 0.000 1.331 770 R HN 1.147 nan 8.270 nan 0.000 0.552 771 G N -0.293 108.536 108.800 0.049 0.000 2.184 771 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.206 771 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.206 771 G C 0.257 175.178 174.900 0.035 0.000 0.995 771 G CA -0.347 44.779 45.100 0.043 0.000 0.651 771 G HN 0.534 nan 8.290 nan 0.000 0.511 772 G N -0.196 108.624 108.800 0.035 0.000 3.259 772 G HA2 0.799 4.758 3.960 -0.001 0.000 0.178 772 G HA3 0.799 4.758 3.960 -0.001 0.000 0.178 772 G C 0.434 175.353 174.900 0.032 0.000 1.129 772 G CA 0.484 45.600 45.100 0.026 0.000 0.816 772 G HN 1.558 nan 8.290 nan 0.000 0.634 773 A N 1.486 124.322 122.820 0.026 0.000 2.540 773 A HA 0.524 4.843 4.320 -0.001 0.000 0.239 773 A C -1.801 175.818 177.584 0.059 0.000 1.061 773 A CA -0.449 51.609 52.037 0.035 0.000 0.758 773 A CB -0.482 18.535 19.000 0.028 0.000 0.991 773 A HN 0.365 nan 8.150 nan 0.000 0.502 774 P HA 0.113 nan 4.420 nan 0.000 0.270 774 P C -0.396 176.973 177.300 0.115 0.000 1.223 774 P CA -0.135 63.030 63.100 0.107 0.000 0.785 774 P CB 0.574 32.361 31.700 0.145 0.000 0.923 775 E N 1.366 121.631 120.200 0.108 0.000 2.191 775 E HA 0.372 4.722 4.350 -0.001 0.000 0.278 775 E C -0.780 175.895 176.600 0.124 0.000 0.972 775 E CA -0.694 55.773 56.400 0.112 0.000 0.804 775 E CB 0.542 30.284 29.700 0.070 0.000 1.110 775 E HN 0.202 nan 8.360 nan 0.000 0.394 776 I N 4.144 124.823 120.570 0.181 0.000 2.404 776 I HA 0.411 4.581 4.170 -0.001 0.000 0.293 776 I C -0.017 176.221 176.117 0.202 0.000 0.992 776 I CA -0.613 60.775 61.300 0.146 0.000 1.149 776 I CB 1.283 39.382 38.000 0.166 0.000 1.315 776 I HN 0.566 nan 8.210 nan 0.000 0.446 777 R N 4.593 125.139 120.500 0.075 0.000 2.561 777 R HA 0.491 4.830 4.340 -0.001 0.000 0.297 777 R C -0.987 175.361 176.300 0.080 0.000 0.969 777 R CA -0.855 55.301 56.100 0.095 0.000 0.879 777 R CB 2.065 32.377 30.300 0.020 0.000 1.178 777 R HN 0.461 nan 8.270 nan 0.000 0.445 778 N N 2.633 121.443 118.700 0.184 0.000 2.443 778 N HA 0.199 4.939 4.740 -0.001 0.000 0.269 778 N C -1.240 174.283 175.510 0.022 0.000 0.985 778 N CA -0.702 52.432 53.050 0.139 0.000 0.921 778 N CB 1.876 40.556 38.487 0.321 0.000 1.195 778 N HN 0.335 nan 8.380 nan 0.000 0.492 779 L N 3.694 124.868 121.223 -0.081 0.000 2.282 779 L HA 0.369 4.708 4.340 -0.001 0.000 0.287 779 L C -0.997 175.805 176.870 -0.115 0.000 1.075 779 L CA -0.437 54.337 54.840 -0.109 0.000 0.839 779 L CB 0.433 42.413 42.059 -0.131 0.000 1.219 779 L HN 0.213 nan 8.230 nan 0.000 0.434 780 V N 4.591 124.446 119.914 -0.098 0.000 2.350 780 V HA 0.378 4.497 4.120 -0.001 0.000 0.276 780 V C -0.469 175.600 176.094 -0.040 0.000 1.028 780 V CA -0.497 61.766 62.300 -0.062 0.000 0.860 780 V CB 1.278 33.095 31.823 -0.011 0.000 0.990 780 V HN 0.679 nan 8.190 nan 0.000 0.453 781 D N 4.061 124.446 120.400 -0.026 0.000 2.375 781 D HA 0.267 4.907 4.640 -0.001 0.000 0.259 781 D C 0.481 176.797 176.300 0.028 0.000 1.235 781 D CA -0.398 53.606 54.000 0.008 0.000 0.924 781 D CB 1.406 42.220 40.800 0.024 0.000 1.143 781 D HN 0.469 nan 8.370 nan 0.000 0.529 782 I N 2.421 123.013 120.570 0.037 0.000 3.176 782 I HA 0.090 4.260 4.170 -0.001 0.000 0.275 782 I C 1.362 177.505 176.117 0.043 0.000 1.298 782 I CA 1.008 62.336 61.300 0.046 0.000 1.445 782 I CB -0.258 37.779 38.000 0.063 0.000 1.075 782 I HN 0.619 nan 8.210 nan 0.000 0.482 783 G N 0.981 109.802 108.800 0.036 0.000 2.611 783 G HA2 -0.437 3.522 3.960 -0.001 0.000 0.301 783 G HA3 -0.437 3.522 3.960 -0.001 0.000 0.301 783 G C 0.578 175.489 174.900 0.019 0.000 1.233 783 G CA 0.496 45.608 45.100 0.021 0.000 0.993 783 G HN 0.691 nan 8.290 nan 0.000 0.553 784 S N -0.085 115.623 115.700 0.012 0.000 2.573 784 S HA 0.534 5.004 4.470 -0.001 0.000 0.244 784 S C 0.816 175.431 174.600 0.025 0.000 0.984 784 S CA 0.049 58.258 58.200 0.015 0.000 1.001 784 S CB 0.042 63.245 63.200 0.004 0.000 0.788 784 S HN 0.680 nan 8.310 nan 0.000 0.456 785 L N 2.987 124.230 121.223 0.033 0.000 2.415 785 L HA 0.261 4.600 4.340 -0.001 0.000 0.269 785 L C -0.340 176.558 176.870 0.046 0.000 1.244 785 L CA -0.337 54.528 54.840 0.041 0.000 1.113 785 L CB -0.696 41.391 42.059 0.047 0.000 1.352 785 L HN 0.160 nan 8.230 nan 0.000 0.433 786 D N 2.479 122.904 120.400 0.041 0.000 2.400 786 D HA -0.008 4.631 4.640 -0.001 0.000 0.238 786 D C 0.732 177.063 176.300 0.052 0.000 1.157 786 D CA 0.277 54.303 54.000 0.044 0.000 0.889 786 D CB 0.328 41.150 40.800 0.036 0.000 1.199 786 D HN 0.296 nan 8.370 nan 0.000 0.436 787 N N 0.297 119.031 118.700 0.056 0.000 2.725 787 N HA -0.172 4.567 4.740 -0.001 0.000 0.251 787 N C -0.977 174.585 175.510 0.086 0.000 1.031 787 N CA 0.855 53.944 53.050 0.066 0.000 0.720 787 N CB -1.230 37.290 38.487 0.056 0.000 0.930 787 N HN 0.289 nan 8.380 nan 0.000 0.543 788 T N 0.391 115.000 114.554 0.092 0.000 2.886 788 T HA 0.421 4.770 4.350 -0.001 0.000 0.292 788 T C -0.265 174.511 174.700 0.126 0.000 1.012 788 T CA -0.731 61.436 62.100 0.111 0.000 0.982 788 T CB 2.301 71.223 68.868 0.089 0.000 1.018 788 T HN 0.022 nan 8.240 nan 0.000 0.451 789 E N 2.521 122.826 120.200 0.174 0.000 2.199 789 E HA 0.450 4.799 4.350 -0.001 0.000 0.265 789 E C -0.731 175.996 176.600 0.211 0.000 0.882 789 E CA -0.640 55.860 56.400 0.166 0.000 0.759 789 E CB 2.285 32.057 29.700 0.120 0.000 1.148 789 E HN 0.493 nan 8.360 nan 0.000 0.412 790 I N 2.768 123.445 120.570 0.179 0.000 2.331 790 I HA 0.236 4.406 4.170 -0.001 0.000 0.292 790 I C -0.234 176.025 176.117 0.236 0.000 0.998 790 I CA -0.812 60.606 61.300 0.197 0.000 1.267 790 I CB 1.435 39.541 38.000 0.177 0.000 1.386 790 I HN 0.198 nan 8.210 nan 0.000 0.476 791 V N 8.058 128.110 119.914 0.229 0.000 2.628 791 V HA 0.492 4.611 4.120 -0.001 0.000 0.306 791 V C -0.454 175.674 176.094 0.055 0.000 1.045 791 V CA -0.715 61.703 62.300 0.197 0.000 0.905 791 V CB 2.011 34.003 31.823 0.283 0.000 0.997 791 V HN 0.751 nan 8.190 nan 0.000 0.436 792 M N 7.222 126.778 119.600 -0.074 0.000 2.129 792 M HA 0.564 5.043 4.480 -0.001 0.000 0.348 792 M C -0.518 175.624 176.300 -0.262 0.000 1.116 792 M CA -0.412 54.604 55.300 -0.472 0.000 1.022 792 M CB 0.612 32.908 32.600 -0.507 0.000 1.599 792 M HN 0.758 nan 8.290 nan 0.000 0.449 793 R N 4.525 124.855 120.500 -0.283 0.000 2.711 793 R HA 0.723 5.063 4.340 -0.001 0.000 0.284 793 R C -1.942 174.254 176.300 -0.174 0.000 0.968 793 R CA -0.634 55.368 56.100 -0.164 0.000 0.924 793 R CB 1.512 31.734 30.300 -0.129 0.000 1.162 793 R HN 0.806 nan 8.270 nan 0.000 0.465 794 L N 3.053 124.159 121.223 -0.195 0.000 2.313 794 L HA 0.431 4.770 4.340 -0.001 0.000 0.283 794 L C -0.615 176.140 176.870 -0.192 0.000 1.013 794 L CA -0.450 54.208 54.840 -0.303 0.000 0.816 794 L CB 2.015 43.851 42.059 -0.372 0.000 1.236 794 L HN 0.622 nan 8.230 nan 0.000 0.419 795 E N 2.081 122.184 120.200 -0.163 0.000 2.158 795 E HA 0.525 4.874 4.350 -0.001 0.000 0.271 795 E C -0.612 175.931 176.600 -0.095 0.000 0.911 795 E CA -0.475 55.879 56.400 -0.076 0.000 0.767 795 E CB 2.186 31.886 29.700 -0.001 0.000 1.120 795 E HN 0.613 nan 8.360 nan 0.000 0.405 796 T N -1.176 113.335 114.554 -0.072 0.000 2.804 796 T HA 0.320 4.670 4.350 -0.001 0.000 0.290 796 T C 0.103 174.818 174.700 0.025 0.000 1.099 796 T CA -0.701 61.338 62.100 -0.101 0.000 1.011 796 T CB 1.054 69.874 68.868 -0.080 0.000 1.291 796 T HN 0.584 nan 8.240 nan 0.000 0.523 797 H N -0.626 118.433 119.070 -0.019 0.000 2.505 797 H HA 0.415 4.971 4.556 -0.001 0.000 0.289 797 H C 0.104 175.430 175.328 -0.003 0.000 1.052 797 H CA -0.547 55.495 56.048 -0.009 0.000 1.156 797 H CB 0.066 29.822 29.762 -0.009 0.000 1.507 797 H HN 0.317 nan 8.280 nan 0.000 0.548 798 I N 1.703 122.339 120.570 0.109 0.000 2.598 798 I HA -0.112 4.057 4.170 -0.001 0.000 0.284 798 I C 0.481 176.640 176.117 0.071 0.000 1.140 798 I CA 0.186 61.531 61.300 0.075 0.000 1.420 798 I CB 0.525 38.558 38.000 0.055 0.000 1.387 798 I HN 0.164 nan 8.210 nan 0.000 0.553 799 D N 4.560 124.997 120.400 0.062 0.000 2.713 799 D HA 0.029 4.669 4.640 -0.001 0.000 0.229 799 D C 1.266 177.604 176.300 0.064 0.000 1.136 799 D CA -0.017 54.014 54.000 0.052 0.000 1.010 799 D CB 0.354 41.176 40.800 0.037 0.000 1.084 799 D HN 0.549 nan 8.370 nan 0.000 0.495 800 S N 0.282 116.027 115.700 0.074 0.000 2.470 800 S HA 0.233 4.702 4.470 -0.001 0.000 0.225 800 S C 1.625 176.276 174.600 0.085 0.000 1.006 800 S CA 0.324 58.583 58.200 0.098 0.000 0.934 800 S CB -0.173 63.096 63.200 0.116 0.000 0.778 800 S HN 0.530 nan 8.310 nan 0.000 0.517 801 G N 3.154 111.993 108.800 0.065 0.000 2.557 801 G HA2 -0.385 3.575 3.960 -0.001 0.000 0.292 801 G HA3 -0.385 3.575 3.960 -0.001 0.000 0.292 801 G C 0.159 175.100 174.900 0.068 0.000 1.162 801 G CA 0.576 45.710 45.100 0.057 0.000 0.964 801 G HN 0.767 nan 8.290 nan 0.000 0.541 802 D N 0.177 120.622 120.400 0.075 0.000 2.440 802 D HA 0.348 4.988 4.640 -0.001 0.000 0.216 802 D C 0.696 177.080 176.300 0.141 0.000 1.150 802 D CA -0.222 53.840 54.000 0.104 0.000 0.832 802 D CB 0.287 41.133 40.800 0.077 0.000 0.992 802 D HN 0.455 nan 8.370 nan 0.000 0.502 803 I N 1.541 122.177 120.570 0.110 0.000 2.437 803 I HA 0.491 4.660 4.170 -0.001 0.000 0.298 803 I C -0.199 176.007 176.117 0.148 0.000 0.984 803 I CA -1.047 60.263 61.300 0.017 0.000 1.214 803 I CB 0.556 38.532 38.000 -0.039 0.000 1.365 803 I HN -0.030 nan 8.210 nan 0.000 0.469 804 F N 4.524 124.292 119.950 -0.303 0.000 2.745 804 F HA 0.688 5.215 4.527 -0.001 0.000 0.316 804 F C -2.039 173.402 175.800 -0.598 0.000 1.155 804 F CA -1.451 56.394 58.000 -0.259 0.000 0.937 804 F CB 1.179 40.101 39.000 -0.130 0.000 1.361 804 F HN 0.187 nan 8.300 nan 0.000 0.472 805 Y N -0.027 120.046 120.300 -0.379 