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 3bub_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 0.000 176.006 176.000 0.011 0.000 1.003 30 Q CA 0.000 55.807 55.803 0.006 0.000 1.022 30 Q CB 0.000 28.743 28.738 0.008 0.000 1.108 31 c N 3.459 122.061 118.600 0.003 0.000 2.601 31 c HA 0.375 4.945 4.570 -0.001 0.000 0.409 31 c C 0.444 174.543 174.090 0.015 0.000 1.293 31 c CA -0.347 55.985 56.329 0.005 0.000 2.101 31 c CB 0.600 43.099 42.510 -0.019 0.000 2.639 31 c HN 0.728 nan 8.230 nan 0.000 0.592 32 Q N 1.688 121.512 119.800 0.040 0.000 2.361 32 Q HA 0.030 4.370 4.340 -0.001 0.000 0.276 32 Q C 0.009 176.035 176.000 0.044 0.000 1.022 32 Q CA 0.433 56.274 55.803 0.065 0.000 0.898 32 Q CB 0.511 29.324 28.738 0.125 0.000 1.246 32 Q HN 0.630 nan 8.270 nan 0.000 0.410 33 D N 1.950 122.378 120.400 0.046 0.000 2.339 33 D HA 0.038 4.677 4.640 -0.001 0.000 0.256 33 D C 0.527 176.871 176.300 0.074 0.000 1.214 33 D CA -0.124 53.887 54.000 0.019 0.000 0.877 33 D CB 1.161 41.972 40.800 0.019 0.000 1.111 33 D HN 0.390 nan 8.370 nan 0.000 0.478 34 V N 2.200 122.110 119.914 -0.006 0.000 3.649 34 V HA 0.077 4.197 4.120 -0.001 0.000 0.275 34 V C 1.133 177.280 176.094 0.088 0.000 1.281 34 V CA 0.089 62.443 62.300 0.090 0.000 1.143 34 V CB 0.215 31.915 31.823 -0.205 0.000 0.892 34 V HN 0.387 nan 8.190 nan 0.000 0.441 35 V N -0.112 119.774 119.914 -0.047 0.000 3.013 35 V HA 0.096 4.215 4.120 -0.001 0.000 0.238 35 V C 2.302 178.375 176.094 -0.034 0.000 1.161 35 V CA 1.190 63.412 62.300 -0.131 0.000 1.170 35 V CB 0.090 31.786 31.823 -0.211 0.000 0.917 35 V HN 0.472 nan 8.190 nan 0.000 0.478 36 Q N -0.260 119.570 119.800 0.050 0.000 2.396 36 Q HA 0.117 4.457 4.340 -0.001 0.000 0.209 36 Q C -0.413 175.671 176.000 0.140 0.000 0.906 36 Q CA 0.352 56.201 55.803 0.076 0.000 0.927 36 Q CB 0.572 29.329 28.738 0.031 0.000 1.069 36 Q HN 0.505 nan 8.270 nan 0.000 0.523 37 D N 1.266 121.780 120.400 0.190 0.000 2.392 37 D HA 0.178 4.818 4.640 -0.001 0.000 0.228 37 D C -0.690 175.726 176.300 0.193 0.000 1.074 37 D CA -0.257 53.839 54.000 0.159 0.000 0.838 37 D CB 2.221 43.093 40.800 0.120 0.000 1.067 37 D HN -0.173 nan 8.370 nan 0.000 0.511 38 V N 4.677 124.670 119.914 0.131 0.000 2.439 38 V HA 0.133 4.252 4.120 -0.001 0.000 0.271 38 V C -1.909 174.165 176.094 -0.033 0.000 1.040 38 V CA -1.206 61.095 62.300 0.002 0.000 1.002 38 V CB 0.445 32.274 31.823 0.011 0.000 1.000 38 V HN 0.302 nan 8.190 nan 0.000 0.477 39 P HA 0.073 nan 4.420 nan 0.000 0.268 39 P C -0.425 176.847 177.300 -0.046 0.000 1.205 39 P CA -0.094 62.977 63.100 -0.049 0.000 0.771 39 P CB 0.357 32.009 31.700 -0.079 0.000 0.858 40 N N 2.865 121.553 118.700 -0.020 0.000 2.439 40 N HA 0.332 5.072 4.740 -0.001 0.000 0.249 40 N C -1.071 174.431 175.510 -0.015 0.000 1.003 40 N CA -0.414 52.626 53.050 -0.016 0.000 0.942 40 N CB 0.124 38.610 38.487 -0.002 0.000 1.115 40 N HN 0.110 nan 8.380 nan 0.000 0.505 41 V N 0.450 120.348 119.914 -0.026 0.000 3.001 41 V HA 0.544 4.663 4.120 -0.001 0.000 0.314 41 V C 0.575 176.654 176.094 -0.025 0.000 1.099 41 V CA -0.740 61.547 62.300 -0.021 0.000 0.989 41 V CB 2.053 33.853 31.823 -0.039 0.000 1.040 41 V HN 0.403 nan 8.190 nan 0.000 0.434 42 D N 0.856 121.248 120.400 -0.014 0.000 2.149 42 D HA 0.026 4.665 4.640 -0.001 0.000 0.201 42 D C 0.492 176.760 176.300 -0.053 0.000 0.972 42 D CA 1.604 55.593 54.000 -0.019 0.000 0.835 42 D CB 0.479 41.284 40.800 0.008 0.000 0.966 42 D HN 0.418 nan 8.370 nan 0.000 0.476 43 V N 1.579 121.439 119.914 -0.089 0.000 2.483 43 V HA 0.211 4.331 4.120 -0.001 0.000 0.297 43 V C -0.335 175.662 176.094 -0.162 0.000 1.027 43 V CA -0.736 61.481 62.300 -0.139 0.000 0.855 43 V CB 2.330 34.026 31.823 -0.212 0.000 0.995 43 V HN -0.072 nan 8.190 nan 0.000 0.424 44 Q N 4.610 124.327 119.800 -0.139 0.000 2.341 44 Q HA 0.437 4.777 4.340 -0.001 0.000 0.268 44 Q C 0.416 176.317 176.000 -0.164 0.000 1.013 44 Q CA -0.683 55.029 55.803 -0.150 0.000 0.798 44 Q CB 1.879 30.549 28.738 -0.112 0.000 1.253 44 Q HN 0.671 nan 8.270 nan 0.000 0.457 45 M N 3.066 122.521 119.600 -0.242 0.000 2.213 45 M HA -0.155 4.325 4.480 -0.001 0.000 0.263 45 M C 1.586 177.779 176.300 -0.178 0.000 1.062 45 M CA 0.927 56.070 55.300 -0.261 0.000 1.105 45 M CB -0.770 31.541 32.600 -0.482 0.000 1.385 45 M HN 0.566 nan 8.290 nan 0.000 0.417 46 L N 0.679 121.792 121.223 -0.184 0.000 2.056 46 L HA -0.131 4.209 4.340 -0.001 0.000 0.207 46 L C 2.483 179.342 176.870 -0.019 0.000 1.078 46 L CA 1.819 56.581 54.840 -0.129 0.000 0.749 46 L CB -0.647 41.313 42.059 -0.165 0.000 0.901 46 L HN 0.267 nan 8.230 nan 0.000 0.433 47 E N -0.408 119.769 120.200 -0.039 0.000 2.072 47 E HA -0.230 4.120 4.350 -0.001 0.000 0.191 47 E C 2.204 178.815 176.600 0.019 0.000 0.985 47 E CA 1.430 57.822 56.400 -0.013 0.000 0.801 47 E CB -0.274 29.404 29.700 -0.036 0.000 0.750 47 E HN 0.440 nan 8.360 nan 0.000 0.452 48 L N 0.495 121.728 121.223 0.018 0.000 2.012 48 L HA -0.194 4.146 4.340 -0.001 0.000 0.210 48 L C 2.287 179.227 176.870 0.117 0.000 1.073 48 L CA 1.684 56.544 54.840 0.034 0.000 0.748 48 L CB -0.978 41.090 42.059 0.014 0.000 0.891 48 L HN 0.125 nan 8.230 nan 0.000 0.431 49 Y N -0.030 120.269 120.300 -0.002 0.000 2.207 49 Y HA -0.269 4.280 4.550 -0.001 0.000 0.287 49 Y C 2.540 178.521 175.900 0.136 0.000 1.156 49 Y CA 1.838 60.018 58.100 0.134 0.000 1.182 49 Y CB -0.648 37.891 38.460 0.132 0.000 0.979 49 Y HN 0.376 nan 8.280 nan 0.000 0.521 50 D N -0.267 120.243 120.400 0.182 0.000 2.219 50 D HA -0.137 4.502 4.640 -0.001 0.000 0.205 50 D C 1.878 178.215 176.300 0.062 0.000 0.970 50 D CA 1.148 55.210 54.000 0.102 0.000 0.851 50 D CB 0.018 40.852 40.800 0.057 0.000 0.943 50 D HN 0.515 nan 8.370 nan 0.000 0.488 51 R N -1.282 119.237 120.500 0.032 0.000 2.397 51 R HA 0.275 4.614 4.340 -0.001 0.000 0.241 51 R C 0.573 176.841 176.300 -0.054 0.000 0.914 51 R CA -0.276 55.819 56.100 -0.009 0.000 1.071 51 R CB 0.000 30.288 30.300 -0.020 0.000 1.116 51 R HN 0.070 nan 8.270 nan 0.000 0.524 52 M N 1.602 121.140 119.600 -0.102 0.000 2.255 52 M HA 0.085 4.565 4.480 -0.001 0.000 0.336 52 M C 1.096 177.291 176.300 -0.175 0.000 1.135 52 M CA -0.057 55.082 55.300 -0.268 0.000 1.145 52 M CB 1.807 34.002 32.600 -0.676 0.000 1.473 52 M HN 0.219 nan 8.290 nan 0.000 0.462 53 S N 1.339 116.929 115.700 -0.184 0.000 2.503 53 S HA 0.083 4.553 4.470 -0.001 0.000 0.215 53 S C 0.663 175.339 174.600 0.127 0.000 1.003 53 S CA -0.140 58.057 58.200 -0.005 0.000 0.910 53 S CB -0.185 63.002 63.200 -0.021 0.000 0.790 53 S HN 0.760 nan 8.310 nan 0.000 0.514 54 F N 0.657 120.537 119.950 -0.118 0.000 3.069 54 F HA -0.154 4.373 4.527 -0.001 0.000 0.285 54 F C 0.241 176.054 175.800 0.022 0.000 0.827 54 F CA 0.510 58.449 58.000 -0.102 0.000 1.108 54 F CB -1.880 37.036 39.000 -0.141 0.000 1.252 54 F HN 0.134 nan 8.300 nan 0.000 0.483 55 K N 1.154 121.630 120.400 0.127 0.000 2.350 55 K HA 0.143 4.462 4.320 -0.001 0.000 0.279 55 K C 0.249 176.958 176.600 0.181 0.000 1.027 55 K CA -0.115 56.252 56.287 0.134 0.000 0.969 55 K CB 0.547 33.088 32.500 0.068 0.000 0.954 55 K HN 0.065 nan 8.250 nan 0.000 0.474 56 D N 3.436 123.954 120.400 0.197 0.000 2.564 56 D HA 0.168 4.808 4.640 -0.001 0.000 0.226 56 D C -0.297 176.050 176.300 0.078 0.000 1.149 56 D CA -0.523 53.599 54.000 0.204 0.000 0.994 56 D CB -0.612 40.315 40.800 0.211 0.000 1.029 56 D HN 0.458 nan 8.370 nan 0.000 0.517 57 I N -1.284 119.320 120.570 0.056 0.000 2.577 57 I HA 0.482 4.651 4.170 -0.001 0.000 0.305 57 I C 0.117 176.226 176.117 -0.015 0.000 0.986 57 I CA -0.953 60.357 61.300 0.016 0.000 1.189 57 I CB 1.416 39.425 38.000 0.015 0.000 1.355 57 I HN -0.127 nan 8.210 nan 0.000 0.476 58 D N 4.210 124.599 120.400 -0.017 0.000 2.342 58 D HA 0.175 4.815 4.640 -0.001 0.000 0.260 58 D C 0.969 177.256 176.300 -0.021 0.000 1.278 58 D CA 0.068 54.052 54.000 -0.027 0.000 0.910 58 D CB 1.426 42.218 40.800 -0.014 0.000 1.079 58 D HN 0.848 nan 8.370 nan 0.000 0.496 59 G N 2.411 111.182 108.800 -0.048 0.000 3.088 59 G HA2 0.429 4.388 3.960 -0.001 0.000 0.212 59 G HA3 0.429 4.388 3.960 -0.001 0.000 0.212 59 G C 0.888 175.792 174.900 0.005 0.000 1.173 59 G CA 0.351 45.428 45.100 -0.039 0.000 0.779 59 G HN 0.895 nan 8.290 nan 0.000 0.540 60 G N -0.593 108.216 108.800 0.014 0.000 2.445 60 G HA2 -0.137 3.822 3.960 -0.001 0.000 0.212 60 G HA3 -0.137 3.822 3.960 -0.001 0.000 0.212 60 G C 1.200 176.125 174.900 0.041 0.000 1.217 60 G CA 0.665 45.785 45.100 0.034 0.000 1.002 60 G HN 1.107 nan 8.290 nan 0.000 0.574 61 V N -3.571 116.367 119.914 0.040 0.000 2.392 61 V HA 0.063 4.183 4.120 -0.001 0.000 0.249 61 V C 1.462 177.589 176.094 0.055 0.000 1.059 61 V CA 2.444 64.751 62.300 0.011 0.000 1.051 61 V CB -0.580 31.216 31.823 -0.046 0.000 0.658 61 V HN 1.448 nan 8.190 nan 0.000 0.455 62 W N 2.590 123.803 121.300 -0.144 0.000 2.365 62 W HA 0.429 5.088 4.660 -0.001 0.000 0.371 62 W C 1.165 177.651 176.519 -0.055 0.000 1.006 62 W CA -1.753 55.502 57.345 -0.150 0.000 1.528 62 W CB 0.230 29.572 29.460 -0.196 0.000 1.497 62 W HN 0.054 nan 8.180 nan 0.000 0.367 63 K N 2.609 123.105 120.400 0.159 0.000 2.147 63 K HA -0.178 4.141 4.320 -0.001 0.000 0.205 63 K C 0.868 177.391 176.600 -0.128 0.000 1.049 63 K CA 1.480 57.764 56.287 -0.005 0.000 0.936 63 K CB 0.169 32.661 32.500 -0.012 0.000 0.722 63 K HN 0.556 nan 8.250 nan 0.000 0.446 64 Q N -0.782 118.903 119.800 -0.191 0.000 2.188 64 Q HA 0.146 4.485 4.340 -0.001 0.000 0.212 64 Q C 0.770 176.422 176.000 -0.580 0.000 0.846 64 Q CA -0.352 55.314 55.803 -0.229 0.000 0.989 64 Q CB 1.303 30.036 28.738 -0.008 0.000 1.114 64 Q HN 0.223 nan 8.270 nan 0.000 0.488 65 G N 0.565 108.584 108.800 -1.302 0.000 3.392 65 G HA2 0.510 4.470 3.960 -0.001 0.000 0.185 65 G HA3 0.510 4.470 3.960 -0.001 0.000 0.185 65 G C -1.429 173.149 174.900 -0.536 0.000 1.206 65 G CA -0.326 43.741 45.100 -1.721 0.000 0.776 65 G HN 0.353 nan 8.290 nan 0.000 0.697 66 W N -1.328 119.673 121.300 -0.499 0.000 2.988 66 W HA 0.650 5.309 4.660 -0.000 0.000 0.355 66 W C -1.434 175.171 176.519 0.143 0.000 1.233 66 W CA -1.173 56.115 57.345 -0.094 0.000 1.176 66 W CB 0.664 30.087 29.460 -0.063 0.000 1.477 66 W HN 0.178 nan 8.180 nan 0.000 0.582 67 N N 2.070 120.920 118.700 0.250 0.000 2.399 67 N HA 0.223 4.963 4.740 -0.001 0.000 0.259 67 N C -0.347 175.300 175.510 0.229 0.000 1.160 67 N CA 0.017 53.170 53.050 0.171 0.000 0.946 67 N CB 0.338 38.926 38.487 0.169 0.000 1.156 67 N HN 0.402 nan 8.380 nan 0.000 0.489 68 I N 2.164 122.773 120.570 0.065 0.000 2.556 68 I HA 0.029 4.199 4.170 -0.001 0.000 0.284 68 I C 0.717 176.993 176.117 0.265 0.000 1.114 68 I CA 0.192 61.599 61.300 0.179 0.000 1.418 68 I CB 0.512 38.561 38.000 0.082 0.000 1.394 68 I HN 0.134 nan 8.210 nan 0.000 0.552 69 K N 6.145 126.738 120.400 0.322 0.000 2.259 69 K HA 0.606 4.926 4.320 -0.001 0.000 0.249 69 K C -1.318 175.448 176.600 0.278 0.000 0.942 69 K CA -0.667 55.740 56.287 0.201 0.000 0.816 69 K CB 2.168 34.752 32.500 0.140 0.000 1.155 69 K HN 0.476 nan 8.250 nan 0.000 0.428 70 Y N -2.098 118.292 120.300 0.149 0.000 2.581 70 Y HA 0.445 4.994 4.550 -0.001 0.000 0.345 70 Y C -1.082 174.886 175.900 0.113 0.000 1.036 70 Y CA -1.534 56.652 58.100 0.144 0.000 1.042 70 Y CB 1.211 39.780 38.460 0.183 0.000 1.289 70 Y HN 0.385 nan 8.280 nan 0.000 0.471 71 D N 2.950 123.495 120.400 0.242 0.000 2.316 71 D HA 0.315 4.954 4.640 -0.001 0.000 0.245 71 D C -1.911 174.543 176.300 0.256 0.000 1.171 71 D CA -2.519 51.564 54.000 0.139 0.000 0.856 71 D CB 1.712 42.563 40.800 0.085 0.000 1.090 71 D HN 0.384 nan 8.370 nan 0.000 0.476 72 P HA -0.069 nan 4.420 nan 0.000 0.219 72 P C 1.365 178.805 177.300 0.233 0.000 1.146 72 P CA 0.781 64.073 63.100 0.320 0.000 0.808 72 P CB 0.246 32.067 31.700 0.202 0.000 0.779 73 L N -0.827 120.476 121.223 0.134 0.000 2.610 73 L HA 0.019 4.358 4.340 -0.001 0.000 0.232 73 L C 2.381 179.277 176.870 0.044 0.000 1.149 73 L CA 0.598 55.492 54.840 0.091 0.000 0.872 73 L CB -0.593 41.501 42.059 0.059 0.000 0.992 73 L HN 0.010 nan 8.230 nan 0.000 0.447 74 K N 0.535 120.921 120.400 -0.023 0.000 2.057 74 K HA -0.145 4.174 4.320 -0.001 0.000 0.207 74 K C -0.010 176.429 176.600 -0.269 0.000 1.049 74 K CA 1.132 57.286 56.287 -0.222 0.000 0.931 74 K CB 0.069 32.312 32.500 -0.427 0.000 0.714 74 K HN 0.084 nan 8.250 nan 0.000 0.440 75 Y N 0.706 121.123 120.300 0.195 0.000 2.376 75 Y HA 0.265 4.815 4.550 -0.000 0.000 0.325 75 Y C 0.174 176.150 175.900 0.127 0.000 1.199 75 Y CA -1.018 57.186 58.100 0.173 0.000 1.206 75 Y CB 1.221 39.735 38.460 0.090 0.000 1.229 75 Y HN 0.278 nan 8.280 nan 0.000 0.480 76 N N -1.008 117.845 118.700 0.256 0.000 3.308 76 N HA 0.473 5.212 4.740 -0.001 0.000 0.276 76 N C 0.027 175.553 175.510 0.026 0.000 1.533 76 N CA -0.410 52.708 53.050 0.113 0.000 0.878 76 N CB 0.290 38.823 38.487 0.076 0.000 1.566 76 N HN 0.521 nan 8.380 nan 0.000 0.546 77 A N -1.084 121.654 122.820 -0.137 0.000 1.986 77 A HA -0.215 4.104 4.320 -0.001 0.000 0.220 77 A C 1.068 178.537 177.584 -0.190 0.000 1.171 77 A CA 1.587 53.483 52.037 -0.236 0.000 0.640 77 A CB -1.146 17.610 19.000 -0.407 0.000 0.811 77 A HN 0.700 nan 8.150 nan 0.000 0.451 78 H N -2.923 116.206 119.070 0.099 0.000 2.553 78 H HA 0.135 4.691 4.556 -0.001 0.000 0.265 78 H C -0.182 175.248 175.328 0.171 0.000 0.964 78 H CA 0.977 57.087 56.048 0.103 0.000 1.156 78 H CB 0.066 29.877 29.762 0.082 0.000 1.411 78 H HN 0.739 nan 8.280 nan 0.000 0.558 79 H N 0.539 119.690 119.070 0.134 0.000 2.852 79 H HA 0.304 4.860 4.556 -0.000 0.000 0.274 79 H C -0.801 174.635 175.328 0.179 0.000 1.321 79 H CA -0.485 55.646 56.048 0.139 0.000 1.582 79 H CB 0.266 30.106 29.762 0.131 0.000 1.699 79 H HN -0.058 nan 8.280 nan 0.000 0.546 80 K N 2.367 122.722 120.400 -0.075 0.000 2.098 80 K HA 0.309 4.628 4.320 -0.001 0.000 0.261 80 K C -0.684 175.785 176.600 -0.218 0.000 0.987 80 K CA -1.284 54.949 56.287 -0.090 0.000 0.916 80 K CB 1.742 34.183 32.500 -0.098 0.000 1.039 80 K HN 0.231 nan 8.250 nan 0.000 0.455 81 L N 2.568 123.580 121.223 -0.352 0.000 2.313 81 L HA 0.163 4.503 4.340 -0.001 0.000 0.282 81 L C -0.567 176.082 176.870 -0.367 0.000 1.092 81 L CA -0.039 54.521 54.840 -0.466 0.000 0.831 81 L CB 0.179 41.734 42.059 -0.841 0.000 1.159 81 L HN 0.338 nan 8.230 nan 0.000 0.442 82 K N 4.299 124.503 120.400 -0.326 0.000 2.234 82 K HA 0.525 4.845 4.320 -0.001 0.000 0.277 82 K C -1.511 174.760 176.600 -0.548 0.000 1.038 82 K CA -0.336 55.694 56.287 -0.429 0.000 0.888 82 K CB 0.949 33.241 32.500 -0.347 0.000 1.091 82 K HN 0.409 nan 8.250 nan 0.000 0.467 83 V N 6.047 125.515 119.914 -0.744 0.000 2.409 83 V HA 0.470 4.589 4.120 -0.001 0.000 0.291 83 V C -0.903 174.641 176.094 -0.918 0.000 1.020 83 V CA -0.723 61.090 62.300 -0.812 0.000 0.848 83 V CB 0.814 31.982 31.823 -1.091 0.000 0.990 83 V HN 0.571 nan 8.190 nan 0.000 0.430 84 F N 3.785 123.488 119.950 -0.412 0.000 2.361 84 F HA 0.493 5.019 4.527 -0.001 0.000 0.364 84 F C 0.207 175.824 175.800 -0.305 0.000 1.117 84 F CA -0.708 57.103 58.000 -0.315 0.000 1.071 84 F CB 1.689 40.573 39.000 -0.194 0.000 1.188 84 F HN 0.177 nan 8.300 nan 0.000 0.464 85 V N 5.097 124.969 119.914 -0.070 0.000 2.385 85 V HA 0.296 4.416 4.120 -0.001 0.000 0.269 85 V C -0.192 176.003 176.094 0.169 0.000 1.043 85 V CA -0.605 61.721 62.300 0.044 0.000 0.906 85 V CB 1.254 33.179 31.823 0.170 0.000 0.995 85 V HN 0.433 nan 8.190 nan 0.000 0.467 86 V N 8.437 128.399 119.914 0.080 0.000 2.293 86 V HA 0.320 4.440 4.120 -0.001 0.000 0.275 86 V C -2.367 173.764 176.094 0.061 0.000 1.021 86 V CA -1.910 60.403 62.300 0.022 0.000 0.815 86 V CB 1.465 33.205 31.823 -0.137 0.000 1.025 86 V HN 0.720 nan 8.190 nan 0.000 0.448 87 P HA 0.356 nan 4.420 nan 0.000 0.271 87 P C -0.878 176.426 177.300 0.006 0.000 1.216 87 P CA 0.220 63.297 63.100 -0.039 0.000 0.776 87 P CB 0.402 31.886 31.700 -0.361 0.000 0.881 88 H N -1.298 117.774 119.070 0.004 0.000 2.990 88 H HA 0.786 5.342 4.556 -0.001 0.000 0.336 88 H C -1.516 173.927 175.328 0.192 0.000 1.306 88 H CA -1.100 54.858 56.048 -0.149 0.000 1.118 88 H CB 0.930 30.561 29.762 -0.218 0.000 1.856 88 H HN 0.197 nan 8.280 nan 0.000 0.538 89 S N 0.705 116.436 115.700 0.052 0.000 2.750 89 S HA 0.208 4.677 4.470 -0.001 0.000 0.276 89 S C -1.859 172.673 174.600 -0.114 0.000 1.165 89 S CA -0.659 57.605 58.200 0.106 0.000 1.047 89 S CB 0.171 63.617 63.200 0.412 0.000 1.056 89 S HN 0.835 nan 8.310 nan 0.000 0.481 90 H N 4.421 123.390 119.070 -0.169 0.000 2.864 90 H HA 0.431 4.986 4.556 -0.001 0.000 0.281 90 H C -0.132 174.802 175.328 -0.657 0.000 1.093 90 H CA 0.246 56.109 56.048 -0.308 0.000 1.453 90 H CB 0.232 29.853 29.762 -0.235 0.000 1.462 90 H HN 0.559 nan 8.280 nan 0.000 0.480 91 N N 5.499 123.560 118.700 -1.065 0.000 2.564 91 N HA 0.053 4.793 4.740 -0.001 0.000 0.248 91 N C -1.168 173.919 175.510 -0.704 0.000 0.986 91 N CA -0.622 51.669 53.050 -1.265 0.000 0.921 91 N CB 0.997 39.025 38.487 -0.765 0.000 1.136 91 N HN 0.652 nan 8.380 nan 0.000 0.509 92 D N 2.613 122.647 120.400 -0.611 0.000 2.371 92 D HA 0.091 4.730 4.640 -0.001 0.000 0.256 92 D C -2.032 174.342 176.300 0.123 0.000 1.193 92 D CA -0.913 52.987 54.000 -0.165 0.000 0.881 92 D CB 1.307 42.258 40.800 0.251 0.000 1.143 92 D HN 0.218 nan 8.370 nan 0.000 0.473 93 P HA 0.193 nan 4.420 nan 0.000 0.231 93 P C 0.023 177.512 177.300 0.314 0.000 1.756 93 P CA -0.040 63.071 63.100 0.018 0.000 0.990 93 P CB 0.136 31.721 31.700 -0.192 0.000 1.973 94 G N 0.379 109.549 108.800 0.615 0.000 3.067 94 G HA2 0.010 3.970 3.960 -0.001 0.000 0.686 94 G HA3 0.010 3.970 3.960 -0.001 0.000 0.686 94 G C -1.067 174.356 174.900 0.871 0.000 1.119 94 G CA -0.626 44.858 45.100 0.640 0.000 0.790 94 G HN 0.348 nan 8.290 nan 0.000 0.605 95 W N 2.014 123.641 121.300 0.545 0.000 4.518 95 W HA 0.225 4.884 4.660 -0.001 0.000 0.160 95 W C 1.676 178.367 176.519 0.287 0.000 3.470 95 W CA 1.343 58.978 57.345 0.484 0.000 1.183 95 W CB -0.834 28.992 29.460 0.611 0.000 2.083 95 W HN 0.983 nan 8.180 nan 0.000 0.403 96 I N 0.696 121.297 120.570 0.051 0.000 3.968 96 I HA 0.312 4.482 4.170 -0.001 0.000 0.328 96 I C 0.364 176.365 176.117 -0.193 0.000 1.290 96 I CA 0.459 61.615 61.300 -0.240 0.000 1.163 96 I CB 0.050 37.772 38.000 -0.464 0.000 1.024 96 I HN -0.168 nan 8.210 nan 0.000 0.413 97 Q N 1.870 121.405 119.800 -0.441 0.000 2.496 97 Q HA 0.396 4.736 4.340 -0.001 0.000 0.286 97 Q C -0.201 175.554 176.000 -0.408 0.000 1.103 97 Q CA -0.335 55.136 55.803 -0.553 0.000 0.813 97 Q CB 2.191 30.286 28.738 -1.071 0.000 1.444 97 Q HN 0.351 nan 8.270 nan 0.000 0.443 98 T N -2.353 112.073 114.554 -0.213 0.000 2.766 98 T HA 0.175 4.524 4.350 -0.001 0.000 0.295 98 T C 1.087 175.888 174.700 0.169 0.000 1.024 98 T CA -0.468 61.592 62.100 -0.067 0.000 1.018 98 T CB 0.268 69.130 68.868 -0.009 0.000 1.002 98 T HN 0.515 nan 8.240 nan 0.000 0.532 99 F N 1.186 121.216 119.950 0.132 0.000 2.063 99 F HA -0.150 4.377 4.527 -0.001 0.000 0.298 99 F C 2.459 178.470 175.800 0.352 0.000 1.109 99 F CA 2.375 60.533 58.000 0.264 0.000 1.212 99 F CB -0.326 38.717 39.000 0.073 0.000 0.973 99 F HN 0.772 nan 8.300 nan 0.000 0.480 100 E N 0.341 120.792 120.200 0.420 0.000 2.152 100 E HA -0.163 4.187 4.350 -0.001 0.000 0.192 100 E C 1.998 178.750 176.600 0.253 0.000 0.983 100 E CA 1.614 58.217 56.400 0.338 0.000 0.818 100 E CB -0.256 29.626 29.700 0.304 0.000 0.758 100 E HN 0.612 nan 8.360 nan 0.000 0.467 101 E N -0.990 119.307 120.200 0.163 0.000 2.051 101 E HA -0.190 4.160 4.350 -0.001 0.000 0.192 101 E C 1.784 178.447 176.600 0.105 0.000 0.991 101 E CA 1.156 57.605 56.400 0.081 0.000 0.799 101 E CB -0.246 29.433 29.700 -0.036 0.000 0.748 101 E HN 0.335 nan 8.360 nan 0.000 0.449 102 Y N -0.519 119.837 120.300 0.092 0.000 2.224 102 Y HA -0.251 4.299 4.550 -0.001 0.000 0.289 102 Y C 2.183 178.093 175.900 0.018 0.000 1.146 102 Y CA 1.148 59.248 58.100 0.001 0.000 1.182 102 Y CB -0.728 37.782 38.460 0.082 0.000 0.983 102 Y HN 0.196 nan 8.280 nan 0.000 0.524 103 Y N 0.825 121.212 120.300 0.145 0.000 2.181 103 Y HA -0.275 4.275 4.550 -0.001 0.000 0.288 103 Y C 2.268 178.194 175.900 0.044 0.000 1.146 103 Y CA 1.863 59.984 58.100 0.035 0.000 1.164 103 Y CB -0.290 38.176 38.460 0.012 0.000 0.982 103 Y HN 0.053 nan 8.280 nan 0.000 0.515 104 Q N -1.056 118.762 119.800 0.030 0.000 2.123 104 Q HA -0.194 4.146 4.340 -0.001 0.000 0.199 104 Q C 2.276 178.292 176.000 0.026 0.000 0.966 104 Q CA 1.681 57.460 55.803 -0.039 0.000 0.845 104 Q CB -0.640 28.169 28.738 0.117 0.000 0.907 104 Q HN 0.667 nan 8.270 nan 0.000 0.439 105 H N -0.051 119.033 119.070 0.024 0.000 2.415 105 H HA -0.017 4.539 4.556 -0.001 0.000 0.297 105 H C 0.574 175.997 175.328 0.158 0.000 1.048 105 H CA 1.130 57.226 56.048 0.080 0.000 1.365 105 H CB 0.886 30.661 29.762 0.021 0.000 1.421 105 H HN 0.223 nan 8.280 nan 0.000 0.533 106 D N -1.391 119.088 120.400 0.132 0.000 3.208 106 D HA 0.013 4.652 4.640 -0.001 0.000 0.281 106 D C 1.798 178.137 176.300 0.066 0.000 1.328 106 D CA 0.391 54.460 54.000 0.115 0.000 1.102 106 D CB 0.077 40.884 40.800 0.012 0.000 1.267 106 D HN 0.158 nan 8.370 nan 0.000 0.405 107 T N 2.413 116.941 114.554 -0.044 0.000 2.821 107 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 107 T C 1.948 176.483 174.700 -0.275 0.000 1.046 107 T CA 1.399 63.441 62.100 -0.097 0.000 1.139 107 T CB -0.071 68.596 68.868 -0.335 0.000 0.871 107 T HN 0.243 nan 8.240 nan 0.000 0.454 108 K N 0.769 120.818 120.400 -0.586 0.000 2.148 108 K HA -0.150 4.170 4.320 -0.001 0.000 0.204 108 K C 1.938 178.262 176.600 -0.460 0.000 1.050 108 K CA 1.409 57.318 56.287 -0.630 0.000 0.942 108 K CB -0.366 31.543 32.500 -0.985 0.000 0.724 108 K HN 0.394 nan 8.250 nan 0.000 0.446 109 H N 1.040 120.013 119.070 -0.162 0.000 2.363 109 H HA 0.040 4.596 4.556 -0.001 0.000 0.301 109 H C 2.298 177.611 175.328 -0.024 0.000 1.074 109 H CA 1.453 57.459 56.048 -0.070 0.000 1.354 109 H CB -0.183 29.545 29.762 -0.056 0.000 1.397 109 H HN 0.194 nan 8.280 nan 0.000 0.516 110 I N 0.787 121.424 120.570 0.113 0.000 2.127 110 I HA -0.281 3.889 4.170 -0.001 0.000 0.241 110 I C 2.473 178.599 176.117 0.015 0.000 1.075 110 I CA 1.173 62.590 61.300 0.195 0.000 1.334 110 I CB -0.315 37.875 38.000 0.317 0.000 1.040 110 I HN 0.090 nan 8.210 nan 0.000 0.405 111 L N -0.329 120.688 121.223 -0.343 0.000 2.093 111 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 111 L C 2.678 179.202 176.870 -0.577 0.000 1.085 111 L CA 1.015 55.419 54.840 -0.725 0.000 0.755 111 L CB -0.499 40.586 42.059 -1.624 0.000 0.904 111 L HN 0.178 nan 8.230 nan 0.000 0.435 112 S N 0.082 115.559 115.700 -0.372 0.000 2.356 112 S HA -0.136 4.334 4.470 -0.001 0.000 0.223 112 S C 1.710 176.270 174.600 -0.067 0.000 1.032 112 S CA 1.361 59.573 58.200 0.021 0.000 1.005 112 S CB -0.260 63.006 63.200 0.111 0.000 0.867 112 S HN 0.458 nan 8.310 nan 0.000 0.449 113 N N 1.614 120.259 118.700 -0.092 0.000 2.354 113 N HA 0.127 4.867 4.740 -0.001 0.000 0.179 113 N C 1.709 176.845 175.510 -0.623 0.000 1.021 113 N CA 0.965 53.882 53.050 -0.221 0.000 0.887 113 N CB -0.535 37.929 38.487 -0.038 0.000 0.974 113 N HN 0.389 nan 8.380 nan 0.000 0.437 114 A N 1.100 123.626 122.820 -0.490 0.000 1.902 114 A HA -0.089 4.231 4.320 -0.001 0.000 0.217 114 A C 2.168 179.466 177.584 -0.478 0.000 1.181 114 A CA 0.914 52.504 52.037 -0.744 0.000 0.623 114 A CB -0.660 18.186 19.000 -0.255 0.000 0.818 114 A HN 0.220 nan 8.150 nan 0.000 0.443 115 L N 0.213 121.298 121.223 -0.230 0.000 2.017 115 L HA -0.149 4.191 4.340 -0.001 0.000 0.208 115 L C 2.465 179.260 176.870 -0.125 0.000 1.073 115 L CA 2.561 57.344 54.840 -0.095 0.000 0.745 115 L CB -0.703 41.366 42.059 0.017 0.000 0.894 115 L HN 0.518 nan 8.230 nan 0.000 0.432 116 R N -1.778 118.618 120.500 -0.174 0.000 2.066 116 R HA -0.235 4.105 4.340 -0.001 0.000 0.232 116 R C 2.399 178.602 176.300 -0.161 0.000 1.131 116 R CA 1.856 57.880 56.100 -0.128 0.000 0.955 116 R CB -0.569 29.662 30.300 -0.116 0.000 0.851 116 R HN 0.536 nan 8.270 nan 0.000 0.432 117 H N 0.205 118.985 119.070 -0.484 0.000 2.389 117 H HA 0.023 4.578 4.556 -0.001 0.000 0.299 117 H C 2.039 177.154 175.328 -0.355 0.000 1.081 117 H CA 1.903 57.647 56.048 -0.507 0.000 1.345 117 H CB 0.006 29.174 29.762 -0.991 0.000 1.393 117 H HN 0.146 nan 8.280 nan 0.000 0.520 118 L N -1.051 120.002 121.223 -0.283 0.000 2.056 118 L HA -0.164 4.175 4.340 -0.001 0.000 0.207 118 L C 2.431 179.258 176.870 -0.071 0.000 1.078 118 L CA 1.544 56.299 54.840 -0.143 0.000 0.749 118 L CB -0.520 41.480 42.059 -0.098 0.000 0.901 118 L HN 0.397 nan 8.230 nan 0.000 0.433 119 H N 0.343 119.333 119.070 -0.134 0.000 2.319 119 H HA -0.207 4.349 4.556 -0.001 0.000 0.299 119 H C 1.681 176.947 175.328 -0.103 0.000 1.092 119 H CA 2.107 58.102 56.048 -0.089 0.000 1.302 119 H CB 0.035 29.752 29.762 -0.075 0.000 1.373 119 H HN 0.223 nan 8.280 nan 0.000 0.497 120 D N -0.347 119.954 120.400 -0.165 0.000 2.317 120 D HA -0.018 4.622 4.640 -0.001 0.000 0.211 120 D C -0.163 176.001 176.300 -0.226 0.000 0.966 120 D CA 0.591 54.455 54.000 -0.227 0.000 0.876 120 D CB 0.041 40.731 40.800 -0.183 0.000 0.927 120 D HN 0.415 nan 8.370 nan 0.000 0.519 121 N N 0.609 119.181 118.700 -0.214 0.000 2.716 121 N HA 0.144 4.884 4.740 -0.001 0.000 0.253 121 N C -2.214 173.259 175.510 -0.061 0.000 1.170 121 N CA -1.044 51.922 53.050 -0.140 0.000 0.807 121 N CB 2.318 40.700 38.487 -0.176 0.000 1.183 121 N HN -0.112 nan 8.380 nan 0.000 0.524 122 P HA -0.087 nan 4.420 nan 0.000 0.221 122 P C 0.927 178.251 177.300 0.039 0.000 1.145 122 P CA 1.157 64.246 63.100 -0.018 0.000 0.795 122 P CB 0.541 32.225 31.700 -0.027 0.000 0.775 123 E N -1.626 118.627 120.200 0.088 0.000 2.442 123 E HA 0.059 4.409 4.350 -0.001 0.000 0.195 123 E C 0.818 177.565 176.600 0.246 0.000 1.030 123 E CA 0.065 56.567 56.400 0.171 0.000 0.869 123 E CB -0.331 29.500 29.700 0.219 0.000 0.857 123 E HN 0.258 nan 8.360 nan 0.000 0.505 124 M N 1.461 121.142 119.600 0.134 0.000 2.243 124 M HA 0.106 4.586 4.480 -0.001 0.000 0.341 124 M C -0.306 175.990 176.300 -0.006 0.000 1.130 124 M CA 0.246 55.529 55.300 -0.029 0.000 1.162 124 M CB 0.507 33.087 32.600 -0.034 0.000 1.497 124 M HN -0.362 nan 8.290 nan 0.000 0.456 125 K N 2.918 123.275 120.400 -0.072 0.000 2.444 125 K HA 0.651 4.970 4.320 -0.001 0.000 0.252 125 K C -1.774 174.868 176.600 0.070 0.000 0.993 125 K CA -0.496 55.805 56.287 0.024 0.000 0.847 125 K CB 2.238 34.777 32.500 0.065 0.000 1.340 125 K HN 0.674 nan 8.250 nan 0.000 0.446 126 F N 1.470 121.342 119.950 -0.130 0.000 2.654 126 F HA 0.421 4.947 4.527 -0.001 0.000 0.314 126 F C -1.475 174.227 175.800 -0.164 0.000 1.116 126 F CA -1.226 56.684 58.000 -0.151 0.000 1.017 126 F CB 0.981 39.968 39.000 -0.020 0.000 1.285 126 F HN 0.444 nan 8.300 nan 0.000 0.448 127 I N 1.922 122.162 120.570 -0.551 0.000 2.562 127 I HA 0.604 4.773 4.170 -0.001 0.000 0.301 127 I C -1.665 174.039 176.117 -0.688 0.000 1.003 127 I CA -0.609 60.337 61.300 -0.591 0.000 1.127 127 I CB 2.464 40.057 38.000 -0.679 0.000 1.304 127 I HN 0.690 nan 8.210 nan 0.000 0.446 128 W N 4.486 125.404 121.300 -0.637 0.000 2.839 128 W HA 0.636 5.295 4.660 -0.001 0.000 0.334 128 W C -0.707 175.735 176.519 -0.129 0.000 1.064 128 W CA -0.546 56.554 57.345 -0.408 0.000 1.236 128 W CB 2.686 31.962 29.460 -0.306 0.000 1.405 128 W HN 0.784 nan 8.180 nan 0.000 0.478 129 A N 3.368 125.838 122.820 -0.583 0.000 1.984 129 A HA 0.152 4.472 4.320 -0.001 0.000 0.203 129 A C -0.008 177.533 177.584 -0.072 0.000 1.292 129 A CA 0.491 52.413 52.037 -0.191 0.000 0.782 129 A CB -0.030 18.910 19.000 -0.100 0.000 0.924 129 A HN 0.516 nan 8.150 nan 0.000 0.475 130 E N 1.002 121.043 120.200 -0.266 0.000 2.001 130 E HA 0.303 4.653 4.350 -0.001 0.000 0.279 130 E C 0.418 177.174 176.600 0.260 0.000 1.045 130 E CA -0.264 56.146 56.400 0.016 0.000 0.833 130 E CB 0.759 30.467 29.700 0.013 0.000 1.077 130 E HN 0.283 nan 8.360 nan 0.000 0.397 131 I N 1.536 122.148 120.570 0.070 0.000 2.761 131 I HA -0.187 3.983 4.170 -0.001 0.000 0.261 131 I C 1.978 177.732 176.117 -0.605 0.000 1.198 131 I CA 0.876 62.142 61.300 -0.057 0.000 1.482 131 I CB -1.327 36.689 38.000 0.026 0.000 1.100 131 I HN 0.417 nan 8.210 nan 0.000 0.445 132 S N 1.186 116.220 115.700 -1.111 0.000 2.365 132 S HA -0.274 4.195 4.470 -0.001 0.000 0.225 132 S C 2.140 176.463 174.600 -0.462 0.000 1.039 132 S CA 1.367 58.585 58.200 -1.636 0.000 1.033 132 S CB -1.060 61.252 63.200 -1.481 0.000 0.887 132 S HN 0.368 nan 8.310 nan 0.000 0.447 133 Y N 0.577 120.897 120.300 0.034 0.000 2.200 133 Y HA 0.138 4.688 4.550 -0.001 0.000 0.290 133 Y C 2.215 178.185 175.900 0.118 0.000 1.137 133 Y CA 0.407 58.618 58.100 0.185 0.000 1.163 133 Y CB -0.878 37.795 38.460 0.355 0.000 0.988 133 Y HN 0.339 nan 8.280 nan 0.000 0.518 134 F N -0.004 120.029 119.950 0.139 0.000 2.146 134 F HA -0.149 4.378 4.527 -0.001 0.000 0.298 134 F C 2.336 178.002 175.800 -0.223 0.000 1.096 134 F CA 1.231 59.205 58.000 -0.043 0.000 1.275 134 F CB -0.438 38.531 39.000 -0.052 0.000 1.008 134 F HN -0.022 nan 8.300 nan 0.000 0.480 135 A N 0.165 122.658 122.820 -0.544 0.000 1.933 135 A HA -0.212 4.107 4.320 -0.001 0.000 0.218 135 A C 2.139 179.592 177.584 -0.219 0.000 1.175 135 A CA 1.741 53.282 52.037 -0.827 0.000 0.628 135 A CB -0.729 17.565 19.000 -1.177 0.000 0.814 135 A HN 0.381 nan 8.150 nan 0.000 0.444 136 R N -1.076 119.332 120.500 -0.152 0.000 2.096 136 R HA -0.117 4.222 4.340 -0.001 0.000 0.235 136 R C 1.700 177.953 176.300 -0.080 0.000 1.127 136 R CA 1.952 57.974 56.100 -0.129 0.000 0.968 136 R CB -0.806 29.368 30.300 -0.210 0.000 0.861 136 R HN 0.500 nan 8.270 nan 0.000 0.440 137 F N -0.462 119.419 119.950 -0.115 0.000 2.149 137 F HA -0.062 4.465 4.527 -0.001 0.000 0.294 137 F C 1.923 177.677 175.800 -0.077 0.000 1.095 137 F CA 1.369 59.366 58.000 -0.006 0.000 1.276 137 F CB -0.754 38.181 39.000 -0.109 0.000 1.023 137 F HN 0.119 nan 8.300 nan 0.000 0.480 138 Y N -0.138 120.006 120.300 -0.260 0.000 2.224 138 Y HA -0.261 4.289 4.550 -0.001 0.000 0.289 138 Y C 2.844 178.662 175.900 -0.136 0.000 1.146 138 Y CA 2.314 60.273 58.100 -0.235 0.000 1.182 138 Y CB -0.958 37.575 38.460 0.122 0.000 0.983 138 Y HN 0.268 nan 8.280 nan 0.000 0.524 139 H N -0.678 118.416 119.070 0.040 0.000 2.491 139 H HA -0.098 4.458 4.556 -0.001 0.000 0.290 139 H C 0.656 175.888 175.328 -0.160 0.000 1.050 139 H CA 1.496 57.544 56.048 -0.001 0.000 1.309 139 H CB 0.122 29.927 29.762 0.072 0.000 1.392 139 H HN 0.414 nan 8.280 nan 0.000 0.554 140 D N 0.253 120.530 120.400 -0.205 0.000 2.349 140 D HA 0.102 4.742 4.640 -0.001 0.000 0.215 140 D C 0.444 176.523 176.300 -0.369 0.000 1.016 140 D CA 0.034 53.888 54.000 -0.243 0.000 0.870 140 D CB 0.333 41.058 40.800 -0.125 0.000 0.917 140 D HN 0.281 nan 8.370 nan 0.000 0.524 141 L N 0.643 121.548 121.223 -0.531 0.000 2.397 141 L HA 0.312 4.651 4.340 -0.001 0.000 0.271 141 L C 1.396 178.031 176.870 -0.391 0.000 1.148 141 L CA -0.615 53.913 54.840 -0.519 0.000 0.825 141 L CB 0.897 42.572 42.059 -0.640 0.000 1.117 141 L HN -0.027 nan 8.230 nan 0.000 0.456 142 G N 0.970 109.602 108.800 -0.280 0.000 2.636 142 G HA2 0.005 3.964 3.960 -0.001 0.000 0.246 142 G HA3 0.005 3.964 3.960 -0.001 0.000 0.246 142 G C 0.659 175.437 174.900 -0.202 0.000 1.216 142 G CA -0.278 44.698 45.100 -0.207 0.000 0.854 142 G HN 0.810 nan 8.290 nan 0.000 0.572 143 E N 0.381 120.494 120.200 -0.145 0.000 2.118 143 E HA -0.187 4.163 4.350 -0.001 0.000 0.195 143 E C 2.167 178.719 176.600 -0.080 0.000 0.992 143 E CA 1.717 58.055 56.400 -0.105 0.000 0.804 143 E CB -0.235 29.430 29.700 -0.059 0.000 0.741 143 E HN 0.663 nan 8.360 nan 0.000 0.458 144 N N -0.252 118.401 118.700 -0.079 0.000 2.036 144 N HA -0.194 4.545 4.740 -0.001 0.000 0.195 144 N C 1.486 176.949 175.510 -0.079 0.000 1.037 144 N CA 1.828 54.837 53.050 -0.067 0.000 0.855 144 N CB 0.079 38.524 38.487 -0.070 0.000 1.033 144 N HN -0.031 nan 8.380 nan 0.000 0.423 145 K N 0.759 121.093 120.400 -0.110 0.000 2.097 145 K HA -0.054 4.265 4.320 -0.001 0.000 0.205 145 K C 1.895 178.449 176.600 -0.076 0.000 1.050 145 K CA 0.881 57.103 56.287 -0.110 0.000 0.938 145 K CB -0.233 32.179 32.500 -0.145 0.000 0.718 145 K HN 0.348 nan 8.250 nan 0.000 0.442 146 K N 0.927 121.247 120.400 -0.134 0.000 2.020 146 K HA -0.124 4.196 4.320 -0.001 0.000 0.212 146 K C 2.316 178.985 176.600 0.115 0.000 1.050 146 K CA 1.331 57.582 56.287 -0.059 0.000 0.929 146 K CB -0.316 32.075 32.500 -0.181 0.000 0.714 146 K HN 0.046 nan 8.250 nan 0.000 0.443 147 L N 1.150 122.408 121.223 0.059 0.000 2.017 147 L HA -0.250 4.089 4.340 -0.001 0.000 0.208 147 L C 2.665 179.584 176.870 0.081 0.000 1.073 147 L CA 1.378 56.266 54.840 0.079 0.000 0.745 147 L CB -0.468 41.615 42.059 0.041 0.000 0.894 147 L HN 0.288 nan 8.230 nan 0.000 0.432 148 Q N -0.899 118.921 119.800 0.034 0.000 2.096 148 Q HA -0.288 4.052 4.340 -0.001 0.000 0.204 148 Q C 2.221 178.283 176.000 0.104 0.000 0.982 148 Q CA 1.877 57.694 55.803 0.024 0.000 0.850 148 Q CB -0.241 28.433 28.738 -0.105 0.000 0.901 148 Q HN 0.382 nan 8.270 nan 0.000 0.422 149 M N 1.134 120.826 119.600 0.154 0.000 2.117 149 M HA -0.147 4.333 4.480 -0.001 0.000 0.262 149 M C 1.625 178.103 176.300 0.297 0.000 1.065 149 M CA 1.743 57.205 55.300 0.269 0.000 1.114 149 M CB 0.022 32.857 32.600 0.391 0.000 1.361 149 M HN -0.083 nan 8.290 nan 0.000 0.408 150 K N -1.034 119.534 120.400 0.282 0.000 2.103 150 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 150 K C 2.281 178.984 176.600 0.171 0.000 1.048 150 K CA 1.560 57.992 56.287 0.242 0.000 0.930 150 K CB -0.448 32.180 32.500 0.212 0.000 0.716 150 K HN 0.392 nan 8.250 nan 0.000 0.444 151 S N 1.560 117.347 115.700 0.144 0.000 2.356 151 S HA -0.116 4.353 4.470 -0.001 0.000 0.223 151 S C 1.975 176.640 174.600 0.108 0.000 1.032 151 S CA 1.335 59.604 58.200 0.114 0.000 1.005 151 S CB -0.267 63.001 63.200 0.113 0.000 0.867 151 S HN 0.396 nan 8.310 nan 0.000 0.449 152 I N -0.644 119.999 120.570 0.123 0.000 2.614 152 I HA 0.013 4.183 4.170 -0.001 0.000 0.258 152 I C 1.843 178.005 176.117 0.074 0.000 1.189 152 I CA 0.809 62.165 61.300 0.094 0.000 1.462 152 I CB -0.394 37.662 38.000 0.093 0.000 1.092 152 I HN 0.109 nan 8.210 nan 0.000 0.442 153 V N 1.465 121.443 119.914 0.108 0.000 2.346 153 V HA -0.182 3.937 4.120 -0.001 0.000 0.244 153 V C 2.696 178.838 176.094 0.079 0.000 1.037 153 V CA 1.978 64.333 62.300 0.092 0.000 1.029 153 V CB -0.730 31.215 31.823 0.203 0.000 0.663 153 V HN 0.422 nan 8.190 nan 0.000 0.454 154 K N 1.482 121.936 120.400 0.090 0.000 2.097 154 K HA -0.216 4.103 4.320 -0.001 0.000 0.206 154 K C 1.767 178.393 176.600 0.044 0.000 1.049 154 K CA 1.797 58.123 56.287 0.065 0.000 0.933 154 K CB -0.182 32.357 32.500 0.066 0.000 0.717 154 K HN 0.663 nan 8.250 nan 0.000 0.442 155 N N -0.669 118.057 118.700 0.043 0.000 2.398 155 N HA 0.006 4.745 4.740 -0.001 0.000 0.188 155 N C 0.802 176.324 175.510 0.020 0.000 1.122 155 N CA 1.041 54.108 53.050 0.030 0.000 0.866 155 N CB 0.544 39.050 38.487 0.032 0.000 0.970 155 N HN 0.306 nan 8.380 nan 0.000 0.462 156 G N -0.188 108.621 108.800 0.015 0.000 2.157 156 G HA2 -0.316 3.644 3.960 -0.001 0.000 0.248 156 G HA3 -0.316 3.644 3.960 -0.001 0.000 0.248 156 G C 0.759 175.654 174.900 -0.008 0.000 0.979 156 G CA 0.444 45.542 45.100 -0.004 0.000 0.650 156 G HN 0.451 nan 8.290 nan 0.000 0.529 157 Q N -1.329 118.474 119.800 0.005 0.000 2.123 157 Q HA 0.250 4.589 4.340 -0.001 0.000 0.196 157 Q C 1.129 177.130 176.000 0.002 0.000 0.958 157 Q CA 0.921 56.731 55.803 0.013 0.000 0.841 157 Q CB 0.229 28.981 28.738 0.023 0.000 0.915 157 Q HN 0.561 nan 8.270 nan 0.000 0.455 158 L N 1.275 122.481 121.223 -0.028 0.000 2.272 158 L HA 0.299 4.639 4.340 -0.001 0.000 0.289 158 L C -0.938 175.771 176.870 -0.268 0.000 1.032 158 L CA -0.041 54.734 54.840 -0.108 0.000 0.810 158 L CB 1.433 43.432 42.059 -0.099 0.000 1.205 158 L HN -0.070 nan 8.230 nan 0.000 0.422 159 E N 4.188 124.188 120.200 -0.333 0.000 2.210 159 E HA 0.367 4.717 4.350 -0.001 0.000 0.266 159 E C -1.504 174.843 176.600 -0.421 0.000 0.883 159 E CA -0.733 55.478 56.400 -0.314 0.000 0.761 159 E CB 1.023 30.614 29.700 -0.181 0.000 1.156 159 E HN 0.496 nan 8.360 nan 0.000 0.412 160 F N 3.144 123.056 119.950 -0.063 0.000 2.427 160 F HA 0.231 4.757 4.527 -0.001 0.000 0.352 160 F C 0.271 176.047 175.800 -0.041 0.000 1.100 160 F CA -0.530 57.444 58.000 -0.043 0.000 1.191 160 F CB 1.272 40.258 39.000 -0.023 0.000 1.128 160 F HN 0.182 nan 8.300 nan 0.000 0.533 161 V N 0.068 120.052 119.914 0.116 0.000 2.495 161 V HA 0.656 4.776 4.120 -0.001 0.000 0.298 161 V C 0.244 176.468 176.094 0.216 0.000 1.031 161 V CA -0.508 61.852 62.300 0.100 0.000 0.871 161 V CB 0.894 32.662 31.823 -0.092 0.000 0.988 161 V HN 0.981 nan 8.190 nan 0.000 0.432 162 T N 3.226 117.981 114.554 0.336 0.000 12.940 162 T HA -0.299 4.050 4.350 -0.001 0.000 0.419 162 T C 1.719 176.652 174.700 0.387 0.000 1.444 162 T CA 2.809 65.156 62.100 0.411 0.000 2.373 162 T CB -1.693 67.317 68.868 0.237 0.000 2.821 162 T HN 2.786 nan 8.240 nan 0.000 0.696 163 G N 1.885 110.849 108.800 0.272 0.000 2.137 163 G HA2 0.125 4.085 3.960 -0.001 0.000 0.237 163 G HA3 0.125 4.085 3.960 -0.001 0.000 0.237 163 G C 0.284 175.324 174.900 0.232 0.000 1.002 163 G CA 0.566 45.801 45.100 0.225 0.000 0.702 163 G HN 1.555 nan 8.290 nan 0.000 0.515 164 G N -1.645 107.290 108.800 0.225 0.000 2.572 164 G HA2 0.377 4.336 3.960 -0.001 0.000 0.261 164 G HA3 0.377 4.336 3.960 -0.001 0.000 0.261 164 G C 0.966 176.037 174.900 0.285 0.000 1.197 164 G CA 0.143 45.386 45.100 0.240 0.000 0.870 164 G HN 0.340 nan 8.290 nan 0.000 0.548 165 W N 0.494 121.835 121.300 0.068 0.000 2.342 165 W HA -0.044 4.616 4.660 -0.001 0.000 0.297 165 W C 0.662 177.209 176.519 0.046 0.000 1.213 165 W CA 1.893 59.263 57.345 0.042 0.000 1.251 165 W CB 0.252 29.718 29.460 0.010 0.000 1.136 165 W HN 0.404 nan 8.180 nan 0.000 0.526 166 V N -2.771 117.263 119.914 0.199 0.000 3.105 166 V HA 0.499 4.618 4.120 -0.001 0.000 0.311 166 V C -0.457 175.723 176.094 0.144 0.000 1.287 166 V CA -1.294 61.070 62.300 0.107 0.000 1.066 166 V CB 1.735 33.641 31.823 0.137 0.000 1.105 166 V HN -0.060 nan 8.190 nan 0.000 0.462 167 M N 3.895 123.608 119.600 0.187 0.000 2.152 167 M HA 0.522 5.002 4.480 -0.001 0.000 0.354 167 M C -2.707 173.744 176.300 0.252 0.000 1.173 167 M CA -1.885 53.539 55.300 0.208 0.000 1.110 167 M CB 1.474 34.216 32.600 0.237 0.000 1.366 167 M HN 0.633 nan 8.290 nan 0.000 0.415 168 P HA 0.133 nan 4.420 nan 0.000 0.274 168 P C -1.011 176.298 177.300 0.014 0.000 1.231 168 P CA -0.174 62.974 63.100 0.080 0.000 0.790 168 P CB 0.567 32.302 31.700 0.059 0.000 0.951 169 D N 0.648 121.019 120.400 -0.048 0.000 2.449 169 D HA -0.066 4.573 4.640 -0.001 0.000 0.236 169 D C 0.710 177.022 176.300 0.020 0.000 1.149 169 D CA 0.614 54.569 54.000 -0.075 0.000 0.878 169 D CB 0.471 41.232 40.800 -0.065 0.000 1.198 169 D HN 0.308 nan 8.370 nan 0.000 0.446 170 E N 1.446 121.703 120.200 0.094 0.000 2.511 170 E HA 0.181 4.530 4.350 -0.001 0.000 0.209 170 E C 0.900 177.673 176.600 0.287 0.000 0.986 170 E CA 0.059 56.581 56.400 0.202 0.000 0.974 170 E CB 0.665 30.501 29.700 0.227 0.000 1.030 170 E HN 0.476 nan 8.360 nan 0.000 0.490 171 A N 1.467 124.410 122.820 0.205 0.000 1.901 171 A HA 0.027 4.346 4.320 -0.001 0.000 0.210 171 A C 1.815 179.292 177.584 -0.178 0.000 1.208 171 A CA 0.572 52.503 52.037 -0.176 0.000 0.644 171 A CB 0.057 18.936 19.000 -0.201 0.000 0.863 171 A HN 0.025 nan 8.150 nan 0.000 0.454 172 N N 0.581 119.266 118.700 -0.024 0.000 2.356 172 N HA 0.019 4.758 4.740 -0.001 0.000 0.178 172 N C 0.399 175.902 175.510 -0.012 0.000 1.075 172 N CA 0.737 53.766 53.050 -0.035 0.000 0.889 172 N CB 0.125 38.634 38.487 0.038 0.000 0.999 172 N HN 0.496 nan 8.380 nan 0.000 0.464 173 S N 0.651 116.354 115.700 0.004 0.000 2.564 173 S HA 0.051 4.521 4.470 -0.001 0.000 0.278 173 S C 0.013 174.632 174.600 0.032 0.000 1.333 173 S CA -0.570 57.644 58.200 0.023 0.000 1.048 173 S CB 1.220 64.435 63.200 0.026 0.000 0.900 173 S HN 0.205 nan 8.310 nan 0.000 0.505 174 H N 3.217 122.265 119.070 -0.037 0.000 2.582 174 H HA 0.054 4.610 4.556 -0.001 0.000 0.345 174 H C 1.225 176.530 175.328 -0.039 0.000 1.104 174 H CA -0.294 55.720 56.048 -0.057 0.000 1.390 174 H CB 0.563 30.241 29.762 -0.141 0.000 1.461 174 H HN 1.027 nan 8.280 nan 0.000 0.551 175 W N 5.634 126.812 121.300 -0.203 0.000 2.350 175 W HA -0.164 4.496 4.660 -0.001 0.000 0.289 175 W C 1.093 177.667 176.519 0.092 0.000 1.215 175 W CA 0.388 57.698 57.345 -0.058 0.000 1.236 175 W CB -0.506 28.856 29.460 -0.163 0.000 1.130 175 W HN 0.534 nan 8.180 nan 0.000 0.541 176 R N 0.775 120.929 120.500 -0.576 0.000 2.120 176 R HA -0.124 4.215 4.340 -0.001 0.000 0.234 176 R C 1.989 178.132 176.300 -0.261 0.000 1.123 176 R CA 1.817 57.469 56.100 -0.746 0.000 0.975 176 R CB -0.365 29.423 30.300 -0.854 0.000 0.866 176 R HN 0.158 nan 8.270 nan 0.000 0.446 177 N N -0.246 118.383 118.700 -0.119 0.000 2.376 177 N HA -0.050 4.690 4.740 -0.001 0.000 0.177 177 N C 1.708 177.219 175.510 0.003 0.000 1.024 177 N CA 0.666 53.683 53.050 -0.055 0.000 0.893 177 N CB 0.065 38.536 38.487 -0.026 0.000 0.980 177 N HN -0.001 nan 8.380 nan 0.000 0.439 178 V N 1.511 121.452 119.914 0.044 0.000 2.343 178 V HA -0.168 3.952 4.120 -0.001 0.000 0.247 178 V C 2.334 178.469 176.094 0.069 0.000 1.051 178 V CA 1.058 63.400 62.300 0.070 0.000 1.036 178 V CB -0.467 31.417 31.823 0.101 0.000 0.654 178 V HN 0.187 nan 8.190 nan 0.000 0.451 179 L N -0.250 121.024 121.223 0.084 0.000 2.056 179 L HA -0.103 4.237 4.340 -0.001 0.000 0.207 179 L C 2.170 179.046 176.870 0.011 0.000 1.078 179 L CA 1.795 56.677 54.840 0.070 0.000 0.749 179 L CB -0.671 41.465 42.059 0.128 0.000 0.901 179 L HN 0.286 nan 8.230 nan 0.000 0.433 180 L N -0.021 121.188 121.223 -0.024 0.000 2.012 180 L HA -0.254 4.086 4.340 -0.001 0.000 0.210 180 L C 2.592 179.448 176.870 -0.025 0.000 1.073 180 L CA 2.360 57.174 54.840 -0.045 0.000 0.748 180 L CB -0.795 41.218 42.059 -0.077 0.000 0.891 180 L HN 0.676 nan 8.230 nan 0.000 0.431 181 Q N -0.892 118.915 119.800 0.012 0.000 2.119 181 Q HA -0.204 4.136 4.340 -0.001 0.000 0.201 181 Q C 2.035 178.113 176.000 0.129 0.000 0.972 181 Q CA 2.087 57.932 55.803 0.069 0.000 0.847 181 Q CB -1.192 27.622 28.738 0.128 0.000 0.903 181 Q HN 0.472 nan 8.270 nan 0.000 0.433 182 L N 0.822 122.107 121.223 0.103 0.000 2.046 182 L HA -0.107 4.232 4.340 -0.001 0.000 0.208 182 L C 1.948 178.894 176.870 0.126 0.000 1.077 182 L CA 2.458 57.373 54.840 0.125 0.000 0.747 182 L CB -0.998 41.112 42.059 0.085 0.000 0.896 182 L HN 0.347 nan 8.230 nan 0.000 0.432 183 T N -1.087 113.509 114.554 0.069 0.000 2.821 183 T HA -0.160 4.190 4.350 -0.001 0.000 0.267 183 T C 1.717 176.463 174.700 0.076 0.000 1.046 183 T CA 1.332 63.464 62.100 0.054 0.000 1.139 183 T CB -0.117 68.750 68.868 -0.000 0.000 0.871 183 T HN 0.313 nan 8.240 nan 0.000 0.454 184 E N 1.035 121.256 120.200 0.034 0.000 2.051 184 E HA -0.034 4.315 4.350 -0.001 0.000 0.192 184 E C 2.343 179.066 176.600 0.205 0.000 0.991 184 E CA 1.524 57.900 56.400 -0.040 0.000 0.799 184 E CB -0.855 28.628 29.700 -0.363 0.000 0.748 184 E HN 0.440 nan 8.360 nan 0.000 0.449 185 G N -0.079 108.945 108.800 0.373 0.000 2.402 185 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.216 185 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.216 185 G C 1.494 176.612 174.900 0.363 0.000 1.162 185 G CA 0.666 46.068 45.100 0.504 0.000 0.777 185 G HN 0.260 nan 8.290 nan 0.000 0.539 186 Q N -0.171 119.779 119.800 0.249 0.000 2.172 186 Q HA -0.060 4.280 4.340 -0.001 0.000 0.200 186 Q C 2.806 178.901 176.000 0.158 0.000 0.964 186 Q CA 1.436 57.347 55.803 0.181 0.000 0.855 186 Q CB -0.212 28.614 28.738 0.148 0.000 0.918 186 Q HN 0.412 nan 8.270 nan 0.000 0.444 187 T N 0.189 114.845 114.554 0.170 0.000 2.746 187 T HA -0.188 4.161 4.350 -0.001 0.000 0.267 187 T C 1.090 175.879 174.700 0.148 0.000 1.039 187 T CA 1.093 63.266 62.100 0.123 0.000 1.142 187 T CB -0.382 68.552 68.868 0.110 0.000 0.866 187 T HN 0.470 nan 8.240 nan 0.000 0.444 188 W N 1.574 122.960 121.300 0.143 0.000 2.335 188 W HA -0.060 4.600 4.660 -0.001 0.000 0.311 188 W C 1.811 178.439 176.519 0.181 0.000 1.213 188 W CA 0.982 58.487 57.345 0.267 0.000 1.274 188 W CB -0.434 29.254 29.460 0.380 0.000 1.148 188 W HN 0.149 nan 8.180 nan 0.000 0.498 189 L N 0.518 121.948 121.223 0.344 0.000 2.083 189 L HA -0.225 4.115 4.340 -0.001 0.000 0.209 189 L C 2.600 179.409 176.870 -0.101 0.000 1.083 189 L CA 1.765 56.648 54.840 0.071 0.000 0.752 189 L CB -0.913 41.127 42.059 -0.032 0.000 0.899 189 L HN -0.023 nan 8.230 nan 0.000 0.433 190 K N 0.031 120.386 120.400 -0.076 0.000 2.057 190 K HA -0.263 4.057 4.320 -0.001 0.000 0.207 190 K C 2.194 178.654 176.600 -0.234 0.000 1.049 190 K CA 1.621 57.838 56.287 -0.116 0.000 0.931 190 K CB -0.023 32.432 32.500 -0.074 0.000 0.714 190 K HN 0.256 nan 8.250 nan 0.000 0.440 191 Q N -0.827 118.750 119.800 -0.372 0.000 2.046 191 Q HA -0.140 4.200 4.340 -0.001 0.000 0.200 191 Q C 1.532 177.017 176.000 -0.858 0.000 0.975 191 Q CA 1.690 57.099 55.803 -0.655 0.000 0.836 191 Q CB 0.045 28.243 28.738 -0.899 0.000 0.896 191 Q HN 0.302 nan 8.270 nan 0.000 0.428 192 F N -1.289 118.277 119.950 -0.640 0.000 2.505 192 F HA 0.108 4.634 4.527 -0.001 0.000 0.289 192 F C 1.671 177.203 175.800 -0.447 0.000 1.101 192 F CA 0.334 57.895 58.000 -0.733 0.000 1.446 192 F CB 0.371 38.451 39.000 -1.534 0.000 1.123 192 F HN 0.104 nan 8.300 nan 0.000 0.564 193 M N -0.981 118.504 119.600 -0.192 0.000 2.308 193 M HA 0.229 4.709 4.480 -0.001 0.000 0.269 193 M C 0.292 176.593 176.300 0.002 0.000 1.040 193 M CA 0.161 55.458 55.300 -0.004 0.000 1.024 193 M CB -1.105 31.538 32.600 0.072 0.000 1.465 193 M HN 0.100 nan 8.290 nan 0.000 0.517 194 N N 2.083 120.741 118.700 -0.069 0.000 2.727 194 N HA -0.134 4.605 4.740 -0.001 0.000 0.249 194 N C -0.991 174.510 175.510 -0.015 0.000 1.048 194 N CA 0.726 53.746 53.050 -0.051 0.000 0.714 194 N CB -0.952 37.516 38.487 -0.032 0.000 0.959 194 N HN 0.381 nan 8.380 nan 0.000 0.544 195 V N -3.757 116.151 119.914 -0.011 0.000 3.049 195 V HA 0.868 4.988 4.120 -0.001 0.000 0.309 195 V C 0.061 176.149 176.094 -0.011 0.000 1.148 195 V CA -0.511 61.797 62.300 0.014 0.000 0.990 195 V CB 2.330 34.210 31.823 0.094 0.000 1.039 195 V HN 0.057 nan 8.190 nan 0.000 0.430 196 T N 4.064 118.601 114.554 -0.029 0.000 2.930 196 T HA 0.578 4.928 4.350 -0.001 0.000 0.313 196 T C -2.741 171.884 174.700 -0.126 0.000 1.019 196 T CA -0.777 61.285 62.100 -0.062 0.000 1.004 196 T CB 1.404 70.225 68.868 -0.078 0.000 0.987 196 T HN 0.763 nan 8.240 nan 0.000 0.456 197 P HA 0.177 nan 4.420 nan 0.000 0.266 197 P C 0.816 177.739 177.300 -0.629 0.000 1.195 197 P CA -0.176 62.811 63.100 -0.189 0.000 0.768 197 P CB 0.525 32.228 31.700 0.006 0.000 0.838 198 T N -1.747 112.491 114.554 -0.526 0.000 3.084 198 T HA 0.547 4.897 4.350 -0.001 0.000 0.270 198 T C 0.329 174.843 174.700 -0.311 0.000 1.008 198 T CA -0.302 61.361 62.100 -0.727 0.000 0.900 198 T CB 0.126 68.778 68.868 -0.360 0.000 1.084 198 T HN 0.415 nan 8.240 nan 0.000 0.538 199 A N 0.880 123.679 122.820 -0.035 0.000 2.343 199 A HA 0.805 5.124 4.320 -0.001 0.000 0.316 199 A C -0.159 177.693 177.584 0.446 0.000 1.104 199 A CA -0.706 51.466 52.037 0.226 0.000 0.768 199 A CB 1.823 20.969 19.000 0.242 0.000 1.213 199 A HN 0.269 nan 8.150 nan 0.000 0.456 200 S N 2.157 118.112 115.700 0.425 0.000 2.549 200 S HA 0.697 5.166 4.470 -0.001 0.000 0.297 200 S C -1.136 173.660 174.600 0.325 0.000 1.115 200 S CA -0.438 57.952 58.200 0.318 0.000 1.059 200 S CB 0.838 64.058 63.200 0.034 0.000 1.046 200 S HN 0.855 nan 8.310 nan 0.000 0.506 201 W N 4.457 125.775 121.300 0.030 0.000 2.543 201 W HA 0.631 5.290 4.660 -0.001 0.000 0.318 201 W C -1.535 174.936 176.519 -0.080 0.000 1.002 201 W CA -0.824 56.492 57.345 -0.048 0.000 1.302 201 W CB 1.121 30.525 29.460 -0.093 0.000 1.299 201 W HN 0.799 nan 8.180 nan 0.000 0.424 202 A N 7.911 130.590 122.820 -0.236 0.000 2.709 202 A HA 0.303 4.623 4.320 -0.001 0.000 0.332 202 A C 0.317 177.654 177.584 -0.412 0.000 1.241 202 A CA -0.495 51.403 52.037 -0.231 0.000 0.782 202 A CB -0.273 18.715 19.000 -0.019 0.000 1.109 202 A HN 0.712 nan 8.150 nan 0.000 0.472 203 I N -2.491 117.653 120.570 -0.709 0.000 3.603 203 I HA 0.278 4.448 4.170 -0.001 0.000 0.297 203 I C 0.796 176.578 176.117 -0.557 0.000 1.269 203 I CA 0.864 61.696 61.300 -0.779 0.000 1.361 203 I CB 0.415 37.680 38.000 -1.225 0.000 1.063 203 I HN 0.349 nan 8.210 nan 0.000 0.448 204 D N 0.345 120.380 120.400 -0.608 0.000 2.480 204 D HA 0.252 4.891 4.640 -0.001 0.000 0.243 204 D C -2.237 173.632 176.300 -0.719 0.000 1.120 204 D CA -0.729 52.916 54.000 -0.592 0.000 0.835 204 D CB 0.170 40.541 40.800 -0.714 0.000 1.204 204 D HN 0.188 nan 8.370 nan 0.000 0.513 205 P HA 0.089 nan 4.420 nan 0.000 0.269 205 P C -0.533 176.332 177.300 -0.726 0.000 1.215 205 P CA -0.064 62.509 63.100 -0.878 0.000 0.780 205 P CB 0.222 31.575 31.700 -0.578 0.000 0.898 206 F N 1.800 121.521 119.950 -0.380 0.000 2.573 206 F HA 0.552 5.078 4.527 -0.001 0.000 0.349 206 F C 1.396 177.130 175.800 -0.110 0.000 1.213 206 F CA -0.643 57.095 58.000 -0.436 0.000 1.300 206 F CB -1.092 37.778 39.000 -0.217 0.000 1.661 206 F HN 0.506 nan 8.300 nan 0.000 0.616 207 G N 1.173 109.735 108.800 -0.397 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 -1.504 173.044 174.900 -0.586 0.000 1.232 207 G CA -1.173 43.778 45.100 -0.248 0.000 0.803 207 G HN 0.584 nan 8.290 nan 0.000 0.638 208 H N -0.518 118.264 119.070 -0.482 0.000 2.717 208 H HA 0.752 5.307 4.556 -0.001 0.000 0.366 208 H C -0.370 174.870 175.328 -0.146 0.000 1.132 208 H CA 0.016 55.974 56.048 -0.150 0.000 1.180 208 H CB 2.069 31.890 29.762 0.098 0.000 1.678 208 H HN 0.677 nan 8.280 nan 0.000 0.537 209 S N 2.304 118.160 115.700 0.260 0.000 2.501 209 S HA 0.262 4.732 4.470 -0.001 0.000 0.301 209 S C -1.825 172.810 174.600 0.059 0.000 1.096 209 S CA -1.816 56.541 58.200 0.262 0.000 1.063 209 S CB 1.341 64.727 63.200 0.311 0.000 1.042 209 S HN 0.438 nan 8.310 nan 0.000 0.494 210 P HA 0.020 nan 4.420 nan 0.000 0.234 210 P C 1.108 178.160 177.300 -0.414 0.000 1.167 210 P CA 0.717 63.441 63.100 -0.625 0.000 0.763 210 P CB -0.255 31.233 31.700 -0.354 0.000 0.835 211 T N -0.284 114.157 114.554 -0.188 0.000 2.803 211 T HA -0.153 4.197 4.350 -0.001 0.000 0.269 211 T C 1.747 176.396 174.700 -0.086 0.000 1.052 211 T CA 1.389 63.414 62.100 -0.126 0.000 1.136 211 T CB -0.507 68.324 68.868 -0.063 0.000 0.864 211 T HN 0.036 nan 8.240 nan 0.000 0.467 212 M N 1.882 121.398 119.600 -0.140 0.000 2.059 212 M HA -0.009 4.471 4.480 -0.001 0.000 0.259 212 M C -1.039 175.125 176.300 -0.228 0.000 1.072 212 M CA 1.585 56.797 55.300 -0.146 0.000 1.117 212 M CB -1.002 31.542 32.600 -0.094 0.000 1.320 212 M HN 0.036 nan 8.290 nan 0.000 0.408 213 P HA -0.212 nan 4.420 nan 0.000 0.218 213 P C 1.416 178.586 177.300 -0.216 0.000 1.148 213 P CA 1.502 64.404 63.100 -0.329 0.000 0.822 213 P CB -0.542 30.857 31.700 -0.502 0.000 0.784 214 Y N 1.066 121.177 120.300 -0.316 0.000 2.097 214 Y HA -0.211 4.339 4.550 -0.001 0.000 0.282 214 Y C 2.428 178.240 175.900 -0.146 0.000 1.152 214 Y CA 1.741 59.717 58.100 -0.206 0.000 1.136 214 Y CB -0.951 37.401 38.460 -0.179 0.000 0.975 214 Y HN -0.234 nan 8.280 nan 0.000 0.498 215 I N -0.469 120.125 120.570 0.040 0.000 2.286 215 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 215 I C 2.265 178.315 176.117 -0.112 0.000 1.104 215 I CA 1.083 62.374 61.300 -0.015 0.000 1.397 215 I CB -0.389 37.657 38.000 0.076 0.000 