0.000 2.477 805 Y HA 0.683 5.232 4.550 -0.001 0.000 0.347 805 Y C -0.009 175.719 175.900 -0.287 0.000 0.981 805 Y CA -0.651 57.089 58.100 -0.599 0.000 1.033 805 Y CB 2.476 40.155 38.460 -1.302 0.000 1.245 805 Y HN 0.900 nan 8.280 nan 0.000 0.455 806 T N -1.369 113.109 114.554 -0.128 0.000 2.896 806 T HA 0.477 4.826 4.350 -0.001 0.000 0.297 806 T C -1.116 173.402 174.700 -0.303 0.000 1.108 806 T CA -1.077 60.968 62.100 -0.092 0.000 1.004 806 T CB 2.031 70.823 68.868 -0.128 0.000 1.159 806 T HN 0.581 nan 8.240 nan 0.000 0.499 807 D N 1.142 121.214 120.400 -0.547 0.000 2.340 807 D HA 0.372 5.011 4.640 -0.001 0.000 0.251 807 D C -0.597 175.433 176.300 -0.451 0.000 1.080 807 D CA -0.809 52.678 54.000 -0.854 0.000 0.971 807 D CB 1.246 41.271 40.800 -1.292 0.000 1.137 807 D HN 0.559 nan 8.370 nan 0.000 0.475 808 L N 0.923 121.923 121.223 -0.372 0.000 2.316 808 L HA 0.216 4.555 4.340 -0.001 0.000 0.280 808 L C -0.094 176.651 176.870 -0.208 0.000 1.006 808 L CA -0.768 53.944 54.840 -0.213 0.000 0.836 808 L CB 0.455 42.453 42.059 -0.102 0.000 1.221 808 L HN 0.457 nan 8.230 nan 0.000 0.418 809 N N 2.140 120.725 118.700 -0.192 0.000 2.714 809 N HA -0.232 4.507 4.740 -0.001 0.000 0.250 809 N C 0.969 176.265 175.510 -0.356 0.000 1.117 809 N CA 0.907 53.843 53.050 -0.190 0.000 0.719 809 N CB -1.051 37.404 38.487 -0.054 0.000 1.081 809 N HN 1.079 nan 8.380 nan 0.000 0.557 810 G N -1.655 106.936 108.800 -0.348 0.000 2.155 810 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.257 810 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.257 810 G C 0.608 175.489 174.900 -0.032 0.000 0.983 810 G CA 0.659 45.584 45.100 -0.293 0.000 0.676 810 G HN 0.480 nan 8.290 nan 0.000 0.528 811 L N -0.368 120.769 121.223 -0.144 0.000 2.467 811 L HA 0.502 4.842 4.340 -0.001 0.000 0.213 811 L C 0.982 177.734 176.870 -0.197 0.000 1.053 811 L CA 1.940 56.607 54.840 -0.288 0.000 0.847 811 L CB 0.159 41.892 42.059 -0.543 0.000 1.075 811 L HN 0.697 nan 8.230 nan 0.000 0.479 812 Q N -1.731 117.956 119.800 -0.187 0.000 2.435 812 Q HA 0.363 4.702 4.340 -0.001 0.000 0.282 812 Q C -1.693 174.189 176.000 -0.197 0.000 1.020 812 Q CA -0.738 55.019 55.803 -0.077 0.000 0.820 812 Q CB 1.178 29.927 28.738 0.020 0.000 1.436 812 Q HN -0.041 nan 8.270 nan 0.000 0.395 813 F N 1.362 121.271 119.950 -0.069 0.000 2.436 813 F HA 0.598 5.124 4.527 -0.001 0.000 0.340 813 F C -0.176 175.585 175.800 -0.064 0.000 1.113 813 F CA -0.842 57.128 58.000 -0.051 0.000 1.022 813 F CB 1.654 40.670 39.000 0.028 0.000 1.128 813 F HN 0.538 nan 8.300 nan 0.000 0.466 814 I N 3.745 124.311 120.570 -0.007 0.000 2.474 814 I HA 0.336 4.505 4.170 -0.001 0.000 0.294 814 I C -0.500 175.462 176.117 -0.258 0.000 1.005 814 I CA -0.886 60.358 61.300 -0.093 0.000 1.113 814 I CB 1.293 39.190 38.000 -0.171 0.000 1.289 814 I HN 0.501 nan 8.210 nan 0.000 0.436 815 K N 6.674 126.876 120.400 -0.330 0.000 2.412 815 K HA 0.249 4.569 4.320 -0.001 0.000 0.281 815 K C -0.811 175.327 176.600 -0.770 0.000 1.027 815 K CA -0.335 55.480 56.287 -0.787 0.000 0.989 815 K CB 0.501 32.689 32.500 -0.521 0.000 0.935 815 K HN 0.499 nan 8.250 nan 0.000 0.475 816 R N 3.160 123.020 120.500 -1.067 0.000 2.732 816 R HA 0.358 4.698 4.340 -0.001 0.000 0.278 816 R C -0.505 175.301 176.300 -0.823 0.000 0.976 816 R CA -0.793 54.619 56.100 -1.147 0.000 0.963 816 R CB 1.538 30.613 30.300 -2.042 0.000 1.150 816 R HN 0.668 nan 8.270 nan 0.000 0.478 817 R N 1.452 121.690 120.500 -0.437 0.000 2.476 817 R HA 0.290 4.629 4.340 -0.001 0.000 0.305 817 R C -0.495 175.853 176.300 0.080 0.000 0.965 817 R CA -0.656 55.361 56.100 -0.139 0.000 0.867 817 R CB 1.479 31.735 30.300 -0.074 0.000 1.176 817 R HN 0.526 nan 8.270 nan 0.000 0.447 818 R N 4.827 125.482 120.500 0.260 0.000 2.522 818 R HA 0.106 4.446 4.340 -0.001 0.000 0.284 818 R C -0.935 175.449 176.300 0.141 0.000 1.032 818 R CA 0.306 56.579 56.100 0.288 0.000 1.049 818 R CB 0.383 30.834 30.300 0.252 0.000 0.956 818 R HN 0.543 nan 8.270 nan 0.000 0.422 819 L N 4.760 126.043 121.223 0.100 0.000 2.343 819 L HA 0.220 4.559 4.340 -0.001 0.000 0.278 819 L C 0.232 177.099 176.870 -0.006 0.000 0.996 819 L CA -0.693 54.165 54.840 0.031 0.000 0.831 819 L CB 2.045 44.094 42.059 -0.017 0.000 1.232 819 L HN 0.650 nan 8.230 nan 0.000 0.413 820 D N 1.577 121.980 120.400 0.005 0.000 2.371 820 D HA -0.105 4.535 4.640 -0.001 0.000 0.221 820 D C 1.625 177.912 176.300 -0.022 0.000 0.986 820 D CA 0.737 54.735 54.000 -0.004 0.000 0.899 820 D CB 0.366 41.172 40.800 0.011 0.000 0.902 820 D HN 0.555 nan 8.370 nan 0.000 0.530 821 K N 0.216 120.595 120.400 -0.035 0.000 2.486 821 K HA 0.029 4.348 4.320 -0.001 0.000 0.194 821 K C 0.649 177.188 176.600 -0.103 0.000 1.033 821 K CA 0.326 56.590 56.287 -0.038 0.000 1.004 821 K CB 0.344 32.842 32.500 -0.003 0.000 0.798 821 K HN 0.093 nan 8.250 nan 0.000 0.495 822 L N 2.314 123.437 121.223 -0.166 0.000 2.330 822 L HA 0.469 4.808 4.340 -0.001 0.000 0.271 822 L C -2.272 174.491 176.870 -0.178 0.000 1.013 822 L CA -2.898 51.795 54.840 -0.246 0.000 0.816 822 L CB 1.558 43.373 42.059 -0.406 0.000 1.287 822 L HN -0.045 nan 8.230 nan 0.000 0.435 823 P HA 0.049 nan 4.420 nan 0.000 0.274 823 P C 0.838 178.018 177.300 -0.199 0.000 1.246 823 P CA -0.449 62.558 63.100 -0.155 0.000 0.795 823 P CB 1.314 32.948 31.700 -0.110 0.000 1.006 824 L N 0.840 121.978 121.223 -0.142 0.000 2.021 824 L HA -0.277 4.062 4.340 -0.001 0.000 0.215 824 L C 2.505 179.293 176.870 -0.135 0.000 1.074 824 L CA 1.946 56.727 54.840 -0.098 0.000 0.760 824 L CB -0.665 41.338 42.059 -0.093 0.000 0.889 824 L HN 0.428 nan 8.230 nan 0.000 0.433 825 Q N -0.297 119.308 119.800 -0.325 0.000 2.291 825 Q HA -0.167 4.172 4.340 -0.001 0.000 0.206 825 Q C 1.848 177.751 176.000 -0.162 0.000 0.976 825 Q CA 1.504 57.142 55.803 -0.275 0.000 0.875 825 Q CB -0.503 27.990 28.738 -0.408 0.000 0.927 825 Q HN 0.613 nan 8.270 nan 0.000 0.450 826 A N 1.417 123.932 122.820 -0.508 0.000 2.067 826 A HA -0.028 4.292 4.320 -0.001 0.000 0.217 826 A C 1.626 179.010 177.584 -0.333 0.000 1.156 826 A CA 0.693 52.269 52.037 -0.768 0.000 0.683 826 A CB -0.150 17.988 19.000 -1.435 0.000 0.808 826 A HN 0.337 nan 8.150 nan 0.000 0.455 827 N N -1.120 117.503 118.700 -0.129 0.000 2.398 827 N HA 0.054 4.793 4.740 -0.001 0.000 0.188 827 N C -0.853 174.744 175.510 0.144 0.000 1.122 827 N CA 0.201 53.292 53.050 0.069 0.000 0.866 827 N CB 0.039 38.620 38.487 0.155 0.000 0.970 827 N HN 0.457 nan 8.380 nan 0.000 0.462 828 Y N 0.313 120.565 120.300 -0.081 0.000 2.319 828 Y HA 0.189 4.738 4.550 -0.001 0.000 0.328 828 Y C -0.158 175.688 175.900 -0.089 0.000 1.133 828 Y CA -0.089 58.048 58.100 0.063 0.000 1.265 828 Y CB 0.359 38.932 38.460 0.188 0.000 1.218 828 Y HN -0.063 nan 8.280 nan 0.000 0.508 829 Y N 3.312 123.759 120.300 0.244 0.000 2.605 829 Y HA 0.455 5.005 4.550 -0.001 0.000 0.343 829 Y C -2.292 173.327 175.900 -0.469 0.000 1.036 829 Y CA -2.972 55.126 58.100 -0.002 0.000 1.065 829 Y CB 1.398 39.843 38.460 -0.026 0.000 1.288 829 Y HN 0.445 nan 8.280 nan 0.000 0.481 830 P HA 0.109 nan 4.420 nan 0.000 0.268 830 P C -0.661 176.404 177.300 -0.392 0.000 1.204 830 P CA 0.288 62.808 63.100 -0.967 0.000 0.768 830 P CB 0.481 31.515 31.700 -1.110 0.000 0.842 831 I N 5.273 125.697 120.570 -0.243 0.000 2.620 831 I HA 0.172 4.341 4.170 -0.001 0.000 0.280 831 I C -1.733 174.318 176.117 -0.110 0.000 1.143 831 I CA -2.453 58.774 61.300 -0.121 0.000 1.163 831 I CB 0.777 38.764 38.000 -0.022 0.000 1.461 831 I HN 0.197 nan 8.210 nan 0.000 0.530 832 P HA -0.042 nan 4.420 nan 0.000 0.222 832 P C 1.077 178.348 177.300 -0.050 0.000 1.153 832 P CA 1.141 64.170 63.100 -0.118 0.000 0.798 832 P CB 0.587 32.185 31.700 -0.171 0.000 0.796 833 S N -3.405 112.269 115.700 -0.043 0.000 2.615 833 S HA 0.459 4.928 4.470 -0.001 0.000 0.277 833 S C 0.560 175.253 174.600 0.155 0.000 1.068 833 S CA 0.316 58.550 58.200 0.056 0.000 1.315 833 S CB 0.312 63.566 63.200 0.089 0.000 1.193 833 S HN 0.294 nan 8.310 nan 0.000 0.656 834 G N 1.605 110.500 108.800 0.159 0.000 2.489 834 G HA2 0.566 4.525 3.960 -0.001 0.000 0.291 834 G HA3 0.566 4.525 3.960 -0.001 0.000 0.291 834 G C -1.428 173.727 174.900 0.425 0.000 1.487 834 G CA -0.489 44.837 45.100 0.377 0.000 0.795 834 G HN 0.844 nan 8.290 nan 0.000 0.513 835 M N -0.459 119.407 119.600 0.444 0.000 2.578 835 M HA 0.888 5.368 4.480 -0.001 0.000 0.276 835 M C -1.739 174.802 176.300 0.402 0.000 1.245 835 M CA -1.036 54.487 55.300 0.373 0.000 0.871 835 M CB 2.532 35.259 32.600 0.213 0.000 1.722 835 M HN 1.114 nan 8.290 nan 0.000 0.473 836 F N 0.866 120.966 119.950 0.250 0.000 2.668 836 F HA 0.911 5.437 4.527 -0.001 0.000 0.309 836 F C -1.710 174.228 175.800 0.229 0.000 1.117 836 F CA -1.177 56.908 58.000 0.142 0.000 0.951 836 F CB 1.186 40.178 39.000 -0.014 0.000 1.323 836 F HN 0.774 nan 8.300 nan 0.000 0.451 837 I N -0.144 120.662 120.570 0.393 0.000 2.785 837 I HA 0.879 5.048 4.170 -0.001 0.000 0.302 837 I C -1.397 174.907 176.117 0.313 0.000 1.069 837 I CA -0.903 60.593 61.300 0.327 0.000 1.045 837 I CB 2.408 40.517 38.000 0.182 0.000 1.236 837 I HN 0.950 nan 8.210 nan 0.000 0.429 838 E N 1.992 122.360 120.200 0.279 0.000 2.412 838 E HA 0.546 4.895 4.350 -0.001 0.000 0.279 838 E C -2.041 174.643 176.600 0.141 0.000 0.984 838 E CA -0.835 55.673 56.400 0.179 0.000 0.788 838 E CB 2.273 32.069 29.700 0.160 0.000 1.277 838 E HN 0.738 nan 8.360 nan 0.000 0.455 839 D N 0.598 121.050 120.400 0.087 0.000 2.784 839 D HA 0.453 5.092 4.640 -0.001 0.000 0.256 839 D C 0.915 177.244 176.300 0.048 0.000 1.129 839 D CA -0.173 53.870 54.000 0.071 0.000 1.102 839 D CB -0.011 40.823 40.800 0.057 0.000 1.330 839 D HN 0.447 nan 8.370 nan 0.000 0.626 840 A N -0.714 122.128 122.820 0.036 0.000 1.978 840 A HA -0.165 4.155 4.320 -0.001 0.000 0.220 840 A C 1.529 179.117 177.584 0.007 0.000 1.170 840 A CA 1.576 53.626 52.037 0.022 0.000 0.636 840 A CB -0.727 18.284 19.000 0.018 0.000 0.810 840 A HN 0.516 nan 8.150 nan 0.000 0.448 841 N N -1.739 116.965 118.700 0.006 0.000 2.397 841 N HA 0.071 4.810 4.740 -0.001 0.000 0.190 841 N C -0.432 175.069 175.510 -0.015 0.000 1.099 841 N CA 0.760 53.806 53.050 -0.006 0.000 0.876 841 N CB 0.635 39.120 38.487 -0.003 0.000 1.143 841 N HN 0.308 nan 8.380 nan 0.000 0.468 842 T N 0.564 115.114 114.554 -0.006 0.000 2.893 842 T HA 0.445 4.794 4.350 -0.001 0.000 0.293 842 T C -0.607 174.087 174.700 -0.010 0.000 1.027 842 T CA -0.653 61.438 62.100 -0.015 0.000 0.988 842 T CB 2.845 71.711 68.868 -0.004 0.000 1.043 842 T HN -0.042 nan 8.240 nan 0.000 0.461 843 R N 1.993 122.469 120.500 -0.040 0.000 2.686 843 R HA 0.737 5.076 4.340 -0.001 0.000 0.286 843 R C -1.918 174.358 176.300 -0.040 0.000 0.969 843 R CA -0.909 55.168 56.100 -0.040 0.000 0.898 843 R CB 1.279 31.486 30.300 -0.154 0.000 1.183 843 R HN 0.463 nan 8.270 nan 0.000 0.456 844 L N 2.704 123.934 121.223 0.011 0.000 2.349 844 L HA 0.494 4.834 4.340 -0.001 0.000 0.278 844 L C -1.298 175.608 176.870 0.060 0.000 0.996 844 L CA 0.078 54.917 54.840 -0.001 0.000 0.825 844 L CB 2.263 44.309 42.059 -0.021 0.000 1.243 844 L HN 0.640 nan 8.230 nan 0.000 0.412 845 T N 5.678 120.245 114.554 0.022 0.000 2.807 845 T HA 0.546 4.896 4.350 -0.001 0.000 0.279 845 T C -1.001 173.758 174.700 0.098 0.000 0.993 845 T CA -0.275 61.877 62.100 0.086 0.000 0.970 845 T CB 1.379 70.219 68.868 -0.046 0.000 0.950 845 T HN 0.433 nan 8.240 nan 0.000 0.441 846 L N 5.234 126.552 121.223 0.158 0.000 2.294 846 L HA 0.512 4.851 4.340 -0.001 0.000 0.283 846 L C -1.200 175.813 176.870 0.239 0.000 1.015 846 L CA -0.703 54.241 54.840 0.173 0.000 0.831 846 L CB 0.465 42.605 42.059 0.135 0.000 1.217 846 L HN 0.420 nan 8.230 nan 0.000 0.420 847 L N 3.790 125.155 121.223 0.238 0.000 2.343 847 L HA 0.642 4.981 4.340 -0.001 0.000 0.275 847 L C 0.545 177.566 176.870 0.252 0.000 1.056 847 L CA -0.258 54.722 54.840 0.234 0.000 0.804 847 L CB 1.402 43.564 42.059 0.171 0.000 1.203 847 L HN 0.752 nan 8.230 nan 0.000 0.440 848 T N -2.475 112.180 114.554 0.169 0.000 2.908 848 T HA 0.608 4.957 4.350 -0.001 0.000 0.290 848 T C 0.644 175.309 174.700 -0.058 0.000 1.034 848 T CA -0.318 61.800 62.100 0.029 0.000 1.010 848 T CB 1.944 70.838 68.868 0.043 0.000 1.068 848 T HN 0.678 nan 8.240 nan 0.000 0.481 849 G N 1.243 109.934 108.800 -0.181 0.000 3.284 849 G HA2 0.425 4.384 3.960 -0.001 0.000 0.236 849 G HA3 0.425 4.384 3.960 -0.001 0.000 0.236 849 G C 0.146 174.983 174.900 -0.105 0.000 1.158 849 G CA -0.316 44.707 45.100 -0.127 0.000 0.774 849 G HN 0.963 nan 8.290 nan 0.000 0.545 850 Q N -0.208 119.529 119.800 -0.106 0.000 2.479 850 Q HA 0.283 4.623 4.340 -0.001 0.000 0.276 850 Q C -3.552 172.417 176.000 -0.053 0.000 0.989 850 Q CA -2.226 53.541 55.803 -0.060 0.000 0.864 850 Q CB 1.807 30.526 28.738 -0.032 0.000 1.444 850 Q HN -0.000 nan 8.270 nan 0.000 0.388 851 P HA 0.457 nan 4.420 nan 0.000 0.281 851 P C -0.683 176.613 177.300 -0.007 0.000 1.252 851 P CA -0.144 62.946 63.100 -0.017 0.000 0.778 851 P CB 0.986 32.683 31.700 -0.005 0.000 0.895 852 L N 1.662 122.876 121.223 -0.016 0.000 2.403 852 L HA 0.683 5.023 4.340 -0.001 0.000 0.253 852 L C 0.759 177.657 176.870 0.046 0.000 1.045 852 L CA -1.145 53.709 54.840 0.024 0.000 0.845 852 L CB 2.072 44.130 42.059 -0.003 0.000 1.447 852 L HN 0.339 nan 8.230 nan 0.000 0.411 853 G N -0.998 107.888 108.800 0.144 0.000 2.425 853 G HA2 0.686 4.645 3.960 -0.001 0.000 0.302 853 G HA3 0.686 4.645 3.960 -0.001 0.000 0.302 853 G C -0.518 174.430 174.900 0.080 0.000 1.159 853 G CA 0.079 45.325 45.100 0.243 0.000 0.865 853 G HN 0.875 nan 8.290 nan 0.000 0.515 854 G N -1.467 107.191 108.800 -0.238 0.000 2.550 854 G HA2 0.681 4.641 3.960 -0.001 0.000 0.293 854 G HA3 0.681 4.641 3.960 -0.001 0.000 0.293 854 G C -1.173 173.272 174.900 -0.759 0.000 1.402 854 G CA 0.462 45.212 45.100 -0.582 0.000 0.784 854 G HN 1.322 nan 8.290 nan 0.000 0.482 855 S N -1.902 113.422 115.700 -0.628 0.000 2.683 855 S HA 0.716 5.186 4.470 -0.001 0.000 0.269 855 S C -1.581 172.558 174.600 -0.769 0.000 1.165 855 S CA 0.357 58.182 58.200 -0.625 0.000 0.840 855 S CB 1.265 64.155 63.200 -0.518 0.000 1.169 855 S HN 1.602 nan 8.310 nan 0.000 0.490 856 S N 1.610 116.553 115.700 -1.261 0.000 2.718 856 S HA 0.502 4.972 4.470 -0.001 0.000 0.294 856 S C 0.106 174.442 174.600 -0.441 0.000 1.157 856 S CA -0.642 57.088 58.200 -0.782 0.000 1.121 856 S CB 0.048 62.740 63.200 -0.846 0.000 1.015 856 S HN 0.579 nan 8.310 nan 0.000 0.479 857 L N 3.210 124.318 121.223 -0.190 0.000 2.567 857 L HA 0.509 4.848 4.340 -0.001 0.000 0.225 857 L C 0.831 177.689 176.870 -0.019 0.000 1.119 857 L CA 0.241 55.051 54.840 -0.049 0.000 0.871 857 L CB 0.084 42.175 42.059 0.053 0.000 1.036 857 L HN 0.709 nan 8.230 nan 0.000 0.459 858 A N -1.255 121.541 122.820 -0.040 0.000 2.612 858 A HA 0.455 4.774 4.320 -0.001 0.000 0.293 858 A C -0.456 177.122 177.584 -0.010 0.000 1.075 858 A CA -0.435 51.597 52.037 -0.008 0.000 0.680 858 A CB 1.211 20.214 19.000 0.004 0.000 1.279 858 A HN -0.144 nan 8.150 nan 0.000 0.411 859 S N -0.169 115.540 115.700 0.015 0.000 2.558 859 S HA 0.390 4.859 4.470 -0.001 0.000 0.293 859 S C 1.545 176.160 174.600 0.025 0.000 1.292 859 S CA 1.940 60.156 58.200 0.027 0.000 1.063 859 S CB -0.050 63.171 63.200 0.034 0.000 0.831 859 S HN 2.656 nan 8.310 nan 0.000 0.499 860 G N 3.344 112.162 108.800 0.030 0.000 2.184 860 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.264 860 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.264 860 G C -0.161 174.732 174.900 -0.011 0.000 0.975 860 G CA 0.539 45.656 45.100 0.028 0.000 0.642 860 G HN 0.725 nan 8.290 nan 0.000 0.536 861 E N -0.481 119.698 120.200 -0.036 0.000 2.202 861 E HA 0.750 5.099 4.350 -0.001 0.000 0.272 861 E C -0.168 176.364 176.600 -0.112 0.000 0.951 861 E CA -0.721 55.635 56.400 -0.074 0.000 0.813 861 E CB 1.773 31.430 29.700 -0.073 0.000 1.151 861 E HN 0.245 nan 8.360 nan 0.000 0.398 862 L N 1.887 123.038 121.223 -0.120 0.000 2.381 862 L HA 0.473 4.812 4.340 -0.001 0.000 0.268 862 L C -0.529 176.264 176.870 -0.128 0.000 0.997 862 L CA -0.627 54.133 54.840 -0.134 0.000 0.818 862 L CB 1.953 43.963 42.059 -0.082 0.000 1.310 862 L HN 0.662 nan 8.230 nan 0.000 0.416 863 E N 2.982 123.098 120.200 -0.139 0.000 2.390 863 E HA 0.699 5.048 4.350 -0.001 0.000 0.277 863 E C -1.546 175.005 176.600 -0.082 0.000 0.939 863 E CA -0.846 55.505 56.400 -0.083 0.000 0.769 863 E CB 3.338 33.035 29.700 -0.005 0.000 1.251 863 E HN 0.531 nan 8.360 nan 0.000 0.450 864 I N 2.269 122.830 120.570 -0.015 0.000 2.571 864 I HA 0.316 4.486 4.170 -0.001 0.000 0.289 864 I C -1.383 174.802 176.117 0.113 0.000 1.115 864 I CA -1.087 60.230 61.300 0.028 0.000 1.045 864 I CB 1.897 39.915 38.000 0.030 0.000 1.238 864 I HN 0.783 nan 8.210 nan 0.000 0.424 865 M N 6.361 126.068 119.600 0.179 0.000 2.228 865 M HA 0.215 4.694 4.480 -0.001 0.000 0.351 865 M C 0.597 177.001 176.300 0.174 0.000 1.233 865 M CA 0.648 56.060 55.300 0.187 0.000 1.129 865 M CB 0.906 33.587 32.600 0.135 0.000 1.604 865 M HN 0.586 nan 8.290 nan 0.000 0.457 866 Q N 1.435 121.373 119.800 0.229 0.000 2.287 866 Q HA 0.251 4.590 4.340 -0.001 0.000 0.201 866 Q C -0.247 175.968 176.000 0.359 0.000 0.946 866 Q CA 0.854 56.862 55.803 0.342 0.000 0.868 866 Q CB 0.348 29.318 28.738 0.386 0.000 0.967 866 Q HN 0.766 nan 8.270 nan 0.000 0.516 867 D N -0.921 119.621 120.400 0.237 0.000 2.671 867 D HA 0.300 4.939 4.640 -0.001 0.000 0.273 867 D C -1.421 174.957 176.300 0.130 0.000 1.264 867 D CA -0.496 53.620 54.000 0.194 0.000 0.788 867 D CB 1.493 42.399 40.800 0.177 0.000 1.324 867 D HN 0.042 nan 8.370 nan 0.000 0.424 868 R N 0.794 121.358 120.500 0.108 0.000 2.584 868 R HA 0.691 5.030 4.340 -0.001 0.000 0.276 868 R C -1.088 175.261 176.300 0.082 0.000 1.046 868 R CA -1.052 55.094 56.100 0.077 0.000 0.906 868 R CB 2.121 32.436 30.300 0.025 0.000 1.215 868 R HN 0.322 nan 8.270 nan 0.000 0.449 869 R N 3.651 124.197 120.500 0.077 0.000 2.451 869 R HA 0.481 4.821 4.340 -0.001 0.000 0.307 869 R C -1.494 174.844 176.300 0.063 0.000 0.965 869 R CA -0.585 55.556 56.100 0.070 0.000 0.865 869 R CB 1.338 31.677 30.300 0.066 0.000 1.174 869 R HN 0.714 nan 8.270 nan 0.000 0.455 870 L N 3.999 125.256 121.223 0.056 0.000 2.406 870 L HA 0.511 4.850 4.340 -0.001 0.000 0.272 870 L C 0.693 177.588 176.870 0.042 0.000 0.980 870 L CA -0.540 54.330 54.840 0.050 0.000 0.831 870 L CB 2.157 44.245 42.059 0.048 0.000 1.253 870 L HN 0.822 nan 8.230 nan 0.000 0.406 871 A N 1.627 124.469 122.820 0.037 0.000 2.067 871 A HA 0.158 4.478 4.320 -0.001 0.000 0.217 871 A C 0.942 178.541 177.584 0.026 0.000 1.156 871 A CA 0.662 52.718 52.037 0.031 0.000 0.683 871 A CB 0.034 19.050 19.000 0.027 0.000 0.808 871 A HN 0.601 nan 8.150 nan 0.000 0.455 872 S N -0.199 115.515 115.700 0.024 0.000 2.593 872 S HA 0.415 4.885 4.470 -0.001 0.000 0.297 872 S C -0.637 173.977 174.600 0.025 0.000 1.112 872 S CA -0.669 57.543 58.200 0.019 0.000 1.043 872 S CB 1.476 64.681 63.200 0.009 0.000 1.054 872 S HN 0.483 nan 8.310 nan 0.000 0.516 873 D N 0.427 120.843 120.400 0.026 0.000 2.339 873 D HA 0.183 4.822 4.640 -0.001 0.000 0.245 873 D C -0.052 176.263 176.300 0.026 0.000 1.115 873 D CA -0.289 53.734 54.000 0.039 0.000 0.917 873 D CB 0.650 41.475 40.800 0.041 0.000 1.192 873 D HN 0.507 nan 8.370 nan 0.000 0.428 874 D N 1.899 122.322 120.400 0.038 0.000 2.463 874 D HA 