1.072 215 I HN 0.266 nan 8.210 nan 0.000 0.417 216 L N 0.107 121.213 121.223 -0.196 0.000 2.046 216 L HA -0.230 4.110 4.340 -0.001 0.000 0.208 216 L C 2.706 179.555 176.870 -0.035 0.000 1.077 216 L CA 1.226 55.885 54.840 -0.302 0.000 0.747 216 L CB -0.733 40.966 42.059 -0.600 0.000 0.896 216 L HN 0.342 nan 8.230 nan 0.000 0.432 217 Q N 1.178 120.928 119.800 -0.085 0.000 2.170 217 Q HA -0.208 4.131 4.340 -0.001 0.000 0.203 217 Q C 1.719 177.682 176.000 -0.062 0.000 0.976 217 Q CA 1.575 57.349 55.803 -0.048 0.000 0.858 217 Q CB 0.078 28.756 28.738 -0.100 0.000 0.907 217 Q HN 0.473 nan 8.270 nan 0.000 0.433 218 K N -0.462 119.861 120.400 -0.127 0.000 2.444 218 K HA 0.104 4.423 4.320 -0.001 0.000 0.193 218 K C 0.778 177.347 176.600 -0.053 0.000 1.024 218 K CA 0.161 56.370 56.287 -0.130 0.000 1.077 218 K CB 0.478 32.837 32.500 -0.235 0.000 0.833 218 K HN -0.065 nan 8.250 nan 0.000 0.517 219 S N -0.218 115.502 115.700 0.035 0.000 2.664 219 S HA 0.202 4.672 4.470 -0.001 0.000 0.245 219 S C 0.832 175.538 174.600 0.177 0.000 1.019 219 S CA 0.132 58.401 58.200 0.116 0.000 0.996 219 S CB 1.239 64.547 63.200 0.181 0.000 0.878 219 S HN 0.537 nan 8.310 nan 0.000 0.493 220 G N 1.188 110.045 108.800 0.095 0.000 2.175 220 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.244 220 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.244 220 G C -0.007 174.876 174.900 -0.029 0.000 0.982 220 G CA -0.444 44.655 45.100 -0.002 0.000 0.641 220 G HN 0.432 nan 8.290 nan 0.000 0.527 221 F N 0.506 120.418 119.950 -0.064 0.000 2.450 221 F HA 0.574 5.100 4.527 -0.001 0.000 0.339 221 F C 1.620 177.364 175.800 -0.093 0.000 1.146 221 F CA 0.068 58.026 58.000 -0.069 0.000 1.267 221 F CB 0.901 39.864 39.000 -0.063 0.000 1.178 221 F HN -0.186 nan 8.300 nan 0.000 0.585 222 K N 0.691 121.112 120.400 0.035 0.000 2.425 222 K HA 0.253 4.572 4.320 -0.001 0.000 0.201 222 K C -0.386 176.158 176.600 -0.092 0.000 1.128 222 K CA 0.265 56.516 56.287 -0.061 0.000 1.000 222 K CB 0.347 32.763 32.500 -0.139 0.000 0.961 222 K HN 0.534 nan 8.250 nan 0.000 0.555 223 N N 0.769 119.395 118.700 -0.124 0.000 2.484 223 N HA 0.393 5.133 4.740 -0.001 0.000 0.269 223 N C -0.961 174.402 175.510 -0.245 0.000 1.237 223 N CA -0.416 52.399 53.050 -0.392 0.000 0.838 223 N CB 2.528 40.216 38.487 -1.332 0.000 1.593 223 N HN -0.077 nan 8.380 nan 0.000 0.485 224 M N -0.336 119.132 119.600 -0.219 0.000 2.520 224 M HA 0.619 5.099 4.480 -0.001 0.000 0.283 224 M C -2.000 174.365 176.300 0.109 0.000 1.237 224 M CA -0.928 54.369 55.300 -0.005 0.000 0.885 224 M CB 2.881 35.469 32.600 -0.020 0.000 1.727 224 M HN 0.476 nan 8.290 nan 0.000 0.468 225 L N 3.941 125.250 121.223 0.142 0.000 2.386 225 L HA 0.878 5.217 4.340 -0.001 0.000 0.271 225 L C -1.420 175.341 176.870 -0.183 0.000 0.993 225 L CA -0.747 54.140 54.840 0.077 0.000 0.819 225 L CB 1.973 44.127 42.059 0.158 0.000 1.294 225 L HN 0.948 nan 8.230 nan 0.000 0.414 226 I N 0.958 121.333 120.570 -0.325 0.000 3.042 226 I HA 0.608 4.777 4.170 -0.001 0.000 0.310 226 I C -0.757 175.068 176.117 -0.486 0.000 1.117 226 I CA -0.578 60.343 61.300 -0.632 0.000 1.003 226 I CB 2.269 39.611 38.000 -1.096 0.000 1.228 226 I HN 0.729 nan 8.210 nan 0.000 0.443 227 Q N 1.992 121.567 119.800 -0.376 0.000 2.506 227 Q HA 0.334 4.673 4.340 -0.001 0.000 0.239 227 Q C 0.023 175.930 176.000 -0.155 0.000 0.782 227 Q CA 0.405 56.068 55.803 -0.233 0.000 0.972 227 Q CB 0.630 29.222 28.738 -0.244 0.000 1.304 227 Q HN 0.661 nan 8.270 nan 0.000 0.534 228 R N 2.063 122.500 120.500 -0.106 0.000 2.608 228 R HA 0.334 4.674 4.340 -0.001 0.000 0.277 228 R C -0.702 175.377 176.300 -0.368 0.000 1.341 228 R CA 0.566 56.359 56.100 -0.513 0.000 1.199 228 R CB 0.244 29.899 30.300 -1.076 0.000 1.156 228 R HN 0.389 nan 8.270 nan 0.000 0.558 229 T N -2.454 112.094 114.554 -0.009 0.000 2.924 229 T HA 0.145 4.495 4.350 -0.001 0.000 0.291 229 T C 0.009 174.971 174.700 0.437 0.000 1.045 229 T CA -0.887 61.328 62.100 0.192 0.000 1.015 229 T CB 1.786 70.611 68.868 -0.073 0.000 1.103 229 T HN 0.406 nan 8.240 nan 0.000 0.496 230 H N 1.840 121.127 119.070 0.362 0.000 3.064 230 H HA -0.041 4.515 4.556 -0.001 0.000 0.329 230 H C 1.046 176.432 175.328 0.097 0.000 1.020 230 H CA 0.509 56.664 56.048 0.179 0.000 1.402 230 H CB 0.353 30.247 29.762 0.221 0.000 1.379 230 H HN 0.928 nan 8.280 nan 0.000 0.594 231 Y N 2.280 122.673 120.300 0.154 0.000 2.315 231 Y HA -0.162 4.387 4.550 -0.001 0.000 0.288 231 Y C 2.163 178.231 175.900 0.281 0.000 1.154 231 Y CA 0.954 59.180 58.100 0.210 0.000 1.229 231 Y CB -0.598 37.923 38.460 0.102 0.000 0.980 231 Y HN 0.289 nan 8.280 nan 0.000 0.540 232 S N 0.318 116.052 115.700 0.057 0.000 2.406 232 S HA -0.112 4.357 4.470 -0.001 0.000 0.228 232 S C 2.088 176.616 174.600 -0.120 0.000 1.020 232 S CA 1.125 59.260 58.200 -0.108 0.000 0.965 232 S CB -0.543 62.370 63.200 -0.478 0.000 0.798 232 S HN 0.371 nan 8.310 nan 0.000 0.488 233 V N 2.045 121.949 119.914 -0.017 0.000 2.307 233 V HA -0.184 3.936 4.120 -0.001 0.000 0.245 233 V C 2.259 178.393 176.094 0.068 0.000 1.045 233 V CA 1.616 63.936 62.300 0.034 0.000 1.024 233 V CB -0.524 31.424 31.823 0.209 0.000 0.651 233 V HN 0.411 nan 8.190 nan 0.000 0.449 234 K N 0.122 120.603 120.400 0.135 0.000 2.044 234 K HA -0.270 4.050 4.320 -0.001 0.000 0.210 234 K C 2.279 179.006 176.600 0.213 0.000 1.049 234 K CA 1.973 58.355 56.287 0.157 0.000 0.927 234 K CB -0.267 32.380 32.500 0.246 0.000 0.713 234 K HN 0.352 nan 8.250 nan 0.000 0.443 235 K N 1.134 121.662 120.400 0.214 0.000 2.057 235 K HA -0.240 4.079 4.320 -0.001 0.000 0.207 235 K C 2.141 178.831 176.600 0.151 0.000 1.049 235 K CA 1.784 58.203 56.287 0.220 0.000 0.931 235 K CB 0.030 32.590 32.500 0.100 0.000 0.714 235 K HN -0.010 nan 8.250 nan 0.000 0.440 236 E N 0.821 121.034 120.200 0.022 0.000 2.051 236 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 236 E C 1.924 178.516 176.600 -0.013 0.000 0.991 236 E CA 1.409 57.780 56.400 -0.048 0.000 0.799 236 E CB -0.177 29.448 29.700 -0.126 0.000 0.748 236 E HN 0.348 nan 8.360 nan 0.000 0.449 237 L N -0.188 121.039 121.223 0.006 0.000 2.093 237 L HA -0.068 4.272 4.340 -0.001 0.000 0.208 237 L C 2.516 179.406 176.870 0.033 0.000 1.085 237 L CA 0.955 55.792 54.840 -0.005 0.000 0.755 237 L CB -0.595 41.446 42.059 -0.030 0.000 0.904 237 L HN 0.207 nan 8.230 nan 0.000 0.435 238 A N -0.277 122.615 122.820 0.120 0.000 1.902 238 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 238 A C 2.215 179.985 177.584 0.310 0.000 1.181 238 A CA 1.445 53.610 52.037 0.213 0.000 0.623 238 A CB -0.462 18.808 19.000 0.450 0.000 0.818 238 A HN 0.453 nan 8.150 nan 0.000 0.443 239 Q N -0.949 118.982 119.800 0.218 0.000 2.234 239 Q HA -0.156 4.184 4.340 -0.001 0.000 0.206 239 Q C 1.273 177.259 176.000 -0.023 0.000 0.980 239 Q CA 1.295 57.066 55.803 -0.054 0.000 0.869 239 Q CB -0.011 28.559 28.738 -0.280 0.000 0.912 239 Q HN 0.608 nan 8.270 nan 0.000 0.436 240 Q N -0.339 119.463 119.800 0.003 0.000 2.219 240 Q HA 0.155 4.495 4.340 -0.001 0.000 0.209 240 Q C -0.433 175.582 176.000 0.025 0.000 0.854 240 Q CA -0.069 55.733 55.803 -0.003 0.000 0.960 240 Q CB 0.749 29.474 28.738 -0.020 0.000 1.116 240 Q HN 0.258 nan 8.270 nan 0.000 0.500 241 R N 0.962 121.483 120.500 0.035 0.000 3.251 241 R HA -0.211 4.128 4.340 -0.001 0.000 0.249 241 R C -0.117 176.212 176.300 0.048 0.000 0.949 241 R CA 0.481 56.591 56.100 0.018 0.000 0.645 241 R CB -1.688 28.649 30.300 0.061 0.000 1.065 241 R HN 0.378 nan 8.270 nan 0.000 0.452 242 Q N -0.017 119.800 119.800 0.028 0.000 2.165 242 Q HA 0.181 4.521 4.340 -0.001 0.000 0.245 242 Q C 1.110 177.182 176.000 0.119 0.000 0.841 242 Q CA -0.240 55.613 55.803 0.084 0.000 1.078 242 Q CB 0.570 29.323 28.738 0.026 0.000 1.169 242 Q HN 0.441 nan 8.270 nan 0.000 0.475 243 L N 0.116 121.341 121.223 0.004 0.000 2.395 243 L HA 0.034 4.373 4.340 -0.001 0.000 0.218 243 L C 0.341 177.196 176.870 -0.026 0.000 1.130 243 L CA 0.975 55.792 54.840 -0.038 0.000 0.826 243 L CB 0.269 42.119 42.059 -0.349 0.000 0.941 243 L HN 0.188 nan 8.230 nan 0.000 0.451 244 E N 0.136 120.358 120.200 0.038 0.000 2.171 244 E HA 0.537 4.887 4.350 -0.001 0.000 0.271 244 E C -1.215 175.284 176.600 -0.167 0.000 0.916 244 E CA -0.550 55.675 56.400 -0.291 0.000 0.774 244 E CB 1.593 31.245 29.700 -0.081 0.000 1.128 244 E HN -0.002 nan 8.360 nan 0.000 0.403 245 F N -0.375 119.299 119.950 -0.460 0.000 2.686 245 F HA 0.465 4.991 4.527 -0.001 0.000 0.311 245 F C -1.525 174.156 175.800 -0.199 0.000 1.128 245 F CA -1.389 56.496 58.000 -0.192 0.000 0.946 245 F CB 0.765 39.690 39.000 -0.125 0.000 1.336 245 F HN 0.157 nan 8.300 nan 0.000 0.457 246 L N 2.604 123.979 121.223 0.254 0.000 2.268 246 L HA 0.183 4.522 4.340 -0.001 0.000 0.289 246 L C -1.096 176.000 176.870 0.377 0.000 1.064 246 L CA -0.220 54.769 54.840 0.247 0.000 0.824 246 L CB 0.502 42.709 42.059 0.247 0.000 1.202 246 L HN 0.581 nan 8.230 nan 0.000 0.433 247 W N 6.773 128.175 121.300 0.171 0.000 2.387 247 W HA 0.348 5.008 4.660 -0.001 0.000 0.310 247 W C 0.214 176.759 176.519 0.043 0.000 1.181 247 W CA -1.299 56.166 57.345 0.201 0.000 1.333 247 W CB 0.500 30.118 29.460 0.263 0.000 1.286 247 W HN 0.514 nan 8.180 nan 0.000 0.455 248 R N 3.740 124.418 120.500 0.296 0.000 2.758 248 R HA 0.539 4.878 4.340 -0.001 0.000 0.265 248 R C -0.071 176.139 176.300 -0.150 0.000 1.016 248 R CA -0.904 55.196 56.100 0.000 0.000 1.040 248 R CB 1.100 31.383 30.300 -0.028 0.000 1.152 248 R HN 0.241 nan 8.270 nan 0.000 0.503 249 Q N 1.374 120.929 119.800 -0.409 0.000 2.421 249 Q HA 0.051 4.391 4.340 -0.001 0.000 0.255 249 Q C 1.466 177.062 176.000 -0.673 0.000 1.013 249 Q CA 0.124 55.476 55.803 -0.752 0.000 0.895 249 Q CB 0.803 28.663 28.738 -1.464 0.000 1.271 249 Q HN 0.852 nan 8.270 nan 0.000 0.460 250 I N -2.052 118.219 120.570 -0.499 0.000 2.454 250 I HA -0.159 4.010 4.170 -0.001 0.000 0.254 250 I C 1.315 177.373 176.117 -0.098 0.000 1.156 250 I CA 1.310 62.495 61.300 -0.193 0.000 1.433 250 I CB -0.365 37.623 38.000 -0.020 0.000 1.082 250 I HN 0.673 nan 8.210 nan 0.000 0.432 251 W N 1.317 122.679 121.300 0.103 0.000 3.278 251 W HA 0.358 5.018 4.660 -0.001 0.000 0.308 251 W C 0.264 176.860 176.519 0.128 0.000 1.253 251 W CA -0.635 56.830 57.345 0.200 0.000 1.759 251 W CB -0.709 28.954 29.460 0.339 0.000 1.093 251 W HN -0.058 nan 8.180 nan 0.000 0.648 252 D N 1.681 121.862 120.400 -0.365 0.000 2.374 252 D HA 0.016 4.656 4.640 -0.001 0.000 0.240 252 D C 0.987 177.270 176.300 -0.029 0.000 1.229 252 D CA 0.215 54.116 54.000 -0.164 0.000 0.895 252 D CB 0.234 40.832 40.800 -0.337 0.000 1.046 252 D HN 0.030 nan 8.370 nan 0.000 0.498 253 N N 3.305 122.046 118.700 0.068 0.000 2.216 253 N HA -0.126 4.614 4.740 -0.001 0.000 0.183 253 N C 1.354 176.885 175.510 0.034 0.000 1.017 253 N CA 0.636 53.716 53.050 0.050 0.000 0.861 253 N CB 0.267 38.801 38.487 0.079 0.000 0.986 253 N HN 0.453 nan 8.380 nan 0.000 0.428 254 K N -0.007 120.418 120.400 0.042 0.000 2.137 254 K HA -0.015 4.305 4.320 -0.001 0.000 0.202 254 K C 0.882 177.497 176.600 0.025 0.000 1.052 254 K CA 1.222 57.531 56.287 0.035 0.000 0.961 254 K CB 0.221 32.746 32.500 0.043 0.000 0.741 254 K HN 0.187 nan 8.250 nan 0.000 0.452 255 G N 0.706 109.514 108.800 0.012 0.000 2.168 255 G HA2 -0.161 3.799 3.960 -0.001 0.000 0.197 255 G HA3 -0.161 3.799 3.960 -0.001 0.000 0.197 255 G C 0.128 175.031 174.900 0.005 0.000 0.997 255 G CA 0.304 45.408 45.100 0.007 0.000 0.658 255 G HN 0.365 nan 8.290 nan 0.000 0.513 256 D N 0.778 121.181 120.400 0.006 0.000 2.310 256 D HA -0.027 4.612 4.640 -0.001 0.000 0.212 256 D C 2.569 178.855 176.300 -0.023 0.000 0.965 256 D CA 1.728 55.728 54.000 0.000 0.000 0.879 256 D CB -0.216 40.591 40.800 0.011 0.000 0.921 256 D HN 0.666 nan 8.370 nan 0.000 0.510 257 T N -2.050 112.480 114.554 -0.040 0.000 3.113 257 T HA 0.296 4.646 4.350 -0.001 0.000 0.256 257 T C 0.987 175.645 174.700 -0.071 0.000 1.131 257 T CA -0.073 61.980 62.100 -0.079 0.000 1.074 257 T CB 0.012 68.811 68.868 -0.115 0.000 0.944 257 T HN 0.064 nan 8.240 nan 0.000 0.516 258 A N 1.419 124.224 122.820 -0.024 0.000 2.511 258 A HA 0.559 4.879 4.320 -0.001 0.000 0.242 258 A C -0.286 177.317 177.584 0.032 0.000 1.069 258 A CA -0.358 51.696 52.037 0.028 0.000 0.763 258 A CB -0.100 18.943 19.000 0.072 0.000 1.001 258 A HN 0.538 nan 8.150 nan 0.000 0.498 259 L N 2.766 124.028 121.223 0.065 0.000 2.409 259 L HA 0.561 4.900 4.340 -0.001 0.000 0.272 259 L C -0.645 176.285 176.870 0.100 0.000 0.980 259 L CA -0.560 54.314 54.840 0.057 0.000 0.826 259 L CB 1.429 43.485 42.059 -0.004 0.000 1.268 259 L HN 0.659 nan 8.230 nan 0.000 0.407 260 F N 3.872 123.785 119.950 -0.060 0.000 2.578 260 F HA 0.384 4.910 4.527 -0.001 0.000 0.381 260 F C 0.028 175.713 175.800 -0.192 0.000 1.069 260 F CA 0.783 58.715 58.000 -0.114 0.000 1.231 260 F CB 0.445 39.398 39.000 -0.078 0.000 1.086 260 F HN 0.557 nan 8.300 nan 0.000 0.564 261 T N 5.378 119.367 114.554 -0.942 0.000 2.848 261 T HA 0.201 4.551 4.350 -0.001 0.000 0.285 261 T C -1.603 172.484 174.700 -1.021 0.000 0.995 261 T CA -0.474 61.149 62.100 -0.794 0.000 0.970 261 T CB 0.883 69.268 68.868 -0.805 0.000 0.976 261 T HN 0.616 nan 8.240 nan 0.000 0.441 262 H N 2.836 121.614 119.070 -0.487 0.000 2.504 262 H HA 0.627 5.183 4.556 -0.001 0.000 0.322 262 H C -0.406 174.745 175.328 -0.294 0.000 1.055 262 H CA -0.762 55.115 56.048 -0.286 0.000 1.231 262 H CB 0.777 30.592 29.762 0.088 0.000 1.417 262 H HN 0.478 nan 8.280 nan 0.000 0.472 263 M N 6.932 126.231 119.600 -0.502 0.000 2.113 263 M HA 0.300 4.779 4.480 -0.001 0.000 0.352 263 M C -0.982 175.100 176.300 -0.363 0.000 1.170 263 M CA -0.601 54.475 55.300 -0.373 0.000 1.053 263 M CB 0.696 33.123 32.600 -0.290 0.000 1.601 263 M HN 0.671 nan 8.290 nan 0.000 0.459 264 M N 6.893 126.373 119.600 -0.199 0.000 2.243 264 M HA 0.204 4.683 4.480 -0.001 0.000 0.341 264 M C -1.605 174.574 176.300 -0.201 0.000 1.130 264 M CA -1.302 53.919 55.300 -0.131 0.000 1.162 264 M CB 0.447 32.987 32.600 -0.100 0.000 1.497 264 M HN 0.473 nan 8.290 nan 0.000 0.456 265 P HA 0.097 nan 4.420 nan 0.000 0.239 265 P C -0.323 176.787 177.300 -0.317 0.000 1.188 265 P CA 0.927 63.727 63.100 -0.501 0.000 0.794 265 P CB 0.325 31.411 31.700 -1.024 0.000 0.937 266 F N -1.853 118.105 119.950 0.013 0.000 2.611 266 F HA 0.300 4.827 4.527 -0.001 0.000 0.374 266 F C 1.997 177.882 175.800 0.142 0.000 1.110 266 F CA -1.403 56.640 58.000 0.071 0.000 1.090 266 F CB -0.853 38.126 39.000 -0.034 0.000 1.388 266 F HN -0.310 nan 8.300 nan 0.000 0.501 267 Y N -0.071 120.359 120.300 0.217 0.000 2.373 267 Y HA 0.150 4.700 4.550 -0.001 0.000 0.293 267 Y C 0.899 176.713 175.900 -0.143 0.000 1.129 267 Y CA 1.234 59.327 58.100 -0.011 0.000 1.226 267 Y CB 0.107 38.450 38.460 -0.196 0.000 1.000 267 Y HN 0.370 nan 8.280 nan 0.000 0.549 268 S N -1.742 113.813 115.700 -0.242 0.000 2.685 268 S HA 0.260 4.730 4.470 -0.001 0.000 0.282 268 S C -0.440 174.089 174.600 -0.119 0.000 1.159 268 S CA -0.383 57.584 58.200 -0.389 0.000 0.833 268 S CB 0.316 63.227 63.200 -0.482 0.000 1.151 268 S HN 0.281 nan 8.310 nan 0.000 0.485 269 Y N 0.704 120.969 120.300 -0.058 0.000 2.461 269 Y HA 0.345 4.894 4.550 -0.001 0.000 0.277 269 Y C 0.348 176.338 175.900 0.150 0.000 1.182 269 Y CA -0.724 57.371 58.100 -0.007 0.000 1.276 269 Y CB -0.945 37.422 38.460 -0.155 0.000 1.087 269 Y HN 0.513 nan 8.280 nan 0.000 0.519 270 D N 0.484 120.909 120.400 0.041 0.000 2.377 270 D HA 0.024 4.664 4.640 -0.001 0.000 0.245 270 D C 1.205 177.635 176.300 0.215 0.000 1.196 270 D CA -0.530 53.574 54.000 0.172 0.000 0.962 270 D CB 0.901 41.761 40.800 0.100 0.000 1.127 270 D HN 0.238 nan 8.370 nan 0.000 0.471 271 I N -0.168 120.506 120.570 0.172 0.000 2.226 271 I HA -0.161 4.008 4.170 -0.001 0.000 0.245 271 I C -0.752 175.401 176.117 0.060 0.000 1.100 271 I CA 0.882 62.268 61.300 0.143 0.000 1.374 271 I CB -1.200 36.874 38.000 0.123 0.000 1.057 271 I HN 0.345 nan 8.210 nan 0.000 0.413 272 P HA -0.168 nan 4.420 nan 0.000 0.218 272 P C 0.624 177.611 177.300 -0.522 0.000 1.146 272 P CA 1.674 64.583 63.100 -0.318 0.000 0.813 272 P CB -0.135 31.357 31.700 -0.348 0.000 0.778 273 H N -2.967 116.097 119.070 -0.011 0.000 2.486 273 H HA 0.219 4.774 4.556 -0.001 0.000 0.284 273 H C 0.910 176.328 175.328 0.151 0.000 1.103 273 H CA 0.584 56.636 56.048 0.007 0.000 1.089 273 H CB -0.196 29.637 29.762 0.120 0.000 1.603 273 H HN 0.115 nan 8.280 nan 0.000 0.557 274 T N -4.279 110.389 114.554 0.191 0.000 2.986 274 T HA -0.027 4.323 4.350 -0.001 0.000 0.264 274 T C 1.819 176.642 174.700 0.205 0.000 0.964 274 T CA 0.356 62.599 62.100 0.238 0.000 0.895 274 T CB -0.673 68.328 68.868 0.221 0.000 1.163 274 T HN 0.505 nan 8.240 nan 0.000 0.517 275 c N 1.645 120.335 118.600 0.150 0.000 2.495 275 c HA 0.700 5.269 4.570 -0.001 0.000 0.275 275 c C 1.339 175.550 174.090 0.202 0.000 1.392 275 c CA 0.476 56.935 56.329 0.216 0.000 1.766 275 c CB -1.137 41.461 42.510 0.146 0.000 1.933 275 c HN 0.880 nan 8.230 nan 0.000 0.519 276 G N -0.455 108.374 108.800 0.049 0.000 2.315 276 G HA2 0.387 4.347 3.960 -0.001 0.000 0.294 276 G HA3 0.387 4.347 3.960 -0.001 0.000 0.294 276 G C -2.761 171.740 174.900 -0.666 0.000 1.300 276 G CA 0.229 45.289 45.100 -0.067 0.000 0.843 276 G HN -0.106 nan 8.290 nan 0.000 0.527 277 P HA 0.109 nan 4.420 nan 0.000 0.233 277 P C -0.152 176.733 177.300 -0.691 0.000 1.167 277 P CA 1.005 63.414 63.100 -1.150 0.000 0.770 277 P CB 0.380 31.746 31.700 -0.558 0.000 0.837 278 D N 0.832 120.940 120.400 -0.487 0.000 2.441 278 D HA 0.148 4.788 4.640 -0.001 0.000 0.231 278 D C -1.561 174.402 176.300 -0.562 0.000 1.073 278 D CA -2.652 51.104 54.000 -0.407 0.000 0.850 278 D CB 1.414 42.061 40.800 -0.255 0.000 1.062 278 D HN -0.043 nan 8.370 nan 0.000 0.524 279 P HA -0.135 nan 4.420 nan 0.000 0.222 279 P C 1.211 177.734 177.300 -1.295 0.000 1.147 279 P CA 0.697 63.050 63.100 -1.245 0.000 0.790 279 P CB 0.469 31.098 31.700 -1.785 0.000 0.780 280 K N 0.280 120.057 120.400 -1.038 0.000 2.148 280 K HA -0.063 4.257 4.320 -0.001 0.000 0.204 280 K C 1.756 178.186 176.600 -0.284 0.000 1.050 280 K CA 1.043 57.012 56.287 -0.530 0.000 0.942 280 K CB -0.191 32.169 32.500 -0.233 0.000 0.724 280 K HN -0.060 nan 8.250 nan 0.000 0.446 281 V N 0.363 120.115 119.914 -0.270 0.000 2.379 281 V HA -0.231 3.889 4.120 -0.001 0.000 0.243 281 V C 2.399 178.471 176.094 -0.036 0.000 1.035 281 V CA 1.339 63.570 62.300 -0.113 0.000 1.035 281 V CB -0.321 31.453 31.823 -0.081 0.000 0.673 281 V HN 0.463 nan 8.190 nan 0.000 0.457 282 c N -0.670 117.833 118.600 -0.162 0.000 2.422 282 c HA -0.196 4.374 4.570 -0.001 0.000 0.279 282 c C 2.988 177.046 174.090 -0.052 0.000 1.305 282 c CA 0.806 57.099 56.329 -0.060 0.000 1.757 282 c CB -1.475 40.917 42.510 -0.198 0.000 1.962 282 c HN 0.762 nan 8.230 nan 0.000 0.499 283 c N 0.887 119.368 118.600 -0.198 0.000 2.410 283 c HA -0.146 4.423 4.570 -0.001 0.000 0.281 283 c C 2.599 176.581 174.090 -0.179 0.000 1.318 283 c CA 1.214 57.473 56.329 -0.117 0.000 1.776 283 c CB -1.480 41.032 42.510 0.003 0.000 1.942 283 c HN 0.640 nan 8.230 nan 0.000 0.508 284 Q N -1.325 118.313 119.800 -0.269 0.000 2.488 284 Q HA -0.028 4.311 4.340 -0.001 0.000 0.211 284 Q C 0.612 175.945 176.000 -1.112 0.000 0.967 284 Q CA 1.016 56.464 55.803 -0.591 0.000 0.926 284 Q CB -0.033 28.329 28.738 -0.628 0.000 0.992 284 Q HN 0.751 nan 8.270 nan 0.000 0.506 285 F N -0.317 119.341 119.950 -0.487 0.000 2.698 285 F HA 0.176 4.702 4.527 -0.001 0.000 0.304 285 F C 0.165 175.688 175.800 -0.462 0.000 1.108 285 F CA -0.629 56.979 58.000 -0.653 0.000 1.263 285 F CB 0.782 39.648 39.000 -0.222 0.000 1.013 285 F HN -0.151 nan 8.300 nan 0.000 0.532 286 D N 0.101 120.283 120.400 -0.364 0.000 2.467 286 D HA 0.145 4.785 4.640 -0.001 0.000 0.220 286 D C 0.472 176.598 176.300 -0.290 0.000 1.103 286 D CA -0.355 53.544 54.000 -0.170 0.000 0.886 286 D CB 0.148 40.906 40.800 -0.070 0.000 1.025 286 D HN 0.081 nan 8.370 nan 0.000 0.514 287 F N 1.774 121.735 119.950 0.018 0.000 2.802 287 F HA 0.105 4.632 4.527 -0.001 0.000 0.300 287 F C 2.322 178.078 175.800 -0.073 0.000 1.168 287 F CA 0.289 58.275 58.000 -0.024 0.000 1.433 287 F CB 0.066 39.072 39.000 0.011 0.000 1.115 287 F HN 0.263 nan 8.300 nan 0.000 0.582 288 K N 0.642 120.988 120.400 -0.091 0.000 2.459 288 K HA 0.047 4.366 4.320 -0.001 0.000 0.193 288 K C 1.143 177.723 176.600 -0.033 0.000 1.030 288 K CA 0.296 56.405 56.287 -0.298 0.000 1.026 288 K CB 0.120 32.298 32.500 -0.537 0.000 0.809 288 K HN 0.191 nan 8.250 nan 0.000 0.504 289 R N 0.014 120.512 120.500 -0.003 0.000 2.586 289 R HA 0.199 4.539 4.340 -0.001 0.000 0.306 289 R C 0.999 177.329 176.300 0.050 0.000 1.079 289 R CA -0.170 55.947 56.100 0.028 0.000 1.083 289 R CB 0.236 30.529 30.300 -0.013 0.000 1.306 289 R HN 0.192 nan 8.270 nan 0.000 0.567 290 M N -1.146 118.519 119.600 0.109 0.000 2.541 290 M HA 0.139 4.619 4.480 -0.001 0.000 0.252 290 M C 1.236 177.577 176.300 0.068 0.000 1.125 290 M CA 1.069 56.416 55.300 0.079 0.000 1.091 290 M CB 0.730 33.389 32.600 0.099 0.000 1.420 290 M HN 0.492 nan 8.290 nan 0.000 0.486 291 G N -0.240 108.618 108.800 0.097 0.000 3.709 291 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.196 291 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.196 291 G C 1.001 175.913 174.900 0.020 0.000 1.177 291 G CA 0.235 45.364 45.100 0.049 0.000 0.906 291 G HN 0.395 nan 8.290 nan 0.000 0.416 292 S N 0.360 116.033 115.700 -0.045 0.000 2.469 292 S HA 0.150 4.620 4.470 -0.001 0.000 0.238 292 S C 1.729 176.148 174.600 -0.302 0.000 0.998 292 S CA 1.568 59.640 58.200 -0.213 0.000 0.957 292 S CB -0.460 62.527 63.200 -0.355 0.000 0.764 292 S HN 0.363 nan 8.310 nan 0.000 0.514 293 F N 1.854 121.803 119.950 -0.002 0.000 2.732 293 F HA 0.435 4.961 4.527 -0.001 0.000 0.303 293 F C 1.881 177.683 175.800 0.003 0.000 1.110 293 F CA -0.083 57.915 58.000 -0.002 0.000 1.355 293 F CB -0.229 38.765 39.000 -0.010 0.000 1.081 293 F HN 0.354 nan 8.300 nan 0.000 0.565 294 G N 1.151 110.027 108.800 0.128 0.000 2.160 294 G HA2 -0.291 3.669 3.960 -0.001 0.000 0.251 294 G HA3 -0.291 3.669 3.960 -0.001 0.000 0.251 294 G C -0.089 174.865 174.900 0.090 0.000 1.008 294 G CA 0.089 45.240 45.100 0.085 0.000 0.724 294 G HN 0.321 nan 8.290 nan 0.000 0.514 295 L N 0.166 121.456 121.223 0.112 0.000 2.333 295 L HA 0.857 5.197 4.340 -0.001 0.000 0.269 295 L C 0.563 177.468 176.870 0.059 0.000 1.010 295 L CA -0.392 54.495 54.840 0.079 0.000 0.818 295 L CB 2.278 44.381 42.059 0.074 0.000 1.306 295 L HN 0.420 nan 8.230 nan 0.000 0.430 296 S N -0.710 115.012 115.700 0.037 0.000 2.720 296 S HA 0.545 5.015 4.470 -0.001 0.000 0.287 296 S C -1.148 173.467 174.600 0.026 0.000 1.168 296 S CA -0.803 57.410 58.200 0.022 0.000 0.832 296 S CB 1.650 64.853 63.200 0.005 0.000 1.166 296 S HN 0.530 nan 8.310 nan 0.000 0.493 297 c N 2.597 121.216 118.600 0.031 0.000 2.265 297 c HA 0.520 5.090 4.570 -0.001 0.000 0.332 297 c C -1.228 172.855 174.090 -0.011 0.000 1.248 297 c CA -0.997 55.387 56.329 0.092 0.000 1.727 297 c CB 0.566 43.163 42.510 0.144 0.000 2.348 297 c HN 0.764 nan 8.230 nan 0.000 0.519 298 P HA -0.113 nan 4.420 nan 0.000 0.218 298 P C 1.176 178.166 177.300 -0.516 0.000 1.146 298 P CA 1.435 64.216 63.100 -0.532 0.000 0.813 298 P CB 0.063 31.100 31.700 -1.105 0.000 0.778 299 W N -0.726 120.551 121.300 -0.039 0.000 3.256 299 W HA 0.202 4.862 4.660 -0.001 0.000 0.269 299 W C 0.612 177.104 176.519 -0.047 0.000 1.310 299 W CA 0.177 57.494 57.345 -0.046 0.000 1.673 299 W CB -0.414 29.009 29.460 -0.061 0.000 1.115 299 W HN 0.094 nan 8.180 nan 0.000 0.686 300 K N -1.068 119.389 120.400 0.095 0.000 3.512 300 K HA -0.173 4.147 4.320 -0.001 0.000 0.309 300 K C -0.322 176.299 176.600 0.036 0.000 1.350 300 K CA 0.539 56.847 56.287 0.036 0.000 0.960 300 K CB -1.938 30.571 32.500 0.014 0.000 1.290 300 K HN -0.115 nan 8.250 nan 0.000 0.454 301 V N 2.229 122.176 119.914 0.055 0.000 2.334 301 V HA 0.305 4.424 4.120 -0.001 0.000 0.281 301 V C -1.780 174.297 176.094 -0.028 0.000 1.016 301 V CA -1.534 60.768 62.300 0.003 0.000 0.832 301 V CB 1.287 33.102 31.823 -0.013 0.000 0.999 301 V HN -0.028 nan 8.190 nan 0.000 0.439 302 P HA 0.400 nan 4.420 nan 0.000 0.276 302 P C -2.829 174.380 177.300 -0.151 0.000 1.252 302 P CA -2.065 60.992 63.100 -0.071 0.000 0.802 302 P CB 0.252 31.925 31.700 -0.044 0.000 1.035 303 P HA 0.245 nan 4.420 nan 0.000 0.269 303 P C -0.299 176.903 177.300 -0.163 0.000 1.215 303 P CA 0.170 63.069 63.100 -0.335 0.000 0.780 303 P CB 0.544 31.991 31.700 -0.422 0.000 0.898 304 R N 0.429 120.841 120.500 -0.147 0.000 2.599 304 R HA 0.404 4.744 4.340 -0.001 0.000 0.295 304 R C -0.318 176.042 176.300 0.100 0.000 0.963 304 R CA -0.675 55.410 56.100 -0.025 0.000 0.883 304 R CB 1.267 31.528 30.300 -0.065 0.000 1.171 304 R HN 0.354 nan 8.270 nan 0.000 0.450 305 T N 4.083 118.688 114.554 0.085 0.000 2.905 305 T HA 0.023 4.372 4.350 -0.001 0.000 0.299 305 T C 0.785 175.473 174.700 -0.020 0.000 1.024 305 T CA 0.152 62.274 62.100 0.037 0.000 1.151 305 T CB 0.088 68.959 68.868 0.004 0.000 0.987 305 T HN 0.196 nan 8.240 nan 0.000 0.535 306 I N 4.111 124.620 120.570 -0.101 0.000 2.556 306 I HA 0.232 4.401 4.170 -0.001 0.000 0.284 306 I C 1.014 177.079 176.117 -0.087 0.000 1.114 306 I CA 0.118 61.358 61.300 -0.099 0.000 1.418 306 I CB 0.119 38.021 38.000 -0.164 0.000 1.394 306 I HN 0.769 nan 8.210 nan 0.000 0.552 307 S N 3.931 119.591 115.700 -0.065 0.000 2.697 307 S HA 0.442 4.912 4.470 -0.001 0.000 0.289 307 S C 0.384 174.952 174.600 -0.054 0.000 1.149 307 S CA -0.783 57.387 58.200 -0.051 0.000 0.850 307 S CB 2.159 65.337 63.200 -0.037 0.000 1.151 307 S HN 0.515 nan 8.310 nan 0.000 0.491 308 D N 0.825 121.203 120.400 -0.037 0.000 2.182 308 D HA -0.114 4.526 4.640 -0.001 0.000 0.201 308 D C 1.770 178.045 176.300 -0.042 0.000 0.986 308 D CA 1.480 55.460 54.000 -0.034 0.000 0.847 308 D CB -0.278 40.517 40.800 -0.009 0.000 0.942 308 D HN 0.639 nan 8.370 nan 0.000 0.467 309 Q N 0.124 119.904 119.800 -0.034 0.000 2.124 309 Q HA -0.135 4.205 4.340 -0.001 0.000 0.202 309 Q C 1.461 177.436 176.000 -0.041 0.000 0.977 309 Q CA 1.409 57.194 55.803 -0.030 0.000 0.850 309 Q CB -0.010 28.714 28.738 -0.022 0.000 0.901 309 Q HN 0.350 nan 8.270 nan 0.000 0.429 310 N N -1.160 117.508 118.700 -0.053 0.000 2.220 310 N HA -0.051 4.688 4.740 -0.001 0.000 0.195 310 N C 1.279 176.739 175.510 -0.083 0.000 1.123 310 N CA 0.168 53.187 53.050 -0.053 0.000 0.874 310 N CB -0.146 38.317 38.487 -0.041 0.000 0.995 310 N HN 0.005 nan 8.380 nan 0.000 0.498 311 V N 0.531 120.361 119.914 -0.140 0.000 2.407 311 V HA -0.061 4.059 4.120 -0.001 0.000 0.248 311 V C 2.253 178.138 176.094 -0.348 0.000 1.055 311 V CA 1.978 64.143 62.300 -0.225 0.000 1.049 311 V CB -0.896 30.769 31.823 -0.264 0.000 0.662 311 V HN 0.426 nan 8.190 nan 0.000 0.455 312 A N -0.129 122.463 122.820 -0.380 0.000 1.877 312 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 312 A C 2.426 180.046 177.584 0.059 0.000 1.186 312 A CA 2.222 54.156 52.037 -0.172 0.000 0.620 312 A CB -1.021 17.986 19.000 0.013 0.000 0.822 312 A HN 0.806 nan 8.150 nan 0.000 0.443 313 A N -0.526 122.304 122.820 0.017 0.000 1.873 313 A HA -0.121 4.199 4.320 -0.001 0.000 0.215 313 A C 2.230 179.852 177.584 0.063 0.000 1.186 313 A CA 1.341 53.408 52.037 0.050 0.000 0.616 313 A CB -0.445 18.567 19.000 0.021 0.000 0.823 313 A HN 0.407 nan 8.150 nan 0.000 0.442 314 R N 0.141 120.669 120.500 0.047 0.000 2.081 314 R HA -0.068 4.271 4.340 -0.001 0.000 0.235 314 R C 2.409 178.756 176.300 0.077 0.000 1.131 314 R CA 1.582 57.764 56.100 0.137 0.000 0.960 314 R CB -1.000 29.379 30.300 0.131 0.000 0.856 314 R HN 0.531 nan 8.270 nan 0.000 0.436 315 S N 1.260 116.952 115.700 -0.013 0.000 2.368 315 S HA -0.114 4.356 4.470 -0.001 0.000 0.224 315 S C 1.319 175.803 174.600 -0.193 0.000 1.029 315 S CA 1.306 59.403 58.200 -0.171 0.000 0.988 315 S CB -0.204 63.010 63.200 0.023 0.000 0.838 315 S HN 0.262 nan 8.310 nan 0.000 0.462 316 D N 1.655 122.129 120.400 0.123 0.000 2.106 316 D HA -0.104 4.535 4.640 -0.001 0.000 0.191 316 D C 1.883 178.191 176.300 0.013 0.000 0.997 316 D CA 0.946 55.068 54.000 0.204 0.000 0.834 316 D CB -0.483 40.442 40.800 0.209 0.000 0.956 316 D HN 0.279 nan 8.370 nan 0.000 0.448 317 L N -0.166 121.043 121.223 -0.023 0.000 2.046 317 L HA -0.156 4.184 4.340 -0.001 0.000 0.208 317 L C 2.363 179.065 176.870 -0.280 0.000 1.077 317 L CA 0.507 55.313 54.840 -0.057 0.000 0.747 317 L CB -0.200 41.903 42.059 0.072 0.000 0.896 317 L HN 0.082 nan 8.230 nan 0.000 0.432 318 L N -0.973 119.906 121.223 -0.574 0.000 2.044 318 L HA -0.116 4.224 4.340 -0.001 0.000 0.205 318 L C 2.313 178.502 176.870 -1.135 0.000 1.075 318 L CA 1.543 55.703 54.840 -1.133 0.000 0.747 318 L CB -0.324 40.742 42.059 -1.655 0.000 0.903 318 L HN -0.090 nan 8.230 nan 0.000 0.435 319 V N 0.062 119.444 119.914 -0.887 0.000 2.407 319 V HA -0.306 3.814 4.120 -0.001 0.000 0.248 319 V C 2.307 178.244 176.094 -0.261 0.000 1.055 319 V CA 1.921 63.860 62.300 -0.602 0.000 1.049 319 V CB -0.794 30.703 31.823 -0.543 0.000 0.662 319 V HN 0.599 nan 8.190 nan 0.000 0.455 320 D N -0.756 119.552 120.400 -0.154 0.000 2.123 320 D HA -0.213 4.427 4.640 -0.001 0.000 0.196 320 D C 2.233 178.514 176.300 -0.032 0.000 0.992 320 D CA 1.232 55.246 54.000 0.023 0.000 0.833 320 D CB -0.010 40.859 40.800 0.114 0.000 0.954 320 D HN 0.293 nan 8.370 nan 0.000 0.455 321 Q N -0.521 119.190 119.800 -0.147 0.000 2.050 321 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 321 Q C 2.153 178.177 176.000 0.040 0.000 0.980 321 Q CA 0.981 56.724 55.803 -0.099 0.000 0.840 321 Q CB -0.610 28.006 28.738 -0.202 0.000 0.898 321 Q HN 0.551 nan 8.270 nan 0.000 0.424 322 W N 1.527 122.726 121.300 -0.168 0.000 2.338 322 W HA -0.116 4.543 4.660 -0.001 0.000 0.304 322 W C 2.096 178.505 176.519 -0.184 0.000 1.212 322 W CA 0.802 58.047 57.345 -0.167 0.000 1.264 322 W CB -0.675 28.655 29.460 -0.216 0.000 1.142 322 W HN 0.218 nan 8.180 nan 0.000 0.512 323 K N 0.133 120.501 120.400 -0.053 0.000 2.148 323 K HA -0.137 4.182 4.320 -0.001 0.000 0.204 323 K C 1.943 178.398 176.600 -0.241 0.000 1.050 323 K CA 1.226 57.331 56.287 -0.304 0.000 0.942 323 K CB -0.228 31.787 32.500 -0.808 0.000 0.724 323 K HN 0.088 nan 8.250 nan 0.000 0.446 324 K N 1.037 121.381 120.400 -0.093 0.000 2.026 324 K HA -0.160 4.160 4.320 -0.001 0.000 0.208 324 K C 2.120 178.795 176.600 0.124 0.000 1.048 324 K CA 1.248 57.606 56.287 0.119 0.000 0.929 324 K CB -0.027 32.559 32.500 0.143 0.000 0.713 324 K HN 0.021 nan 8.250 nan 0.000 0.439 325 K N 0.804 121.283 120.400 0.131 0.000 2.097 325 K HA -0.132 4.188 4.320 -0.001 0.000 0.206 325 K C 2.034 178.759 176.600 0.209 0.000 1.049 325 K CA 1.284 57.676 56.287 0.175 0.000 0.933 325 K CB -0.092 32.527 32.500 0.199 0.000 0.717 325 K HN 0.146 nan 8.250 nan 0.000 0.442 326 A N 1.162 124.088 122.820 0.176 0.000 2.070 326 A HA -0.126 4.193 4.320 -0.001 0.000 0.220 326 A C 1.692 179.446 177.584 0.284 0.000 1.159 326 A CA 1.244 53.422 52.037 0.237 0.000 0.656 326 A CB -0.310 18.799 19.000 0.180 0.000 0.800 326 A HN 0.307 nan 8.150 nan 0.000 0.453 327 E N 0.012 120.356 120.200 0.239 0.000 2.333 327 E HA -0.103 4.246 4.350 -0.001 0.000 0.198 327 E C 1.529 178.258 176.600 0.215 0.000 1.007 327 E CA 0.687 57.236 56.400 0.248 0.000 0.845 327 E CB -0.222 29.649 29.700 0.286 0.000 0.766 327 E HN 0.717 nan 8.360 nan 0.000 0.507 328 L N -0.654 120.658 121.223 0.149 0.000 2.591 328 L HA 0.064 4.403 4.340 -0.001 0.000 0.228 328 L C 0.186 176.862 176.870 -0.324 0.000 1.133 328 L CA 0.181 54.982 54.840 -0.065 0.000 0.880 328 L CB -0.015 41.889 42.059 -0.258 0.000 1.033 328 L HN -0.005 nan 8.230 nan 0.000 0.450 329 Y N -1.685 118.699 120.300 0.139 0.000 2.633 329 Y HA 0.377 4.927 4.550 -0.001 0.000 0.339 329 Y C 1.104 177.119 175.900 0.191 0.000 1.045 329 Y CA -0.964 57.237 58.100 0.169 0.000 1.098 329 Y CB 1.227 39.797 38.460 0.184 0.000 1.296 329 Y HN -0.287 nan 8.280 nan 0.000 0.494 330 R N -0.574 120.168 120.500 0.403 0.000 2.265 330 R HA 0.093 4.433 4.340 -0.001 0.000 0.194 330 R C 0.307 176.737 176.300 0.218 0.000 0.931 330 R CA 0.764 57.011 56.100 0.246 0.000 1.032 330 R CB 0.293 30.679 30.300 0.144 0.000 0.980 330 R HN 0.756 nan 8.270 nan 0.000 0.497 331 T N -0.884 113.840 114.554 0.284 0.000 2.922 331 T HA 0.110 4.460 4.350 -0.001 0.000 0.281 331 T C 0.590 175.420 174.700 0.218 0.000 1.005 331 T CA -0.947 61.283 62.100 0.217 0.000 0.982 331 T CB 1.206 70.188 68.868 0.190 0.000 1.158 331 T HN 0.073 nan 8.240 nan 0.000 0.566 332 N N 0.074 118.871 118.700 0.163 0.000 2.327 332 N HA 0.151 4.891 4.740 -0.001 0.000 0.231 332 N C -0.743 174.773 175.510 0.010 0.000 1.130 332 N CA -0.373 52.736 53.050 0.098 0.000 0.845 332 N CB -0.140 38.290 38.487 -0.095 0.000 1.073 332 N HN 0.378 nan 8.380 nan 0.000 0.496 333 V N 1.197 121.146 119.914 0.057 0.000 2.444 333 V HA 0.422 4.542 4.120 -0.001 0.000 0.294 333 V C -0.677 175.514 176.094 0.161 0.000 1.022 333 V CA -0.973 61.364 62.300 0.061 0.000 0.850 333 V CB 1.642 33.482 31.823 0.028 0.000 0.992 333 V HN 0.177 nan 8.190 nan 0.000 0.426 334 L N 5.608 126.865 121.223 0.056 0.000 2.341 334 L HA 0.691 5.030 4.340 -0.001 0.000 0.278 334 L C -0.863 175.876 176.870 -0.218 0.000 1.005 334 L CA -0.476 54.309 54.840 -0.092 0.000 0.818 334 L CB 1.666 43.573 42.059 -0.253 0.000 1.259 334 L HN 0.636 nan 8.230 nan 0.000 0.418 335 L N 6.311 127.188 121.223 -0.577 0.000 2.264 335 L HA 0.550 4.889 4.340 -0.001 0.000 0.289 335 L C -0.995 175.590 176.870 -0.475 0.000 1.044 335 L CA 0.140 54.499 54.840 -0.802 0.000 0.807 335 L CB 0.744 41.849 42.059 -1.589 0.000 1.192 335 L HN 0.432 nan 8.230 nan 0.000 0.425 336 I N 7.402 127.773 120.570 -0.331 0.000 2.502 336 I HA 0.335 4.504 4.170 -0.001 0.000 0.276 336 I C -2.272 173.824 176.117 -0.035 0.000 1.057 336 I CA -2.062 59.135 61.300 -0.172 0.000 1.163 336 I CB 0.992 38.860 38.000 -0.221 0.000 1.288 336 I HN 0.422 nan 8.210 nan 0.000 0.479 337 P HA 0.124 nan 4.420 nan 0.000 0.266 337 P C -0.436 177.046 177.300 0.304 0.000 1.195 337 P CA -0.175 63.058 63.100 0.223 0.000 0.768 337 P CB 0.788 32.657 31.700 0.281 0.000 0.838 338 L N 3.112 124.557 121.223 0.370 0.000 2.454 338 L HA 0.759 5.099 4.340 -0.001 0.000 0.258 338 L C -0.095 176.850 176.870 0.124 0.000 1.025 338 L CA 0.391 55.367 54.840 0.225 0.000 0.901 338 L CB 0.516 42.636 42.059 0.101 0.000 1.210 338 L HN 0.615 nan 8.230 nan 0.000 0.457 339 G N 1.727 110.481 108.800 -0.076 0.000 2.342 339 G HA2 0.486 4.445 3.960 -0.001 0.000 0.297 339 G HA3 0.486 4.445 3.960 -0.001 0.000 0.297 339 G C -2.193 172.590 174.900 -0.195 0.000 1.313 339 G CA -0.203 44.607 45.100 -0.483 0.000 0.830 339 G HN 0.407 nan 8.290 nan 0.000 0.506 340 D N -1.812 118.539 120.400 -0.083 0.000 2.893 340 D HA 0.286 4.926 4.640 -0.001 0.000 0.346 340 D C -1.559 174.875 176.300 0.223 0.000 1.402 340 D CA -0.459 53.675 54.000 0.223 0.000 0.815 340 D CB 1.278 42.162 40.800 0.140 0.000 1.403 340 D HN 0.226 nan 8.370 nan 0.000 0.484 341 D N 0.447 121.043 120.400 0.326 0.000 2.450 341 D HA 0.207 4.846 4.640 -0.001 0.000 0.247 341 D C 0.234 176.690 176.300 0.260 0.000 1.162 341 D CA 0.523 54.702 54.000 0.298 0.000 0.879 341 D CB -0.305 40.779 40.800 0.472 0.000 1.163 341 D HN 0.339 nan 8.370 nan 0.000 0.472 342 F N 0.302 120.323 119.950 0.117 0.000 3.079 342 F HA -0.308 4.219 4.527 -0.001 0.000 0.274 342 F C 1.097 176.938 175.800 0.069 0.000 0.940 342 F CA 0.624 58.669 58.000 0.076 0.000 0.932 342 F CB -0.938 38.098 39.000 0.060 0.000 0.891 342 F HN 0.231 nan 8.300 nan 0.000 0.722 343 R N -0.477 120.106 120.500 0.138 0.000 2.583 343 R HA 0.495 4.835 4.340 -0.001 0.000 0.268 343 R C 0.663 176.979 176.300 0.028 0.000 1.101 343 R CA -0.738 55.327 56.100 -0.057 0.000 1.180 343 R CB -0.046 30.116 30.300 -0.231 0.000 1.128 343 R HN 0.190 nan 8.270 nan 0.000 0.568 344 F N -0.760 119.015 119.950 -0.290 0.000 3.056 344 F HA -0.252 4.274 4.527 -0.001 0.000 0.301 344 F C 1.306 177.051 175.800 -0.093 0.000 0.907 344 F CA 0.901 58.521 58.000 -0.635 0.000 1.113 344 F CB -1.095 37.242 39.000 -1.104 0.000 1.123 344 F HN 0.605 nan 8.300 nan 0.000 0.661 345 K N -0.272 120.173 120.400 0.075 0.000 2.202 345 K HA 0.110 4.430 4.320 -0.001 0.000 0.201 345 K C 0.719 177.450 176.600 0.217 0.000 1.051 345 K CA 0.796 57.200 56.287 0.195 0.000 0.977 345 K CB 0.346 32.925 32.500 0.132 0.000 0.792 345 K HN 0.473 nan 8.250 nan 0.000 0.469 346 Q N 0.226 120.135 119.800 0.182 0.000 2.306 346 Q HA 0.214 4.553 4.340 -0.001 0.000 0.265 346 Q C 0.020 176.198 176.000 0.296 0.000 1.022 346 Q CA -0.643 55.280 55.803 0.201 0.000 0.853 346 Q CB 1.734 30.594 28.738 0.204 0.000 1.327 346 Q HN 0.144 nan 8.270 nan 0.000 0.449 347 N N 0.378 119.221 118.700 0.239 0.000 2.104 347 N HA -0.163 4.577 4.740 -0.001 0.000 0.190 347 N C 1.635 177.293 175.510 0.248 0.000 1.024 347 N CA 2.197 55.388 53.050 0.234 0.000 0.853 347 N CB -0.219 38.355 38.487 0.144 0.000 1.008 347 N HN 0.718 nan 8.380 nan 0.000 0.424 348 T N -1.163 113.535 114.554 0.240 0.000 2.881 348 T HA -0.108 4.242 4.350 -0.001 0.000 0.270 348 T C 1.703 176.599 174.700 0.328 0.000 1.068 348 T CA 1.143 63.410 62.100 0.277 0.000 1.131 348 T CB -0.080 68.941 68.868 0.256 0.000 0.871 348 T HN 0.350 nan 8.240 nan 0.000 0.479 349 E N -0.190 120.144 120.200 0.223 0.000 2.072 349 E HA -0.093 4.257 4.350 -0.001 0.000 0.190 349 E C 1.811 178.313 176.600 -0.163 0.000 0.982 349 E CA 0.654 56.944 56.400 -0.183 0.000 0.803 349 E CB -0.259 29.162 29.700 -0.465 0.000 0.755 349 E HN 0.690 nan 8.360 nan 0.000 0.453 350 W N 1.880 123.093 121.300 -0.145 0.000 2.318 350 W HA -0.211 4.449 4.660 -0.001 0.000 0.313 350 W C 2.113 178.495 176.519 -0.227 0.000 1.221 350 W CA 1.405 58.571 57.345 -0.299 0.000 1.266 350 W CB -0.299 28.652 29.460 -0.847 0.000 1.150 350 W HN 0.197 nan 8.180 nan 0.000 0.496 351 D N -0.642 119.859 120.400 0.169 0.000 2.117 351 D HA -0.164 4.476 4.640 -0.001 0.000 0.198 351 D C 2.283 178.679 176.300 0.161 0.000 0.982 351 D CA 1.426 55.569 54.000 0.240 0.000 0.828 351 D CB -1.000 39.938 40.800 0.230 0.000 0.967 351 D HN 0.046 nan 8.370 nan 0.000 0.464 352 V N 0.917 120.909 119.914 0.128 0.000 2.427 352 V HA -0.202 3.917 4.120 -0.001 0.000 0.248 352 V C 2.163 178.295 176.094 0.064 0.000 1.051 352 V CA 1.564 63.920 62.300 0.094 0.000 1.048 352 V CB -0.046 31.881 31.823 0.173 0.000 0.666 352 V HN 0.136 nan 8.190 nan 0.000 0.456 353 Q N -0.318 119.556 119.800 0.123 0.000 2.062 353 Q HA -0.160 4.180 4.340 -0.001 0.000 0.196 353 Q C 2.346 178.556 176.000 0.349 0.000 0.967 353 Q CA 1.760 57.734 55.803 0.285 0.000 0.832 353 Q CB -0.455 28.424 28.738 0.235 0.000 0.899 353 Q HN 0.615 nan 8.270 nan 0.000 0.442 354 R N 0.525 121.201 120.500 0.293 0.000 2.073 354 R HA -0.106 4.234 4.340 -0.001 0.000 0.234 354 R C 2.223 178.701 176.300 0.297 0.000 1.134 354 R CA 1.402 57.729 56.100 0.379 0.000 0.952 354 R CB -0.067 30.467 30.300 0.390 0.000 0.850 354 R HN 0.058 nan 8.270 nan 0.000 0.433 355 V N 1.954 121.961 119.914 0.155 0.000 2.358 355 V HA -0.225 3.894 4.120 -0.001 0.000 0.246 355 V C 2.012 178.049 176.094 -0.095 0.000 1.047 355 V CA 1.822 64.154 62.300 0.054 0.000 1.035 355 V CB -0.618 31.226 31.823 0.036 0.000 0.658 355 V HN 0.435 nan 8.190 nan 0.000 0.452 356 N N -0.535 117.995 118.700 -0.282 0.000 2.084 356 N HA -0.180 4.559 4.740 -0.001 0.000 0.190 356 N C 1.874 177.069 175.510 -0.526 0.000 1.030 356 N CA 1.733 54.403 53.050 -0.632 0.000 0.849 356 N CB -0.359 37.162 38.487 -1.611 0.000 1.012 356 N HN 0.514 nan 8.380 nan 0.000 0.423 357 Y N 1.993 122.105 120.300 -0.313 0.000 2.181 357 Y HA -0.110 4.439 4.550 -0.001 0.000 0.288 357 Y C 2.431 177.818 175.900 -0.856 0.000 1.146 357 Y CA 1.132 58.924 58.100 -0.514 0.000 1.164 357 Y CB -0.188 38.074 38.460 -0.329 0.000 0.982 357 Y HN 0.145 nan 8.280 nan 0.000 0.515 358 E N -0.236 119.822 120.200 -0.236 0.000 2.085 358 E HA -0.240 4.110 4.350 -0.001 0.000 0.194 358 E C 2.238 178.785 176.600 -0.087 0.000 0.994 358 E CA 1.193 57.540 56.400 -0.087 0.000 0.801 358 E CB -0.150 29.621 29.700 0.118 0.000 0.743 358 E HN 0.477 nan 8.360 nan 0.000 0.453 359 R N 0.320 120.747 120.500 -0.122 0.000 2.075 359 R HA -0.087 4.252 4.340 -0.001 0.000 0.232 359 R C 2.498 178.759 176.300 -0.064 0.000 1.126 359 R CA 0.838 56.895 56.100 -0.073 0.000 0.963 359 R CB -0.292 29.947 30.300 -0.101 0.000 0.858 359 R HN 0.151 nan 8.270 nan 0.000 0.435 360 L N -0.265 120.849 121.223 -0.182 0.000 2.012 360 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 360 L C 2.167 179.070 176.870 0.055 0.000 1.073 360 L CA 1.251 56.017 54.840 -0.124 0.000 0.748 360 L CB -0.443 41.453 42.059 -0.270 0.000 0.891 360 L HN 0.083 nan 8.230 nan 0.000 0.431 361 F N 0.191 120.146 119.950 0.009 0.000 2.134 361 F HA -0.211 4.316 4.527 -0.001 0.000 0.299 361 F C 2.643 178.442 175.800 -0.001 0.000 1.097 361 F CA 1.359 59.351 58.000 -0.012 0.000 1.264 361 F CB -0.980 37.975 39.000 -0.076 0.000 1.001 361 F HN 0.223 nan 8.300 nan 0.000 0.479 362 E N -0.668 119.658 120.200 0.209 0.000 2.077 362 E HA -0.289 4.061 4.350 -0.001 0.000 0.193 362 E C 2.209 178.893 176.600 0.140 0.000 0.989 362 E CA 1.510 57.996 56.400 0.142 0.000 0.800 362 E CB -0.269 29.499 29.700 0.112 0.000 0.746 362 E HN 0.505 nan 8.360 nan 0.000 0.452 363 H N 0.213 119.327 119.070 0.073 0.000 2.299 363 H HA -0.049 4.506 4.556 -0.001 0.000 0.302 363 H C 2.054 177.465 175.328 0.139 0.000 1.078 363 H CA 2.186 58.292 56.048 0.096 0.000 1.323 363 H CB -0.165 29.649 29.762 0.087 0.000 1.381 363 H HN 0.161 nan 8.280 nan 0.000 0.498 364 I N 0.421 121.048 120.570 0.095 0.000 2.226 364 I HA -0.285 3.884 4.170 -0.001 0.000 0.245 364 I C 1.652 177.787 176.117 0.029 0.000 1.100 364 I CA 1.348 62.631 61.300 -0.029 0.000 1.374 364 I CB -0.269 37.631 38.000 -0.168 0.000 1.057 364 I HN 0.361 nan 8.210 nan 0.000 0.413 365 N N 0.161 118.873 118.700 0.020 0.000 2.459 365 N HA -0.099 4.640 4.740 -0.001 0.000 0.181 365 N C 1.829 177.327 175.510 -0.021 0.000 1.046 365 N CA 1.412 54.454 53.050 -0.014 0.000 0.904 365 N CB -0.196 38.276 38.487 -0.026 0.000 0.964 365 N HN 0.392 nan 8.380 nan 0.000 0.444 366 S N -1.008 114.675 115.700 -0.028 0.000 2.535 366 S HA 0.145 4.615 4.470 -0.001 0.000 0.214 366 S C 0.519 175.072 174.600 -0.078 0.000 0.980 366 S CA -0.165 58.010 58.200 -0.042 0.000 0.907 366 S CB 0.307 63.492 63.200 -0.024 0.000 0.790 366 S HN -0.032 nan 8.310 nan 0.000 0.510 367 Q N 1.238 120.968 119.800 -0.116 0.000 2.466 367 Q HA 0.546 4.886 4.340 -0.001 0.000 0.242 367 Q C 0.832 176.696 176.000 -0.227 0.000 1.046 367 Q CA 0.074 55.756 55.803 -0.201 0.000 0.841 367 Q CB 1.292 29.790 28.738 -0.400 0.000 1.193 367 Q HN 0.442 nan 8.270 nan 0.000 0.508 368 A N 2.570 125.319 122.820 -0.119 0.000 1.978 368 A HA -0.257 4.062 4.320 -0.001 0.000 0.220 368 A C 1.597 179.120 177.584 -0.103 0.000 1.170 368 A CA 2.090 54.079 52.037 -0.081 0.000 0.636 368 A CB -0.684 18.295 19.000 -0.035 0.000 0.810 368 A HN 0.882 nan 8.150 nan 0.000 0.448 369 H N -3.324 115.654 119.070 -0.153 0.000 2.456 369 H HA -0.049 4.507 4.556 -0.001 0.000 0.296 369 H C 1.389 176.651 175.328 -0.110 0.000 1.079 369 H CA 1.536 57.482 56.048 -0.170 0.000 1.322 369 H CB -0.591 29.015 29.762 -0.260 0.000 1.388 369 H HN 0.419 nan 8.280 nan 0.000 0.538 370 F N 0.927 120.604 119.950 -0.455 0.000 2.259 370 F HA -0.005 4.522 4.527 -0.001 0.000 0.298 370 F C 0.787 176.520 175.800 -0.112 0.000 1.088 370 F CA 0.747 58.598 58.000 -0.247 0.000 1.358 370 F CB -0.355 38.463 39.000 -0.304 0.000 1.040 370 F HN 0.168 nan 8.300 nan 0.000 0.505 371 N N 0.548 119.289 118.700 0.067 0.000 2.725 371 N HA -0.167 4.572 4.740 -0.001 0.000 0.251 371 N C -1.029 174.447 175.510 -0.056 0.000 1.031 371 N CA 0.452 53.519 53.050 0.028 0.000 0.720 371 N CB -1.514 37.036 38.487 0.105 0.000 0.930 371 N HN 0.040 nan 8.380 nan 0.000 0.543 372 V N 0.624 120.503 119.914 -0.058 0.000 2.656 372 V HA 0.392 4.512 4.120 -0.001 0.000 0.307 372 V C 0.168 176.175 176.094 -0.146 0.000 1.051 372 V CA -0.670 61.545 62.300 -0.143 0.000 0.893 372 V CB 2.444 34.206 31.823 -0.102 0.000 0.999 372 V HN 0.189 nan 8.190 nan 0.000 0.426 373 Q N 3.164 122.827 119.800 -0.228 0.000 2.339 373 Q HA 0.759 5.098 4.340 -0.001 0.000 0.268 373 Q C -0.797 174.949 176.000 -0.423 0.000 1.027 373 Q CA -0.137 55.507 55.803 -0.265 0.000 0.759 373 Q CB 1.639 30.230 28.738 -0.244 0.000 1.244 373 Q HN 0.993 nan 8.270 nan 0.000 0.464 374 A N 4.378 126.932 122.820 -0.444 0.000 2.350 374 A HA 0.892 5.211 4.320 -0.001 0.000 0.324 374 A C -1.226 175.685 177.584 -1.122 0.000 1.118 374 A CA -0.523 51.086 52.037 -0.713 0.000 0.783 374 A CB 1.218 19.971 19.000 -0.412 0.000 1.236 374 A HN 0.802 nan 8.150 nan 0.000 0.457 375 Q N 0.800 119.832 119.800 -1.280 0.000 2.633 375 Q HA 0.523 4.862 4.340 -0.001 0.000 0.289 375 Q C -1.649 173.911 176.000 -0.733 0.000 0.940 375 Q CA -0.815 54.280 55.803 -1.181 0.000 0.785 375 Q CB 0.647 29.062 28.738 -0.539 0.000 1.467 375 Q HN 0.391 nan 8.270 nan 0.000 0.401 376 F N 0.584 120.442 119.950 -0.153 0.000 2.518 376 F HA 0.595 5.121 4.527 -0.001 0.000 0.359 376 F C 1.162 177.008 175.800 0.076 0.000 1.118 376 F CA 1.371 59.411 58.000 0.068 0.000 1.287 376 F CB 0.950 40.049 39.000 0.164 0.000 1.132 376 F HN 0.741 nan 8.300 nan 0.000 0.587 377 G N 0.336 109.319 108.800 0.305 0.000 2.708 377 G HA2 0.621 4.580 3.960 -0.001 0.000 0.289 377 G HA3 0.621 4.580 3.960 -0.001 0.000 0.289 377 G C -1.074 173.832 174.900 0.010 0.000 1.416 377 G CA -0.687 44.532 45.100 0.199 0.000 0.829 377 G HN 0.710 nan 8.290 nan 0.000 0.480 378 T N -1.773 112.708 114.554 -0.121 0.000 2.937 378 T HA 0.464 4.813 4.350 -0.001 0.000 0.283 378 T C 1.292 175.839 174.700 -0.255 0.000 1.012 378 T CA -0.509 61.481 62.100 -0.183 0.000 0.997 378 T CB 1.552 70.327 68.868 -0.154 0.000 1.136 378 T HN 0.502 nan 8.240 nan 0.000 0.551 379 L N 0.625 121.695 121.223 -0.254 0.000 2.017 379 L HA 0.007 4.347 4.340 -0.001 0.000 0.208 379 L C 2.793 179.614 176.870 -0.082 0.000 1.073 379 L CA 2.023 56.736 54.840 -0.212 0.000 0.745 379 L CB -1.190 40.778 42.059 -0.152 0.000 0.894 379 L HN 0.902 nan 8.230 nan 0.000 0.432 380 Q N -0.035 119.751 119.800 -0.023 0.000 2.135 380 Q HA -0.244 4.096 4.340 -0.001 0.000 0.204 380 Q C 2.108 178.043 176.000 -0.108 0.000 0.981 380 Q CA 2.098 57.917 55.803 0.027 0.000 0.856 380 Q CB -0.207 28.523 28.738 -0.013 0.000 0.902 380 Q HN 0.639 nan 8.270 nan 0.000 0.425 381 E N -1.306 118.738 120.200 -0.261 0.000 2.077 381 E HA -0.219 4.131 4.350 -0.001 0.000 0.193 381 E C 1.714 177.869 176.600 -0.741 0.000 0.989 381 E CA 1.148 57.268 56.400 -0.467 0.000 0.800 381 E CB -0.300 29.048 29.700 -0.587 0.000 0.746 381 E HN 0.487 nan 8.360 nan 0.000 0.452 382 Y N 0.601 120.364 120.300 -0.895 0.000 2.097 382 Y HA -0.279 4.271 4.550 -0.001 0.000 0.282 382 Y C 1.896 177.507 175.900 -0.481 0.000 1.152 382 Y CA 1.657 59.271 58.100 -0.809 0.000 1.136 382 Y CB -0.511 37.503 38.460 -0.743 0.000 0.975 382 Y HN -0.057 nan 8.280 nan 0.000 0.498 383 F N 0.952 120.646 119.950 -0.426 0.000 2.171 383 F HA -0.186 4.341 4.527 -0.001 0.000 0.300 383 F C 2.245 177.810 175.800 -0.393 0.000 1.090 383 F CA 1.771 59.494 58.000 -0.461 0.000 1.293 383 F CB -0.858 38.066 39.000 -0.126 0.000 1.013 383 F HN 0.109 nan 8.300 nan 0.000 0.486 384 D N 0.019 120.367 120.400 -0.086 0.000 2.123 384 D HA -0.164 4.475 4.640 -0.001 0.000 0.196 384 D C 2.357 178.582 176.300 -0.125 0.000 0.992 384 D CA 1.519 55.477 54.000 -0.070 0.000 0.833 384 D CB -0.610 40.139 40.800 -0.085 0.000 0.954 384 D HN 0.242 nan 8.370 nan 0.000 0.455 385 A N 0.441 123.129 122.820 -0.220 0.000 1.930 385 A HA -0.096 4.223 4.320 -0.001 0.000 0.217 385 A C 2.514 179.981 177.584 -0.196 0.000 1.175 385 A CA 0.941 52.892 52.037 -0.143 0.000 0.627 385 A CB -0.618 18.375 19.000 -0.013 0.000 0.815 385 A HN 0.139 nan 8.150 nan 0.000 0.443 386 V N -0.126 119.536 119.914 -0.420 0.000 2.343 386 V HA -0.244 3.875 4.120 -0.001 0.000 0.247 386 V C 2.392 178.306 176.094 -0.301 0.000 1.051 386 V CA 2.072 64.125 62.300 -0.412 0.000 1.036 386 V CB -1.004 30.388 31.823 -0.718 0.000 0.654 386 V HN 0.652 nan 8.190 nan 0.000 0.451 387 H N -0.314 118.644 119.070 -0.186 0.000 2.462 387 H HA -0.053 4.503 4.556 -0.001 0.000 0.292 387 H C 2.403 177.696 175.328 -0.057 0.000 1.049 387 H CA 1.225 57.193 56.048 -0.133 0.000 1.334 387 H CB -0.057 29.587 29.762 -0.197 0.000 1.404 387 H HN 0.543 nan 8.280 nan 0.000 0.544 388 Q N 0.425 120.245 119.800 0.033 0.000 2.096 388 Q HA -0.098 4.241 4.340 -0.001 0.000 0.204 388 Q C 2.545 178.565 176.000 0.032 0.000 0.982 388 Q CA 1.482 57.300 55.803 0.024 0.000 0.850 388 Q CB -0.026 28.715 28.738 0.006 0.000 0.901 388 Q HN 0.411 nan 8.270 nan 0.000 0.422 389 A N 0.937 123.772 122.820 0.026 0.000 1.902 389 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 389 A C 1.934 179.549 177.584 0.052 0.000 1.181 389 A CA 1.572 53.637 52.037 0.046 0.000 0.623 389 A CB -0.552 18.479 19.000 0.052 0.000 0.818 389 A HN 0.441 nan 8.150 nan 0.000 0.443 390 E N -0.204 120.045 120.200 0.081 0.000 2.058 390 E HA -0.229 4.121 4.350 -0.001 0.000 0.194 390 E C 2.229 178.866 176.600 0.061 0.000 0.997 390 E CA 1.243 57.697 56.400 0.090 0.000 0.801 390 E CB -0.117 29.744 29.700 0.269 0.000 0.746 390 E HN 0.586 nan 8.360 nan 0.000 0.450 391 R N -0.308 120.232 120.500 0.065 0.000 2.148 391 R HA -0.021 4.319 4.340 -0.001 0.000 0.227 391 R C 2.182 178.499 176.300 0.028 0.000 1.103 391 R CA 0.793 56.917 56.100 0.041 0.000 0.983 391 R CB -0.125 30.195 30.300 0.033 0.000 0.874 391 R HN 0.124 nan 8.270 nan 0.000 0.451 392 A N 0.396 123.233 122.820 0.030 0.000 2.239 392 A HA 0.114 4.434 4.320 -0.001 0.000 0.209 392 A C 1.418 179.012 177.584 0.017 0.000 1.171 392 A CA 0.925 52.978 52.037 0.026 0.000 0.768 392 A CB -0.284 18.738 19.000 0.036 0.000 0.790 392 A HN 0.462 nan 8.150 nan 0.000 0.478 393 G N -1.180 107.626 108.800 0.011 0.000 2.137 393 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.237 393 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.237 393 G C 0.702 175.593 174.900 -0.015 0.000 1.002 393 G CA 0.631 45.728 45.100 -0.005 0.000 0.702 393 G HN 0.568 nan 8.290 nan 0.000 0.515 394 Q N -0.627 119.170 119.800 -0.005 0.000 2.331 394 Q HA 0.497 4.837 4.340 -0.001 0.000 0.203 394 Q C 1.103 177.078 176.000 -0.041 0.000 0.944 394 Q CA 1.387 57.193 55.803 0.004 0.000 0.892 394 Q CB 0.059 28.832 28.738 0.058 0.000 0.983 394 Q HN 1.299 nan 8.270 nan 0.000 0.482 395 A N 0.949 123.701 122.820 -0.114 0.000 2.574 395 A HA 0.446 4.765 4.320 -0.001 0.000 0.297 395 A C -1.535 175.822 177.584 -0.379 0.000 1.062 395 A CA -0.884 50.991 52.037 -0.271 0.000 0.686 395 A CB 1.250 20.016 19.000 -0.389 0.000 1.285 395 A HN 0.286 nan 8.150 nan 0.000 0.403 396 E N 0.987 120.964 120.200 -0.372 0.000 2.212 396 E HA 0.758 5.108 4.350 -0.001 0.000 0.268 396 E C -1.633 174.753 176.600 -0.356 0.000 0.902 396 E CA -0.583 55.645 56.400 -0.288 0.000 0.779 396 E CB 1.725 31.376 29.700 -0.082 0.000 1.172 396 E HN 0.332 nan 8.360 nan 0.000 0.409 397 F N 1.670 121.725 119.950 0.175 0.000 2.450 397 F HA 0.407 4.934 4.527 -0.000 0.000 0.332 397 F C -1.887 174.013 175.800 0.166 0.000 1.093 397 F CA -2.427 55.699 58.000 0.210 0.000 1.003 397 F CB 1.162 40.367 39.000 0.342 0.000 1.151 397 F HN 0.359 nan 8.300 nan 0.000 0.474 398 P HA 0.193 nan 4.420 nan 0.000 0.274 398 P C -0.649 176.789 177.300 0.232 0.000 1.237 398 P CA -0.372 62.858 63.100 0.216 0.000 0.793 398 P CB 0.917 32.712 31.700 0.158 0.000 0.977 399 T N -0.560 114.082 114.554 0.148 