0.057 4.696 4.640 -0.001 0.000 0.224 874 D C -0.375 175.897 176.300 -0.047 0.000 1.174 874 D CA -0.241 53.751 54.000 -0.014 0.000 0.829 874 D CB -0.289 40.491 40.800 -0.032 0.000 0.993 874 D HN 0.610 nan 8.370 nan 0.000 0.497 875 E N -0.115 120.083 120.200 -0.004 0.000 2.694 875 E HA -0.209 4.140 4.350 -0.001 0.000 0.272 875 E C 0.260 176.842 176.600 -0.031 0.000 1.040 875 E CA 0.227 56.621 56.400 -0.010 0.000 0.809 875 E CB -0.911 28.773 29.700 -0.026 0.000 1.389 875 E HN 0.295 nan 8.360 nan 0.000 0.413 876 R N -0.575 119.898 120.500 -0.044 0.000 2.508 876 R HA 0.216 4.556 4.340 -0.001 0.000 0.300 876 R C 1.454 177.842 176.300 0.146 0.000 0.970 876 R CA 0.716 56.742 56.100 -0.123 0.000 1.102 876 R CB 1.132 31.020 30.300 -0.686 0.000 1.246 876 R HN 0.400 nan 8.270 nan 0.000 0.539 877 G N 0.727 109.685 108.800 0.264 0.000 2.211 877 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.201 877 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.201 877 G C 0.694 175.773 174.900 0.298 0.000 0.997 877 G CA 0.162 45.498 45.100 0.394 0.000 0.652 877 G HN 0.259 nan 8.290 nan 0.000 0.500 878 L N 1.510 122.979 121.223 0.409 0.000 2.156 878 L HA 0.460 4.799 4.340 -0.001 0.000 0.208 878 L C 2.176 179.045 176.870 -0.001 0.000 1.095 878 L CA 2.668 57.615 54.840 0.179 0.000 0.770 878 L CB -0.548 41.752 42.059 0.401 0.000 0.914 878 L HN 1.653 nan 8.230 nan 0.000 0.439 879 G N -0.388 108.446 108.800 0.057 0.000 2.160 879 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.251 879 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.251 879 G C 0.071 174.980 174.900 0.015 0.000 1.008 879 G CA 0.628 45.738 45.100 0.017 0.000 0.724 879 G HN 0.787 nan 8.290 nan 0.000 0.514 880 Q N -1.961 117.861 119.800 0.037 0.000 2.578 880 Q HA 0.670 5.009 4.340 -0.001 0.000 0.284 880 Q C 0.431 176.459 176.000 0.046 0.000 0.960 880 Q CA -0.588 55.235 55.803 0.034 0.000 0.809 880 Q CB 0.497 29.252 28.738 0.027 0.000 1.462 880 Q HN 0.936 nan 8.270 nan 0.000 0.392 881 G N 0.164 108.987 108.800 0.039 0.000 2.504 881 G HA2 0.484 4.443 3.960 -0.001 0.000 0.257 881 G HA3 0.484 4.443 3.960 -0.001 0.000 0.257 881 G C -0.880 174.048 174.900 0.046 0.000 1.451 881 G CA -0.549 44.576 45.100 0.041 0.000 1.059 881 G HN 0.428 nan 8.290 nan 0.000 0.550 882 V N 0.777 120.720 119.914 0.049 0.000 2.305 882 V HA 0.352 4.471 4.120 -0.001 0.000 0.275 882 V C 0.030 176.161 176.094 0.061 0.000 1.020 882 V CA -0.161 62.176 62.300 0.060 0.000 0.811 882 V CB 0.961 32.824 31.823 0.066 0.000 1.031 882 V HN 0.536 nan 8.190 nan 0.000 0.439 883 L N 3.431 124.689 121.223 0.058 0.000 3.358 883 L HA 0.335 4.674 4.340 -0.001 0.000 0.301 883 L C 0.503 177.404 176.870 0.051 0.000 1.276 883 L CA 0.024 54.895 54.840 0.050 0.000 1.028 883 L CB 0.727 42.809 42.059 0.039 0.000 1.421 883 L HN 0.678 nan 8.230 nan 0.000 0.604 884 D N -2.268 118.171 120.400 0.066 0.000 2.559 884 D HA 0.064 4.703 4.640 -0.001 0.000 0.234 884 D C 0.128 176.475 176.300 0.078 0.000 1.226 884 D CA -0.469 53.571 54.000 0.067 0.000 0.830 884 D CB -0.362 40.485 40.800 0.078 0.000 1.028 884 D HN 0.068 nan 8.370 nan 0.000 0.492 885 N N 1.692 120.436 118.700 0.074 0.000 2.395 885 N HA 0.105 4.845 4.740 -0.001 0.000 0.246 885 N C 0.172 175.699 175.510 0.029 0.000 1.246 885 N CA 0.367 53.462 53.050 0.075 0.000 0.879 885 N CB 0.646 39.175 38.487 0.072 0.000 1.098 885 N HN 0.321 nan 8.380 nan 0.000 0.444 886 K N -0.386 120.017 120.400 0.006 0.000 2.512 886 K HA 0.563 4.883 4.320 -0.001 0.000 0.263 886 K C -3.238 173.340 176.600 -0.037 0.000 0.966 886 K CA -2.060 54.185 56.287 -0.069 0.000 0.851 886 K CB 1.280 33.650 32.500 -0.216 0.000 1.395 886 K HN 0.124 nan 8.250 nan 0.000 0.440 887 P HA -0.025 nan 4.420 nan 0.000 0.264 887 P C -1.028 176.295 177.300 0.038 0.000 1.183 887 P CA -0.415 62.674 63.100 -0.020 0.000 0.763 887 P CB 0.734 32.413 31.700 -0.036 0.000 0.807 888 V N 5.147 125.053 119.914 -0.013 0.000 2.841 888 V HA 0.471 4.590 4.120 -0.001 0.000 0.310 888 V C -1.299 174.671 176.094 -0.207 0.000 1.090 888 V CA -1.114 61.156 62.300 -0.049 0.000 0.930 888 V CB 2.115 33.890 31.823 -0.080 0.000 1.014 888 V HN 0.280 nan 8.190 nan 0.000 0.425 889 L N 6.975 128.102 121.223 -0.160 0.000 2.270 889 L HA 0.589 4.928 4.340 -0.001 0.000 0.286 889 L C -0.376 176.469 176.870 -0.043 0.000 1.059 889 L CA 0.158 54.935 54.840 -0.106 0.000 0.839 889 L CB 0.323 42.343 42.059 -0.066 0.000 1.221 889 L HN 0.696 nan 8.230 nan 0.000 0.431 890 H N 5.737 124.822 119.070 0.026 0.000 2.525 890 H HA 0.481 5.036 4.556 -0.001 0.000 0.339 890 H C -0.091 175.122 175.328 -0.193 0.000 1.109 890 H CA -0.235 55.767 56.048 -0.077 0.000 1.352 890 H CB 1.302 31.084 29.762 0.033 0.000 1.461 890 H HN 0.696 nan 8.280 nan 0.000 0.533 891 I N 0.242 120.634 120.570 -0.298 0.000 2.740 891 I HA 0.615 4.784 4.170 -0.001 0.000 0.303 891 I C -1.429 174.323 176.117 -0.609 0.000 1.044 891 I CA -0.939 60.192 61.300 -0.280 0.000 1.064 891 I CB 2.139 40.079 38.000 -0.099 0.000 1.249 891 I HN 0.251 nan 8.210 nan 0.000 0.433 892 Y N 2.465 122.810 120.300 0.076 0.000 2.638 892 Y HA 0.680 5.229 4.550 -0.001 0.000 0.335 892 Y C -0.638 175.310 175.900 0.081 0.000 1.155 892 Y CA -1.089 57.063 58.100 0.086 0.000 1.046 892 Y CB 1.594 40.127 38.460 0.120 0.000 1.303 892 Y HN 0.419 nan 8.280 nan 0.000 0.460 893 R N 1.431 122.088 120.500 0.262 0.000 2.670 893 R HA 0.617 4.956 4.340 -0.001 0.000 0.289 893 R C -1.892 174.517 176.300 0.182 0.000 0.965 893 R CA -1.152 55.056 56.100 0.181 0.000 0.899 893 R CB 2.605 32.970 30.300 0.108 0.000 1.173 893 R HN 0.647 nan 8.270 nan 0.000 0.456 894 L N 2.355 123.666 121.223 0.146 0.000 2.319 894 L HA 0.439 4.778 4.340 -0.001 0.000 0.281 894 L C -1.240 175.658 176.870 0.046 0.000 1.005 894 L CA -0.560 54.342 54.840 0.104 0.000 0.828 894 L CB 1.834 43.967 42.059 0.124 0.000 1.227 894 L HN 0.312 nan 8.230 nan 0.000 0.415 895 V N 6.281 126.205 119.914 0.017 0.000 2.349 895 V HA 0.406 4.525 4.120 -0.001 0.000 0.284 895 V C -0.406 175.661 176.094 -0.044 0.000 1.014 895 V CA -0.561 61.730 62.300 -0.015 0.000 0.826 895 V CB 1.410 33.216 31.823 -0.029 0.000 1.009 895 V HN 0.643 nan 8.190 nan 0.000 0.431 896 L N 5.160 126.354 121.223 -0.049 0.000 2.289 896 L HA 0.697 5.036 4.340 -0.001 0.000 0.285 896 L C -0.160 176.670 176.870 -0.066 0.000 1.049 896 L CA 0.649 55.452 54.840 -0.061 0.000 0.804 896 L CB 1.158 43.179 42.059 -0.064 0.000 1.195 896 L HN 0.711 nan 8.230 nan 0.000 0.428 897 E N 3.400 123.554 120.200 -0.076 0.000 2.356 897 E HA 0.409 4.759 4.350 -0.001 0.000 0.275 897 E C -1.241 175.314 176.600 -0.075 0.000 0.904 897 E CA -1.207 55.144 56.400 -0.082 0.000 0.757 897 E CB 1.615 31.248 29.700 -0.112 0.000 1.232 897 E HN 0.246 nan 8.360 nan 0.000 0.442 898 K N 1.518 121.878 120.400 -0.067 0.000 2.297 898 K HA 0.169 4.488 4.320 -0.001 0.000 0.286 898 K C 0.386 176.944 176.600 -0.069 0.000 1.053 898 K CA -0.143 56.109 56.287 -0.058 0.000 0.940 898 K CB 1.043 33.514 32.500 -0.049 0.000 1.019 898 K HN 0.461 nan 8.250 nan 0.000 0.475 899 V N -0.186 119.688 119.914 -0.066 0.000 3.346 899 V HA 0.040 4.159 4.120 -0.001 0.000 0.309 899 V C 1.177 177.237 176.094 -0.057 0.000 1.457 899 V CA -0.245 62.008 62.300 -0.078 0.000 1.069 899 V CB -0.222 31.539 31.823 -0.104 0.000 0.944 899 V HN 0.610 nan 8.190 nan 0.000 0.449 900 N N 1.529 120.204 118.700 -0.041 0.000 2.289 900 N HA -0.187 4.553 4.740 -0.001 0.000 0.184 900 N C 1.052 176.542 175.510 -0.033 0.000 1.016 900 N CA 1.703 54.735 53.050 -0.030 0.000 0.872 900 N CB -0.552 37.921 38.487 -0.022 0.000 0.973 900 N HN 0.541 nan 8.380 nan 0.000 0.433 901 N N 0.067 118.742 118.700 -0.041 0.000 2.336 901 N HA 0.061 4.800 4.740 -0.001 0.000 0.189 901 N C -0.215 175.265 175.510 -0.051 0.000 1.113 901 N CA -0.063 52.962 53.050 -0.042 0.000 0.858 901 N CB 0.040 38.501 38.487 -0.043 0.000 0.970 901 N HN 0.226 nan 8.380 nan 0.000 0.471 902 c N 1.235 119.799 118.600 -0.061 0.000 2.601 902 c HA 0.262 4.831 4.570 -0.001 0.000 0.409 902 c C 1.039 175.092 174.090 -0.063 0.000 1.293 902 c CA -0.929 55.356 56.329 -0.074 0.000 2.101 902 c CB 0.834 43.286 42.510 -0.097 0.000 2.639 902 c HN 0.007 nan 8.230 nan 0.000 0.592 903 V N 5.455 125.327 119.914 -0.069 0.000 2.370 903 V HA 0.220 4.339 4.120 -0.001 0.000 0.257 903 V C 0.617 176.674 176.094 -0.062 0.000 1.064 903 V CA 0.319 62.583 62.300 -0.060 0.000 0.975 903 V CB -0.635 31.148 31.823 -0.066 0.000 1.067 903 V HN 0.793 nan 8.190 nan 0.000 0.485 904 R N 4.587 125.062 120.500 -0.041 0.000 2.758 904 R HA 0.540 4.879 4.340 -0.001 0.000 0.265 904 R C -2.446 173.847 176.300 -0.012 0.000 1.016 904 R CA -1.861 54.223 56.100 -0.026 0.000 1.040 904 R CB 1.049 31.338 30.300 -0.018 0.000 1.152 904 R HN 0.389 nan 8.270 nan 0.000 0.503 905 P HA -0.047 nan 4.420 nan 0.000 0.270 905 P C -0.392 176.944 177.300 0.059 0.000 1.223 905 P CA -0.149 62.931 63.100 -0.034 0.000 0.785 905 P CB 0.575 32.181 31.700 -0.157 0.000 0.923 906 S N 0.896 116.660 115.700 0.107 0.000 2.608 906 S HA 0.107 4.576 4.470 -0.001 0.000 0.261 906 S C 1.158 175.837 174.600 0.132 0.000 1.314 906 S CA -0.212 58.053 58.200 0.109 0.000 0.992 906 S CB 0.345 63.610 63.200 0.108 0.000 0.935 906 S HN 0.306 nan 8.310 nan 0.000 0.564 907 K N 0.179 120.638 120.400 0.099 0.000 2.211 907 K HA -0.025 4.294 4.320 -0.001 0.000 0.204 907 K C 1.549 178.203 176.600 0.091 0.000 1.047 907 K CA 1.396 57.737 56.287 0.092 0.000 0.935 907 K CB -0.587 31.951 32.500 0.064 0.000 0.728 907 K HN 0.588 nan 8.250 nan 0.000 0.452 908 L N -0.133 121.146 121.223 0.093 0.000 2.558 908 L HA 0.029 4.369 4.340 -0.001 0.000 0.225 908 L C 1.146 178.069 176.870 0.088 0.000 1.128 908 L CA -0.169 54.712 54.840 0.067 0.000 