0.000 2.907 399 T HA 0.681 5.031 4.350 -0.001 0.000 0.284 399 T C -0.300 174.428 174.700 0.048 0.000 1.004 399 T CA -0.800 61.380 62.100 0.133 0.000 1.063 399 T CB 1.058 69.983 68.868 0.095 0.000 0.992 399 T HN 0.450 nan 8.240 nan 0.000 0.483 400 L N 1.786 123.037 121.223 0.047 0.000 2.445 400 L HA 0.730 5.069 4.340 -0.001 0.000 0.262 400 L C -0.661 176.200 176.870 -0.015 0.000 0.974 400 L CA -0.411 54.346 54.840 -0.138 0.000 0.822 400 L CB 2.203 43.931 42.059 -0.552 0.000 1.339 400 L HN 1.111 nan 8.230 nan 0.000 0.409 401 S N 2.457 118.103 115.700 -0.091 0.000 2.632 401 S HA 1.062 5.532 4.470 -0.001 0.000 0.289 401 S C -0.336 174.188 174.600 -0.127 0.000 1.115 401 S CA -0.023 58.180 58.200 0.006 0.000 0.889 401 S CB 2.064 65.237 63.200 -0.046 0.000 1.116 401 S HN 1.662 nan 8.310 nan 0.000 0.486 402 G N 0.955 109.740 108.800 -0.026 0.000 2.316 402 G HA2 0.334 4.293 3.960 -0.001 0.000 0.349 402 G HA3 0.334 4.293 3.960 -0.001 0.000 0.349 402 G C -1.870 172.934 174.900 -0.160 0.000 1.274 402 G CA -0.001 44.984 45.100 -0.192 0.000 1.018 402 G HN 1.298 nan 8.290 nan 0.000 0.486 403 D N -1.763 118.413 120.400 -0.372 0.000 2.585 403 D HA 0.746 5.386 4.640 -0.001 0.000 0.254 403 D C -0.688 175.154 176.300 -0.763 0.000 1.067 403 D CA -1.048 52.761 54.000 -0.317 0.000 1.090 403 D CB 1.127 41.920 40.800 -0.012 0.000 1.408 403 D HN 0.385 nan 8.370 nan 0.000 0.554 404 F N -0.389 119.433 119.950 -0.214 0.000 2.761 404 F HA 0.399 4.925 4.527 -0.001 0.000 0.367 404 F C -0.894 174.733 175.800 -0.288 0.000 1.386 404 F CA -0.632 57.245 58.000 -0.206 0.000 1.177 404 F CB 0.151 39.065 39.000 -0.145 0.000 1.092 404 F HN 0.001 nan 8.300 nan 0.000 0.517 405 F N -0.701 119.437 119.950 0.314 0.000 2.538 405 F HA 0.564 5.091 4.527 -0.001 0.000 0.325 405 F C 0.648 176.714 175.800 0.443 0.000 1.066 405 F CA -1.404 56.849 58.000 0.422 0.000 0.946 405 F CB 1.471 40.713 39.000 0.404 0.000 1.199 405 F HN -0.290 nan 8.300 nan 0.000 0.473 406 T N 1.666 116.607 114.554 0.646 0.000 2.845 406 T HA 0.157 4.507 4.350 -0.001 0.000 0.288 406 T C -0.960 174.211 174.700 0.785 0.000 0.980 406 T CA -0.183 62.363 62.100 0.744 0.000 1.071 406 T CB 0.171 69.337 68.868 0.496 0.000 0.941 406 T HN 0.373 nan 8.240 nan 0.000 0.487 407 Y N 2.930 123.565 120.300 0.559 0.000 2.511 407 Y HA 0.418 4.968 4.550 -0.001 0.000 0.332 407 Y C -0.127 175.836 175.900 0.105 0.000 1.177 407 Y CA -1.053 57.206 58.100 0.265 0.000 1.422 407 Y CB 0.097 38.590 38.460 0.054 0.000 1.271 407 Y HN 0.677 nan 8.280 nan 0.000 0.550 408 A N 5.152 127.549 122.820 -0.705 0.000 2.374 408 A HA 0.367 4.687 4.320 -0.001 0.000 0.305 408 A C -0.014 176.953 177.584 -1.028 0.000 1.053 408 A CA -0.281 51.172 52.037 -0.973 0.000 0.726 408 A CB 0.705 18.891 19.000 -1.356 0.000 1.229 408 A HN 0.807 nan 8.150 nan 0.000 0.431 409 D N 1.476 121.430 120.400 -0.745 0.000 2.305 409 D HA 0.042 4.682 4.640 -0.001 0.000 0.206 409 D C 0.543 176.851 176.300 0.013 0.000 0.974 409 D CA 0.610 54.420 54.000 -0.317 0.000 0.871 409 D CB 0.140 40.879 40.800 -0.102 0.000 0.947 409 D HN 0.722 nan 8.370 nan 0.000 0.516 410 R N -2.201 118.256 120.500 -0.071 0.000 2.687 410 R HA 0.423 4.763 4.340 -0.001 0.000 0.265 410 R C -0.162 176.045 176.300 -0.155 0.000 1.048 410 R CA -0.231 55.689 56.100 -0.301 0.000 0.884 410 R CB 0.920 31.111 30.300 -0.182 0.000 1.258 410 R HN -0.103 nan 8.270 nan 0.000 0.469 411 S N 0.292 115.856 115.700 -0.226 0.000 3.938 411 S HA -0.291 4.178 4.470 -0.001 0.000 0.624 411 S C 0.408 175.090 174.600 0.137 0.000 2.186 411 S CA 1.925 60.127 58.200 0.003 0.000 4.144 411 S CB -1.071 62.113 63.200 -0.026 0.000 0.230 411 S HN 1.086 nan 8.310 nan 0.000 0.755 412 D N 1.383 121.851 120.400 0.113 0.000 2.427 412 D HA 0.195 4.835 4.640 -0.001 0.000 0.224 412 D C 0.054 176.456 176.300 0.169 0.000 1.157 412 D CA -0.127 54.000 54.000 0.213 0.000 0.828 412 D CB -1.438 39.479 40.800 0.195 0.000 0.974 412 D HN 0.504 nan 8.370 nan 0.000 0.498 413 N N 0.944 119.649 118.700 0.009 0.000 2.739 413 N HA 0.049 4.789 4.740 -0.001 0.000 0.266 413 N C -0.916 174.616 175.510 0.038 0.000 1.168 413 N CA -0.295 52.767 53.050 0.022 0.000 1.055 413 N CB 0.141 38.629 38.487 0.002 0.000 1.393 413 N HN 0.147 nan 8.380 nan 0.000 0.514 414 Y N 0.172 120.565 120.300 0.155 0.000 2.316 414 Y HA 0.114 4.664 4.550 -0.001 0.000 0.331 414 Y C 0.097 176.200 175.900 0.338 0.000 1.083 414 Y CA -0.660 57.594 58.100 0.257 0.000 1.206 414 Y CB 0.605 39.163 38.460 0.163 0.000 1.195 414 Y HN 0.386 nan 8.280 nan 0.000 0.497 415 W N 2.537 123.972 121.300 0.226 0.000 1.603 415 W HA 0.234 4.894 4.660 -0.001 0.000 0.392 415 W C 0.747 177.307 176.519 0.068 0.000 0.661 415 W CA -0.596 56.906 57.345 0.262 0.000 2.021 415 W CB -0.395 29.323 29.460 0.430 0.000 1.759 415 W HN 0.543 nan 8.180 nan 0.000 0.334 416 S N -2.066 113.661 115.700 0.046 0.000 2.540 416 S HA 0.149 4.618 4.470 -0.001 0.000 0.218 416 S C 1.891 176.215 174.600 -0.460 0.000 0.977 416 S CA 0.276 58.134 58.200 -0.571 0.000 0.918 416 S CB 0.267 63.451 63.200 -0.027 0.000 0.806 416 S HN 0.340 nan 8.310 nan 0.000 0.496 417 G N 1.989 110.716 108.800 -0.123 0.000 2.408 417 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.217 417 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.217 417 G C 1.245 176.113 174.900 -0.052 0.000 1.150 417 G CA 0.851 45.888 45.100 -0.106 0.000 0.776 417 G HN 0.785 nan 8.290 nan 0.000 0.542 418 Y N -0.375 119.887 120.300 -0.063 0.000 2.616 418 Y HA 0.116 4.665 4.550 -0.001 0.000 0.296 418 Y C 1.866 177.878 175.900 0.187 0.000 1.154 418 Y CA -0.267 57.871 58.100 0.063 0.000 1.325 418 Y CB -0.402 38.170 38.460 0.188 0.000 1.007 418 Y HN 0.181 nan 8.280 nan 0.000 0.542 419 Y N 0.658 120.728 120.300 -0.383 0.000 2.483 419 Y HA -0.056 4.493 4.550 -0.001 0.000 0.291 419 Y C 1.780 177.628 175.900 -0.087 0.000 1.143 419 Y CA 0.754 58.672 58.100 -0.304 0.000 1.289 419 Y CB -0.817 37.505 38.460 -0.230 0.000 0.983 419 Y HN 0.296 nan 8.280 nan 0.000 0.556 420 T N -2.671 111.947 114.554 0.106 0.000 2.954 420 T HA 0.086 4.435 4.350 -0.001 0.000 0.252 420 T C 0.709 175.494 174.700 0.141 0.000 0.983 420 T CA -0.066 62.099 62.100 0.109 0.000 0.941 420 T CB 0.031 68.933 68.868 0.057 0.000 1.141 420 T HN -0.053 nan 8.240 nan 0.000 0.500 421 S N 2.471 118.251 115.700 0.133 0.000 2.558 421 S HA 0.202 4.672 4.470 -0.001 0.000 0.293 421 S C 0.408 175.140 174.600 0.220 0.000 1.292 421 S CA -0.021 58.270 58.200 0.151 0.000 1.063 421 S CB 0.100 63.374 63.200 0.123 0.000 0.831 421 S HN 0.397 nan 8.310 nan 0.000 0.499 422 R N 1.007 121.654 120.500 0.245 0.000 3.209 422 R HA -0.120 4.220 4.340 -0.001 0.000 0.252 422 R C -1.998 174.547 176.300 0.410 0.000 0.958 422 R CA 0.684 57.004 56.100 0.367 0.000 0.651 422 R CB -1.811 28.736 30.300 0.412 0.000 1.142 422 R HN 0.510 nan 8.270 nan 0.000 0.441 423 P HA -0.216 nan 4.420 nan 0.000 0.223 423 P C 1.116 178.624 177.300 0.347 0.000 1.151 423 P CA 0.939 64.255 63.100 0.359 0.000 0.787 423 P CB -0.017 31.939 31.700 0.426 0.000 0.788 424 Y N 1.492 121.877 120.300 0.142 0.000 2.165 424 Y HA -0.257 4.293 4.550 -0.001 0.000 0.286 424 Y C 2.272 178.158 175.900 -0.023 0.000 1.155 424 Y CA 2.068 60.173 58.100 0.009 0.000 1.164 424 Y CB -0.915 37.423 38.460 -0.203 0.000 0.978 424 Y HN 0.062 nan 8.280 nan 0.000 0.513 425 H N -0.856 118.462 119.070 0.413 0.000 2.436 425 H HA 0.020 4.575 4.556 -0.001 0.000 0.294 425 H C 2.041 177.517 175.328 0.247 0.000 1.048 425 H CA 1.270 57.485 56.048 0.279 0.000 1.353 425 H CB -0.068 29.926 29.762 0.386 0.000 1.414 425 H HN 0.242 nan 8.280 nan 0.000 0.536 426 K N 0.373 120.992 120.400 0.365 0.000 2.057 426 K HA -0.165 4.155 4.320 -0.001 0.000 0.207 426 K C 2.242 178.899 176.600 0.095 0.000 1.049 426 K CA 1.267 57.707 56.287 0.255 0.000 0.931 426 K CB 0.055 32.684 32.500 0.215 0.000 0.714 426 K HN 0.027 nan 8.250 nan 0.000 0.440 427 R N 1.380 121.907 120.500 0.045 0.000 2.075 427 R HA -0.004 4.336 4.340 -0.001 0.000 0.232 427 R C 2.058 178.119 176.300 -0.398 0.000 1.126 427 R CA 1.419 57.474 56.100 -0.077 0.000 0.963 427 R CB -0.403 29.942 30.300 0.075 0.000 0.858 427 R HN 0.166 nan 8.270 nan 0.000 0.435 428 M N 0.235 119.470 119.600 -0.607 0.000 2.149 428 M HA -0.195 4.284 4.480 -0.001 0.000 0.261 428 M C 1.409 177.391 176.300 -0.531 0.000 1.064 428 M CA 2.381 57.083 55.300 -0.996 0.000 1.102 428 M CB -0.303 31.881 32.600 -0.694 0.000 1.369 428 M HN 0.276 nan 8.290 nan 0.000 0.408 429 D N -0.219 120.051 120.400 -0.217 0.000 2.133 429 D HA -0.219 4.421 4.640 -0.001 0.000 0.195 429 D C 1.889 178.110 176.300 -0.132 0.000 0.997 429 D CA 1.437 55.407 54.000 -0.049 0.000 0.840 429 D CB 0.130 41.050 40.800 0.200 0.000 0.947 429 D HN 0.218 nan 8.370 nan 0.000 0.452 430 R N -0.010 120.387 120.500 -0.171 0.000 2.115 430 R HA 0.016 4.355 4.340 -0.001 0.000 0.226 430 R C 2.401 178.556 176.300 -0.241 0.000 1.100 430 R CA 0.370 56.361 56.100 -0.182 0.000 0.980 430 R CB -0.826 29.384 30.300 -0.150 0.000 0.875 430 R HN 0.261 nan 8.270 nan 0.000 0.445 431 V N 1.485 121.188 119.914 -0.352 0.000 2.307 431 V HA -0.210 3.910 4.120 -0.001 0.000 0.245 431 V C 2.340 178.318 176.094 -0.193 0.000 1.045 431 V CA 1.460 63.548 62.300 -0.355 0.000 1.024 431 V CB -0.546 30.866 31.823 -0.685 0.000 0.651 431 V HN 0.136 nan 8.190 nan 0.000 0.449 432 L N -0.386 120.706 121.223 -0.218 0.000 2.093 432 L HA -0.127 4.213 4.340 -0.001 0.000 0.208 432 L C 2.303 179.117 176.870 -0.092 0.000 1.085 432 L CA 1.970 56.752 54.840 -0.097 0.000 0.755 432 L CB -0.659 41.316 42.059 -0.140 0.000 0.904 432 L HN 0.324 nan 8.230 nan 0.000 0.435 433 M N -1.220 118.297 119.600 -0.138 0.000 2.082 433 M HA -0.338 4.142 4.480 -0.001 0.000 0.258 433 M C 2.380 178.573 176.300 -0.177 0.000 1.069 433 M CA 2.441 57.643 55.300 -0.164 0.000 1.102 433 M CB -0.420 32.050 32.600 -0.217 0.000 1.336 433 M HN 0.567 nan 8.290 nan 0.000 0.404 434 H N -0.733 118.171 119.070 -0.276 0.000 2.357 434 H HA -0.164 4.392 4.556 -0.001 0.000 0.301 434 H C 1.417 176.592 175.328 -0.255 0.000 1.082 434 H CA 2.372 58.230 56.048 -0.315 0.000 1.342 434 H CB -0.326 29.167 29.762 -0.449 0.000 1.389 434 H HN 0.489 nan 8.280 nan 0.000 0.511 435 Y N -0.606 119.559 120.300 -0.224 0.000 2.293 435 Y HA -0.104 4.445 4.550 -0.001 0.000 0.291 435 Y C 2.668 178.450 175.900 -0.197 0.000 1.137 435 Y CA 1.001 58.971 58.100 -0.217 0.000 1.202 435 Y CB -0.423 37.974 38.460 -0.105 0.000 0.990 435 Y HN 0.124 nan 8.280 nan 0.000 0.537 436 V N 0.089 119.972 119.914 -0.051 0.000 2.307 436 V HA -0.279 3.841 4.120 -0.001 0.000 0.245 436 V C 2.535 178.564 176.094 -0.109 0.000 1.045 436 V CA 2.075 64.329 62.300 -0.078 0.000 1.024 436 V CB -0.541 31.227 31.823 -0.092 0.000 0.651 436 V HN 0.294 nan 8.190 nan 0.000 0.449 437 R N 0.461 120.863 120.500 -0.163 0.000 2.083 437 R HA -0.184 4.156 4.340 -0.001 0.000 0.237 437 R C 2.251 178.488 176.300 -0.107 0.000 1.137 437 R CA 1.910 57.923 56.100 -0.145 0.000 0.951 437 R CB -0.482 29.714 30.300 -0.173 0.000 0.851 437 R HN 0.460 nan 8.270 nan 0.000 0.434 438 A N 0.678 123.391 122.820 -0.179 0.000 1.898 438 A HA -0.047 4.272 4.320 -0.001 0.000 0.216 438 A C 2.379 179.972 177.584 0.014 0.000 1.181 438 A CA 1.571 53.598 52.037 -0.016 0.000 0.620 438 A CB -0.747 18.222 19.000 -0.051 0.000 0.819 438 A HN 0.570 nan 8.150 nan 0.000 0.442 439 A N -0.149 122.668 122.820 -0.006 0.000 1.902 439 A HA -0.165 4.154 4.320 -0.001 0.000 0.217 439 A C 1.941 179.497 177.584 -0.047 0.000 1.181 439 A CA 1.593 53.620 52.037 -0.017 0.000 0.623 439 A CB -0.509 18.474 19.000 -0.029 0.000 0.818 439 A HN 0.626 nan 8.150 nan 0.000 0.443 440 E N -1.004 119.160 120.200 -0.060 0.000 2.072 440 E HA -0.193 4.156 4.350 -0.001 0.000 0.191 440 E C 2.072 178.619 176.600 -0.088 0.000 0.985 440 E CA 1.335 57.687 56.400 -0.081 0.000 0.801 440 E CB -0.256 29.393 29.700 -0.085 0.000 0.750 440 E HN 0.750 nan 8.360 nan 0.000 0.452 441 M N 0.750 120.319 119.600 -0.051 0.000 2.099 441 M HA -0.146 4.333 4.480 -0.001 0.000 0.262 441 M C 2.175 178.472 176.300 -0.005 0.000 1.067 441 M CA 1.329 56.595 55.300 -0.056 0.000 1.124 441 M CB 0.031 32.692 32.600 0.101 0.000 1.353 441 M HN 0.076 nan 8.290 nan 0.000 0.410 442 L N 0.099 121.386 121.223 0.106 0.000 2.079 442 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 442 L C 2.626 179.665 176.870 0.281 0.000 1.081 442 L CA 1.755 56.719 54.840 0.207 0.000 0.752 442 L CB -0.547 41.497 42.059 -0.024 0.000 0.896 442 L HN 0.515 nan 8.230 nan 0.000 0.433 443 S N -1.012 114.773 115.700 0.143 0.000 2.527 443 S HA 0.069 4.539 4.470 -0.001 0.000 0.222 443 S C 1.969 176.743 174.600 0.291 0.000 0.985 443 S CA 0.383 58.740 58.200 0.262 0.000 0.921 443 S CB 0.009 63.177 63.200 -0.054 0.000 0.772 443 S HN 0.298 nan 8.310 nan 0.000 0.529 444 A N 0.926 123.742 122.820 -0.007 0.000 2.015 444 A HA 0.090 4.410 4.320 -0.001 0.000 0.219 444 A C 1.697 179.179 177.584 -0.170 0.000 1.163 444 A CA 0.763 52.697 52.037 -0.172 0.000 0.646 444 A CB -1.168 17.577 19.000 -0.425 0.000 0.806 444 A HN 0.759 nan 8.150 nan 0.000 0.448 445 W N -0.644 120.666 121.300 0.017 0.000 2.392 445 W HA -0.016 4.643 4.660 -0.001 0.000 0.279 445 W C 0.836 177.126 176.519 -0.382 0.000 1.225 445 W CA 0.968 58.221 57.345 -0.155 0.000 1.233 445 W CB -0.144 29.188 29.460 -0.212 0.000 1.122 445 W HN 0.393 nan 8.180 nan 0.000 0.561 446 H N -2.253 116.872 119.070 0.092 0.000 2.731 446 H HA 0.367 4.922 4.556 -0.001 0.000 0.368 446 H C -0.305 174.919 175.328 -0.173 0.000 1.168 446 H CA -0.910 55.031 56.048 -0.179 0.000 1.181 446 H CB 1.608 31.013 29.762 -0.595 0.000 1.743 446 H HN -0.432 nan 8.280 nan 0.000 0.547 447 S N 0.950 116.609 115.700 -0.068 0.000 2.545 447 S HA 0.181 4.651 4.470 -0.001 0.000 0.275 447 S C -1.097 173.401 174.600 -0.170 0.000 1.299 447 S CA -0.555 57.627 58.200 -0.029 0.000 1.048 447 S CB 0.207 63.401 63.200 -0.011 0.000 0.938 447 S HN 0.331 nan 8.310 nan 0.000 0.496 448 W N 1.530 122.831 121.300 0.001 0.000 2.632 448 W HA 0.337 4.996 4.660 -0.001 0.000 0.328 448 W C 0.043 176.519 176.519 -0.071 0.000 1.044 448 W CA -0.892 56.425 57.345 -0.048 0.000 1.225 448 W CB 0.568 29.963 29.460 -0.108 0.000 1.396 448 W HN 0.584 nan 8.180 nan 0.000 0.499 449 D N 0.897 121.379 120.400 0.136 0.000 2.478 449 D HA 0.106 4.746 4.640 -0.001 0.000 0.234 449 D C 1.662 177.972 176.300 0.017 0.000 1.154 449 D CA 1.270 55.318 54.000 0.080 0.000 0.874 449 D CB 1.166 42.044 40.800 0.129 0.000 1.198 449 D HN 0.566 nan 8.370 nan 0.000 0.455 450 G N 2.849 111.666 108.800 0.029 0.000 2.462 450 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.220 450 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.220 450 G C 1.291 176.179 174.900 -0.020 0.000 1.121 450 G CA 0.399 45.503 45.100 0.007 0.000 0.758 450 G HN 0.474 nan 8.290 nan 0.000 0.559 451 M N 1.002 120.604 119.600 0.004 0.000 2.460 451 M HA 0.119 4.598 4.480 -0.001 0.000 0.263 451 M C 2.741 178.998 176.300 -0.072 0.000 1.071 451 M CA 0.722 56.052 55.300 0.050 0.000 1.096 451 M CB -0.804 31.919 32.600 0.206 0.000 1.408 451 M HN 0.314 nan 8.290 nan 0.000 0.463 452 A N -0.136 122.413 122.820 -0.452 0.000 2.119 452 A HA -0.022 4.297 4.320 -0.001 0.000 0.216 452 A C 1.254 178.648 177.584 -0.317 0.000 1.152 452 A CA 0.381 51.946 52.037 -0.787 0.000 0.708 452 A CB -0.292 18.026 19.000 -1.136 0.000 0.805 452 A HN 0.580 nan 8.150 nan 0.000 0.460 453 R N -1.745 118.640 120.500 -0.192 0.000 3.770 453 R HA -0.173 4.167 4.340 -0.001 0.000 0.305 453 R C 0.678 176.875 176.300 -0.172 0.000 1.184 453 R CA 0.739 56.766 56.100 -0.122 0.000 0.823 453 R CB -2.162 28.099 30.300 -0.065 0.000 1.285 453 R HN 0.481 nan 8.270 nan 0.000 0.499 454 I N 0.503 120.918 120.570 -0.258 0.000 2.163 454 I HA -0.186 3.984 4.170 -0.001 0.000 0.240 454 I C 2.109 178.107 176.117 -0.199 0.000 1.081 454 I CA 1.675 62.776 61.300 -0.332 0.000 1.353 454 I CB -0.642 37.010 38.000 -0.579 0.000 1.054 454 I HN 0.206 nan 8.210 nan 0.000 0.407 455 E N 0.749 120.870 120.200 -0.132 0.000 2.110 455 E HA -0.236 4.114 4.350 -0.001 0.000 0.193 455 E C 2.083 178.640 176.600 -0.072 0.000 0.988 455 E CA 1.185 57.535 56.400 -0.084 0.000 0.804 455 E CB -0.234 29.440 29.700 -0.042 0.000 0.745 455 E HN 0.472 nan 8.360 nan 0.000 0.458 456 E N 0.455 120.616 120.200 -0.065 0.000 2.038 456 E HA -0.255 4.095 4.350 -0.001 0.000 0.195 456 E C 1.929 178.490 176.600 -0.065 0.000 1.000 456 E CA 1.094 57.464 56.400 -0.049 0.000 0.803 456 E CB 0.094 29.773 29.700 -0.036 0.000 0.750 456 E HN -0.027 nan 8.360 nan 0.000 0.448 457 R N 0.261 120.709 120.500 -0.086 0.000 2.092 457 R HA 0.000 4.340 4.340 -0.001 0.000 0.231 457 R C 2.374 178.618 176.300 -0.093 0.000 1.119 457 R CA 0.867 56.915 56.100 -0.086 0.000 0.970 457 R CB -0.442 29.797 30.300 -0.100 0.000 0.864 457 R HN 0.282 nan 8.270 nan 0.000 0.440 458 L N -0.194 120.965 121.223 -0.107 0.000 2.109 458 L HA -0.099 4.241 4.340 -0.001 0.000 0.207 458 L C 2.354 179.161 176.870 -0.104 0.000 1.086 458 L CA 1.368 56.145 54.840 -0.106 0.000 0.760 458 L CB -0.385 41.607 42.059 -0.111 0.000 0.910 458 L HN 0.291 nan 8.230 nan 0.000 0.437 459 E N 0.127 120.269 120.200 -0.097 0.000 2.072 459 E HA -0.296 4.053 4.350 -0.001 0.000 0.191 459 E C 2.201 178.724 176.600 -0.129 0.000 0.985 459 E CA 1.218 57.551 56.400 -0.111 0.000 0.801 459 E CB 0.014 29.669 29.700 -0.075 0.000 0.750 459 E HN 0.418 nan 8.360 nan 0.000 0.452 460 Q N 0.069 119.813 119.800 -0.094 0.000 2.061 460 Q HA -0.225 4.115 4.340 -0.001 0.000 0.204 460 Q C 2.088 178.033 176.000 -0.092 0.000 0.984 460 Q CA 1.769 57.524 55.803 -0.081 0.000 0.846 460 Q CB -0.243 28.462 28.738 -0.055 0.000 0.902 460 Q HN 0.348 nan 8.270 nan 0.000 0.421 461 A N 0.988 123.754 122.820 -0.090 0.000 1.902 461 A HA -0.173 4.147 4.320 -0.001 0.000 0.217 461 A C 2.088 179.607 177.584 -0.109 0.000 1.181 461 A CA 1.414 53.399 52.037 -0.086 0.000 0.623 461 A CB -0.501 18.452 19.000 -0.079 0.000 0.818 461 A HN 0.381 nan 8.150 nan 0.000 0.443 462 R N -0.744 119.671 120.500 -0.141 0.000 2.096 462 R HA -0.100 4.239 4.340 -0.001 0.000 0.235 462 R C 2.425 178.571 176.300 -0.257 0.000 1.127 462 R CA 1.622 57.613 56.100 -0.181 0.000 0.968 462 R CB -0.269 29.910 30.300 -0.201 0.000 0.861 462 R HN 0.492 nan 8.270 nan 0.000 0.440 463 R N 0.196 120.512 120.500 -0.308 0.000 2.090 463 R HA -0.058 4.281 4.340 -0.001 0.000 0.228 463 R C 2.062 178.280 176.300 -0.137 0.000 1.110 463 R CA 0.859 56.703 56.100 -0.427 0.000 0.973 463 R CB 0.035 30.092 30.300 -0.406 0.000 0.869 463 R HN 0.192 nan 8.270 nan 0.000 0.440 464 E N 0.829 120.988 120.200 -0.068 0.000 2.072 464 E HA -0.162 4.188 4.350 -0.001 0.000 0.190 464 E C 1.977 178.601 176.600 0.040 0.000 0.982 464 E CA 0.737 57.144 56.400 0.012 0.000 0.803 464 E CB -0.223 29.477 29.700 0.001 0.000 0.755 464 E HN 0.141 nan 8.360 nan 0.000 0.453 465 L N 1.295 122.512 121.223 -0.011 0.000 2.046 465 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 465 L C 2.159 179.066 176.870 0.060 0.000 1.077 465 L CA 1.608 56.461 54.840 0.021 0.000 0.747 465 L CB -0.601 41.438 42.059 -0.034 0.000 0.896 465 L HN -0.094 nan 8.230 nan 0.000 0.432 466 S N -0.455 115.244 115.700 -0.002 0.000 2.368 466 S HA -0.174 4.296 4.470 -0.001 0.000 0.225 466 S C 1.841 176.567 174.600 0.209 0.000 1.030 466 S CA 1.486 59.716 58.200 0.049 0.000 0.999 466 S CB -0.574 62.552 63.200 -0.122 0.000 0.844 466 S HN 0.466 nan 8.310 nan 0.000 0.459 467 L N 0.707 122.091 121.223 0.268 0.000 2.042 467 L HA -0.037 4.303 4.340 -0.001 0.000 0.210 467 L C 1.854 178.822 176.870 0.165 0.000 1.076 467 L CA 1.670 56.672 54.840 0.270 0.000 0.749 467 L CB -0.601 41.590 42.059 0.219 0.000 0.893 467 L HN 0.298 nan 8.230 nan 0.000 0.432 468 F N -0.389 119.527 119.950 -0.056 0.000 2.604 468 F HA -0.094 4.433 4.527 -0.001 0.000 0.298 468 F C 2.122 177.843 175.800 -0.131 0.000 1.131 468 F CA 0.728 58.589 58.000 -0.232 0.000 1.457 468 F CB -0.198 38.698 39.000 -0.174 0.000 1.095 468 F HN 0.248 nan 8.300 nan 0.000 0.574 469 Q N -0.420 119.348 119.800 -0.053 0.000 2.488 469 Q HA -0.125 4.215 4.340 -0.001 0.000 0.211 469 Q C 0.494 176.436 176.000 -0.097 0.000 0.967 469 Q CA 0.379 56.126 55.803 -0.094 0.000 0.926 469 Q CB -1.268 27.481 28.738 0.019 0.000 0.992 469 Q HN 0.502 nan 8.270 nan 0.000 0.506 470 H N 2.003 120.961 119.070 -0.188 0.000 3.073 470 H HA -0.115 4.441 4.556 -0.001 0.000 0.340 470 H C 1.298 176.463 175.328 -0.272 0.000 1.054 470 H CA 0.716 56.646 56.048 -0.197 0.000 1.372 470 H CB 0.569 30.230 29.762 -0.169 0.000 1.314 470 H HN 0.236 nan 8.280 nan 0.000 0.603 471 H N 2.083 120.744 119.070 -0.683 0.000 2.562 471 H HA -0.005 4.550 4.556 -0.001 0.000 0.272 471 H C -0.361 174.492 175.328 -0.792 0.000 1.019 471 H CA 0.715 56.302 56.048 -0.769 0.000 1.160 471 H CB 0.250 29.551 29.762 -0.769 0.000 1.334 471 H HN 0.619 nan 8.280 nan 0.000 0.611 472 D N 0.351 120.001 120.400 -1.250 0.000 2.513 472 D HA 0.127 4.766 4.640 -0.001 0.000 0.222 472 D C 1.573 177.823 176.300 -0.084 0.000 1.210 472 D CA 0.278 54.084 54.000 -0.324 0.000 0.825 472 D CB 0.859 41.701 40.800 0.070 0.000 1.037 472 D HN 0.521 nan 8.370 nan 0.000 0.506 473 G N 1.329 109.878 108.800 -0.418 0.000 2.618 473 G HA2 -0.009 3.950 3.960 -0.001 0.000 0.222 473 G HA3 -0.009 3.950 3.960 -0.001 0.000 0.222 473 G C 1.353 175.643 174.900 -1.016 0.000 1.520 473 G CA -0.201 44.399 45.100 -0.833 0.000 0.930 473 G HN 0.195 nan 8.290 nan 0.000 0.547 474 I N 1.962 121.678 120.570 -1.422 0.000 2.423 474 I HA -0.189 3.981 4.170 -0.001 0.000 0.254 474 I C 2.910 178.918 176.117 -0.182 0.000 1.151 474 I CA 2.098 62.857 61.300 -0.901 0.000 1.421 474 I CB -0.049 37.609 38.000 -0.570 0.000 1.079 474 I HN 0.382 nan 8.210 nan 0.000 0.431 475 T N -1.677 112.820 114.554 -0.095 0.000 3.007 475 T HA 0.014 4.364 4.350 -0.001 0.000 0.270 475 T C 1.559 176.390 174.700 0.219 0.000 1.107 475 T CA 0.683 62.915 62.100 0.220 0.000 1.118 475 T CB -0.511 68.484 68.868 0.213 0.000 0.889 475 T HN 0.648 nan 8.240 nan 0.000 0.506 476 G N 1.343 110.226 108.800 0.138 0.000 2.160 476 G HA2 -0.261 3.699 3.960 -0.001 0.000 0.244 476 G HA3 -0.261 3.699 3.960 -0.001 0.000 0.244 476 G C 0.550 175.516 174.900 0.111 0.000 1.022 476 G CA 0.608 45.816 45.100 0.179 0.000 0.741 476 G HN 1.151 nan 8.290 nan 0.000 0.508 477 T N -3.187 111.420 114.554 0.087 0.000 3.215 477 T HA 0.741 5.091 4.350 -0.001 0.000 0.271 477 T C 0.822 175.706 174.700 0.307 0.000 1.012 477 T CA 1.010 63.096 62.100 -0.023 0.000 0.899 477 T CB 1.009 69.658 68.868 -0.365 0.000 1.089 477 T HN 1.571 nan 8.240 nan 0.000 0.552 478 A N 1.283 124.304 122.820 0.336 0.000 2.281 478 A HA 0.691 5.010 4.320 -0.001 0.000 0.329 478 A C 0.186 177.879 177.584 0.182 0.000 1.122 478 A CA -0.969 51.307 52.037 0.399 0.000 0.850 478 A CB 0.881 20.149 19.000 0.446 0.000 1.207 478 A HN 0.401 nan 8.150 nan 0.000 0.495 479 K N -0.104 120.337 120.400 0.069 0.000 2.336 479 K HA 0.117 4.437 4.320 -0.001 0.000 0.262 479 K C 1.079 177.692 176.600 0.020 0.000 0.992 479 K CA 0.417 56.718 56.287 0.024 0.000 0.927 479 K CB 0.305 32.812 32.500 0.012 0.000 0.956 479 K HN 0.736 nan 8.250 nan 0.000 0.495 480 T N 1.395 115.990 114.554 0.069 0.000 2.653 480 T HA -0.207 4.143 4.350 -0.001 0.000 0.268 480 T C 1.667 176.403 174.700 0.060 0.000 1.035 480 T CA 1.866 64.009 62.100 0.072 0.000 1.154 480 T CB -0.416 68.503 68.868 0.084 0.000 0.862 480 T HN 0.693 nan 8.240 nan 0.000 0.441 481 H N 0.463 119.527 119.070 -0.010 0.000 2.495 481 H HA 0.105 4.660 4.556 -0.001 0.000 0.287 481 H C 1.999 177.300 175.328 -0.045 0.000 1.033 481 H CA 0.829 56.863 56.048 -0.024 0.000 1.307 481 H CB -0.723 29.018 29.762 -0.036 0.000 1.401 481 H HN 0.278 nan 8.280 nan 0.000 0.555 482 V N 1.126 120.691 119.914 -0.582 0.000 2.488 482 V HA -0.156 3.963 4.120 -0.001 0.000 0.246 482 V C 2.998 178.911 176.094 -0.303 0.000 1.046 482 V CA 1.032 63.020 62.300 -0.519 0.000 1.053 482 V CB -0.361 31.207 31.823 -0.426 0.000 0.679 482 V HN 0.232 nan 8.190 nan 0.000 0.458 483 V N 0.029 119.898 119.914 -0.075 0.000 2.332 483 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 483 V C 2.465 178.545 176.094 -0.023 0.000 1.055 483 V CA 1.921 64.234 62.300 0.023 0.000 1.038 483 V CB -0.536 31.263 31.823 -0.041 0.000 0.651 483 V HN 0.417 nan 8.190 nan 0.000 0.450 484 V N 0.446 120.354 119.914 -0.010 0.000 2.343 484 V HA -0.314 3.805 4.120 -0.001 0.000 0.247 484 V C 2.307 178.422 176.094 0.035 0.000 1.051 484 V CA 2.470 64.795 62.300 0.041 0.000 1.036 484 V CB -0.700 31.156 31.823 0.054 0.000 0.654 484 V HN 0.648 nan 8.190 nan 0.000 0.451 485 D N -1.079 119.297 120.400 -0.040 0.000 2.117 485 D HA -0.206 4.433 4.640 -0.001 0.000 0.197 485 D C 1.999 178.316 176.300 0.028 0.000 0.987 485 D CA 1.498 55.471 54.000 -0.045 0.000 0.829 485 D CB -0.158 40.554 40.800 -0.146 0.000 0.961 485 D HN 0.495 nan 8.370 nan 0.000 0.460 486 Y N 0.923 121.265 120.300 0.070 0.000 2.224 486 Y HA -0.045 4.504 4.550 -0.001 0.000 0.289 486 Y C 2.417 178.302 175.900 -0.026 0.000 1.146 486 Y CA 1.217 59.355 58.100 0.064 0.000 1.182 486 Y CB -0.742 37.828 38.460 0.184 0.000 0.983 486 Y HN 0.148 nan 8.280 nan 0.000 0.524 487 E N 0.109 120.419 120.200 0.184 0.000 2.077 487 E HA -0.250 4.099 4.350 -0.001 0.000 0.193 487 E C 1.982 178.670 176.600 0.147 0.000 0.989 487 E CA 1.401 57.927 56.400 0.210 0.000 0.800 487 E CB -0.039 29.864 29.700 0.339 0.000 0.746 487 E HN 0.569 nan 8.360 nan 0.000 0.452 488 Q N -0.081 119.790 119.800 0.119 0.000 2.084 488 Q HA -0.153 4.186 4.340 -0.001 0.000 0.202 488 Q C 2.321 178.363 176.000 0.070 0.000 0.978 488 Q CA 1.347 57.203 55.803 0.088 0.000 0.844 488 Q CB -0.070 28.710 28.738 0.070 0.000 0.898 488 Q HN 0.194 nan 8.270 nan 0.000 0.426 489 R N 0.073 120.619 120.500 0.077 0.000 2.081 489 R HA -0.054 4.285 4.340 -0.001 0.000 0.235 489 R C 2.261 178.580 176.300 0.032 0.000 1.131 489 R CA 1.397 57.534 56.100 0.061 0.000 0.960 489 R CB -0.150 30.209 30.300 0.098 0.000 0.856 489 R HN 0.289 nan 8.270 nan 0.000 0.436 490 M N -0.026 119.583 119.600 0.014 0.000 2.229 490 M HA -0.157 4.322 4.480 -0.001 0.000 0.264 490 M C 2.283 178.580 176.300 -0.005 0.000 1.063 490 M CA 1.310 56.587 55.300 -0.038 0.000 1.114 490 M CB -0.117 32.401 32.600 -0.137 0.000 1.387 490 M HN 0.037 nan 8.290 nan 0.000 0.420 491 Q N 0.994 120.822 119.800 0.047 0.000 2.084 491 Q HA -0.171 4.169 4.340 -0.001 0.000 0.202 491 Q C 1.734 177.748 176.000 0.023 0.000 0.978 491 Q CA 1.650 57.491 55.803 0.062 0.000 0.844 491 Q CB -0.107 28.687 28.738 0.094 0.000 0.898 491 Q HN 0.317 nan 8.270 nan 0.000 0.426 492 E N -0.086 120.125 120.200 0.018 0.000 2.110 492 E HA -0.148 4.202 4.350 -0.001 0.000 0.193 492 E C 1.821 178.409 176.600 -0.019 0.000 0.988 492 E CA 1.229 57.629 56.400 0.001 0.000 0.804 492 E CB -0.518 29.186 29.700 0.006 0.000 0.745 492 E HN 0.466 nan 8.360 nan 0.000 0.458 493 A N 1.045 123.851 122.820 -0.023 0.000 1.902 493 A HA -0.128 4.191 4.320 -0.001 0.000 0.217 493 A C 2.409 179.961 177.584 -0.054 0.000 1.181 493 A CA 1.066 53.078 52.037 -0.042 0.000 0.623 493 A CB -0.704 18.268 19.000 -0.046 0.000 0.818 493 A HN 0.194 nan 8.150 nan 0.000 0.443 494 L N -0.661 120.529 121.223 -0.055 0.000 2.046 494 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 494 L C 2.579 179.383 176.870 -0.111 0.000 1.077 494 L CA 1.713 56.498 54.840 -0.092 0.000 0.747 494 L CB -0.402 41.613 42.059 -0.073 0.000 0.896 494 L HN 0.361 nan 8.230 nan 0.000 0.432 495 K N -0.146 120.213 120.400 -0.068 0.000 2.097 495 K HA -0.123 4.197 4.320 -0.001 0.000 0.205 495 K C 2.233 178.794 176.600 -0.065 0.000 1.050 495 K CA 1.252 57.500 56.287 -0.065 0.000 0.938 495 K CB -0.214 32.262 32.500 -0.040 0.000 0.718 495 K HN 0.289 nan 8.250 nan 0.000 0.442 496 A N 1.088 123.872 122.820 -0.060 0.000 1.898 496 A HA -0.174 4.146 4.320 -0.001 0.000 0.216 496 A C 2.428 179.970 177.584 -0.071 0.000 1.181 496 A CA 1.393 53.392 52.037 -0.062 0.000 0.620 496 A CB -0.941 18.023 19.000 -0.061 0.000 0.819 496 A HN 0.388 nan 8.150 nan 0.000 0.442 497 C N -0.981 118.274 119.300 -0.075 0.000 2.432 497 C HA -0.126 4.334 4.460 -0.001 0.000 0.277 497 C C 2.869 177.823 174.990 -0.060 0.000 1.249 497 C CA 1.276 60.255 59.018 -0.064 0.000 1.725 497 C CB -1.270 26.440 27.740 -0.050 0.000 2.028 497 C HN 0.792 nan 8.230 nan 0.000 0.477 498 Q N 0.283 120.019 119.800 -0.105 0.000 2.061 498 Q HA -0.297 4.043 4.340 -0.001 0.000 0.204 498 Q C 2.159 178.171 176.000 0.021 0.000 0.984 498 Q CA 2.194 57.958 55.803 -0.065 0.000 0.846 498 Q CB -0.290 28.380 28.738 -0.114 0.000 0.902 498 Q HN 0.592 nan 8.270 nan 0.000 0.421 499 M N -0.154 119.437 119.600 -0.014 0.000 2.080 499 M HA -0.139 4.340 4.480 -0.001 0.000 0.260 499 M C 1.843 178.140 176.300 -0.005 0.000 1.068 499 M CA 1.580 56.880 55.300 0.001 0.000 1.109 499 M CB -0.432 32.152 32.600 -0.027 0.000 1.342 499 M HN 0.141 nan 8.290 nan 0.000 0.405 500 V N 0.131 120.008 119.914 -0.061 0.000 2.358 500 V HA -0.284 3.836 4.120 -0.001 0.000 0.246 500 V C 2.421 178.477 176.094 -0.064 0.000 1.047 500 V CA 2.129 64.345 62.300 -0.139 0.000 1.035 500 V CB -0.696 31.022 31.823 -0.175 0.000 0.658 500 V HN 0.554 nan 8.190 nan 0.000 0.452 501 M N 0.292 119.913 119.600 0.035 0.000 2.086 501 M HA -0.251 4.228 4.480 -0.001 0.000 0.261 501 M C 2.377 178.733 176.300 0.093 0.000 1.067 501 M CA 2.353 57.724 55.300 0.119 0.000 1.116 501 M CB -0.446 32.349 32.600 0.325 0.000 1.348 501 M HN 0.537 nan 8.290 nan 0.000 0.407 502 Q N -0.283 119.642 119.800 0.208 0.000 2.172 502 Q HA -0.113 4.227 4.340 -0.001 0.000 0.200 502 Q C 1.788 177.964 176.000 0.293 0.000 0.964 502 Q CA 1.096 57.039 55.803 0.234 0.000 0.855 502 Q CB -0.580 28.401 28.738 0.406 0.000 0.918 502 Q HN 0.414 nan 8.270 nan 0.000 0.444 503 Q N 0.529 120.489 119.800 0.266 0.000 2.124 503 Q HA -0.045 4.295 4.340 -0.001 0.000 0.202 503 Q C 2.197 178.444 176.000 0.412 0.000 0.977 503 Q CA 1.640 57.679 55.803 0.394 0.000 0.850 503 Q CB -0.130 28.760 28.738 0.253 0.000 0.901 503 Q HN 0.505 nan 8.270 nan 0.000 0.429 504 S N 0.339 116.169 115.700 0.216 0.000 2.368 504 S HA -0.074 4.395 4.470 -0.001 0.000 0.224 504 S C 2.212 176.857 174.600 0.075 0.000 1.029 504 S CA 0.895 59.272 58.200 0.295 0.000 0.988 504 S CB -0.155 63.157 63.200 0.187 0.000 0.838 504 S HN 0.123 nan 8.310 nan 0.000 0.462 505 V N 0.905 120.736 119.914 -0.139 0.000 2.343 505 V HA -0.194 3.925 4.120 -0.001 0.000 0.247 505 V C 2.026 178.094 176.094 -0.042 0.000 1.051 505 V CA 1.848 63.941 62.300 -0.345 0.000 1.036 505 V CB -0.769 30.438 31.823 -1.026 0.000 0.654 505 V HN 0.584 nan 8.190 nan 0.000 0.451 506 Y N 1.206 121.560 120.300 0.091 0.000 2.274 506 Y HA -0.215 4.335 4.550 -0.001 0.000 0.290 506 Y C 2.662 178.638 175.900 0.127 0.000 1.145 506 Y CA 2.052 60.291 58.100 0.232 0.000 1.203 506 Y CB -0.291 38.203 38.460 0.056 0.000 0.984 506 Y HN 0.107 nan 8.280 nan 0.000 0.533 507 R N -0.222 120.165 120.500 -0.188 0.000 2.073 507 R HA -0.049 4.291 4.340 -0.001 0.000 0.229 507 R C 2.107 178.072 176.300 -0.558 0.000 1.120 507 R CA 1.441 57.069 56.100 -0.787 0.000 0.967 507 R CB -0.323 29.525 30.300 -0.754 0.000 0.862 507 R HN 0.435 nan 8.270 nan 0.000 0.436 508 L N 0.316 121.361 121.223 -0.296 0.000 2.291 508 L HA -0.050 4.290 4.340 -0.001 0.000 0.214 508 L C 1.351 178.093 176.870 -0.212 0.000 1.120 508 L CA 0.771 55.405 54.840 -0.344 0.000 0.799 508 L CB 0.138 41.836 42.059 -0.602 0.000 0.925 508 L HN 0.238 nan 8.230 nan 0.000 0.446 509 L N -1.225 119.971 121.223 -0.044 0.000 3.066 509 L HA 0.225 4.564 4.340 -0.001 0.000 0.265 509 L C -0.225 176.714 176.870 0.116 0.000 1.232 509 L CA -0.098 54.806 54.840 0.107 0.000 1.031 509 L CB 0.521 42.794 42.059 0.358 0.000 1.379 509 L HN -0.003 nan 8.230 nan 0.000 0.563 510 T N 0.031 114.572 114.554 -0.022 0.000 2.829 510 T HA 0.190 4.539 4.350 -0.001 0.000 0.280 510 T C -0.163 174.467 174.700 -0.117 0.000 0.999 510 T CA -0.567 61.511 62.100 -0.037 0.000 0.983 510 T CB 2.449 71.284 68.868 -0.056 0.000 0.968 510 T HN 0.017 nan 8.240 nan 0.000 0.446 511 K N 3.749 124.096 120.400 -0.088 0.000 2.491 511 K HA 0.007 4.327 4.320 -0.001 0.000 0.279 511 K C -1.723 174.848 176.600 -0.049 0.000 1.026 511 K CA -1.095 55.148 56.287 -0.073 0.000 1.070 511 K CB 0.451 32.914 32.500 -0.061 0.000 0.887 511 K HN 0.167 nan 8.250 nan 0.000 0.481 512 P HA -0.184 nan 4.420 nan 0.000 0.218 512 P C 0.715 178.027 177.300 0.020 0.000 1.148 512 P CA 1.351 64.425 63.100 -0.042 0.000 0.822 512 P CB 0.167 31.835 31.700 -0.052 0.000 0.784 513 S N -2.217 113.487 115.700 0.007 0.000 2.607 513 S HA 0.069 4.539 4.470 -0.001 0.000 0.224 513 S C 1.614 176.228 174.600 0.023 0.000 0.969 513 S CA 0.434 58.643 58.200 0.014 0.000 0.927 513 S CB -1.096 62.105 63.200 0.001 0.000 0.772 513 S HN 0.106 nan 8.310 nan 0.000 0.533 514 I N -0.784 119.808 120.570 0.036 0.000 3.790 514 I HA 0.222 4.392 4.170 -0.001 0.000 0.305 514 I C 0.532 176.702 176.117 0.088 0.000 1.253 514 I CA -0.407 60.923 61.300 0.050 0.000 1.355 514 I CB -0.012 38.014 38.000 0.044 0.000 1.137 514 I HN 0.252 nan 8.210 nan 0.000 0.435 515 Y N 2.705 122.961 120.300 -0.072 0.000 2.802 515 Y HA -0.013 4.537 4.550 -0.001 0.000 0.333 515 Y C 0.464 176.346 175.900 -0.029 0.000 1.244 515 Y CA -0.008 58.011 58.100 -0.136 0.000 1.558 515 Y CB 0.442 38.741 38.460 -0.268 0.000 1.233 515 Y HN -0.119 nan 8.280 nan 0.000 0.547 516 S N 8.794 124.297 115.700 -0.328 0.000 2.293 516 S HA 0.356 4.826 4.470 -0.001 0.000 0.154 516 S C -2.893 171.526 174.600 -0.302 0.000 1.602 516 S CA -1.192 56.825 58.200 -0.305 0.000 1.260 516 S CB -0.067 63.072 63.200 -0.102 0.000 1.270 516 S HN 0.639 nan 8.310 nan 0.000 0.416 517 P HA 0.339 nan 4.420 nan 0.000 0.279 517 P C -1.117 175.939 177.300 -0.407 0.000 1.239 517 P CA -0.208 62.684 63.100 -0.346 0.000 0.789 517 P CB 0.862 32.273 31.700 -0.481 0.000 0.933 518 D N 2.049 122.377 120.400 -0.120 0.000 2.392 518 D HA 0.162 4.802 4.640 -0.001 0.000 0.228 518 D C 0.171 176.493 176.300 0.037 0.000 1.074 518 D CA -0.682 53.232 54.000 -0.144 0.000 0.838 518 D CB 0.210 40.957 40.800 -0.088 0.000 1.067 518 D HN 0.048 nan 8.370 nan 0.000 0.511 519 F N 1.680 121.743 119.950 0.188 0.000 2.771 519 F HA -0.026 4.501 4.527 -0.001 0.000 0.299 519 F C 2.394 178.271 175.800 0.128 0.000 1.177 519 F CA 0.509 58.624 58.000 0.193 0.000 1.450 519 F CB -0.381 38.714 39.000 0.159 0.000 1.114 519 F HN 0.390 nan 8.300 nan 0.000 0.587 520 S N -1.682 114.159 115.700 0.235 0.000 2.524 520 S HA 0.105 4.575 4.470 -0.001 0.000 0.215 520 S C 0.361 175.004 174.600 0.071 0.000 0.986 520 S CA -0.414 57.865 58.200 0.132 0.000 0.911 520 S CB -0.635 62.621 63.200 0.094 0.000 0.805 520 S HN 0.099 nan 8.310 nan 0.000 0.501 521 F N 2.886 122.761 119.950 -0.125 0.000 2.371 521 F HA 0.598 5.124 4.527 -0.001 0.000 0.329 521 F C 0.436 175.998 175.800 -0.396 0.000 1.107 521 F CA -0.778 57.011 58.000 -0.352 0.000 1.137 521 F CB 1.665 40.282 39.000 -0.639 0.000 1.214 521 F HN 0.064 nan 8.300 nan 0.000 0.536 522 S N 4.984 119.932 115.700 -1.252 0.000 2.592 522 S HA 0.196 4.665 4.470 -0.001 0.000 0.305 522 S C 0.445 174.384 174.600 -1.102 0.000 1.118 522 S CA -0.391 57.284 58.200 -0.875 0.000 1.075 522 S CB -0.460 62.337 63.200 -0.672 0.000 1.107 522 S HN 0.656 nan 8.310 nan 0.000 0.503 523 Y N 3.788 123.859 120.300 -0.382 0.000 2.314 523 Y HA 0.254 4.804 4.550 -0.001 0.000 0.293 523 Y C 0.291 175.647 175.900 -0.907 0.000 1.129 523 Y CA 0.614 58.390 58.100 -0.541 0.000 1.201 523 Y CB 0.160 38.400 38.460 -0.367 0.000 0.999 523 Y HN 0.586 nan 8.280 nan 0.000 0.541 524 F N -1.339 118.569 119.950 -0.070 0.000 2.599 524 F HA 0.466 4.993 4.527 -0.001 0.000 0.311 524 F C -0.067 175.758 175.800 0.042 0.000 1.076 524 F CA -1.529 56.490 58.000 0.032 0.000 0.937 524 F CB 1.603 40.759 39.000 0.259 0.000 1.282 524 F HN -0.399 nan 8.300 nan 0.000 0.460 525 T N 0.030 114.732 114.554 0.247 0.000 2.888 525 T HA 0.721 5.071 4.350 -0.001 0.000 0.284 525 T C -0.604 174.196 174.700 0.167 0.000 1.017 525 T CA -0.840 61.347 62.100 0.145 0.000 1.022 525 T CB 1.308 70.196 68.868 0.034 0.000 1.013 525 T HN 0.504 nan 8.240 nan 0.000 0.465 526 L N 1.915 123.147 121.223 0.015 0.000 2.397 526 L HA 0.421 4.760 4.340 -0.001 0.000 0.271 526 L C 0.091 176.924 176.870 -0.062 0.000 1.148 526 L CA -0.275 54.476 54.840 -0.149 0.000 0.825 526 L CB 0.654 42.542 42.059 -0.286 0.000 1.117 526 L HN 0.803 nan 8.230 nan 0.000 0.456 527 D N 1.645 122.012 120.400 -0.055 0.000 2.481 527 D HA 0.207 4.847 4.640 -0.001 0.000 0.246 527 D C -1.262 174.977 176.300 -0.101 0.000 1.109 527 D CA -0.388 53.581 54.000 -0.051 0.000 0.845 527 D CB 1.126 41.938 40.800 0.019 0.000 1.160 527 D HN 0.276 nan 8.370 nan 0.000 0.534 528 D N 2.415 122.767 120.400 -0.079 0.000 2.481 528 D HA 0.196 4.835 4.640 -0.001 0.000 0.246 528 D C 0.182 176.429 176.300 -0.088 0.000 1.109 528 D CA -0.441 53.541 54.000 -0.030 0.000 0.845 528 D CB 1.905 42.776 40.800 0.119 0.000 1.160 528 D HN 0.251 nan 8.370 nan 0.000 0.534 529 S N 2.654 118.278 115.700 -0.128 0.000 2.481 529 S HA 0.003 4.473 4.470 -0.001 0.000 0.231 529 S C 1.356 175.913 174.600 -0.071 0.000 0.996 529 S CA 0.649 58.764 58.200 -0.141 0.000 0.942 529 S CB 0.353 63.462 63.200 -0.150 0.000 0.768 529 S HN 0.493 nan 8.310 nan 0.000 0.520 530 R N -0.660 119.831 120.500 -0.016 0.000 2.565 530 R HA 0.216 4.555 4.340 -0.001 0.000 0.347 530 R C -0.725 175.654 176.300 0.131 0.000 1.010 530 R CA -0.112 56.003 56.100 0.024 0.000 1.126 530 R CB 0.764 31.069 30.300 0.008 0.000 1.331 530 R HN 0.335 nan 8.270 nan 0.000 0.552 531 W N 1.495 122.751 121.300 -0.074 0.000 3.132 531 W HA 0.309 4.969 4.660 -0.001 0.000 0.337 531 W C -3.006 173.481 176.519 -0.054 0.000 1.082 531 W CA -1.864 55.438 57.345 -0.071 0.000 1.242 531 W CB 1.921 31.348 29.460 -0.054 0.000 1.354 531 W HN -0.181 nan 8.180 nan 0.000 0.461 532 P HA 0.163 nan 4.420 nan 0.000 0.236 532 P C 0.324 177.269 177.300 -0.592 0.000 1.177 532 P CA 1.217 63.464 63.100 -1.422 0.000 0.773 532 P CB 0.442 31.498 31.700 -1.073 0.000 0.878 533 G N -1.046 107.570 108.800 -0.307 0.000 2.650 533 G HA2 -0.126 3.833 3.960 -0.001 0.000 0.686 533 G HA3 -0.126 3.833 3.960 -0.001 0.000 0.686 533 G C -0.408 174.427 174.900 -0.108 0.000 1.205 533 G CA -0.869 44.140 45.100 -0.151 0.000 0.781 533 G HN -0.058 nan 8.290 nan 0.000 0.648 534 S N 0.401 116.077 115.700 -0.040 0.000 2.544 534 S HA 0.448 4.918 4.470 -0.001 0.000 0.290 534 S C 1.722 176.319 174.600 -0.006 0.000 1.276 534 S CA 2.073 60.282 58.200 0.015 0.000 1.075 534 S CB 0.407 63.652 63.200 0.075 0.000 0.849 534 S HN 2.574 nan 8.310 nan 0.000 0.494 535 G N 2.117 110.917 108.800 -0.001 0.000 2.176 535 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.253 535 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.253 535 G C 0.639 175.516 174.900 -0.038 0.000 0.979 535 G CA 0.325 45.422 45.100 -0.006 0.000 0.641 535 G HN 0.750 nan 8.290 nan 0.000 0.530 536 V N -1.004 118.864 119.914 -0.076 0.000 2.581 536 V HA 0.488 4.607 4.120 -0.001 0.000 0.240 536 V C 0.797 176.824 176.094 -0.111 0.000 1.054 536 V CA 1.823 64.058 62.300 -0.108 0.000 1.076 536 V CB 0.427 32.139 31.823 -0.186 0.000 0.748 536 V HN 0.545 nan 8.190 nan 0.000 0.474 537 E N 0.031 120.159 120.200 -0.119 0.000 2.347 537 E HA 0.222 4.572 4.350 -0.001 0.000 0.285 537 E C -1.907 174.652 176.600 -0.069 0.000 0.925 537 E CA -0.582 55.757 56.400 -0.102 0.000 0.779 537 E CB 1.851 31.459 29.700 -0.153 0.000 1.233 537 E HN 0.193 nan 8.360 nan 0.000 0.414 538 D N 2.192 122.574 120.400 -0.031 0.000 2.359 538 D HA 0.122 4.762 4.640 -0.001 0.000 0.250 538 D C 0.284 176.568 176.300 -0.028 0.000 1.264 538 D CA 0.418 54.413 54.000 -0.008 0.000 0.911 538 D CB 0.685 41.500 40.800 0.024 0.000 1.056 538 D HN 0.369 nan 8.370 nan 0.000 0.499 539 S N 2.700 118.370 115.700 -0.051 0.000 2.687 539 S HA 0.192 4.661 4.470 -0.001 0.000 0.247 539 S C 0.796 175.361 174.600 -0.059 0.000 1.050 539 S CA -0.546 57.621 58.200 -0.055 0.000 1.063 539 S CB 0.369 63.523 63.200 -0.075 0.000 1.039 539 S HN 0.241 nan 8.310 nan 0.000 0.580 540 R N 3.363 123.815 120.500 -0.081 0.000 2.316 540 R HA 0.281 4.621 4.340 -0.001 0.000 0.314 540 R C 0.165 176.439 176.300 -0.043 0.000 1.069 540 R CA 0.263 56.276 56.100 -0.145 0.000 0.959 540 R CB 0.775 30.834 30.300 -0.403 0.000 0.987 540 R HN 0.512 nan 8.270 nan 0.000 0.446 541 T N 0.543 115.089 114.554 -0.015 0.000 2.907 541 T HA 0.108 4.457 4.350 -0.001 0.000 0.298 541 T C 0.312 175.086 174.700 0.122 0.000 1.017 541 T CA -0.428 61.704 62.100 0.053 0.000 1.118 541 T CB 1.140 70.037 68.868 0.048 0.000 0.948 541 T HN 0.344 nan 8.240 nan 0.000 0.531 542 T N 4.734 119.383 114.554 0.158 0.000 2.806 542 T HA 0.401 4.750 4.350 -0.001 0.000 0.290 542 T C 0.456 175.257 174.700 0.169 0.000 0.966 542 T CA -0.516 61.710 62.100 0.211 0.000 1.060 542 T CB 0.306 69.274 68.868 0.167 0.000 0.927 542 T HN 0.607 nan 8.240 nan 0.000 0.485 543 I N 3.930 124.621 120.570 0.201 0.000 2.436 543 I HA 0.200 4.370 4.170 -0.001 0.000 0.289 543 I C 0.184 176.386 176.117 0.141 0.000 1.083 543 I CA -0.048 61.351 61.300 0.164 0.000 1.372 543 I CB 0.290 38.393 38.000 0.171 0.000 1.408 543 I HN 0.449 nan 8.210 nan 0.000 0.516 544 I N 8.111 128.749 120.570 0.114 0.000 2.297 544 I HA 0.299 4.469 4.170 -0.001 0.000 0.291 544 I C -0.169 176.008 176.117 0.100 0.000 1.033 544 I CA -0.180 61.179 61.300 0.099 0.000 1.253 544 I CB 0.434 38.480 38.000 0.077 0.000 1.396 544 I HN 0.384 nan 8.210 nan 0.000 0.476 545 L N 5.788 127.075 121.223 0.106 0.000 2.333 545 L HA 0.945 5.285 4.340 -0.001 0.000 0.269 545 L C 0.183 177.110 176.870 0.095 0.000 1.010 545 L CA -0.677 54.225 54.840 0.103 0.000 0.818 545 L CB 2.157 44.283 42.059 0.112 0.000 1.306 545 L HN 0.676 nan 8.230 nan 0.000 0.430 546 G N -0.034 108.819 108.800 0.088 0.000 2.596 546 G HA2 0.132 4.092 3.960 -0.001 0.000 0.296 546 G HA3 0.132 4.092 3.960 -0.001 0.000 0.296 546 G C -0.212 174.731 174.900 0.072 0.000 1.513 546 G CA -0.441 44.707 45.100 0.081 0.000 0.851 546 G HN 0.695 nan 8.290 nan 0.000 0.548 547 E N -0.109 120.131 120.200 0.067 0.000 2.160 547 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 547 E C 0.639 177.268 176.600 0.048 0.000 0.991 547 E CA 1.461 57.894 56.400 0.056 0.000 0.810 547 E CB 0.158 29.887 29.700 0.050 0.000 0.742 547 E HN 0.436 nan 8.360 nan 0.000 0.466 548 D N -0.276 120.153 120.400 0.048 0.000 2.427 548 D HA 0.121 4.761 4.640 -0.001 0.000 0.224 548 D C 1.034 177.360 176.300 0.043 0.000 1.157 548 D CA 0.121 54.146 54.000 0.041 0.000 0.828 548 D CB 0.893 41.714 40.800 0.036 0.000 0.974 548 D HN 0.329 nan 8.370 nan 0.000 0.498 549 I N -0.897 119.704 120.570 0.051 0.000 4.420 549 I HA 0.117 4.287 4.170 -0.001 0.000 0.292 549 I C -1.404 174.750 176.117 0.063 0.000 1.153 549 I CA 0.076 61.408 61.300 0.053 0.000 1.315 549 I CB 1.259 39.291 38.000 0.053 0.000 1.616 549 I HN -0.158 nan 8.210 nan 0.000 0.450 550 L N 2.122 123.388 121.223 0.071 0.000 2.949 550 L HA 0.433 4.773 4.340 -0.001 0.000 0.258 550 L C -2.519 174.404 176.870 0.089 0.000 0.941 550 L CA -0.773 54.118 54.840 0.085 0.000 1.053 550 L CB 1.629 43.745 42.059 0.095 0.000 1.550 550 L HN -0.159 nan 8.230 nan 0.000 0.493 551 P HA 0.062 nan 4.420 nan 0.000 0.222 551 P C -0.141 177.213 177.300 0.090 0.000 1.153 551 P CA 0.833 63.983 63.100 0.082 0.000 0.798 551 P CB 0.398 32.140 31.700 0.070 0.000 0.796 552 S N -2.079 113.686 115.700 0.108 0.000 2.596 552 S HA 0.716 5.185 4.470 -0.001 0.000 0.270 552 S C -1.274 173.424 174.600 0.164 0.000 1.155 552 S CA -0.733 57.534 58.200 0.111 0.000 0.827 552 S CB 2.535 65.788 63.200 0.088 0.000 1.130 552 S HN -0.118 nan 8.310 nan 0.000 0.467 553 K N 0.653 121.150 120.400 0.161 0.000 2.513 553 K HA 0.553 4.873 4.320 -0.001 0.000 0.251 553 K C -1.977 174.772 176.600 0.250 0.000 0.939 553 K CA -0.239 56.194 56.287 0.244 0.000 0.793 553 K CB 0.910 33.517 32.500 0.179 0.000 1.241 553 K HN 0.846 nan 8.250 nan 0.000 0.431 554 H N 0.961 120.185 119.070 0.256 0.000 2.610 554 H HA 0.422 4.977 4.556 -0.001 0.000 0.336 554 H C -0.164 175.399 175.328 0.391 0.000 1.087 554 H CA -0.016 56.234 56.048 0.336 0.000 1.405 554 H CB 0.952 31.005 29.762 0.484 0.000 1.460 554 H HN 0.395 nan 8.280 nan 0.000 0.538 555 V N 1.104 121.277 119.914 0.431 0.000 2.914 555 V HA 0.776 4.896 4.120 -0.001 0.000 0.314 555 V C -0.680 175.758 176.094 0.574 0.000 1.084 555 V CA -0.876 61.677 62.300 0.421 0.000 0.963 555 V CB 2.077 33.886 31.823 -0.022 0.000 1.025 555 V HN 0.465 nan 8.190 nan 0.000 0.432 556 V N 3.957 124.236 119.914 0.608 0.000 2.709 556 V HA 0.636 4.755 4.120 -0.001 0.000 0.308 556 V C -0.474 175.989 176.094 0.615 0.000 1.062 556 V CA -0.391 62.235 62.300 0.543 0.000 0.901 556 V CB 1.881 33.879 31.823 0.293 0.000 1.003 556 V HN 0.943 nan 8.190 nan 0.000 0.425 557 M N 4.067 123.997 119.600 0.551 0.000 2.336 557 M HA 0.487 4.967 4.480 -0.001 0.000 0.342 557 M C -0.511 176.074 176.300 0.475 0.000 1.128 557 M CA -0.257 55.339 55.300 0.494 0.000 1.016 557 M CB 1.189 34.019 32.600 0.383 0.000 1.665 557 M HN 0.753 nan 8.290 nan 0.000 0.445 558 H N 2.047 121.353 119.070 0.393 0.000 2.469 558 H HA 0.491 5.047 4.556 -0.001 0.000 0.342 558 H C -1.347 174.122 175.328 0.234 0.000 1.115 558 H CA -0.568 55.677 56.048 0.329 0.000 1.204 558 H CB 1.188 31.221 29.762 0.452 0.000 1.492 558 H HN 0.659 nan 8.280 nan 0.000 0.499 559 N N 3.044 121.512 118.700 -0.387 0.000 2.524 559 N HA 0.037 4.777 4.740 -0.001 0.000 0.261 559 N C 0.258 175.450 175.510 -0.530 0.000 0.998 559 N CA -0.326 52.510 53.050 -0.357 0.000 0.915 559 N CB 1.635 40.020 38.487 -0.170 0.000 1.187 559 N HN 0.625 nan 8.380 nan 0.000 0.507 560 T N 2.910 117.205 114.554 -0.430 0.000 3.085 560 T HA 0.184 4.533 4.350 -0.001 0.000 0.263 560 T C 0.648 175.307 174.700 -0.067 0.000 1.127 560 T CA 0.442 62.439 62.100 -0.171 0.000 1.103 560 T CB -0.243 68.646 68.868 0.035 0.000 0.921 560 T HN 0.420 nan 8.240 nan 0.000 0.510 561 L N 2.763 123.892 121.223 -0.155 0.000 2.395 561 L HA 0.332 4.671 4.340 -0.001 0.000 0.269 561 L C -1.648 175.077 176.870 -0.242 0.000 1.133 561 L CA -2.018 52.696 54.840 -0.211 0.000 0.812 561 L CB 0.755 42.554 42.059 -0.433 0.000 1.125 561 L HN -0.058 nan 8.230 nan 0.000 0.452 562 P HA 0.060 nan 4.420 nan 0.000 0.235 562 P C -0.986 176.339 177.300 0.041 0.000 1.725 562 P CA 0.305 63.398 63.100 -0.013 0.000 0.894 562 P CB -0.361 31.387 31.700 0.081 0.000 1.704 563 H N -3.168 115.919 119.070 0.029 0.000 3.016 563 H HA 0.241 4.796 4.556 -0.001 0.000 0.362 563 H C -1.041 174.309 175.328 0.038 0.000 1.233 563 H CA -1.073 55.012 56.048 0.062 0.000 1.124 563 H CB -0.001 29.825 29.762 0.107 0.000 1.850 563 H HN -0.130 nan 8.280 nan 0.000 0.549 564 W N 1.702 123.116 121.300 0.190 0.000 2.257 564 W HA 0.219 4.878 4.660 -0.001 0.000 0.337 564 W C 0.871 177.500 176.519 0.183 0.000 1.321 564 W CA 0.437 57.862 57.345 0.132 0.000 1.267 564 W CB 0.408 29.934 29.460 0.109 0.000 1.187 564 W HN 0.485 nan 8.180 nan 0.000 0.565 565 R N 2.408 123.109 120.500 0.335 0.000 2.621 565 R HA 0.299 4.639 4.340 -0.001 0.000 0.284 565 R C -0.951 175.487 176.300 0.231 0.000 0.998 565 R CA -0.662 55.591 56.100 0.256 0.000 0.895 565 R CB 1.357 31.730 30.300 0.122 0.000 1.195 565 R HN 0.479 nan 8.270 nan 0.000 0.450 566 E N 2.487 122.800 120.200 0.189 0.000 2.191 566 E HA 0.251 4.601 4.350 -0.001 0.000 0.274 566 E C -1.164 175.485 176.600 0.082 0.000 0.948 566 E CA -0.777 55.709 56.400 0.143 0.000 0.802 566 E CB 2.361 32.138 29.700 0.130 0.000 1.137 566 E HN 0.387 nan 8.360 nan 0.000 0.397 567 Q N 2.856 122.680 119.800 0.041 0.000 2.353 567 Q HA 0.262 4.602 4.340 -0.001 0.000 0.275 567 Q C -1.474 174.485 176.000 -0.069 0.000 1.029 567 Q CA -0.621 55.176 55.803 -0.010 0.000 0.848 567 Q CB 1.498 30.219 28.738 -0.027 0.000 1.390 567 Q HN 0.550 nan 8.270 nan 0.000 0.401 568 L N 3.288 124.465 121.223 -0.077 0.000 2.453 568 L HA 0.318 4.658 4.340 -0.001 0.000 0.272 568 L C 0.222 176.958 176.870 -0.222 0.000 1.182 568 L CA -0.300 54.456 54.840 -0.140 0.000 0.858 568 L CB 0.531 42.544 42.059 -0.076 0.000 1.120 568 L HN 0.470 nan 8.230 nan 0.000 0.474 569 V N -0.397 119.280 119.914 -0.395 0.000 2.864 569 V HA 0.713 4.833 4.120 -0.001 0.000 0.314 569 V C -0.878 174.951 176.094 -0.442 0.000 1.073 569 V CA -0.845 61.184 62.300 -0.451 0.000 0.956 569 V CB 2.161 33.669 31.823 -0.525 0.000 1.023 569 V HN 0.804 nan 8.190 nan 0.000 0.435 570 D N 1.491 121.631 120.400 -0.433 0.000 2.601 570 D HA 0.620 5.260 4.640 -0.001 0.000 0.230 570 D C -1.437 174.577 176.300 -0.478 0.000 1.106 570 D CA -0.404 53.456 54.000 -0.233 0.000 0.873 570 D CB 2.447 43.209 40.800 -0.064 0.000 1.515 570 D HN 0.453 nan 8.370 nan 0.000 0.468 571 F N -0.095 119.942 119.950 0.144 0.000 2.599 571 F HA 0.346 4.872 4.527 -0.001 0.000 0.311 571 F C -0.585 175.411 175.800 0.326 0.000 1.076 571 F CA -1.022 57.081 58.000 0.173 0.000 0.937 571 F CB 1.618 40.748 39.000 0.216 0.000 1.282 571 F HN 0.162 nan 8.300 nan 0.000 0.460 572 Y N 2.123 122.575 120.300 0.254 0.000 2.304 572 Y HA 0.577 5.127 4.550 -0.001 0.000 0.328 572 Y C 0.171 176.189 175.900 0.197 0.000 1.123 572 Y CA -1.473 56.728 58.100 0.168 0.000 1.218 572 Y CB 1.034 39.547 38.460 0.088 0.000 1.207 572 Y HN 0.342 nan 8.280 nan 0.000 0.495 573 V N -0.412 119.688 119.914 0.310 0.000 3.040 573 V HA 0.564 4.683 4.120 -0.001 0.000 0.312 573 V C 0.298 176.516 176.094 0.207 0.000 1.115 573 V CA -0.807 61.641 62.300 0.247 0.000 0.998 573 V CB 1.691 33.662 31.823 0.246 0.000 1.042 573 V HN 0.659 nan 8.190 nan 0.000 0.433 574 S N 0.068 115.875 115.700 0.178 0.000 2.631 574 S HA 0.284 4.754 4.470 -0.001 0.000 0.217 574 S C 0.629 175.360 174.600 0.219 0.000 0.958 574 S CA 0.443 58.736 58.200 0.156 0.000 0.920 574 S CB -0.255 63.011 63.200 0.110 0.000 0.776 574 S HN 1.430 nan 8.310 nan 0.000 0.517 575 S N 1.265 117.102 115.700 0.229 0.000 2.546 575 S HA 0.595 5.064 4.470 -0.001 0.000 0.274 575 S C -2.640 171.895 174.600 -0.107 0.000 1.121 575 S CA -1.400 56.840 58.200 0.066 0.000 0.887 575 S CB 1.917 65.152 63.200 0.059 0.000 1.094 575 S HN 0.014 nan 8.310 nan 0.000 0.474 576 P HA 0.205 nan 4.420 nan 0.000 0.245 576 P C -0.261 176.906 177.300 -0.222 0.000 1.206 576 P CA 0.322 63.058 63.100 -0.607 0.000 0.781 576 P CB -0.171 30.863 31.700 -1.110 0.000 0.994 577 F N 0.703 120.675 119.950 0.036 0.000 2.441 577 F HA 0.275 4.802 4.527 -0.001 0.000 0.337 577 F C 0.414 176.261 175.800 0.079 0.000 1.182 577 F CA -1.227 56.821 58.000 0.079 0.000 1.279 577 F CB 0.047 39.058 39.000 0.018 0.000 1.614 577 F HN -0.338 nan 8.300 nan 0.000 0.574 578 V N 1.111 121.162 119.914 0.229 0.000 2.656 578 V HA 0.650 4.769 4.120 -0.001 0.000 0.307 578 V C -0.273 175.887 176.094 0.111 0.000 1.051 578 V CA -0.840 61.550 62.300 0.150 0.000 0.893 578 V CB 2.266 34.169 31.823 0.133 0.000 0.999 578 V HN 0.513 nan 8.190 nan 0.000 0.426 579 S N 3.219 118.965 115.700 0.077 0.000 2.600 579 S HA 0.892 5.362 4.470 -0.001 0.000 0.300 579 S C -0.926 173.659 174.600 -0.026 0.000 1.087 579 S CA -0.808 57.418 58.200 0.043 0.000 0.965 579 S CB 2.099 65.340 63.200 0.068 0.000 1.089 579 S HN 0.437 nan 8.310 nan 0.000 0.496 580 V N 1.864 121.727 119.914 -0.086 0.000 2.555 580 V HA 0.798 4.918 4.120 -0.001 0.000 0.302 580 V C 0.015 176.026 176.094 -0.137 0.000 1.038 580 V CA -0.475 61.694 62.300 -0.219 0.000 0.887 580 V CB 1.587 33.090 31.823 -0.533 0.000 0.991 580 V HN 1.202 nan 8.190 nan 0.000 0.434 581 T N -0.453 114.038 114.554 -0.104 0.000 2.906 581 T HA 0.637 4.986 4.350 -0.001 0.000 0.295 581 T C -0.802 173.885 174.700 -0.022 0.000 1.061 581 T CA -0.909 61.154 62.100 -0.060 0.000 1.000 581 T CB 2.061 70.884 68.868 -0.075 0.000 1.103 