0.868 908 L CB -0.299 41.786 42.059 0.044 0.000 1.006 908 L HN 0.207 nan 8.230 nan 0.000 0.454 909 H N 2.904 122.010 119.070 0.059 0.000 2.764 909 H HA 0.095 4.650 4.556 -0.001 0.000 0.341 909 H C -1.657 173.710 175.328 0.064 0.000 1.072 909 H CA -1.441 54.655 56.048 0.080 0.000 1.444 909 H CB 1.832 31.669 29.762 0.125 0.000 1.458 909 H HN -0.085 nan 8.280 nan 0.000 0.572 910 P HA 0.121 nan 4.420 nan 0.000 0.245 910 P C -0.316 177.087 177.300 0.172 0.000 1.206 910 P CA 0.215 63.349 63.100 0.056 0.000 0.781 910 P CB 0.495 32.156 31.700 -0.066 0.000 0.994 911 A N -0.311 122.782 122.820 0.455 0.000 2.299 911 A HA 0.748 5.067 4.320 -0.001 0.000 0.332 911 A C 0.260 177.900 177.584 0.094 0.000 1.131 911 A CA -0.304 51.864 52.037 0.218 0.000 0.844 911 A CB 1.110 20.232 19.000 0.202 0.000 1.251 911 A HN 0.166 nan 8.150 nan 0.000 0.486 912 G N -1.391 107.336 108.800 -0.121 0.000 2.658 912 G HA2 0.637 4.597 3.960 -0.001 0.000 0.292 912 G HA3 0.637 4.597 3.960 -0.001 0.000 0.292 912 G C -1.841 172.668 174.900 -0.651 0.000 1.320 912 G CA -0.421 44.502 45.100 -0.295 0.000 0.933 912 G HN 0.529 nan 8.290 nan 0.000 0.476 913 Y N -0.850 119.418 120.300 -0.053 0.000 2.492 913 Y HA 0.477 5.026 4.550 -0.001 0.000 0.346 913 Y C 0.368 176.030 175.900 -0.397 0.000 0.997 913 Y CA -0.853 57.146 58.100 -0.168 0.000 1.025 913 Y CB 1.990 40.341 38.460 -0.182 0.000 1.263 913 Y HN 0.346 nan 8.280 nan 0.000 0.454 914 L N 2.248 123.305 121.223 -0.277 0.000 2.464 914 L HA 0.331 4.671 4.340 -0.001 0.000 0.264 914 L C 0.751 177.463 176.870 -0.264 0.000 1.199 914 L CA -0.473 54.123 54.840 -0.408 0.000 0.818 914 L CB 0.688 42.584 42.059 -0.270 0.000 1.102 914 L HN 0.791 nan 8.230 nan 0.000 0.473 915 T N -2.398 111.989 114.554 -0.277 0.000 2.816 915 T HA 0.045 4.394 4.350 -0.001 0.000 0.282 915 T C 1.184 175.826 174.700 -0.096 0.000 0.993 915 T CA -0.152 61.839 62.100 -0.182 0.000 0.994 915 T CB 1.474 70.232 68.868 -0.183 0.000 1.025 915 T HN 0.637 nan 8.240 nan 0.000 0.529 916 S N 0.796 116.453 115.700 -0.073 0.000 2.365 916 S HA -0.195 4.274 4.470 -0.001 0.000 0.225 916 S C 2.322 176.927 174.600 0.009 0.000 1.039 916 S CA 1.644 59.834 58.200 -0.016 0.000 1.033 916 S CB -1.241 61.933 63.200 -0.043 0.000 0.887 916 S HN 0.945 nan 8.310 nan 0.000 0.447 917 A N 1.000 123.801 122.820 -0.031 0.000 1.930 917 A HA 0.290 4.609 4.320 -0.001 0.000 0.217 917 A C 2.453 180.027 177.584 -0.016 0.000 1.175 917 A CA 1.776 53.798 52.037 -0.025 0.000 0.627 917 A CB -1.247 17.729 19.000 -0.040 0.000 0.815 917 A HN 0.821 nan 8.150 nan 0.000 0.443 918 A N -1.471 121.327 122.820 -0.037 0.000 1.929 918 A HA -0.128 4.192 4.320 -0.001 0.000 0.216 918 A C 2.089 179.697 177.584 0.040 0.000 1.176 918 A CA 1.478 53.496 52.037 -0.031 0.000 0.628 918 A CB -0.873 18.051 19.000 -0.125 0.000 0.816 918 A HN 0.766 nan 8.150 nan 0.000 0.444 919 H N 0.128 119.177 119.070 -0.034 0.000 2.326 919 H HA -0.058 4.497 4.556 -0.001 0.000 0.301 919 H C 1.827 177.186 175.328 0.052 0.000 1.081 919 H CA 1.811 57.876 56.048 0.028 0.000 1.334 919 H CB -0.043 29.730 29.762 0.018 0.000 1.385 919 H HN 0.421 nan 8.280 nan 0.000 0.504 920 K N 0.235 120.595 120.400 -0.068 0.000 2.103 920 K HA -0.102 4.217 4.320 -0.001 0.000 0.207 920 K C 2.382 178.943 176.600 -0.064 0.000 1.048 920 K CA 0.955 57.185 56.287 -0.096 0.000 0.930 920 K CB -0.076 32.413 32.500 -0.017 0.000 0.716 920 K HN 0.279 nan 8.250 nan 0.000 0.444 921 A N 0.826 123.632 122.820 -0.024 0.000 1.902 921 A HA -0.179 4.140 4.320 -0.001 0.000 0.217 921 A C 2.208 179.793 177.584 0.002 0.000 1.181 921 A CA 2.002 54.040 52.037 0.001 0.000 0.623 921 A CB -0.622 18.392 19.000 0.024 0.000 0.818 921 A HN 0.286 nan 8.150 nan 0.000 0.443 922 S N -0.646 115.059 115.700 0.009 0.000 2.368 922 S HA -0.232 4.237 4.470 -0.001 0.000 0.225 922 S C 2.126 176.710 174.600 -0.026 0.000 1.030 922 S CA 1.702 59.923 58.200 0.034 0.000 0.999 922 S CB -0.403 62.866 63.200 0.116 0.000 0.844 922 S HN 0.678 nan 8.310 nan 0.000 0.459 923 Q N 0.621 120.359 119.800 -0.104 0.000 2.170 923 Q HA -0.086 4.253 4.340 -0.001 0.000 0.203 923 Q C 2.485 178.431 176.000 -0.090 0.000 0.976 923 Q CA 1.643 57.383 55.803 -0.104 0.000 0.858 923 Q CB -0.300 28.356 28.738 -0.136 0.000 0.907 923 Q HN 0.809 nan 8.270 nan 0.000 0.433 924 S N 0.194 115.852 115.700 -0.070 0.000 2.423 924 S HA -0.073 4.396 4.470 -0.001 0.000 0.231 924 S C 1.841 176.381 174.600 -0.100 0.000 1.014 924 S CA 0.668 58.825 58.200 -0.072 0.000 0.965 924 S CB -0.200 62.977 63.200 -0.038 0.000 0.785 924 S HN 0.284 nan 8.310 nan 0.000 0.495 925 L N -0.017 121.156 121.223 -0.084 0.000 2.168 925 L HA 0.234 4.573 4.340 -0.001 0.000 0.203 925 L C 2.515 179.294 176.870 -0.151 0.000 1.078 925 L CA 0.690 55.473 54.840 -0.096 0.000 0.780 925 L CB -0.373 41.654 42.059 -0.054 0.000 0.939 925 L HN 0.278 nan 8.230 nan 0.000 0.451 926 L N -1.106 120.033 121.223 -0.139 0.000 2.202 926 L HA 0.022 4.361 4.340 -0.001 0.000 0.205 926 L C 0.204 176.901 176.870 -0.288 0.000 1.083 926 L CA 0.820 55.555 54.840 -0.176 0.000 0.790 926 L CB 0.098 42.092 42.059 -0.109 0.000 0.942 926 L HN 0.207 nan 8.230 nan 0.000 0.452 927 D N 0.365 120.591 120.400 -0.290 0.000 2.613 927 D HA 0.232 4.871 4.640 -0.001 0.000 0.312 927 D C -2.341 173.710 176.300 -0.416 0.000 1.202 927 D CA -1.009 52.742 54.000 -0.415 0.000 0.825 927 D CB 1.253 42.015 40.800 -0.064 0.000 1.113 927 D HN 0.059 nan 8.370 nan 0.000 0.502 928 P HA 0.105 nan 4.420 nan 0.000 0.274 928 P C 0.589 177.752 177.300 -0.228 0.000 1.260 928 P CA -0.486 62.429 63.100 -0.309 0.000 0.793 928 P CB 1.483 33.007 31.700 -0.294 0.000 1.048 929 L N 0.803 121.962 121.223 -0.107 0.000 2.485 929 L HA 0.079 4.418 4.340 -0.001 0.000 0.275 929 L C 0.887 177.778 176.870 0.035 0.000 1.207 929 L CA 0.408 55.243 54.840 -0.008 0.000 0.855 929 L CB -0.319 41.749 42.059 0.016 0.000 1.114 929 L HN 0.273 nan 8.230 nan 0.000 0.485 930 D N 3.358 123.871 120.400 0.187 0.000 2.210 930 D HA 0.305 4.944 4.640 -0.001 0.000 0.249 930 D C -0.304 176.071 176.300 0.124 0.000 1.062 930 D CA -0.255 53.851 54.000 0.176 0.000 0.891 930 D CB 1.620 42.620 40.800 0.334 0.000 1.186 930 D HN 0.366 nan 8.370 nan 0.000 0.432 931 K N 1.485 121.853 120.400 -0.054 0.000 2.292 931 K HA 0.468 4.787 4.320 -0.001 0.000 0.257 931 K C -0.963 175.622 176.600 -0.026 0.000 0.940 931 K CA -0.638 55.716 56.287 0.111 0.000 0.811 931 K CB 1.536 34.059 32.500 0.038 0.000 1.120 931 K HN 0.230 nan 8.250 nan 0.000 0.428 932 F N 2.591 122.755 119.950 0.356 0.000 2.520 932 F HA 0.491 5.017 4.527 -0.001 0.000 0.322 932 F C 0.001 176.095 175.800 0.491 0.000 1.103 932 F CA -0.881 57.314 58.000 0.325 0.000 0.926 932 F CB 1.314 40.333 39.000 0.031 0.000 1.154 932 F HN 0.199 nan 8.300 nan 0.000 0.453 933 I N 3.539 124.504 120.570 0.657 0.000 2.362 933 I HA 0.221 4.390 4.170 -0.001 0.000 0.289 933 I C -0.550 175.867 176.117 0.500 0.000 0.994 933 I CA -0.829 60.780 61.300 0.515 0.000 1.158 933 I CB 1.249 39.447 38.000 0.331 0.000 1.315 933 I HN 0.439 nan 8.210 nan 0.000 0.451 934 F N 5.730 125.850 119.950 0.283 0.000 2.578 934 F HA 0.213 4.739 4.527 -0.001 0.000 0.376 934 F C 1.187 176.901 175.800 -0.144 0.000 1.085 934 F CA 0.066 57.933 58.000 -0.222 0.000 1.260 934 F CB 1.211 40.096 39.000 -0.192 0.000 1.095 934 F HN 0.582 nan 8.300 nan 0.000 0.573 935 A N 4.305 126.511 122.820 -1.023 0.000 2.132 935 A HA 0.143 4.462 4.320 -0.001 0.000 0.213 935 A C 0.747 178.013 177.584 -0.530 0.000 1.154 935 A CA 0.410 52.089 52.037 -0.597 0.000 0.753 935 A CB -0.255 18.426 19.000 -0.530 0.000 0.826 935 A HN 0.706 nan 8.150 nan 0.000 0.469 936 E N -1.012 118.734 120.200 -0.756 0.000 2.396 936 E HA 0.236 4.585 4.350 -0.001 0.000 0.251 936 E C -0.116 176.565 176.600 0.136 0.000 0.949 936 E CA -0.881 55.368 56.400 -0.252 0.000 0.834 936 E CB 0.352 29.919 29.700 -0.221 0.000 1.309 936 E HN 0.086 nan 8.360 nan 0.000 0.405 937 N N 0.611 119.409 118.700 0.163 0.000 2.216 937 N HA -0.080 4.659 4.740 -0.001 0.000 0.183 937 N C -0.091 175.578 175.510 0.265 0.000 1.017 937 N CA 0.979 54.147 53.050 0.196 0.000 0.861 937 N CB 0.334 38.892 38.487 0.117 0.000 0.986 937 N HN 0.427 nan 8.380 nan 0.000 0.428 938 E N -0.681 119.697 120.200 0.297 0.000 2.246 938 E HA 0.112 4.461 4.350 -0.001 0.000 0.266 938 E C -1.515 175.176 176.600 0.153 0.000 0.880 938 E CA -0.695 55.809 56.400 0.174 0.000 0.762 938 E CB 1.125 30.895 29.700 0.117 0.000 1.180 938 E HN 0.028 nan 8.360 nan 0.000 0.416 939 W N 7.814 128.792 121.300 -0.537 0.000 2.295 939 W HA 0.409 5.068 4.660 -0.001 0.000 0.333 939 W C -1.412 174.898 176.519 -0.348 0.000 0.990 939 W CA -1.365 55.502 57.345 -0.796 0.000 1.453 939 W CB -0.167 28.287 29.460 -1.676 0.000 1.263 939 W HN 0.447 nan 8.180 nan 0.000 0.380 940 I N 5.783 126.449 120.570 0.160 0.000 2.441 940 I HA 0.335 4.505 4.170 -0.001 0.000 0.287 940 I C 1.483 177.608 176.117 0.013 0.000 1.049 940 I CA 1.094 62.419 61.300 0.041 0.000 1.381 940 I CB 0.829 38.883 38.000 0.091 0.000 1.409 940 I HN 0.772 nan 8.210 nan 0.000 0.523 941 G N 4.146 112.864 108.800 -0.138 0.000 2.157 941 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.248 941 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.248 941 G C 0.426 175.099 174.900 -0.377 0.000 0.979 941 G CA -0.135 44.870 45.100 -0.158 0.000 0.650 941 G HN 1.019 nan 8.290 nan 0.000 0.529 942 A N -0.304 122.024 122.820 -0.821 0.000 2.531 942 A HA 0.540 4.860 4.320 -0.001 0.000 0.236 942 A C 0.591 177.768 177.584 -0.678 0.000 1.062 942 A CA 0.887 52.094 52.037 -1.383 0.000 0.760 942 A CB 0.221 18.005 19.000 -2.027 0.000 0.995 942 A HN 0.639 nan 8.150 nan 0.000 0.501 943 Q N 0.731 120.205 119.800 -0.544 0.000 2.351 