581 T HN 0.724 nan 8.240 nan 0.000 0.486 582 D N 0.675 121.034 120.400 -0.068 0.000 2.447 582 D HA 0.211 4.850 4.640 -0.001 0.000 0.265 582 D C 0.562 176.726 176.300 -0.226 0.000 1.250 582 D CA -1.149 52.689 54.000 -0.271 0.000 1.046 582 D CB 0.302 40.947 40.800 -0.260 0.000 1.095 582 D HN 0.332 nan 8.370 nan 0.000 0.555 583 L N -0.573 120.499 121.223 -0.252 0.000 2.672 583 L HA 0.360 4.699 4.340 -0.001 0.000 0.236 583 L C 1.240 178.039 176.870 -0.117 0.000 1.186 583 L CA 0.291 55.032 54.840 -0.164 0.000 0.977 583 L CB -0.765 41.209 42.059 -0.143 0.000 1.203 583 L HN 0.631 nan 8.230 nan 0.000 0.448 584 A N -1.182 121.574 122.820 -0.108 0.000 2.500 584 A HA 0.242 4.562 4.320 -0.001 0.000 0.267 584 A C 1.124 178.666 177.584 -0.070 0.000 1.290 584 A CA -0.083 51.907 52.037 -0.077 0.000 0.928 584 A CB -0.258 18.702 19.000 -0.066 0.000 1.066 584 A HN 0.399 nan 8.150 nan 0.000 0.516 585 N N 0.004 118.657 118.700 -0.079 0.000 2.909 585 N HA -0.130 4.610 4.740 -0.001 0.000 0.242 585 N C -0.887 174.584 175.510 -0.065 0.000 0.975 585 N CA 0.683 53.693 53.050 -0.066 0.000 0.921 585 N CB -1.300 37.158 38.487 -0.049 0.000 1.112 585 N HN 0.590 nan 8.380 nan 0.000 0.581 586 N N 1.958 120.615 118.700 -0.071 0.000 2.475 586 N HA 0.194 4.933 4.740 -0.001 0.000 0.267 586 N C -2.367 173.084 175.510 -0.098 0.000 1.169 586 N CA -0.578 52.427 53.050 -0.076 0.000 0.947 586 N CB 0.457 38.908 38.487 -0.060 0.000 1.061 586 N HN 0.179 nan 8.380 nan 0.000 0.466 587 P HA 0.013 nan 4.420 nan 0.000 0.266 587 P C -0.375 176.809 177.300 -0.194 0.000 1.195 587 P CA 0.035 62.984 63.100 -0.252 0.000 0.768 587 P CB 0.670 31.982 31.700 -0.647 0.000 0.838 588 V N 2.733 122.580 119.914 -0.113 0.000 2.540 588 V HA 0.215 4.334 4.120 -0.001 0.000 0.302 588 V C 0.500 176.598 176.094 0.007 0.000 1.035 588 V CA -0.852 61.436 62.300 -0.020 0.000 0.873 588 V CB 1.431 33.271 31.823 0.029 0.000 0.992 588 V HN 0.543 nan 8.190 nan 0.000 0.428 589 E N 3.032 123.271 120.200 0.065 0.000 2.414 589 E HA 0.464 4.813 4.350 -0.001 0.000 0.263 589 E C -0.226 176.450 176.600 0.127 0.000 1.000 589 E CA 0.119 56.586 56.400 0.113 0.000 0.914 589 E CB 0.827 30.596 29.700 0.115 0.000 0.948 589 E HN 0.896 nan 8.360 nan 0.000 0.444 590 A N 4.263 127.146 122.820 0.104 0.000 2.556 590 A HA 0.423 4.742 4.320 -0.001 0.000 0.294 590 A C -1.376 176.232 177.584 0.039 0.000 1.091 590 A CA -0.723 51.385 52.037 0.119 0.000 0.704 590 A CB 1.961 21.024 19.000 0.104 0.000 1.300 590 A HN 0.665 nan 8.150 nan 0.000 0.406 591 Q N 0.977 120.807 119.800 0.051 0.000 2.323 591 Q HA 0.647 4.987 4.340 -0.001 0.000 0.271 591 Q C -2.011 173.985 176.000 -0.008 0.000 1.048 591 Q CA -0.541 55.248 55.803 -0.023 0.000 0.792 591 Q CB 2.169 30.930 28.738 0.037 0.000 1.280 591 Q HN 0.583 nan 8.270 nan 0.000 0.441 592 V N 2.625 122.460 119.914 -0.132 0.000 2.483 592 V HA 0.596 4.716 4.120 -0.001 0.000 0.295 592 V C -0.492 175.772 176.094 0.283 0.000 1.035 592 V CA -0.290 62.044 62.300 0.057 0.000 0.896 592 V CB 1.839 33.661 31.823 -0.002 0.000 0.986 592 V HN 0.860 nan 8.190 nan 0.000 0.447 593 S N 4.809 120.696 115.700 0.312 0.000 2.632 593 S HA 0.684 5.154 4.470 -0.001 0.000 0.289 593 S C -2.795 171.835 174.600 0.049 0.000 1.115 593 S CA -1.156 57.202 58.200 0.263 0.000 0.889 593 S CB 2.429 65.743 63.200 0.189 0.000 1.116 593 S HN 0.542 nan 8.310 nan 0.000 0.486 594 P HA 0.252 nan 4.420 nan 0.000 0.273 594 P C -1.153 175.789 177.300 -0.597 0.000 1.250 594 P CA -0.501 62.192 63.100 -0.677 0.000 0.793 594 P CB 0.364 31.273 31.700 -1.317 0.000 1.011 595 V N 1.597 121.079 119.914 -0.720 0.000 2.348 595 V HA 0.198 4.318 4.120 -0.001 0.000 0.270 595 V C -0.564 175.200 176.094 -0.550 0.000 1.037 595 V CA -0.188 61.767 62.300 -0.575 0.000 0.872 595 V CB -0.376 31.008 31.823 -0.733 0.000 1.002 595 V HN 0.515 nan 8.190 nan 0.000 0.464 596 W N 3.059 124.255 121.300 -0.173 0.000 2.433 596 W HA 0.629 5.289 4.660 -0.001 0.000 0.315 596 W C 0.342 176.770 176.519 -0.152 0.000 1.087 596 W CA -0.321 56.910 57.345 -0.191 0.000 1.205 596 W CB 1.719 31.076 29.460 -0.171 0.000 1.288 596 W HN 0.414 nan 8.180 nan 0.000 0.504 597 S N 1.805 117.510 115.700 0.008 0.000 2.513 597 S HA 0.472 4.941 4.470 -0.001 0.000 0.299 597 S C -1.451 172.898 174.600 -0.418 0.000 1.087 597 S CA -0.768 57.358 58.200 -0.123 0.000 1.012 597 S CB 1.146 64.251 63.200 -0.158 0.000 1.044 597 S HN 0.359 nan 8.310 nan 0.000 0.485 598 W N 2.077 123.137 121.300 -0.399 0.000 2.496 598 W HA 0.537 5.197 4.660 -0.001 0.000 0.327 598 W C 0.165 176.351 176.519 -0.556 0.000 1.086 598 W CA -0.247 56.872 57.345 -0.376 0.000 1.222 598 W CB 0.831 30.181 29.460 -0.182 0.000 1.304 598 W HN 0.549 nan 8.180 nan 0.000 0.547 599 H N 1.327 120.436 119.070 0.064 0.000 2.771 599 H HA 0.116 4.671 4.556 -0.001 0.000 0.361 599 H C -1.030 174.284 175.328 -0.022 0.000 1.108 599 H CA -1.026 54.998 56.048 -0.039 0.000 1.201 599 H CB 1.613 31.267 29.762 -0.180 0.000 1.681 599 H HN 0.356 nan 8.280 nan 0.000 0.534 600 H N 2.221 121.338 119.070 0.077 0.000 2.846 600 H HA 0.072 4.628 4.556 -0.001 0.000 0.278 600 H C -0.549 174.792 175.328 0.023 0.000 1.117 600 H CA -0.315 55.757 56.048 0.039 0.000 1.406 600 H CB 0.153 29.938 29.762 0.039 0.000 1.445 600 H HN 0.415 nan 8.280 nan 0.000 0.469 601 D N 3.681 124.051 120.400 -0.050 0.000 2.374 601 D HA -0.020 4.619 4.640 -0.001 0.000 0.240 601 D C 0.976 177.123 176.300 -0.255 0.000 1.229 601 D CA 0.089 54.039 54.000 -0.083 0.000 0.895 601 D CB 0.579 41.479 40.800 0.167 0.000 1.046 601 D HN 0.757 nan 8.370 nan 0.000 0.498 602 T N 1.279 115.625 114.554 -0.347 0.000 3.051 602 T HA -0.087 4.263 4.350 -0.001 0.000 0.269 602 T C 1.754 176.376 174.700 -0.129 0.000 1.127 602 T CA 0.175 62.079 62.100 -0.327 0.000 1.107 602 T CB 0.190 68.917 68.868 -0.234 0.000 0.898 602 T HN 0.245 nan 8.240 nan 0.000 0.517 603 L N 2.171 123.350 121.223 -0.073 0.000 2.121 603 L HA 0.105 4.445 4.340 -0.001 0.000 0.200 603 L C 3.010 179.882 176.870 0.004 0.000 1.077 603 L CA 2.171 56.996 54.840 -0.025 0.000 0.766 603 L CB -1.713 40.337 42.059 -0.014 0.000 0.931 603 L HN 0.537 nan 8.230 nan 0.000 0.452 604 T N -3.655 110.918 114.554 0.032 0.000 3.088 604 T HA -0.035 4.315 4.350 -0.001 0.000 0.259 604 T C 0.783 175.530 174.700 0.079 0.000 1.122 604 T CA -0.096 62.037 62.100 0.055 0.000 1.095 604 T CB 0.028 68.941 68.868 0.075 0.000 0.930 604 T HN 0.121 nan 8.240 nan 0.000 0.508 605 K N 2.073 122.521 120.400 0.081 0.000 3.096 605 K HA -0.126 4.193 4.320 -0.001 0.000 0.266 605 K C 0.125 176.850 176.600 0.209 0.000 1.043 605 K CA 1.251 57.628 56.287 0.150 0.000 0.758 605 K CB -2.853 29.716 32.500 0.115 0.000 1.260 605 K HN 0.880 nan 8.250 nan 0.000 0.481 606 T N -2.783 111.921 114.554 0.250 0.000 2.916 606 T HA 0.809 5.158 4.350 -0.001 0.000 0.292 606 T C 0.307 175.219 174.700 0.353 0.000 1.064 606 T CA -1.066 61.202 62.100 0.280 0.000 1.011 606 T CB 2.273 71.306 68.868 0.275 0.000 1.152 606 T HN 0.148 nan 8.240 nan 0.000 0.510 607 I N 3.085 123.833 120.570 0.298 0.000 2.355 607 I HA 0.525 4.694 4.170 -0.001 0.000 0.288 607 I C -0.431 175.936 176.117 0.418 0.000 0.999 607 I CA -0.700 60.773 61.300 0.289 0.000 1.163 607 I CB 0.683 38.799 38.000 0.193 0.000 1.316 607 I HN 0.929 nan 8.210 nan 0.000 0.454 608 H N 5.896 125.147 119.070 0.302 0.000 3.016 608 H HA 0.660 5.215 4.556 -0.001 0.000 0.362 608 H C -3.201 171.908 175.328 -0.364 0.000 1.233 608 H CA -2.488 53.564 56.048 0.006 0.000 1.124 608 H CB 1.735 31.503 29.762 0.009 0.000 1.850 608 H HN 0.145 nan 8.280 nan 0.000 0.549 609 P HA 0.231 nan 4.420 nan 0.000 0.286 609 P C -0.964 176.285 177.300 -0.085 0.000 1.261 609 P CA -0.621 61.953 63.100 -0.877 0.000 0.821 609 P CB 1.702 32.541 31.700 -1.435 0.000 1.013 610 Q N 0.678 120.507 119.800 0.048 0.000 2.365 610 Q HA 0.591 4.931 4.340 -0.001 0.000 0.269 610 Q C 0.077 176.156 176.000 0.132 0.000 1.061 610 Q CA -0.561 55.367 55.803 0.209 0.000 0.816 610 Q CB 2.859 31.750 28.738 0.255 0.000 1.325 610 Q HN 0.599 nan 8.270 nan 0.000 0.446 611 G N 0.494 109.248 108.800 -0.076 0.000 2.389 611 G HA2 0.362 4.321 3.960 -0.001 0.000 0.328 611 G HA3 0.362 4.321 3.960 -0.001 0.000 0.328 611 G C -0.419 174.232 174.900 -0.416 0.000 1.133 611 G CA -0.319 44.401 45.100 -0.633 0.000 0.891 611 G HN 0.416 nan 8.290 nan 0.000 0.485 612 S N -0.503 114.890 115.700 -0.512 0.000 2.565 612 S HA 0.329 4.799 4.470 -0.001 0.000 0.276 612 S C 1.543 175.884 174.600 -0.431 0.000 1.326 612 S CA 0.253 58.199 58.200 -0.424 0.000 1.045 612 S CB 0.795 63.689 63.200 -0.511 0.000 0.918 612 S HN 0.914 nan 8.310 nan 0.000 0.505 613 T N -0.123 114.265 114.554 -0.275 0.000 3.105 613 T HA 0.175 4.525 4.350 -0.001 0.000 0.253 613 T C 0.952 175.572 174.700 -0.133 0.000 1.047 613 T CA 0.430 62.435 62.100 -0.159 0.000 0.944 613 T CB -0.247 68.584 68.868 -0.063 0.000 1.016 613 T HN 0.705 nan 8.240 nan 0.000 0.544 614 T N -1.526 112.850 114.554 -0.297 0.000 3.130 614 T HA 0.316 4.666 4.350 -0.001 0.000 0.288 614 T C 0.030 174.523 174.700 -0.346 0.000 0.936 614 T CA -0.636 61.354 62.100 -0.184 0.000 0.897 614 T CB 0.079 68.892 68.868 -0.092 0.000 1.178 614 T HN 0.627 nan 8.240 nan 0.000 0.543 615 K N 0.127 120.068 120.400 -0.765 0.000 2.469 615 K HA 0.680 4.999 4.320 -0.001 0.000 0.254 615 K C -2.080 173.822 176.600 -1.163 0.000 0.939 615 K CA -0.892 54.993 56.287 -0.670 0.000 0.812 615 K CB 1.958 34.228 32.500 -0.383 0.000 1.301 615 K HN 0.098 nan 8.250 nan 0.000 0.433 616 Y N 0.112 120.300 120.300 -0.186 0.000 2.581 616 Y HA 0.455 5.005 4.550 -0.001 0.000 0.345 616 Y C -0.418 175.434 175.900 -0.079 0.000 1.036 616 Y CA -1.089 56.921 58.100 -0.149 0.000 1.042 616 Y CB 2.330 40.785 38.460 -0.009 0.000 1.289 616 Y HN 0.400 nan 8.280 nan 0.000 0.471 617 R N 1.850 122.422 120.500 0.120 0.000 2.294 617 R HA 0.591 4.930 4.340 -0.001 0.000 0.319 617 R C -1.250 175.202 176.300 0.253 0.000 0.984 617 R CA -0.690 55.537 56.100 0.212 0.000 0.861 617 R CB 1.730 32.137 30.300 0.177 0.000 1.104 617 R HN 0.664 nan 8.270 nan 0.000 0.451 618 I N 4.119 124.871 120.570 0.302 0.000 2.441 618 I HA 0.429 4.598 4.170 -0.001 0.000 0.295 618 I C -1.064 175.243 176.117 0.317 0.000 0.994 618 I CA -0.772 60.702 61.300 0.291 0.000 1.144 618 I CB 1.088 39.275 38.000 0.310 0.000 1.314 618 I HN 0.534 nan 8.210 nan 0.000 0.445 619 I N 8.098 128.821 120.570 0.256 0.000 2.545 619 I HA 0.536 4.706 4.170 -0.001 0.000 0.292 619 I C -0.994 175.277 176.117 0.256 0.000 1.040 619 I CA -0.513 60.886 61.300 0.165 0.000 1.068 619 I CB 1.708 39.764 38.000 0.094 0.000 1.251 619 I HN 0.524 nan 8.210 nan 0.000 0.424 620 F N 2.624 122.602 119.950 0.047 0.000 2.713 620 F HA 0.569 5.096 4.527 -0.001 0.000 0.311 620 F C -1.097 174.690 175.800 -0.022 0.000 1.141 620 F CA -1.307 56.699 58.000 0.010 0.000 0.939 620 F CB 1.290 40.283 39.000 -0.011 0.000 1.325 620 F HN 0.208 nan 8.300 nan 0.000 0.453 621 K N 1.909 122.395 120.400 0.143 0.000 2.285 621 K HA 0.745 5.065 4.320 -0.001 0.000 0.286 621 K C -0.721 175.924 176.600 0.075 0.000 1.072 621 K CA -0.382 55.929 56.287 0.040 0.000 0.913 621 K CB 0.911 33.471 32.500 0.101 0.000 1.067 621 K HN 0.938 nan 8.250 nan 0.000 0.479 622 A N 4.663 127.439 122.820 -0.073 0.000 2.301 622 A HA 0.414 4.734 4.320 -0.001 0.000 0.312 622 A C -0.667 177.057 177.584 0.233 0.000 1.182 622 A CA -0.692 51.366 52.037 0.035 0.000 0.826 622 A CB 0.683 19.652 19.000 -0.052 0.000 1.134 622 A HN 0.873 nan 8.150 nan 0.000 0.501 623 R N 2.183 122.940 120.500 0.429 0.000 2.409 623 R HA 0.600 4.940 4.340 -0.001 0.000 0.313 623 R C -1.873 174.699 176.300 0.452 0.000 0.953 623 R CA -0.219 56.120 56.100 0.399 0.000 0.849 623 R CB 1.278 31.798 30.300 0.367 0.000 1.171 623 R HN 0.500 nan 8.270 nan 0.000 0.458 624 V N 6.236 126.367 119.914 0.362 0.000 2.656 624 V HA 0.465 4.585 4.120 -0.001 0.000 0.307 624 V C -2.249 173.751 176.094 -0.156 0.000 1.051 624 V CA -2.310 60.094 62.300 0.174 0.000 0.893 624 V CB 1.904 33.807 31.823 0.134 0.000 0.999 624 V HN 0.776 nan 8.190 nan 0.000 0.426 625 P HA 0.227 nan 4.420 nan 0.000 0.271 625 P C -2.751 174.064 177.300 -0.808 0.000 1.244 625 P CA -1.468 60.732 63.100 -1.500 0.000 0.793 625 P CB -0.313 30.698 31.700 -1.148 0.000 0.984 626 P HA 0.058 nan 4.420 nan 0.000 0.264 626 P C 0.114 177.382 177.300 -0.054 0.000 1.193 626 P CA 0.647 63.558 63.100 -0.315 0.000 0.763 626 P CB -0.309 31.275 31.700 -0.193 0.000 0.810 627 M N 0.408 120.011 119.600 0.006 0.000 2.253 627 M HA -0.217 4.262 4.480 -0.001 0.000 0.199 627 M C 0.581 177.095 176.300 0.357 0.000 0.342 627 M CA 1.015 56.457 55.300 0.238 0.000 0.417 627 M CB -2.046 30.782 32.600 0.379 0.000 1.338 627 M HN 0.592 nan 8.290 nan 0.000 0.920 628 G N -0.199 108.671 108.800 0.117 0.000 3.022 628 G HA2 0.935 4.895 3.960 -0.001 0.000 0.284 628 G HA3 0.935 4.895 3.960 -0.001 0.000 0.284 628 G C -1.372 173.673 174.900 0.242 0.000 1.375 628 G CA -0.990 44.155 45.100 0.074 0.000 0.902 628 G HN 0.187 nan 8.290 nan 0.000 0.538 629 L N -0.499 120.850 121.223 0.209 0.000 2.388 629 L HA 0.806 5.146 4.340 -0.001 0.000 0.264 629 L C -0.223 176.756 176.870 0.181 0.000 0.998 629 L CA -1.025 53.967 54.840 0.253 0.000 0.817 629 L CB 2.479 44.690 42.059 0.253 0.000 1.338 629 L HN 0.771 nan 8.230 nan 0.000 0.414 630 A N 0.821 123.790 122.820 0.247 0.000 2.422 630 A HA 0.823 5.142 4.320 -0.001 0.000 0.302 630 A C -0.800 176.955 177.584 0.286 0.000 1.041 630 A CA -0.445 51.723 52.037 0.219 0.000 0.708 630 A CB 1.780 20.959 19.000 0.299 0.000 1.257 630 A HN 0.556 nan 8.150 nan 0.000 0.414 631 T N 1.983 116.602 114.554 0.109 0.000 2.824 631 T HA 0.661 5.010 4.350 -0.001 0.000 0.280 631 T C -1.111 173.543 174.700 -0.076 0.000 0.995 631 T CA 0.214 62.431 62.100 0.195 0.000 1.009 631 T CB 0.416 69.389 68.868 0.174 0.000 0.955 631 T HN 0.446 nan 8.240 nan 0.000 0.452 632 Y N 0.296 120.697 120.300 0.169 0.000 2.634 632 Y HA 0.673 5.223 4.550 -0.001 0.000 0.340 632 Y C -0.387 175.449 175.900 -0.106 0.000 1.058 632 Y CA -1.104 57.007 58.100 0.019 0.000 1.081 632 Y CB 1.752 40.241 38.460 0.048 0.000 1.295 632 Y HN 0.302 nan 8.280 nan 0.000 0.487 633 V N 3.050 122.936 119.914 -0.047 0.000 2.588 633 V HA 0.441 4.560 4.120 -0.001 0.000 0.304 633 V C -0.818 175.209 176.094 -0.112 0.000 1.042 633 V CA -0.950 61.245 62.300 -0.174 0.000 0.877 633 V CB 1.724 33.374 31.823 -0.289 0.000 0.996 633 V HN 0.486 nan 8.190 nan 0.000 0.425 634 L N 3.867 125.049 121.223 -0.069 0.000 2.296 634 L HA 0.699 5.038 4.340 -0.001 0.000 0.286 634 L C -0.071 176.807 176.870 0.014 0.000 1.023 634 L CA -0.125 54.693 54.840 -0.037 0.000 0.812 634 L CB 1.820 43.873 42.059 -0.010 0.000 1.223 634 L HN 0.600 nan 8.230 nan 0.000 0.421 635 T N 3.668 118.237 114.554 0.024 0.000 2.861 635 T HA 0.460 4.810 4.350 -0.001 0.000 0.287 635 T C -0.275 174.471 174.700 0.077 0.000 1.003 635 T CA -0.385 61.744 62.100 0.048 0.000 0.977 635 T CB 2.323 71.209 68.868 0.031 0.000 0.996 635 T HN 0.383 nan 8.240 nan 0.000 0.448 636 I N 3.171 123.796 120.570 0.091 0.000 2.581 636 I HA 0.532 4.701 4.170 -0.001 0.000 0.288 636 I C 0.339 176.520 176.117 0.107 0.000 1.047 636 I CA 0.158 61.529 61.300 0.118 0.000 1.374 636 I CB 0.748 38.820 38.000 0.121 0.000 1.423 636 I HN 0.821 nan 8.210 nan 0.000 0.549 637 S N 3.603 119.384 115.700 0.135 0.000 2.704 637 S HA 0.415 4.884 4.470 -0.001 0.000 0.296 637 S C -0.050 174.585 174.600 0.059 0.000 1.138 637 S CA -0.795 57.451 58.200 0.076 0.000 0.875 637 S CB 1.604 64.830 63.200 0.044 0.000 1.151 637 S HN 0.610 nan 8.310 nan 0.000 0.500 638 D N 1.089 121.465 120.400 -0.041 0.000 2.317 638 D HA 0.161 4.801 4.640 -0.001 0.000 0.211 638 D C 0.895 176.939 176.300 -0.426 0.000 0.966 638 D CA 1.176 55.109 54.000 -0.111 0.000 0.876 638 D CB 0.047 40.793 40.800 -0.090 0.000 0.927 638 D HN 0.662 nan 8.370 nan 0.000 0.519 639 S N -1.393 113.965 115.700 -0.569 0.000 2.688 639 S HA 0.335 4.805 4.470 -0.001 0.000 0.275 639 S C -0.660 173.532 174.600 -0.680 0.000 1.175 639 S CA -1.122 56.505 58.200 -0.955 0.000 0.818 639 S CB 1.964 64.874 63.200 -0.483 0.000 1.157 639 S HN -0.201 nan 8.310 nan 0.000 0.482 640 K N 1.922 122.023 120.400 -0.498 0.000 2.440 640 K HA 0.124 4.443 4.320 -0.001 0.000 0.275 640 K C -2.395 174.231 176.600 0.043 0.000 1.082 640 K CA -0.408 55.888 56.287 0.014 0.000 1.135 640 K CB -0.599 31.933 32.500 0.054 0.000 0.864 640 K HN 0.376 nan 8.250 nan 0.000 0.479 641 P HA -0.021 nan 4.420 nan 0.000 0.271 641 P C 0.547 177.869 177.300 0.036 0.000 1.218 641 P CA -0.218 62.932 63.100 0.082 0.000 0.780 641 P CB 0.731 32.504 31.700 0.122 0.000 0.901 642 E N 1.426 121.606 120.200 -0.034 0.000 2.130 642 E HA -0.251 4.098 4.350 -0.001 0.000 0.196 642 E C 0.511 176.925 176.600 -0.311 0.000 0.998 642 E CA 1.235 57.517 56.400 -0.196 0.000 0.806 642 E CB -0.029 29.485 29.700 -0.309 0.000 0.738 642 E HN 0.506 nan 8.360 nan 0.000 0.459 643 H N -0.812 118.272 119.070 0.023 0.000 2.505 643 H HA 0.223 4.778 4.556 -0.001 0.000 0.286 643 H C -0.447 174.881 175.328 -0.001 0.000 1.072 643 H CA 0.151 56.207 56.048 0.014 0.000 1.141 643 H CB 0.770 30.539 29.762 0.013 0.000 1.550 643 H HN -0.050 nan 8.280 nan 0.000 0.547 644 T N 1.545 116.126 114.554 0.045 0.000 2.792 644 T HA 0.308 4.658 4.350 -0.001 0.000 0.280 644 T C 0.335 174.928 174.700 -0.178 0.000 0.990 644 T CA -0.675 61.384 62.100 -0.068 0.000 0.960 644 T CB 2.086 70.910 68.868 -0.073 0.000 0.939 644 T HN 0.272 nan 8.240 nan 0.000 0.439 645 S N 2.427 117.979 115.700 -0.246 0.000 2.718 645 S HA 0.768 5.237 4.470 -0.001 0.000 0.300 645 S C -1.350 172.916 174.600 -0.557 0.000 1.117 645 S CA -0.801 57.265 58.200 -0.223 0.000 1.002 645 S CB 0.835 64.012 63.200 -0.039 0.000 1.092 645 S HN 0.570 nan 8.310 nan 0.000 0.542 646 Y N 0.089 120.399 120.300 0.015 0.000 2.376 646 Y HA 0.642 5.192 4.550 -0.001 0.000 0.340 646 Y C 0.612 176.567 175.900 0.091 0.000 0.965 646 Y CA -0.768 57.329 58.100 -0.005 0.000 1.078 646 Y CB 1.644 39.965 38.460 -0.233 0.000 1.193 646 Y HN 1.032 nan 8.280 nan 0.000 0.452 647 A N 2.095 125.106 122.820 0.319 0.000 2.445 647 A HA 0.456 4.776 4.320 -0.001 0.000 0.242 647 A C 0.322 178.104 177.584 0.331 0.000 1.075 647 A CA -0.267 51.942 52.037 0.287 0.000 0.777 647 A CB -0.104 19.064 19.000 0.278 0.000 1.013 647 A HN 0.768 nan 8.150 nan 0.000 0.493 648 S N 2.201 118.031 115.700 0.215 0.000 2.632 648 S HA 0.530 5.000 4.470 -0.001 0.000 0.271 648 S C -0.344 174.351 174.600 0.159 0.000 1.260 648 S CA -0.869 57.442 58.200 0.185 0.000 1.010 648 S CB 0.739 64.005 63.200 0.111 0.000 0.965 648 S HN 0.693 nan 8.310 nan 0.000 0.534 649 N N 0.613 119.386 118.700 0.121 0.000 2.310 649 N HA 0.490 5.229 4.740 -0.001 0.000 0.292 649 N C -1.961 173.495 175.510 -0.090 0.000 1.049 649 N CA -0.536 52.542 53.050 0.046 0.000 0.849 649 N CB 2.026 40.624 38.487 0.185 0.000 1.532 649 N HN 0.596 nan 8.380 nan 0.000 0.479 650 L N 2.509 123.635 121.223 -0.162 0.000 2.406 650 L HA 0.492 4.832 4.340 -0.001 0.000 0.272 650 L C -1.553 175.163 176.870 -0.257 0.000 0.980 650 L CA -0.559 54.157 54.840 -0.208 0.000 0.831 650 L CB 1.559 43.551 42.059 -0.112 0.000 1.253 650 L HN 0.428 nan 8.230 nan 0.000 0.406 651 L N 6.713 127.737 121.223 -0.332 0.000 2.265 651 L HA 0.467 4.807 4.340 -0.001 0.000 0.289 651 L C -1.205 175.641 176.870 -0.040 0.000 1.033 651 L CA -0.399 54.309 54.840 -0.221 0.000 0.814 651 L CB 1.225 43.146 42.059 -0.231 0.000 1.203 651 L HN 0.689 nan 8.230 nan 0.000 0.423 652 L N 7.254 128.470 121.223 -0.012 0.000 2.262 652 L HA 0.581 4.920 4.340 -0.001 0.000 0.288 652 L C 0.012 176.921 176.870 0.066 0.000 1.035 652 L CA -0.413 54.450 54.840 0.039 0.000 0.820 652 L CB 0.926 43.000 42.059 0.025 0.000 1.204 652 L HN 0.638 nan 8.230 nan 0.000 0.424 653 R N 2.286 122.836 120.500 0.084 0.000 2.739 653 R HA 0.416 4.755 4.340 -0.001 0.000 0.266 653 R C -1.702 174.635 176.300 0.063 0.000 1.044 653 R CA -1.044 55.101 56.100 0.075 0.000 0.885 653 R CB 1.457 31.803 30.300 0.077 0.000 1.260 653 R HN 0.258 nan 8.270 nan 0.000 0.477 654 K N 1.523 121.950 120.400 0.046 0.000 2.154 654 K HA 0.114 4.433 4.320 -0.001 0.000 0.264 654 K C -0.173 176.432 176.600 0.008 0.000 1.008 654 K CA -0.451 55.853 56.287 0.028 0.000 0.937 654 K CB 0.382 32.897 32.500 0.025 0.000 1.002 654 K HN 0.811 nan 8.250 nan 0.000 0.469 655 N N 0.976 119.668 118.700 -0.014 0.000 2.727 655 N HA -0.106 4.634 4.740 -0.001 0.000 0.251 655 N C -2.609 172.856 175.510 -0.076 0.000 1.040 655 N CA 0.084 53.108 53.050 -0.043 0.000 0.712 655 N CB -0.752 37.718 38.487 -0.029 0.000 0.912 655 N HN 0.390 nan 8.380 nan 0.000 0.545 656 P HA 0.249 nan 4.420 nan 0.000 0.274 656 P C -0.178 176.947 177.300 -0.292 0.000 1.231 656 P CA -0.093 62.901 63.100 -0.178 0.000 0.790 656 P CB 0.895 32.449 31.700 -0.244 0.000 0.951 657 T N -2.232 112.154 114.554 -0.279 0.000 2.942 657 T HA 0.495 4.845 4.350 -0.001 0.000 0.289 657 T C 0.359 174.877 174.700 -0.303 0.000 1.044 657 T CA -0.758 61.179 62.100 -0.272 0.000 1.023 657 T CB 0.601 69.370 68.868 -0.165 0.000 1.123 657 T HN 0.470 nan 8.240 nan 0.000 0.512 658 S N 0.562 116.137 115.700 -0.208 0.000 2.576 658 S HA 0.415 4.885 4.470 -0.001 0.000 0.272 658 S C -0.187 174.512 174.600 0.164 0.000 1.352 658 S CA -0.818 57.358 58.200 -0.039 0.000 1.021 658 S CB -0.295 62.898 63.200 -0.011 0.000 0.887 658 S HN 0.681 nan 8.310 nan 0.000 0.542 659 L N 2.023 123.446 121.223 0.332 0.000 2.481 659 L HA 0.367 4.706 4.340 -0.001 0.000 0.255 659 L C -2.386 174.590 176.870 0.177 0.000 1.192 659 L CA -1.650 53.354 54.840 0.274 0.000 0.924 659 L CB 1.542 43.839 42.059 0.396 0.000 1.179 659 L HN 0.578 nan 8.230 nan 0.000 0.491 660 P HA 0.141 nan 4.420 nan 0.000 0.271 660 P C -0.018 177.285 177.300 0.005 0.000 1.218 660 P CA -0.070 63.067 63.100 0.063 0.000 0.780 660 P CB 1.567 33.293 31.700 0.043 0.000 0.901 661 L N 1.118 122.353 121.223 0.021 0.000 3.366 661 L HA 0.284 4.624 4.340 -0.001 0.000 0.304 661 L C 1.360 178.302 176.870 0.120 0.000 1.292 661 L CA -0.063 54.770 54.840 -0.012 0.000 1.012 661 L CB 0.094 42.121 42.059 -0.054 0.000 1.414 661 L HN 0.735 nan 8.230 nan 0.000 0.603 662 G N 1.262 110.113 108.800 0.085 0.000 2.583 662 G HA2 -0.401 3.558 3.960 -0.001 0.000 0.292 662 G HA3 -0.401 3.558 3.960 -0.001 0.000 0.292 662 G C 0.450 175.406 174.900 0.093 0.000 1.203 662 G CA 0.666 45.831 45.100 0.109 0.000 0.987 662 G HN 0.467 nan 8.290 nan 0.000 0.554 663 Q N -0.406 119.427 119.800 0.055 0.000 2.444 663 Q HA 0.258 4.598 4.340 -0.001 0.000 0.206 663 Q C 0.710 176.554 176.000 -0.260 0.000 0.948 663 Q CA 0.191 55.938 55.803 -0.094 0.000 0.946 663 Q CB 0.270 28.903 28.738 -0.175 0.000 1.027 663 Q HN 0.500 nan 8.270 nan 0.000 0.513 664 Y N 3.788 123.901 120.300 -0.312 0.000 2.729 664 Y HA -0.034 4.515 4.550 -0.001 0.000 0.331 664 Y C -1.388 174.369 175.900 -0.238 0.000 1.208 664 Y CA -1.767 56.123 58.100 -0.349 0.000 1.521 664 Y CB 0.813 39.216 38.460 -0.095 0.000 1.233 664 Y HN 0.071 nan 8.280 nan 0.000 0.539 665 P HA -0.071 nan 4.420 nan 0.000 0.233 665 P C -0.561 176.571 177.300 -0.281 0.000 1.167 665 P CA 1.048 63.869 63.100 -0.465 0.000 0.770 665 P CB 0.495 31.814 31.700 -0.635 0.000 0.837 666 E N 0.961 121.010 120.200 -0.252 0.000 2.158 666 E HA 0.215 4.564 4.350 -0.001 0.000 0.271 666 E C -0.423 176.286 176.600 0.181 0.000 0.911 666 E CA -0.547 55.861 56.400 0.014 0.000 0.767 666 E CB 1.137 30.893 29.700 0.093 0.000 1.120 666 E HN 0.043 nan 8.360 nan 0.000 0.405 667 D N 1.327 121.799 120.400 0.119 0.000 2.389 667 D HA 0.084 4.723 4.640 -0.001 0.000 0.247 667 D C 0.136 176.501 176.300 0.109 0.000 1.128 667 D CA -0.251 53.827 54.000 0.130 0.000 0.884 667 D CB 1.211 42.074 40.800 0.104 0.000 1.194 667 D HN 0.040 nan 8.370 nan 0.000 0.441 668 V N 2.936 122.902 119.914 0.086 0.000 2.673 668 V HA -0.061 4.059 4.120 -0.001 0.000 0.303 668 V C 0.708 176.633 176.094 -0.282 0.000 1.046 668 V CA 0.288 62.533 62.300 -0.091 0.000 1.126 668 V CB 0.381 32.125 31.823 -0.132 0.000 0.934 668 V HN 0.354 nan 8.190 nan 0.000 0.487 669 K N 3.773 123.958 120.400 -0.358 0.000 2.098 669 K HA 0.726 5.045 4.320 -0.001 0.000 0.258 669 K C -0.935 175.273 176.600 -0.655 0.000 0.973 669 K CA -0.119 55.980 56.287 -0.313 0.000 0.898 669 K CB 1.127 33.566 32.500 -0.102 0.000 1.057 669 K HN 0.422 nan 8.250 nan 0.000 0.447 670 F N -0.513 119.447 119.950 0.017 0.000 2.577 670 F HA 0.773 5.300 4.527 -0.001 0.000 0.318 670 F C 0.532 176.335 175.800 0.005 0.000 1.065 670 F CA -0.695 57.306 58.000 0.003 0.000 0.929 670 F CB 2.711 41.711 39.000 -0.000 0.000 1.237 670 F HN 0.515 nan 8.300 nan 0.000 0.468 671 G N 0.441 109.352 108.800 0.185 0.000 2.632 671 G HA2 0.410 4.369 3.960 -0.001 0.000 0.292 671 G HA3 0.410 4.369 3.960 -0.001 0.000 0.292 671 G C -2.142 172.813 174.900 0.091 0.000 1.465 671 G CA -0.836 44.329 45.100 0.108 0.000 0.824 671 G HN 0.373 nan 8.290 nan 0.000 0.509 672 D N 0.862 121.303 120.400 0.067 0.000 2.362 672 D HA 0.371 5.010 4.640 -0.001 0.000 0.242 672 D C -1.956 174.375 176.300 0.052 0.000 1.132 672 D CA -0.624 53.409 54.000 0.056 0.000 0.907 672 D CB 0.946 41.772 40.800 0.044 0.000 1.195 672 D HN 0.013 nan 8.370 nan 0.000 0.429 673 P HA 0.042 nan 4.420 nan 0.000 0.263 673 P C -0.464 176.866 177.300 0.050 0.000 1.175 673 P CA 0.484 63.616 63.100 0.053 0.000 0.761 673 P CB 0.365 32.099 31.700 0.056 0.000 0.794 674 R N 0.478 121.010 120.500 0.053 0.000 2.690 674 R HA 0.411 4.750 4.340 -0.001 0.000 0.269 674 R C -1.135 175.205 176.300 0.068 0.000 1.037 674 R CA -1.017 55.114 56.100 0.053 0.000 0.877 674 R CB 1.120 31.447 30.300 0.044 0.000 1.255 674 R HN 0.225 nan 8.270 nan 0.000 0.467 675 E N 1.871 122.111 120.200 0.068 0.000 2.413 675 E HA 0.219 4.568 4.350 -0.001 0.000 0.263 675 E C 0.013 176.672 176.600 0.098 0.000 1.015 675 E CA 0.118 56.572 56.400 0.090 0.000 0.916 675 E CB 0.786 30.524 29.700 