943 Q HA 0.520 4.859 4.340 -0.001 0.000 0.273 943 Q C 1.123 177.015 176.000 -0.180 0.000 1.077 943 Q CA -0.239 55.410 55.803 -0.257 0.000 0.843 943 Q CB 1.923 30.578 28.738 -0.139 0.000 1.367 943 Q HN 0.798 nan 8.270 nan 0.000 0.449 944 G N 0.137 108.869 108.800 -0.113 0.000 2.494 944 G HA2 -0.069 3.890 3.960 -0.001 0.000 0.216 944 G HA3 -0.069 3.890 3.960 -0.001 0.000 0.216 944 G C 0.217 175.097 174.900 -0.033 0.000 1.140 944 G CA 0.604 45.653 45.100 -0.085 0.000 0.801 944 G HN 0.445 nan 8.290 nan 0.000 0.536 945 Q N -1.477 118.319 119.800 -0.007 0.000 2.472 945 Q HA 0.513 4.853 4.340 -0.001 0.000 0.281 945 Q C -2.365 173.662 176.000 0.044 0.000 0.997 945 Q CA -0.918 54.894 55.803 0.015 0.000 0.828 945 Q CB 2.202 30.934 28.738 -0.011 0.000 1.443 945 Q HN 0.061 nan 8.270 nan 0.000 0.390 946 F N 1.271 121.130 119.950 -0.153 0.000 2.556 946 F HA 0.661 5.187 4.527 -0.001 0.000 0.314 946 F C 0.523 176.071 175.800 -0.419 0.000 1.106 946 F CA 0.439 58.281 58.000 -0.263 0.000 0.911 946 F CB 2.080 40.934 39.000 -0.244 0.000 1.190 946 F HN 0.673 nan 8.300 nan 0.000 0.448 947 G N 3.008 110.822 108.800 -1.643 0.000 2.157 947 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.239 947 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.239 947 G C 1.029 175.236 174.900 -1.156 0.000 0.982 947 G CA 0.225 44.052 45.100 -2.122 0.000 0.650 947 G HN 1.555 nan 8.290 nan 0.000 0.527 948 G N 1.205 109.628 108.800 -0.628 0.000 2.479 948 G HA2 -0.007 3.953 3.960 -0.001 0.000 0.220 948 G HA3 -0.007 3.953 3.960 -0.001 0.000 0.220 948 G C 1.253 176.085 174.900 -0.113 0.000 1.115 948 G CA 1.800 46.767 45.100 -0.221 0.000 0.757 948 G HN 0.811 nan 8.290 nan 0.000 0.560 949 D N -0.691 119.562 120.400 -0.245 0.000 2.339 949 D HA 0.009 4.649 4.640 -0.001 0.000 0.217 949 D C 0.369 176.668 176.300 -0.002 0.000 1.050 949 D CA -0.405 53.545 54.000 -0.082 0.000 0.856 949 D CB -0.855 39.903 40.800 -0.070 0.000 0.922 949 D HN 0.463 nan 8.370 nan 0.000 0.518 950 H N 1.212 120.174 119.070 -0.179 0.000 2.848 950 H HA 0.212 4.767 4.556 -0.001 0.000 0.341 950 H C -1.996 173.303 175.328 -0.048 0.000 1.060 950 H CA -1.750 54.217 56.048 -0.134 0.000 1.444 950 H CB 0.577 30.208 29.762 -0.218 0.000 1.446 950 H HN -0.011 nan 8.280 nan 0.000 0.583 951 P HA -0.063 nan 4.420 nan 0.000 0.268 951 P C -0.579 176.796 177.300 0.125 0.000 1.205 951 P CA 0.124 63.290 63.100 0.110 0.000 0.771 951 P CB 0.715 32.457 31.700 0.070 0.000 0.858 952 S N 2.302 118.114 115.700 0.186 0.000 2.466 952 S HA 0.574 5.044 4.470 -0.001 0.000 0.313 952 S C 0.013 174.737 174.600 0.207 0.000 1.078 952 S CA -0.582 57.763 58.200 0.241 0.000 1.115 952 S CB -0.682 62.781 63.200 0.437 0.000 1.006 952 S HN 0.491 nan 8.310 nan 0.000 0.487 953 A N 4.454 127.384 122.820 0.183 0.000 2.332 953 A HA 0.503 4.822 4.320 -0.001 0.000 0.258 953 A C 0.568 178.226 177.584 0.124 0.000 1.087 953 A CA -0.545 51.575 52.037 0.138 0.000 0.802 953 A CB 0.214 19.291 19.000 0.128 0.000 1.042 953 A HN 0.904 nan 8.150 nan 0.000 0.489 954 R N 0.022 120.562 120.500 0.067 0.000 2.697 954 R HA -0.044 4.295 4.340 -0.001 0.000 0.265 954 R C 1.436 177.746 176.300 0.016 0.000 1.009 954 R CA 0.968 57.078 56.100 0.017 0.000 1.099 954 R CB 0.324 30.617 30.300 -0.012 0.000 0.965 954 R HN 0.924 nan 8.270 nan 0.000 0.428 955 E N 1.813 121.983 120.200 -0.051 0.000 2.265 955 E HA -0.228 4.121 4.350 -0.001 0.000 0.196 955 E C 0.294 176.922 176.600 0.048 0.000 0.996 955 E CA 1.547 57.895 56.400 -0.086 0.000 0.832 955 E CB -0.038 29.584 29.700 -0.130 0.000 0.756 955 E HN 0.741 nan 8.360 nan 0.000 0.491 956 D N 0.626 121.017 120.400 -0.015 0.000 2.340 956 D HA -0.007 4.633 4.640 -0.001 0.000 0.220 956 D C 0.370 176.664 176.300 -0.010 0.000 1.039 956 D CA -0.108 53.840 54.000 -0.087 0.000 0.866 956 D CB -0.031 40.660 40.800 -0.181 0.000 0.913 956 D HN 0.181 nan 8.370 nan 0.000 0.523 957 L N 0.875 122.141 121.223 0.073 0.000 2.309 957 L HA 0.505 4.844 4.340 -0.001 0.000 0.282 957 L C -1.116 175.880 176.870 0.210 0.000 1.036 957 L CA -0.456 54.446 54.840 0.103 0.000 0.806 957 L CB 1.625 43.733 42.059 0.082 0.000 1.220 957 L HN -0.227 nan 8.230 nan 0.000 0.429 958 D N 2.494 123.039 120.400 0.241 0.000 2.575 958 D HA 0.365 5.005 4.640 -0.001 0.000 0.236 958 D C -1.258 175.203 176.300 0.269 0.000 1.075 958 D CA -0.273 53.895 54.000 0.280 0.000 0.860 958 D CB 2.400 43.412 40.800 0.354 0.000 1.475 958 D HN 0.241 nan 8.370 nan 0.000 0.474 959 V N 3.489 123.540 119.914 0.228 0.000 2.267 959 V HA 0.117 4.237 4.120 -0.001 0.000 0.254 959 V C 1.312 177.542 176.094 0.226 0.000 1.144 959 V CA -0.011 62.434 62.300 0.242 0.000 0.992 959 V CB 0.400 32.354 31.823 0.218 0.000 1.199 959 V HN 0.579 nan 8.190 nan 0.000 0.493 960 S N 3.073 118.935 115.700 0.270 0.000 2.382 960 S HA -0.010 4.459 4.470 -0.001 0.000 0.228 960 S C 0.660 175.313 174.600 0.089 0.000 1.027 960 S CA 0.848 59.157 58.200 0.182 0.000 0.991 960 S CB 0.168 63.531 63.200 0.271 0.000 0.823 960 S HN 0.503 nan 8.310 nan 0.000 0.469 961 V N 1.448 121.456 119.914 0.156 0.000 2.760 961 V HA 0.526 4.645 4.120 -0.001 0.000 0.309 961 V C -0.784 175.385 176.094 0.126 0.000 1.077 961 V CA -0.583 61.786 62.300 0.115 0.000 0.910 961 V CB 1.927 33.844 31.823 0.157 0.000 1.008 961 V HN 0.369 nan 8.190 nan 0.000 0.424 962 M N 5.443 125.039 119.600 -0.007 0.000 2.204 962 M HA 0.692 5.171 4.480 -0.001 0.000 0.293 962 M C -1.104 175.033 176.300 -0.272 0.000 0.994 962 M CA -0.501 54.663 55.300 -0.227 0.000 0.925 962 M CB 1.573 34.045 32.600 -0.212 0.000 1.577 962 M HN 0.752 nan 8.290 nan 0.000 0.439 963 R N 4.064 124.332 120.500 -0.387 0.000 2.515 963 R HA 0.435 4.774 4.340 -0.001 0.000 0.291 963 R C -1.359 174.717 176.300 -0.374 0.000 1.046 963 R CA -0.684 55.243 56.100 -0.288 0.000 0.914 963 R CB 1.849 32.064 30.300 -0.142 0.000 1.191 963 R HN 0.907 nan 8.270 nan 0.000 0.435 964 R N 4.379 124.714 120.500 -0.274 0.000 2.442 964 R HA 0.131 4.470 4.340 -0.001 0.000 0.291 964 R C 0.187 176.379 176.300 -0.181 0.000 1.069 964 R CA 0.100 56.064 56.100 -0.226 0.000 1.022 964 R CB 0.616 30.838 30.300 -0.129 0.000 0.976 964 R HN 0.701 nan 8.270 nan 0.000 0.443 965 L N 2.934 124.046 121.223 -0.186 0.000 2.616 965 L HA 0.152 4.491 4.340 -0.001 0.000 0.229 965 L C 0.258 177.078 176.870 -0.083 0.000 1.110 965 L CA 0.024 54.776 54.840 -0.147 0.000 0.884 965 L CB 0.521 42.460 42.059 -0.200 0.000 1.115 965 L HN 0.717 nan 8.230 nan 0.000 0.481 966 T N -2.672 111.843 114.554 -0.065 0.000 2.887 966 T HA 0.452 4.801 4.350 -0.001 0.000 0.288 966 T C -0.250 174.441 174.700 -0.015 0.000 1.021 966 T CA -0.906 61.173 62.100 -0.035 0.000 1.000 966 T CB 2.425 71.278 68.868 -0.025 0.000 1.034 966 T HN -0.088 nan 8.240 nan 0.000 0.467 967 K N 0.929 121.326 120.400 -0.005 0.000 2.118 967 K HA 0.323 4.642 4.320 -0.001 0.000 0.240 967 K C 1.634 178.245 176.600 0.019 0.000 1.035 967 K CA -0.240 56.055 56.287 0.012 0.000 0.899 967 K CB 0.501 33.007 32.500 0.009 0.000 1.085 967 K HN 0.801 nan 8.250 nan 0.000 0.498 968 S N -0.663 115.056 115.700 0.032 0.000 2.447 968 S HA -0.145 4.324 4.470 -0.001 0.000 0.233 968 S C 1.780 176.392 174.600 0.021 0.000 1.006 968 S CA 1.380 59.598 58.200 0.030 0.000 0.957 968 S CB -0.327 62.897 63.200 0.041 0.000 0.773 968 S HN 0.634 nan 8.310 nan 0.000 0.507 969 S N 1.442 117.152 115.700 0.018 0.000 2.561 969 S HA 0.449 4.919 4.470 -0.001 0.000 0.225 969 S C 0.777 175.383 174.600 0.009 0.000 0.977 969 S CA 0.000 58.208 58.200 0.014 0.000 0.926 969 S CB -0.582 62.626 63.200 0.014 0.000 0.769 969 S HN 0.749 nan 8.310 nan 0.000 0.533 970 A N 1.889 124.713 122.820 0.007 0.000 2.451 970 A HA 0.365 4.685 4.320 -0.001 0.000 0.266 970 A C 1.246 178.835 177.584 0.008 0.000 1.119 970 A CA -0.365 51.674 52.037 0.003 0.000 0.786 970 A CB 0.186 19.185 19.000 -0.002 0.000 1.061 970 A HN 0.487 nan 8.150 nan 0.000 0.503 971 K N 1.769 122.173 120.400 0.006 0.000 2.032 971 K HA -0.104 4.216 4.320 -0.001 0.000 0.209 971 K C 0.112 176.721 176.600 0.015 0.000 1.048 971 K CA 1.752 58.044 56.287 0.009 0.000 0.927 971 K CB -0.059 32.445 32.500 0.005 0.000 0.712 971 K HN 0.669 nan 8.250 nan 0.000 0.441 972 T N 2.476 117.036 114.554 0.010 0.000 2.753 972 T HA 0.181 4.530 4.350 -0.001 0.000 0.297 972 T C -0.786 173.929 174.700 0.024 0.000 0.981 972 T CA -0.669 61.440 62.100 0.016 0.000 0.956 972 T CB 1.417 70.285 68.868 -0.001 0.000 0.936 972 T HN 0.089 nan 8.240 nan 0.000 0.463 973 Q N 2.752 122.585 119.800 0.056 0.000 2.340 973 Q HA 0.403 4.743 4.340 -0.001 0.000 0.249 973 Q C 0.093 176.151 176.000 0.096 0.000 0.957 973 Q CA 0.051 55.890 55.803 0.059 0.000 0.882 973 Q CB 1.310 30.081 28.738 0.056 0.000 1.235 973 Q HN 0.553 nan 8.270 nan 0.000 0.439 974 R N 0.330 120.851 120.500 0.035 0.000 2.628 974 R HA 0.644 4.984 4.340 -0.001 0.000 0.288 974 R C -1.117 175.136 176.300 -0.078 0.000 0.980 974 R CA -0.653 55.453 56.100 0.009 0.000 0.891 974 R CB 1.850 32.120 30.300 -0.050 0.000 1.188 974 R HN 0.256 nan 8.270 nan 0.000 0.450 975 V N 1.455 121.317 119.914 -0.087 0.000 2.531 975 V HA 0.605 4.724 4.120 -0.001 0.000 0.301 975 V C 0.198 176.004 176.094 -0.480 0.000 1.034 975 V CA -0.853 61.260 62.300 -0.312 0.000 0.865 975 V CB 2.040 33.683 31.823 -0.300 0.000 0.995 975 V HN 0.945 nan 8.190 nan 0.000 0.424 976 G N 2.921 111.233 108.800 -0.814 0.000 2.371 976 G HA2 0.666 4.626 3.960 -0.001 0.000 0.326 976 G HA3 0.666 4.626 3.960 -0.001 0.000 0.326 976 G C -1.653 172.797 174.900 -0.750 0.000 1.127 976 G CA -0.301 44.140 45.100 -1.098 0.000 0.885 976 G HN 0.509 nan 8.290 nan 0.000 0.477 977 Y N 0.382 120.758 120.300 0.126 0.000 2.442 977 Y HA 0.463 5.013 4.550 -0.001 0.000 0.344 977 Y C -0.148 176.021 175.900 0.448 0.000 0.976 977 Y CA -0.908 57.363 58.100 0.284 0.000 1.040 977 Y CB 2.757 41.351 38.460 0.223 0.000 1.228 977 Y HN 0.344 nan 8.280 nan 0.000 0.451 978 V N 5.174 125.387 119.914 0.498 0.000 2.370 978 V HA 0.384 4.503 4.120 -0.001 0.000 0.283 978 V C -0.364 175.959 176.094 0.383 0.000 1.023 978 V CA -0.736 61.783 62.300 0.366 0.000 0.857 978 V CB 1.345 33.334 31.823 0.276 0.000 0.985 978 V HN 0.615 nan 8.190 nan 0.000 0.443 979 L N 4.760 126.196 121.223 0.355 0.000 2.296 979 L HA 0.573 4.913 4.340 -0.001 0.000 0.286 979 L C -0.744 176.327 176.870 0.335 0.000 1.023 979 L CA -0.578 54.463 54.840 0.335 0.000 0.812 979 L CB 1.497 43.750 42.059 0.323 0.000 1.223 979 L HN 0.723 nan 8.230 nan 0.000 0.421 980 H N 4.005 123.229 119.070 0.257 0.000 2.609 980 H HA 0.428 4.984 4.556 -0.001 0.000 0.344 980 H C -1.063 174.354 175.328 0.148 0.000 1.040 980 H CA -0.598 55.573 56.048 0.204 0.000 1.216 980 H CB 1.416 31.374 29.762 0.326 0.000 1.529 980 H HN 0.440 nan 8.280 nan 0.000 0.519 981 R N 4.363 124.513 120.500 -0.582 0.000 2.343 981 R HA 0.304 4.644 4.340 -0.001 0.000 0.320 981 R C -0.346 175.519 176.300 -0.726 0.000 0.956 981 R CA -0.475 55.347 56.100 -0.463 0.000 0.836 981 R CB 1.335 31.500 30.300 -0.224 0.000 1.151 981 R HN 0.769 nan 8.270 nan 0.000 0.450 982 T N 1.525 115.803 114.554 -0.460 0.000 2.771 982 T HA 0.158 4.507 4.350 -0.001 0.000 0.290 982 T C -0.467 174.051 174.700 -0.304 0.000 1.005 982 T CA -0.394 61.527 62.100 -0.298 0.000 0.944 982 T CB 0.562 69.334 68.868 -0.160 0.000 1.147 982 T HN 0.676 nan 8.240 nan 0.000 0.534 983 N N 0.712 119.256 118.700 -0.260 0.000 2.399 983 N HA 0.461 5.201 4.740 -0.001 0.000 0.284 983 N C -1.436 173.906 175.510 -0.280 0.000 1.025 983 N CA -0.480 52.358 53.050 -0.352 0.000 0.885 983 N CB 0.637 38.761 38.487 -0.606 0.000 1.339 983 N HN 0.462 nan 8.380 nan 0.000 0.487 984 L N 2.637 123.695 121.223 -0.275 0.000 2.325 984 L HA 0.534 4.873 4.340 -0.001 0.000 0.278 984 L C 0.499 177.242 176.870 -0.211 0.000 1.023 984 L CA -1.023 53.689 54.840 -0.212 0.000 0.811 984 L CB 1.494 43.437 42.059 -0.194 0.000 1.249 984 L HN 0.373 nan 8.230 nan 0.000 0.431 985 M N 2.353 121.850 119.600 -0.172 0.000 2.248 985 M HA 0.060 4.539 4.480 -0.001 0.000 0.345 985 M C -0.131 176.081 176.300 -0.147 0.000 1.243 985 M CA 0.126 55.329 55.300 -0.162 0.000 1.090 985 M CB 0.431 32.937 32.600 -0.156 0.000 1.683 985 M HN 0.479 nan 8.290 nan 0.000 0.450 986 Q N 2.275 121.993 119.800 -0.138 0.000 2.307 986 Q HA 0.190 4.529 4.340 -0.001 0.000 0.259 986 Q C -0.122 175.820 176.000 -0.098 0.000 0.998 986 Q CA 0.118 55.853 55.803 -0.113 0.000 0.923 986 Q CB 0.869 29.544 28.738 -0.105 0.000 1.196 986 Q HN 0.783 nan 8.270 nan 0.000 0.416 987 c N 0.665 119.210 118.600 -0.091 0.000 3.098 987 c HA 0.367 4.936 4.570 -0.001 0.000 0.265 987 c C 1.253 175.303 174.090 -0.067 0.000 1.572 987 c CA -0.042 56.239 56.329 -0.080 0.000 1.788 987 c CB -0.398 42.059 42.510 -0.088 0.000 2.982 987 c HN 1.019 nan 8.230 nan 0.000 0.532 988 G N 1.439 110.201 108.800 -0.064 0.000 2.141 988 G HA2 -0.205 3.755 3.960 -0.001 0.000 0.231 988 G HA3 -0.205 3.755 3.960 -0.001 0.000 0.231 988 G C -0.010 174.858 174.900 -0.053 0.000 0.984 988 G CA 0.357 45.425 45.100 -0.054 0.000 0.660 988 G HN 0.457 nan 8.290 nan 0.000 0.525 989 T N 2.907 117.425 114.554 -0.060 0.000 2.737 989 T HA 0.485 4.834 4.350 -0.001 0.000 0.296 989 T C -1.633 173.030 174.700 -0.061 0.000 0.922 989 T CA -0.518 61.547 62.100 -0.058 0.000 1.079 989 T CB 1.413 70.244 68.868 -0.062 0.000 0.892 989 T HN 0.200 nan 8.240 nan 0.000 0.514 990 P HA 0.089 nan 4.420 nan 0.000 0.266 990 P C 0.054 177.310 177.300 -0.072 0.000 1.195 990 P CA -0.263 62.804 63.100 -0.056 0.000 0.768 990 P CB 0.512 32.185 31.700 -0.044 0.000 0.838 991 E N 2.309 122.464 120.200 -0.076 0.000 2.316 991 E HA 0.052 4.401 4.350 -0.001 0.000 0.275 991 E C -0.537 175.988 176.600 -0.124 0.000 1.029 991 E CA -0.354 55.986 56.400 -0.099 0.000 0.871 991 E CB 0.561 30.209 29.700 -0.086 0.000 1.022 991 E HN 0.389 nan 8.360 nan 0.000 0.418 992 E N 2.963 123.037 120.200 -0.210 0.000 2.301 992 E HA 0.095 4.444 4.350 -0.001 0.000 0.275 992 E C 0.657 177.028 176.600 -0.382 0.000 1.030 992 E CA -0.121 56.041 56.400 -0.396 0.000 0.852 992 E CB 0.740 30.011 29.700 -0.715 0.000 1.060 992 E HN 0.675 nan 8.360 nan 0.000 0.401 993 H N 1.520 120.583 119.070 -0.012 0.000 1.458 993 H HA -0.408 4.147 4.556 -0.001 0.000 0.091 993 H C 0.428 175.757 175.328 0.002 0.000 1.126 993 H CA 1.659 57.704 56.048 -0.006 0.000 1.899 993 H CB -2.318 27.442 29.762 -0.004 0.000 2.256 993 H HN 0.817 nan 8.280 nan 0.000 0.961 994 T N -2.820 111.847 114.554 0.189 0.000 0.541 994 T HA -0.277 4.073 4.350 -0.001 0.000 0.774 994 T C -0.202 174.581 174.700 0.137 0.000 0.992 994 T CA 0.762 62.969 62.100 0.178 0.000 4.077 994 T CB -0.464 68.442 68.868 0.064 0.000 2.303 994 T HN 0.910 nan 8.240 nan 0.000 0.398 995 Q N 1.840 121.719 119.800 0.132 0.000 2.354 995 Q HA 0.288 4.627 4.340 -0.001 0.000 0.244 995 Q C 0.419 176.454 176.000 0.059 0.000 0.969 995 Q CA -0.861 54.993 55.803 0.085 0.000 0.885 995 Q CB 0.618 29.410 28.738 0.091 0.000 1.241 995 Q HN 0.477 nan 8.270 nan 0.000 0.461 996 K N 1.978 122.396 120.400 0.031 0.000 2.298 996 K HA 0.165 4.484 4.320 -0.001 0.000 0.280 996 K C -0.469 176.134 176.600 0.006 0.000 1.032 996 K CA -0.434 55.860 56.287 0.012 0.000 0.958 996 K CB 0.400 32.895 32.500 -0.008 0.000 0.978 996 K HN 0.343 nan 8.250 nan 0.000 0.472 997 L N 3.175 124.399 121.223 0.002 0.000 2.257 997 L HA 0.218 4.557 4.340 -0.001 0.000 0.290 997 L C -0.609 176.224 176.870 -0.062 0.000 1.044 997 L CA -0.155 54.676 54.840 -0.015 0.000 0.810 997 L CB 0.801 42.863 42.059 0.005 0.000 1.193 997 L HN 0.445 nan 8.230 nan 0.000 0.425 998 D N 3.564 123.917 120.400 -0.077 0.000 2.472 998 D HA 0.161 4.800 4.640 -0.001 0.000 0.234 998 D C 1.052 177.253 176.300 -0.165 0.000 1.088 998 D CA -0.295 53.635 54.000 -0.116 0.000 0.882 998 D CB 1.206 41.977 40.800 -0.048 0.000 1.037 998 D HN 0.380 nan 8.370 nan 0.000 0.520 999 V N 1.427 121.146 119.914 -0.325 0.000 2.594 999 V HA -0.174 3.945 4.120 -0.001 0.000 0.253 999 V C 2.145 177.937 176.094 -0.503 0.000 1.069 999 V CA 1.035 62.972 62.300 -0.605 0.000 1.082 999 V CB -1.097 30.087 31.823 -1.065 0.000 0.680 999 V HN 0.612 nan 8.190 nan 0.000 0.469 1000 c N 0.565 119.001 118.600 -0.273 0.000 2.437 1000 c HA -0.002 4.567 4.570 -0.001 0.000 0.283 1000 c C 2.061 176.051 174.090 -0.167 0.000 1.424 1000 c CA 1.288 57.525 56.329 -0.153 0.000 1.782 1000 c CB -1.807 40.601 42.510 -0.170 0.000 1.833 1000 c HN 0.771 nan 8.230 nan 0.000 0.532 1001 H N -1.053 117.992 119.070 -0.041 0.000 2.505 1001 H HA 0.275 4.830 4.556 -0.001 0.000 0.286 1001 H C 1.633 176.991 175.328 0.052 0.000 1.072 1001 H CA -0.060 56.004 56.048 0.026 0.000 1.141 1001 H CB 0.061 29.821 29.762 -0.005 0.000 1.550 1001 H HN 0.336 nan 8.280 nan 0.000 0.547 1002 L N -0.140 121.144 121.223 0.102 0.000 2.217 1002 L HA 0.008 4.348 4.340 -0.001 0.000 0.211 1002 L C 0.105 177.120 176.870 0.242 0.000 1.107 1002 L CA 0.888 55.817 54.840 0.148 0.000 0.783 1002 L CB 0.145 42.257 42.059 0.087 0.000 0.919 1002 L HN 0.204 nan 8.230 nan 0.000 0.442 1003 L N -0.370 120.959 121.223 0.176 0.000 2.330 1003 L HA 0.421 4.760 4.340 -0.001 0.000 0.271 1003 L C -2.134 174.799 176.870 0.105 0.000 1.013 1003 L CA -1.970 52.909 54.840 0.066 0.000 0.816 1003 L CB 1.599 43.480 42.059 -0.297 0.000 1.287 1003 L HN -0.218 nan 8.230 nan 0.000 0.435 1004 P HA 0.168 nan 4.420 nan 0.000 0.277 1004 P C -0.849 176.568 177.300 0.195 0.000 1.271 1004 P CA -0.354 62.822 63.100 0.127 0.000 0.795 1004 P CB 0.379 32.128 31.700 0.083 0.000 1.101 1005 N N -3.312 115.477 118.700 0.149 0.000 2.735 1005 N HA -0.152 4.587 4.740 -0.001 0.000 0.248 1005 N C 0.030 175.613 175.510 0.123 0.000 1.083 1005 N CA 0.002 53.128 53.050 0.128 0.000 0.703 1005 N CB -1.770 36.783 38.487 0.111 0.000 1.005 1005 N HN 0.232 nan 8.380 nan 0.000 0.550 1006 V N 0.081 120.025 119.914 0.050 0.000 2.585 1006 V HA 0.344 4.463 4.120 -0.001 0.000 0.296 1006 V C 1.178 177.165 176.094 -0.178 0.000 1.035 1006 V CA 1.182 63.337 62.300 -0.242 0.000 1.084 1006 V CB 1.204 32.784 31.823 -0.405 0.000 0.953 1006 V HN 0.405 nan 8.190 nan 0.000 0.483 1007 A N 7.029 129.723 122.820 -0.211 0.000 2.192 1007 A HA 0.482 4.801 4.320 -0.001 0.000 0.208 1007 A C 0.950 178.494 177.584 -0.068 0.000 1.220 1007 A CA 0.040 52.019 52.037 -0.098 0.000 0.900 1007 A CB 0.259 19.218 19.000 -0.067 0.000 0.937 1007 A HN 0.773 nan 8.150 nan 0.000 0.487 1008 R N -1.652 118.779 120.500 -0.116 0.000 2.634 1008 R HA 0.481 4.821 4.340 -0.001 0.000 0.263 1008 R C -2.317 173.944 176.300 -0.066 0.000 1.060 1008 R CA -0.338 55.754 56.100 -0.015 0.000 0.898 1008 R CB 1.460 31.782 30.300 0.037 0.000 1.253 1008 R HN 0.290 nan 8.270 nan 0.000 0.461 1009 c N 2.685 121.281 118.600 -0.006 0.000 2.431 1009 c HA 0.612 5.181 4.570 -0.001 0.000 0.321 1009 c C -1.162 172.988 174.090 0.100 0.000 1.202 1009 c CA -0.203 56.130 56.329 0.007 0.000 1.398 1009 c CB 1.211 43.687 42.510 -0.057 0.000 2.047 1009 c HN 0.913 nan 8.230 nan 0.000 0.465 1010 E N 3.078 123.376 120.200 0.164 0.000 2.248 1010 E HA 0.422 4.771 4.350 -0.001 0.000 0.267 1010 E C -0.911 175.850 176.600 0.269 0.000 0.877 1010 E CA -0.590 55.928 56.400 0.197 0.000 0.759 1010 E CB 1.876 31.668 29.700 0.153 0.000 1.182 1010 E HN 0.643 nan 8.360 nan 0.000 0.418 1011 R N 1.540 122.182 120.500 0.236 0.000 2.390 1011 R HA 0.295 4.635 4.340 -0.001 0.000 0.291 1011 R C -0.437 175.892 176.300 0.048 0.000 1.070 1011 R CA 0.160 56.323 56.100 0.105 0.000 1.014 1011 R CB 0.617 30.953 30.300 0.059 0.000 1.007 1011 R HN 0.675 nan 8.270 nan 0.000 0.466 1012 T N -0.290 114.267 114.554 0.005 0.000 2.887 1012 T HA 0.346 4.695 4.350 -0.001 0.000 0.292 1012 T C 0.085 174.772 174.700 -0.021 0.000 1.087 1012 T CA -0.777 61.350 62.100 0.045 0.000 1.009 1012 T CB 1.394 70.359 68.868 0.162 0.000 1.203 1012 T HN 0.627 nan 8.240 nan 0.000 0.518 1013 T N 0.208 114.753 114.554 -0.015 0.000 2.791 1013 T HA 0.184 4.533 4.350 -0.001 0.000 0.323 1013 T C 1.590 176.218 174.700 -0.120 0.000 1.082 1013 T CA -0.659 61.410 62.100 -0.052 0.000 1.084 1013 T CB -0.068 68.784 68.868 -0.026 0.000 0.992 1013 T HN 0.568 nan 8.240 nan 0.000 0.547 1014 L N 1.150 122.284 121.223 -0.148 0.000 2.362 1014 L HA -0.036 4.304 4.340 -0.001 0.000 0.219 1014 L C 2.859 179.440 176.870 -0.481 0.000 1.134 1014 L CA 1.417 56.103 54.840 -0.256 0.000 0.807 1014 L CB -1.017 40.972 42.059 -0.117 0.000 0.927 1014 L HN 0.989 nan 8.230 nan 0.000 0.447 1015 T N -4.929 109.443 114.554 -0.303 0.000 3.100 1015 T HA -0.001 4.348 4.350 -0.001 0.000 0.253 1015 T C 0.743 175.320 174.700 -0.206 0.000 1.118 1015 T CA -0.181 61.762 62.100 -0.261 0.000 1.058 1015 T CB -0.109 68.735 68.868 -0.039 0.000 0.953 1015 T HN 0.206 nan 8.240 nan 0.000 0.515 1016 F N -0.905 119.058 119.950 0.021 0.000 2.840 1016 F HA -0.182 4.344 4.527 -0.001 0.000 0.310 1016 F C 1.005 176.806 175.800 0.001 0.000 0.688 1016 F CA -0.125 57.880 58.000 0.009 0.000 1.286 1016 F CB -2.331 36.670 39.000 0.001 0.000 1.612 1016 F HN 0.237 nan 8.300 nan 0.000 0.335 1017 L N -0.947 120.349 121.223 0.120 0.000 2.477 1017 L HA 0.105 4.445 4.340 -0.001 0.000 0.220 1017 L C 1.096 177.989 176.870 0.038 0.000 1.106 1017 L CA 0.896 55.778 54.840 0.069 0.000 0.851 1017 L CB 0.166 42.248 42.059 0.039 0.000 0.994 1017 L HN 0.334 nan 8.230 nan 0.000 0.462 1018 Q N 0.418 120.240 119.800 0.037 0.000 2.331 1018 Q HA 0.278 4.617 4.340 -0.001 0.000 0.272 1018 Q C -1.189 174.830 176.000 0.032 0.000 1.062 1018 Q CA -0.720 55.094 55.803 0.018 0.000 0.806 1018 Q CB 1.974 30.708 28.738 -0.007 0.000 1.312 1018 Q HN 0.084 nan 8.270 nan 0.000 0.431 1019 N N 4.301 123.018 118.700 0.030 0.000 2.458 1019 N HA 0.186 4.926 4.740 -0.001 0.000 0.270 1019 N C 0.306 175.834 175.510 0.031 0.000 1.102 1019 N CA 0.212 53.288 53.050 0.042 0.000 0.967 1019 N CB 1.099 39.610 38.487 0.040 0.000 1.078 1019 N HN 0.630 nan 8.380 nan 0.000 0.471 1020 L N 0.522 121.768 121.223 0.037 0.000 2.537 1020 L HA 0.296 4.635 4.340 -0.001 0.000 0.224 1020 L C 0.605 177.503 176.870 0.046 0.000 1.065 1020 L CA 0.410 55.266 54.840 0.026 0.000 0.860 1020 L CB 0.344 42.407 42.059 0.007 0.000 1.086 1020 L HN 0.519 nan 8.230 nan 0.000 0.482 1021 E N -0.307 119.939 120.200 0.077 0.000 2.347 1021 E HA 0.110 4.460 4.350 -0.001 0.000 0.285 1021 E C -1.297 175.394 176.600 0.152 0.000 0.925 1021 E CA -0.533 55.927 56.400 0.100 0.000 0.779 1021 E CB 1.455 31.206 29.700 0.086 0.000 1.233 1021 E HN 0.090 nan 8.360 nan 0.000 0.414 1022 H N 6.192 125.287 119.070 0.041 0.000 2.668 1022 H HA 0.294 4.849 4.556 -0.001 0.000 0.303 1022 H C -0.812 174.540 175.328 0.041 0.000 1.074 1022 H CA -0.398 55.672 56.048 0.037 0.000 1.406 1022 H CB 0.629 30.403 29.762 0.020 0.000 1.442 1022 H HN 0.395 nan 8.280 nan 0.000 0.482 1023 L N 5.353 126.450 121.223 -0.211 0.000 2.276 1023 L HA 0.105 4.445 4.340 -0.001 0.000 0.286 1023 L C 0.236 176.942 176.870 -0.274 0.000 1.061 1023 L CA -0.843 53.898 54.840 -0.165 0.000 0.807 1023 L CB 1.092 43.125 42.059 -0.044 0.000 1.177 1023 L HN 0.646 nan 8.230 nan 0.000 0.429 1024 D N 2.615 122.909 120.400 -0.177 0.000 2.488 1024 D HA 0.143 4.782 4.640 -0.001 0.000 0.238 1024 D C 1.183 177.428 176.300 -0.092 0.000 1.138 1024 D CA 1.303 55.220 54.000 -0.138 0.000 0.873 1024 D CB 1.165 41.922 40.800 -0.072 0.000 1.183 1024 D HN 0.829 nan 8.370 nan 0.000 0.458 1025 G N 2.895 111.653 108.800 -0.070 0.000 2.166 1025 G HA2 -0.404 3.555 3.960 -0.001 0.000 0.260 1025 G HA3 -0.404 3.555 3.960 -0.001 0.000 0.260 1025 G C 0.790 175.712 174.900 0.037 0.000 0.986 1025 G CA 0.496 45.588 45.100 -0.014 0.000 0.683 1025 G HN 0.651 nan 8.290 nan 0.000 0.527 1026 M N -2.702 116.879 119.600 -0.032 0.000 2.576 1026 M HA -0.193 4.287 4.480 -0.001 0.000 0.200 1026 M C 0.110 176.433 176.300 0.038 0.000 0.487 1026 M CA 0.935 56.214 55.300 -0.035 0.000 0.553 1026 M CB -1.865 30.693 32.600 -0.071 0.000 2.042 1026 M HN 0.226 nan 8.290 nan 0.000 0.758 1027 V N 0.778 120.700 119.914 0.015 0.000 2.370 1027 V HA 0.716 4.835 4.120 -0.001 0.000 0.283 1027 V C 0.654 176.669 176.094 -0.132 0.000 1.023 1027 V CA -0.343 61.954 62.300 -0.005 0.000 0.857 1027 V CB 1.720 33.529 31.823 -0.023 0.000 0.985 1027 V HN 0.379 nan 8.190 nan 0.000 0.443 1028 A N 7.941 130.599 122.820 -0.269 0.000 2.310 1028 A HA 0.728 5.048 4.320 -0.001 0.000 0.300 1028 A C -2.421 174.890 177.584 -0.455 0.000 1.269 1028 A CA -1.413 50.237 52.037 -0.646 0.000 0.909 1028 A CB 0.045 18.369 19.000 -1.127 0.000 1.144 1028 A HN 0.634 nan 8.150 nan 0.000 0.540 1029 P HA 0.171 nan 4.420 nan 0.000 0.272 1029 P C -0.072 177.218 177.300 -0.017 0.000 1.223 1029 P CA -0.151 62.904 63.100 -0.075 0.000 0.784 1029 P CB 0.566 32.285 31.700 0.031 0.000 0.923 1030 E N -0.068 120.135 120.200 0.005 0.000 2.392 1030 E HA 0.235 4.585 4.350 -0.001 0.000 0.256 1030 E C 0.089 176.739 176.600 0.084 0.000 1.145 1030 E CA -0.708 55.723 56.400 0.052 0.000 0.929 1030 E CB 0.441 30.153 29.700 0.020 0.000 0.998 1030 E HN 0.281 nan 8.360 nan 0.000 0.442 1031 V N -1.472 118.493 119.914 0.084 0.000 3.096 1031 V HA 0.384 4.503 4.120 -0.001 0.000 0.319 1031 V C 0.121 176.218 176.094 0.005 0.000 1.082 1031 V CA -1.103 61.236 62.300 0.065 0.000 1.022 1031 V CB 1.304 33.171 31.823 0.074 0.000 1.103 1031 V HN 0.740 nan 8.190 nan 0.000 0.455 1032 c N 2.214 120.811 118.600 -0.004 0.000 2.500 1032 c HA 0.466 5.036 4.570 -0.001 0.000 0.367 1032 c C -2.127 171.908 174.090 -0.092 0.000 1.283 1032 c CA -0.395 55.913 56.329 -0.035 0.000 2.456 1032 c CB 0.116 42.622 42.510 -0.007 0.000 2.457 1032 c HN 0.811 nan 8.230 nan 0.000 0.632 1033 P HA 0.042 nan 4.420 nan 0.000 0.262 1033 P C 0.267 177.415 177.300 -0.253 0.000 1.182 1033 P CA 0.961 63.925 63.100 -0.226 0.000 0.761 1033 P CB 0.175 31.722 31.700 -0.255 0.000 0.795 1034 M N -1.145 118.256 119.600 -0.333 0.000 2.939 1034 M HA -0.181 4.299 4.480 -0.001 0.000 0.194 1034 M C -0.111 176.199 176.300 0.017 0.000 0.617 1034 M CA 1.371 56.466 55.300 -0.341 0.000 0.734 1034 M CB -2.046 30.024 32.600 -0.882 0.000 2.637 1034 M HN 0.414 nan 8.290 nan 0.000 0.316 1035 E N 0.481 120.681 120.200 0.000 0.000 2.227 1035 E HA 0.694 5.044 4.350 -0.001 0.000 0.268 1035 E C 0.034 176.710 176.600 0.127 0.000 0.990 1035 E CA -0.071 56.404 56.400 0.126 0.000 0.856 1035 E CB 1.452 31.191 29.700 0.064 0.000 1.159 1035 E HN 0.141 nan 8.360 nan 0.000 0.401 1036 T N 0.611 115.258 114.554 0.155 0.000 2.881 1036 T HA 0.691 5.040 4.350 -0.001 0.000 0.290 1036 T C -0.800 173.919 174.700 0.031 0.000 1.000 1036 T CA -0.652 61.546 62.100 0.163 0.000 0.978 1036 T CB 1.612 70.583 68.868 0.172 0.000 0.997 1036 T HN 0.510 nan 8.240 nan 0.000 0.443 1037 A N 1.875 124.716 122.820 0.034 0.000 2.479 1037 A HA 1.005 5.324 4.320 -0.001 0.000 0.296 1037 A C -1.048 176.448 177.584 -0.148 0.000 1.121 1037 A CA -0.951 51.011 52.037 -0.125 0.000 0.743 1037 A CB 1.521 20.395 19.000 -0.210 0.000 1.323 1037 A HN 1.114 nan 8.150 nan 0.000 0.415 1038 A N 0.142 122.781 122.820 -0.301 0.000 2.386 1038 A HA 0.811 5.131 4.320 -0.001 0.000 0.311 1038 A C -1.621 175.786 177.584 -0.294 0.000 1.068 1038 A CA -0.343 51.630 52.037 -0.107 0.000 0.743 1038 A CB 0.764 19.742 19.000 -0.037 0.000 1.258 1038 A HN 0.838 nan 8.150 nan 0.000 0.429 1039 Y N 0.113 120.626 120.300 0.356 0.000 2.512 1039 Y HA 0.584 5.133 4.550 -0.001 0.000 0.348 1039 Y C -0.235 175.831 175.900 0.276 0.000 0.990 1039 Y CA -0.914 57.347 58.100 0.268 0.000 1.033 1039 Y CB 2.499 41.078 38.460 0.198 0.000 1.259 1039 Y HN 0.415 nan 8.280 nan 0.000 0.461 1040 V N 2.343 122.450 119.914 0.321 0.000 2.444 1040 V HA 0.490 4.609 4.120 -0.001 0.000 0.294 1040 V C -0.647 175.527 176.094 0.133 0.000 1.022 1040 V CA -0.938 61.445 62.300 0.138 0.000 0.850 1040 V CB 1.701 33.544 31.823 0.033 0.000 0.992 1040 V HN 0.829 nan 8.190 nan 0.000 0.426 1041 S N 3.421 119.204 115.700 0.139 0.000 2.489 1041 S HA 0.724 5.194 4.470 -0.001 0.000 0.291 1041 S C -0.228 174.304 174.600 -0.114 0.000 1.151 1041 S CA -0.590 57.618 58.200 0.013 0.000 1.082 1041 S CB 1.621 64.898 63.200 0.129 0.000 1.019 1041 S HN 0.556 nan 8.310 nan 0.000 0.492 1042 S N 2.330 117.840 115.700 -0.317 0.000 2.501 1042 S HA 0.542 5.011 4.470 -0.001 0.000 0.301 1042 S C -0.916 173.355 174.600 -0.548 0.000 1.096 1042 S CA -0.760 57.288 58.200 -0.253 0.000 1.063 1042 S CB 0.521 63.650 63.200 -0.119 0.000 1.042 1042 S HN 0.790 nan 8.310 nan 0.000 0.494 1043 H N 0.635 119.693 119.070 -0.020 0.000 2.759 1043 H HA 0.324 4.879 4.556 -0.001 0.000 0.354 1043 H C -0.776 174.546 175.328 -0.010 0.000 1.074 1043 H CA -0.634 55.404 56.048 -0.016 0.000 1.226 1043 H CB 1.645 31.399 29.762 -0.014 0.000 1.648 1043 H HN 0.491 nan 8.280 nan 0.000 0.529 1044 S N 2.166 117.914 115.700 0.080 0.000 2.531 1044 S HA 0.275 4.744 4.470 -0.001 0.000 0.279 1044 S C 0.669 175.306 174.600 0.062 0.000 1.305 1044 S CA -0.414 57.817 58.200 0.053 0.000 1.058 1044 S CB 0.688 63.907 63.200 0.032 0.000 0.899 1044 S HN 0.738 nan 8.310 nan 0.000 0.493 1045 S N 0.000 115.726 115.700 0.044 0.000 2.498 1045 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.220 58.200 0.034 0.000 1.107 1045 S CB 0.000 63.219 63.200 0.031 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517