0.063 0.000 0.947 675 E HN 0.456 nan 8.360 nan 0.000 0.440 676 I N -1.997 118.665 120.570 0.154 0.000 2.969 676 I HA 0.557 4.726 4.170 -0.001 0.000 0.307 676 I C -0.670 175.592 176.117 0.241 0.000 1.149 676 I CA -0.830 60.561 61.300 0.152 0.000 1.008 676 I CB 2.474 40.536 38.000 0.103 0.000 1.232 676 I HN 0.132 nan 8.210 nan 0.000 0.435 677 S N 3.426 119.240 115.700 0.190 0.000 2.548 677 S HA 0.837 5.306 4.470 -0.001 0.000 0.286 677 S C -0.836 173.883 174.600 0.199 0.000 1.098 677 S CA -0.655 57.677 58.200 0.219 0.000 0.930 677 S CB 1.859 65.141 63.200 0.137 0.000 1.070 677 S HN 0.536 nan 8.310 nan 0.000 0.480 678 L N 1.845 123.212 121.223 0.240 0.000 2.409 678 L HA 0.675 5.015 4.340 -0.001 0.000 0.262 678 L C -0.526 176.438 176.870 0.157 0.000 0.992 678 L CA -0.624 54.326 54.840 0.184 0.000 0.817 678 L CB 2.331 44.515 42.059 0.208 0.000 1.350 678 L HN 0.529 nan 8.230 nan 0.000 0.411 679 R N 1.758 122.326 120.500 0.114 0.000 2.533 679 R HA 0.701 5.040 4.340 -0.001 0.000 0.288 679 R C -2.042 174.305 176.300 0.078 0.000 1.039 679 R CA -0.485 55.669 56.100 0.091 0.000 0.909 679 R CB 2.269 32.613 30.300 0.074 0.000 1.195 679 R HN 0.402 nan 8.270 nan 0.000 0.438 680 V N 4.584 124.541 119.914 0.073 0.000 2.435 680 V HA 0.590 4.710 4.120 -0.001 0.000 0.290 680 V C 1.019 177.144 176.094 0.052 0.000 1.030 680 V CA 0.605 62.943 62.300 0.063 0.000 0.881 680 V CB 1.152 33.015 31.823 0.066 0.000 0.983 680 V HN 1.122 nan 8.190 nan 0.000 0.445 681 G N 5.243 114.072 108.800 0.048 0.000 2.582 681 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.288 681 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.288 681 G C 0.283 175.204 174.900 0.035 0.000 1.247 681 G CA 0.646 45.770 45.100 0.041 0.000 0.972 681 G HN 1.293 nan 8.290 nan 0.000 0.557 682 N N 1.350 120.067 118.700 0.028 0.000 2.320 682 N HA 0.460 5.200 4.740 -0.001 0.000 0.237 682 N C 0.880 176.400 175.510 0.016 0.000 1.129 682 N CA 1.031 54.094 53.050 0.021 0.000 0.854 682 N CB 0.261 38.758 38.487 0.016 0.000 1.083 682 N HN 0.955 nan 8.380 nan 0.000 0.504 683 G N 0.646 109.460 108.800 0.023 0.000 2.489 683 G HA2 0.361 4.321 3.960 -0.001 0.000 0.271 683 G HA3 0.361 4.321 3.960 -0.001 0.000 0.271 683 G C -2.419 172.490 174.900 0.015 0.000 1.427 683 G CA -1.152 43.959 45.100 0.019 0.000 1.057 683 G HN 0.168 nan 8.290 nan 0.000 0.532 684 P HA 0.218 nan 4.420 nan 0.000 0.274 684 P C -0.488 176.826 177.300 0.023 0.000 1.237 684 P CA 0.018 63.119 63.100 0.001 0.000 0.793 684 P CB 0.827 32.524 31.700 -0.005 0.000 0.977 685 T N 2.468 117.030 114.554 0.013 0.000 2.767 685 T HA 0.460 4.809 4.350 -0.001 0.000 0.284 685 T C -0.002 174.727 174.700 0.049 0.000 0.973 685 T CA -0.363 61.771 62.100 0.056 0.000 0.996 685 T CB 0.110 69.021 68.868 0.072 0.000 0.927 685 T HN 0.170 nan 8.240 nan 0.000 0.456 686 L N 2.631 123.895 121.223 0.068 0.000 2.329 686 L HA 0.778 5.118 4.340 -0.001 0.000 0.279 686 L C 0.141 176.968 176.870 -0.072 0.000 1.014 686 L CA -1.163 53.642 54.840 -0.057 0.000 0.814 686 L CB 1.603 43.614 42.059 -0.080 0.000 1.257 686 L HN 0.647 nan 8.230 nan 0.000 0.424 687 A N 3.105 125.794 122.820 -0.219 0.000 2.337 687 A HA 0.861 5.181 4.320 -0.001 0.000 0.329 687 A C -1.230 176.152 177.584 -0.337 0.000 1.146 687 A CA -0.309 51.661 52.037 -0.112 0.000 0.800 687 A CB 0.841 19.820 19.000 -0.035 0.000 1.220 687 A HN 0.497 nan 8.150 nan 0.000 0.472 688 F N 0.850 120.848 119.950 0.080 0.000 2.546 688 F HA 0.537 5.063 4.527 -0.001 0.000 0.320 688 F C 1.087 176.939 175.800 0.086 0.000 1.076 688 F CA -0.307 57.757 58.000 0.106 0.000 0.928 688 F CB 2.184 41.248 39.000 0.107 0.000 1.189 688 F HN 0.676 nan 8.300 nan 0.000 0.465 689 S N 0.134 115.999 115.700 0.276 0.000 2.608 689 S HA 0.097 4.567 4.470 -0.001 0.000 0.261 689 S C 1.088 175.795 174.600 0.178 0.000 1.314 689 S CA -0.039 58.269 58.200 0.179 0.000 0.992 689 S CB 0.710 64.013 63.200 0.171 0.000 0.935 689 S HN 0.857 nan 8.310 nan 0.000 0.564 690 E N -0.020 120.252 120.200 0.119 0.000 2.333 690 E HA -0.227 4.122 4.350 -0.001 0.000 0.198 690 E C 1.346 178.010 176.600 0.107 0.000 1.007 690 E CA 1.128 57.589 56.400 0.101 0.000 0.845 690 E CB -0.424 29.320 29.700 0.072 0.000 0.766 690 E HN 0.779 nan 8.360 nan 0.000 0.507 691 Q N -0.046 119.833 119.800 0.131 0.000 2.365 691 Q HA 0.193 4.532 4.340 -0.001 0.000 0.203 691 Q C 0.858 176.949 176.000 0.152 0.000 0.929 691 Q CA 0.474 56.354 55.803 0.127 0.000 0.948 691 Q CB 0.859 29.674 28.738 0.128 0.000 1.043 691 Q HN 0.505 nan 8.270 nan 0.000 0.505 692 G N 0.365 109.277 108.800 0.186 0.000 2.136 692 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.242 692 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.242 692 G C -0.254 174.873 174.900 0.379 0.000 0.989 692 G CA -0.187 45.030 45.100 0.195 0.000 0.682 692 G HN 0.267 nan 8.290 nan 0.000 0.522 693 L N 0.018 121.499 121.223 0.430 0.000 2.317 693 L HA 0.659 4.998 4.340 -0.001 0.000 0.281 693 L C 0.839 178.007 176.870 0.497 0.000 1.024 693 L CA -1.385 53.748 54.840 0.487 0.000 0.810 693 L CB 1.562 43.810 42.059 0.315 0.000 1.240 693 L HN 0.130 nan 8.230 nan 0.000 0.427 694 L N 3.555 125.052 121.223 0.456 0.000 2.559 694 L HA -0.086 4.254 4.340 -0.001 0.000 0.282 694 L C 1.080 178.035 176.870 0.143 0.000 1.232 694 L CA 0.992 55.854 54.840 0.036 0.000 0.885 694 L CB 0.166 42.278 42.059 0.089 0.000 1.131 694 L HN 0.793 nan 8.230 nan 0.000 0.498 695 K N 1.383 121.767 120.400 -0.027 0.000 2.474 695 K HA 0.320 4.640 4.320 -0.001 0.000 0.204 695 K C -0.061 176.489 176.600 -0.084 0.000 1.220 695 K CA 0.319 56.610 56.287 0.007 0.000 0.966 695 K CB 0.446 32.920 32.500 -0.043 0.000 1.049 695 K HN 0.596 nan 8.250 nan 0.000 0.554 696 S N 0.363 115.986 115.700 -0.128 0.000 2.567 696 S HA 0.586 5.055 4.470 -0.001 0.000 0.270 696 S C -1.182 173.363 174.600 -0.093 0.000 1.152 696 S CA -1.007 57.139 58.200 -0.089 0.000 0.835 696 S CB 1.297 64.487 63.200 -0.016 0.000 1.115 696 S HN 0.180 nan 8.310 nan 0.000 0.459 697 I N 1.476 122.005 120.570 -0.069 0.000 2.533 697 I HA 0.465 4.635 4.170 -0.001 0.000 0.290 697 I C -0.611 175.457 176.117 -0.082 0.000 1.056 697 I CA -0.395 60.863 61.300 -0.069 0.000 1.057 697 I CB 2.173 40.123 38.000 -0.084 0.000 1.240 697 I HN 0.744 nan 8.210 nan 0.000 0.423 698 Q N 6.031 125.765 119.800 -0.111 0.000 2.357 698 Q HA 0.421 4.760 4.340 -0.001 0.000 0.266 698 Q C -0.017 175.899 176.000 -0.140 0.000 1.021 698 Q CA -0.528 55.136 55.803 -0.231 0.000 0.784 698 Q CB 1.699 30.129 28.738 -0.514 0.000 1.243 698 Q HN 0.780 nan 8.270 nan 0.000 0.465 699 L N 2.045 123.199 121.223 -0.115 0.000 2.093 699 L HA -0.018 4.321 4.340 -0.001 0.000 0.208 699 L C 1.111 177.943 176.870 -0.063 0.000 1.085 699 L CA 1.249 56.044 54.840 -0.075 0.000 0.755 699 L CB -0.270 41.749 42.059 -0.066 0.000 0.904 699 L HN 0.674 nan 8.230 nan 0.000 0.435 700 T N -6.578 107.929 114.554 -0.078 0.000 2.865 700 T HA 0.212 4.561 4.350 -0.001 0.000 0.294 700 T C 0.480 175.140 174.700 -0.066 0.000 1.119 700 T CA -0.849 61.217 62.100 -0.056 0.000 1.007 700 T CB 1.875 70.716 68.868 -0.043 0.000 1.225 700 T HN -0.149 nan 8.240 nan 0.000 0.515 701 Q N 1.016 120.793 119.800 -0.038 0.000 2.112 701 Q HA -0.161 4.178 4.340 -0.001 0.000 0.206 701 Q C 1.611 177.591 176.000 -0.033 0.000 0.987 701 Q CA 2.414 58.202 55.803 -0.026 0.000 0.858 701 Q CB -0.270 28.465 28.738 -0.005 0.000 0.905 701 Q HN 0.935 nan 8.270 nan 0.000 0.420 702 D N -0.579 119.801 120.400 -0.034 0.000 2.349 702 D HA -0.015 4.624 4.640 -0.001 0.000 0.214 702 D C 0.424 176.698 176.300 -0.044 0.000 1.063 702 D CA 0.081 54.065 54.000 -0.027 0.000 0.847 702 D CB 0.203 40.993 40.800 -0.016 0.000 0.933 702 D HN 0.017 nan 8.370 nan 0.000 0.513 703 S N 0.698 116.351 115.700 -0.078 0.000 2.669 703 S HA 0.512 4.982 4.470 -0.001 0.000 0.270 703 S C -2.661 171.856 174.600 -0.139 0.000 1.225 703 S CA -1.167 56.978 58.200 -0.091 0.000 0.991 703 S CB 1.307 64.451 63.200 -0.094 0.000 0.987 703 S HN -0.143 nan 8.310 nan 0.000 0.552 704 P HA 0.227 nan 4.420 nan 0.000 0.274 704 P C -0.703 176.490 177.300 -0.178 0.000 1.231 704 P CA -0.330 62.720 63.100 -0.082 0.000 0.790 704 P CB 0.158 31.845 31.700 -0.021 0.000 0.951 705 H N 0.534 119.589 119.070 -0.025 0.000 3.004 705 H HA 0.143 4.699 4.556 -0.001 0.000 0.267 705 H C -0.178 175.117 175.328 -0.055 0.000 1.165 705 H CA -0.287 55.737 56.048 -0.040 0.000 1.450 705 H CB -0.114 29.627 29.762 -0.036 0.000 1.488 705 H HN 0.111 nan 8.280 nan 0.000 0.478 706 V N 6.973 126.878 119.914 -0.015 0.000 2.455 706 V HA 0.065 4.185 4.120 -0.001 0.000 0.273 706 V C -1.883 174.156 176.094 -0.093 0.000 1.045 706 V CA -1.639 60.630 62.300 -0.052 0.000 0.976 706 V CB 0.746 32.527 31.823 -0.070 0.000 0.993 706 V HN 0.549 nan 8.190 nan 0.000 0.475 707 P HA 0.151 nan 4.420 nan 0.000 0.266 707 P C -0.753 176.405 177.300 -0.237 0.000 1.215 707 P CA 0.262 63.219 63.100 -0.238 0.000 0.763 707 P CB 0.456 31.869 31.700 -0.478 0.000 0.806 708 V N 4.217 124.023 119.914 -0.180 0.000 2.498 708 V HA 0.203 4.322 4.120 -0.001 0.000 0.283 708 V C -0.648 175.351 176.094 -0.158 0.000 1.015 708 V CA -0.464 61.715 62.300 -0.202 0.000 0.867 708 V CB 1.031 32.720 31.823 -0.224 0.000 1.025 708 V HN 0.539 nan 8.190 nan 0.000 0.441 709 H N 4.192 123.108 119.070 -0.256 0.000 2.459 709 H HA 0.689 5.245 4.556 -0.001 0.000 0.332 709 H C -1.242 173.957 175.328 -0.215 0.000 1.094 709 H CA -1.022 54.920 56.048 -0.177 0.000 1.224 709 H CB 1.179 30.881 29.762 -0.100 0.000 1.449 709 H HN 0.390 nan 8.280 nan 0.000 0.484 710 F N 3.698 123.338 119.950 -0.517 0.000 2.394 710 F HA 0.390 4.916 4.527 -0.001 0.000 0.340 710 F C 0.353 175.632 175.800 -0.868 0.000 1.105 710 F CA -0.175 57.482 58.000 -0.571 0.000 1.124 710 F CB 0.977 39.770 39.000 -0.346 0.000 1.145 710 F HN 0.435 nan 8.300 nan 0.000 0.505 711 K N 3.172 123.320 120.400 -0.421 0.000 2.498 711 K HA 0.521 4.840 4.320 -0.001 0.000 0.254 711 K C -1.938 174.399 176.600 -0.438 0.000 0.933 711 K CA -0.579 55.509 56.287 -0.332 0.000 0.806 711 K CB 1.384 33.765 32.500 -0.199 0.000 1.301 711 K HN 0.393 nan 8.250 nan 0.000 0.432 712 F N 3.890 123.764 119.950 -0.128 0.000 2.436 712 F HA 0.487 5.014 4.527 -0.001 0.000 0.340 712 F C -0.348 175.408 175.800 -0.074 0.000 1.113 712 F CA -0.574 57.364 58.000 -0.103 0.000 1.022 712 F CB 1.147 40.071 39.000 -0.128 0.000 1.128 712 F HN 0.237 nan 8.300 nan 0.000 0.466 713 L N 2.690 123.950 121.223 0.062 0.000 2.277 713 L HA 0.650 4.989 4.340 -0.001 0.000 0.254 713 L C -1.115 175.745 176.870 -0.017 0.000 1.044 713 L CA -1.026 53.803 54.840 -0.019 0.000 0.842 713 L CB 2.227 44.211 42.059 -0.125 0.000 1.422 713 L HN 0.497 nan 8.230 nan 0.000 0.422 714 K N -0.502 119.850 120.400 -0.080 0.000 2.427 714 K HA 0.650 4.970 4.320 -0.001 0.000 0.252 714 K C -1.803 174.735 176.600 -0.102 0.000 0.931 714 K CA -0.819 55.455 56.287 -0.022 0.000 0.793 714 K CB 1.731 34.251 32.500 0.033 0.000 1.211 714 K HN 0.247 nan 8.250 nan 0.000 0.426 715 Y N 0.554 120.917 120.300 0.105 0.000 2.376 715 Y HA 0.545 5.094 4.550 -0.001 0.000 0.325 715 Y C 1.018 176.978 175.900 0.099 0.000 1.199 715 Y CA 0.098 58.272 58.100 0.124 0.000 1.206 715 Y CB 2.127 40.729 38.460 0.237 0.000 1.229 715 Y HN 0.923 nan 8.280 nan 0.000 0.480 716 G N 0.313 109.264 108.800 0.253 0.000 3.107 716 G HA2 0.637 4.596 3.960 -0.001 0.000 0.232 716 G HA3 0.637 4.596 3.960 -0.001 0.000 0.232 716 G C -1.494 173.483 174.900 0.128 0.000 1.339 716 G CA -0.740 44.450 45.100 0.150 0.000 1.033 716 G HN 0.438 nan 8.290 nan 0.000 0.567 717 V N -0.168 119.789 119.914 0.071 0.000 2.864 717 V HA 0.480 4.599 4.120 -0.001 0.000 0.314 717 V C -0.063 176.035 176.094 0.008 0.000 1.073 717 V CA -0.864 61.461 62.300 0.041 0.000 0.956 717 V CB 1.962 33.808 31.823 0.037 0.000 1.023 717 V HN 0.666 nan 8.190 nan 0.000 0.435 718 R N 1.244 121.738 120.500 -0.009 0.000 2.491 718 R HA 0.207 4.547 4.340 -0.001 0.000 0.283 718 R C 1.199 177.456 176.300 -0.072 0.000 1.072 718 R CA 0.427 56.512 56.100 -0.025 0.000 1.048 718 R CB 0.696 30.991 30.300 -0.007 0.000 0.983 718 R HN 0.915 nan 8.270 nan 0.000 0.450 719 S N 1.603 117.207 115.700 -0.160 0.000 2.501 719 S HA 0.015 4.485 4.470 -0.001 0.000 0.220 719 S C 0.460 174.769 174.600 -0.484 0.000 0.997 719 S CA 0.163 58.167 58.200 -0.327 0.000 0.919 719 S CB 0.117 63.064 63.200 -0.422 0.000 0.778 719 S HN 0.555 nan 8.310 nan 0.000 0.523 720 H N 0.733 119.804 119.070 0.002 0.000 2.622 720 H HA 0.607 5.163 4.556 -0.001 0.000 0.363 720 H C 1.045 176.370 175.328 -0.005 0.000 1.151 720 H CA -0.083 55.964 56.048 -0.001 0.000 1.184 720 H CB 1.166 30.927 29.762 -0.001 0.000 1.643 720 H HN 0.429 nan 8.280 nan 0.000 0.531 721 G N 2.237 111.104 108.800 0.112 0.000 2.645 721 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.239 721 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.239 721 G C -0.731 174.183 174.900 0.023 0.000 1.331 721 G CA -0.420 44.713 45.100 0.054 0.000 0.890 721 G HN 0.634 nan 8.290 nan 0.000 0.572 722 D N 1.342 121.748 120.400 0.010 0.000 2.382 722 D HA 0.407 5.047 4.640 -0.001 0.000 0.245 722 D C 1.025 177.319 176.300 -0.010 0.000 1.120 722 D CA 0.364 54.361 54.000 -0.005 0.000 0.890 722 D CB 0.537 41.329 40.800 -0.014 0.000 1.201 722 D HN 0.477 nan 8.370 nan 0.000 0.433 723 R N 1.035 121.529 120.500 -0.011 0.000 2.474 723 R HA 0.327 4.667 4.340 -0.001 0.000 0.295 723 R C 0.082 176.381 176.300 -0.002 0.000 0.980 723 R CA -0.680 55.417 56.100 -0.005 0.000 0.934 723 R CB 1.302 31.602 30.300 -0.001 0.000 1.101 723 R HN 0.322 nan 8.270 nan 0.000 0.469 724 S N 0.489 116.198 115.700 0.016 0.000 2.563 724 S HA 0.278 4.748 4.470 -0.001 0.000 0.284 724 S C 0.477 175.099 174.600 0.038 0.000 1.331 724 S CA 0.040 58.266 58.200 0.042 0.000 1.047 724 S CB 1.139 64.396 63.200 0.095 0.000 0.859 724 S HN 0.793 nan 8.310 nan 0.000 0.514 725 G N -0.056 108.767 108.800 0.039 0.000 2.815 725 G HA2 0.589 4.549 3.960 -0.001 0.000 0.305 725 G HA3 0.589 4.549 3.960 -0.001 0.000 0.305 725 G C 0.543 175.468 174.900 0.041 0.000 1.277 725 G CA -0.131 44.998 45.100 0.048 0.000 0.795 725 G HN 0.707 nan 8.290 nan 0.000 0.528 726 A N -1.267 121.570 122.820 0.028 0.000 1.978 726 A HA 0.063 4.382 4.320 -0.001 0.000 0.220 726 A C 1.913 179.416 177.584 -0.135 0.000 1.170 726 A CA 2.055 54.053 52.037 -0.066 0.000 0.636 726 A CB -0.628 18.282 19.000 -0.149 0.000 0.810 726 A HN 0.592 nan 8.150 nan 0.000 0.448 727 Y N -0.818 119.419 120.300 -0.106 0.000 2.301 727 Y HA 0.339 4.889 4.550 -0.001 0.000 0.295 727 Y C 0.914 176.699 175.900 -0.192 0.000 1.126 727 Y CA 0.076 58.039 58.100 -0.228 0.000 1.154 727 Y CB -0.151 37.824 38.460 -0.808 0.000 1.075 727 Y HN 0.025 nan 8.280 nan 0.000 0.534 728 L N 0.432 121.616 121.223 -0.066 0.000 2.325 728 L HA 0.220 4.560 4.340 -0.001 0.000 0.279 728 L C -1.129 175.793 176.870 0.087 0.000 1.054 728 L CA -0.607 54.197 54.840 -0.060 0.000 0.804 728 L CB 1.008 42.982 42.059 -0.142 0.000 1.200 728 L HN 0.020 nan 8.230 nan 0.000 0.436 729 F N 4.739 124.633 119.950 -0.095 0.000 2.375 729 F HA 0.481 5.007 4.527 -0.001 0.000 0.361 729 F C -0.751 174.973 175.800 -0.126 0.000 1.117 729 F CA -1.198 56.708 58.000 -0.156 0.000 1.037 729 F CB 0.647 39.486 39.000 -0.268 0.000 1.192 729 F HN 0.205 nan 8.300 nan 0.000 0.452 730 L N 9.100 130.233 121.223 -0.151 0.000 2.556 730 L HA 0.337 4.677 4.340 -0.001 0.000 0.243 730 L C -2.352 174.349 176.870 -0.283 0.000 1.331 730 L CA -1.751 52.944 54.840 -0.242 0.000 0.927 730 L CB 1.026 43.035 42.059 -0.083 0.000 1.219 730 L HN 0.384 nan 8.230 nan 0.000 0.490 731 P HA 0.040 nan 4.420 nan 0.000 0.272 731 P C -0.495 176.736 177.300 -0.115 0.000 1.223 731 P CA -0.297 62.618 63.100 -0.309 0.000 0.784 731 P CB 0.564 31.946 31.700 -0.529 0.000 0.923 732 N N 1.100 119.804 118.700 0.007 0.000 3.250 732 N HA 0.271 5.010 4.740 -0.001 0.000 0.307 732 N C 0.657 176.194 175.510 0.045 0.000 1.355 732 N CA -0.147 52.915 53.050 0.020 0.000 1.192 732 N CB -0.858 37.648 38.487 0.030 0.000 1.478 732 N HN 0.737 nan 8.380 nan 0.000 0.543 733 G N 0.901 109.721 108.800 0.033 0.000 2.710 733 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.668 733 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.668 733 G C -3.038 171.945 174.900 0.137 0.000 1.320 733 G CA -1.080 44.054 45.100 0.056 0.000 0.860 733 G HN 0.389 nan 8.290 nan 0.000 0.538 734 P HA 0.450 nan 4.420 nan 0.000 0.269 734 P C 0.530 177.810 177.300 -0.034 0.000 1.217 734 P CA 0.664 63.839 63.100 0.125 0.000 0.783 734 P CB 0.348 32.082 31.700 0.057 0.000 0.898 735 A N 2.131 124.739 122.820 -0.352 0.000 2.425 735 A HA 0.365 4.685 4.320 -0.001 0.000 0.242 735 A C 0.210 177.648 177.584 -0.244 0.000 1.077 735 A CA 0.340 52.006 52.037 -0.618 0.000 0.781 735 A CB -0.300 18.062 19.000 -1.063 0.000 1.020 735 A HN 0.479 nan 8.150 nan 0.000 0.494 736 S N 2.491 118.086 115.700 -0.176 0.000 2.501 736 S HA 0.589 5.058 4.470 -0.001 0.000 0.301 736 S C -2.713 171.851 174.600 -0.060 0.000 1.096 736 S CA -1.046 57.106 58.200 -0.079 0.000 1.063 736 S CB 1.332 64.508 63.200 -0.040 0.000 1.042 736 S HN 0.571 nan 8.310 nan 0.000 0.494 737 P HA 0.090 nan 4.420 nan 0.000 0.265 737 P C -0.690 176.617 177.300 0.012 0.000 1.193 737 P CA -0.291 62.808 63.100 -0.001 0.000 0.765 737 P CB 0.262 31.972 31.700 0.016 0.000 0.823 738 V N 3.951 123.884 119.914 0.032 0.000 2.585 738 V HA -0.039 4.081 4.120 -0.001 0.000 0.296 738 V C 1.004 177.114 176.094 0.026 0.000 1.035 738 V CA 0.281 62.598 62.300 0.029 0.000 1.084 738 V CB -0.332 31.515 31.823 0.041 0.000 0.953 738 V HN 0.518 nan 8.190 nan 0.000 0.483 739 E N 4.651 124.859 120.200 0.015 0.000 2.265 739 E HA 0.133 4.483 4.350 -0.001 0.000 0.272 739 E C 0.436 177.041 176.600 0.010 0.000 1.067 739 E CA -0.152 56.258 56.400 0.016 0.000 0.900 739 E CB 0.740 30.448 29.700 0.013 0.000 1.017 739 E HN 0.561 nan 8.360 nan 0.000 0.431 740 L N 2.681 123.915 121.223 0.019 0.000 2.529 740 L HA 0.125 4.464 4.340 -0.001 0.000 0.223 740 L C 1.371 178.252 176.870 0.017 0.000 1.113 740 L CA 0.326 55.173 54.840 0.012 0.000 0.861 740 L CB -0.590 41.487 42.059 0.029 0.000 1.012 740 L HN 0.844 nan 8.230 nan 0.000 0.461 741 G N 1.137 109.952 108.800 0.025 0.000 2.566 741 G HA2 -0.333 3.627 3.960 -0.001 0.000 0.280 741 G HA3 -0.333 3.627 3.960 -0.001 0.000 0.280 741 G C -0.061 174.862 174.900 0.039 0.000 1.225 741 G CA -0.108 45.011 45.100 0.031 0.000 0.966 741 G HN 0.419 nan 8.290 nan 0.000 0.560 742 Q N 1.546 121.373 119.800 0.046 0.000 2.508 742 Q HA 0.435 4.775 4.340 -0.001 0.000 0.247 742 Q C -2.307 173.732 176.000 0.064 0.000 1.047 742 Q CA -1.502 54.333 55.803 0.053 0.000 0.783 742 Q CB 2.103 30.871 28.738 0.050 0.000 1.172 742 Q HN 0.578 nan 8.270 nan 0.000 0.515 743 P HA 0.147 nan 4.420 nan 0.000 0.276 743 P C -0.360 177.007 177.300 0.111 0.000 1.244 743 P CA -0.437 62.711 63.100 0.079 0.000 0.801 743 P CB 1.116 32.842 31.700 0.043 0.000 1.006 744 V N 2.130 122.148 119.914 0.173 0.000 2.488 744 V HA 0.136 4.255 4.120 -0.001 0.000 0.277 744 V C 0.487 176.735 176.094 0.256 0.000 1.046 744 V CA -0.221 62.205 62.300 0.209 0.000 0.986 744 V CB 1.172 33.156 31.823 0.269 0.000 0.989 744 V HN 0.260 nan 8.190 nan 0.000 0.475 745 V N 6.359 126.367 119.914 0.157 0.000 2.495 745 V HA 0.485 4.605 4.120 -0.001 0.000 0.298 745 V C -0.431 175.685 176.094 0.038 0.000 1.031 745 V CA -0.630 61.740 62.300 0.117 0.000 0.871 745 V CB 1.704 33.556 31.823 0.049 0.000 0.988 745 V HN 0.678 nan 8.190 nan 0.000 0.432 746 L N 6.631 127.872 121.223 0.030 0.000 2.325 746 L HA 0.740 5.080 4.340 -0.001 0.000 0.281 746 L C -0.666 176.091 176.870 -0.188 0.000 1.004 746 L CA -0.009 54.725 54.840 -0.177 0.000 0.823 746 L CB 1.780 43.634 42.059 -0.342 0.000 1.236 746 L HN 0.437 nan 8.230 nan 0.000 0.415 747 V N 4.029 123.820 119.914 -0.205 0.000 2.384 747 V HA 0.568 4.688 4.120 -0.001 0.000 0.287 747 V C 0.026 176.045 176.094 -0.124 0.000 1.020 747 V CA -0.386 61.814 62.300 -0.166 0.000 0.850 747 V CB 1.559 33.301 31.823 -0.134 0.000 0.987 747 V HN 0.846 nan 8.190 nan 0.000 0.436 748 T N 5.309 119.819 114.554 -0.072 0.000 2.792 748 T HA 0.457 4.807 4.350 -0.001 0.000 0.280 748 T C -0.436 174.289 174.700 0.041 0.000 0.990 748 T CA -0.593 61.520 62.100 0.021 0.000 0.960 748 T CB 1.219 70.138 68.868 0.083 0.000 0.939 748 T HN 0.671 nan 8.240 nan 0.000 0.439 749 K N 2.293 122.736 120.400 0.071 0.000 2.413 749 K HA 0.689 5.009 4.320 -0.001 0.000 0.257 749 K C -0.482 176.176 176.600 0.096 0.000 0.946 749 K CA -0.588 55.741 56.287 0.070 0.000 0.823 749 K CB 1.103 33.637 32.500 0.057 0.000 1.109 749 K HN 0.800 nan 8.250 nan 0.000 0.427 750 G N 2.336 111.190 108.800 0.089 0.000 2.642 750 G HA2 0.175 4.135 3.960 -0.001 0.000 0.293 750 G HA3 0.175 4.135 3.960 -0.001 0.000 0.293 750 G C -0.257 174.688 174.900 0.075 0.000 1.341 750 G CA -0.634 44.522 45.100 0.092 0.000 0.916 750 G HN 0.626 nan 8.290 nan 0.000 0.474 751 K N -0.159 120.281 120.400 0.068 0.000 2.097 751 K HA 0.138 4.458 4.320 -0.001 0.000 0.205 751 K C 1.953 178.589 176.600 0.061 0.000 1.050 751 K CA 1.311 57.634 56.287 0.060 0.000 0.938 751 K CB -0.205 32.328 32.500 0.054 0.000 0.718 751 K HN 0.414 nan 8.250 nan 0.000 0.442 752 L N -0.874 120.387 121.223 0.063 0.000 2.357 752 L HA 0.215 4.554 4.340 -0.001 0.000 0.211 752 L C 0.471 177.377 176.870 0.059 0.000 1.075 752 L CA 0.087 54.964 54.840 0.062 0.000 0.830 752 L CB 0.302 42.401 42.059 0.067 0.000 0.996 752 L HN 0.184 nan 8.230 nan 0.000 0.467 753 E N -0.348 119.891 120.200 0.066 0.000 2.321 753 E HA 0.374 4.724 4.350 -0.001 0.000 0.281 753 E C -1.505 175.139 176.600 0.073 0.000 0.910 753 E CA -0.209 56.230 56.400 0.065 0.000 0.770 753 E CB 2.166 31.904 29.700 0.062 0.000 1.225 753 E HN -0.130 nan 8.360 nan 0.000 0.417 754 S N 1.201 116.941 115.700 0.068 0.000 2.634 754 S HA 0.788 5.257 4.470 -0.001 0.000 0.296 754 S C -1.209 173.416 174.600 0.041 0.000 1.104 754 S CA -0.649 57.586 58.200 0.059 0.000 0.920 754 S CB 1.778 65.015 63.200 0.061 0.000 1.111 754 S HN 0.624 nan 8.310 nan 0.000 0.493 755 S N -0.162 115.539 115.700 0.001 0.000 2.565 755 S HA 0.746 5.216 4.470 -0.001 0.000 0.269 755 S C -1.739 172.768 174.600 -0.155 0.000 1.153 755 S CA -0.736 57.438 58.200 -0.044 0.000 0.835 755 S CB 1.048 64.243 63.200 -0.009 0.000 1.122 755 S HN 0.458 nan 8.310 nan 0.000 0.462 756 V N 1.836 121.599 119.914 -0.251 0.000 2.483 756 V HA 0.734 4.854 4.120 -0.001 0.000 0.297 756 V C -0.489 175.476 176.094 -0.214 0.000 1.027 756 V CA -0.412 61.673 62.300 -0.359 0.000 0.855 756 V CB 1.565 32.871 31.823 -0.861 0.000 0.995 756 V HN 0.984 nan 8.190 nan 0.000 0.424 757 S N 3.169 118.798 115.700 -0.118 0.000 2.513 757 S HA 0.789 5.259 4.470 -0.001 0.000 0.299 757 S C -0.827 173.717 174.600 -0.094 0.000 1.087 757 S CA -0.629 57.509 58.200 -0.103 0.000 1.012 757 S CB 2.166 65.409 63.200 0.073 0.000 1.044 757 S HN 0.660 nan 8.310 nan 0.000 0.485 758 V N 2.034 121.767 119.914 -0.302 0.000 2.760 758 V HA 0.810 4.930 4.120 -0.001 0.000 0.309 758 V C -0.057 175.675 176.094 -0.604 0.000 1.077 758 V CA -0.422 61.716 62.300 -0.270 0.000 0.910 758 V CB 1.780 33.576 31.823 -0.045 0.000 1.008 758 V HN 0.994 nan 8.190 nan 0.000 0.424 759 G N 7.018 115.495 108.800 -0.539 0.000 2.546 759 G HA2 0.536 4.495 3.960 -0.001 0.000 0.320 759 G HA3 0.536 4.495 3.960 -0.001 0.000 0.320 759 G C -0.557 174.218 174.900 -0.209 0.000 0.984 759 G CA -0.346 44.479 45.100 -0.458 0.000 1.183 759 G HN 0.704 nan 8.290 nan 0.000 0.443 760 L N 2.768 123.823 121.223 -0.280 0.000 2.387 760 L HA 0.394 4.733 4.340 -0.001 0.000 0.266 760 L C -2.012 174.726 176.870 -0.221 0.000 1.059 760 L CA -2.339 52.361 54.840 -0.234 0.000 0.801 760 L CB 1.776 43.620 42.059 -0.359 0.000 1.223 760 L HN 0.215 nan 8.230 nan 0.000 0.456 761 P HA 0.059 nan 4.420 nan 0.000 0.262 761 P C 0.067 177.254 177.300 -0.190 0.000 1.199 761 P CA 0.461 63.464 63.100 -0.162 0.000 0.763 761 P CB 0.880 32.515 31.700 -0.107 0.000 0.790 762 S N -0.209 115.383 115.700 -0.180 0.000 2.769 762 S HA -0.114 4.355 4.470 -0.001 0.000 0.264 762 S C 0.223 174.703 174.600 -0.200 0.000 1.288 762 S CA 1.258 59.364 58.200 -0.156 0.000 1.378 762 S CB -1.488 61.647 63.200 -0.108 0.000 1.702 762 S HN 0.398 nan 8.310 nan 0.000 0.656 763 V N 1.336 121.072 119.914 -0.297 0.000 2.711 763 V HA 0.474 4.594 4.120 -0.001 0.000 0.304 763 V C -0.247 175.613 176.094 -0.389 0.000 1.097 763 V CA -0.807 61.280 62.300 -0.356 0.000 0.906 763 V CB 2.143 33.598 31.823 -0.612 0.000 1.015 763 V HN 0.105 nan 8.190 nan 0.000 0.427 764 V N 4.025 123.723 119.914 -0.361 0.000 2.368 764 V HA 0.348 4.468 4.120 -0.001 0.000 0.266 764 V C -0.228 175.652 176.094 -0.357 0.000 1.045 764 V CA -0.366 61.621 62.300 -0.521 0.000 0.899 764 V CB 0.842 32.255 31.823 -0.683 0.000 1.006 764 V HN 0.945 nan 8.190 nan 0.000 0.470 765 H N 4.410 123.213 119.070 -0.444 0.000 2.459 765 H HA 0.610 5.165 4.556 -0.001 0.000 0.332 765 H C -0.464 174.737 175.328 -0.211 0.000 1.094 765 H CA -0.239 55.652 56.048 -0.262 0.000 1.224 765 H CB 1.272 30.902 29.762 -0.221 0.000 1.449 765 H HN 0.682 nan 8.280 nan 0.000 0.484 766 Q N 3.959 123.437 119.800 -0.537 0.000 2.323 766 Q HA 0.381 4.721 4.340 -0.001 0.000 0.271 766 Q C -1.338 174.442 176.000 -0.367 0.000 1.048 766 Q CA -0.918 54.661 55.803 -0.374 0.000 0.792 766 Q CB 1.712 30.340 28.738 -0.183 0.000 1.280 766 Q HN 0.764 nan 8.270 nan 0.000 0.441 767 T N 4.744 119.172 114.554 -0.210 0.000 2.770 767 T HA 0.548 4.897 4.350 -0.001 0.000 0.283 767 T C -0.365 174.361 174.700 0.043 0.000 0.988 767 T CA -0.318 61.784 62.100 0.002 0.000 0.957 767 T CB 0.354 69.391 68.868 0.281 0.000 0.930 767 T HN 0.453 nan 8.240 nan 0.000 0.443 768 I N 3.535 124.144 120.570 0.065 0.000 2.433 768 I HA 0.492 4.662 4.170 -0.001 0.000 0.292 768 I C -0.365 175.805 176.117 0.088 0.000 1.001 768 I CA -0.786 60.551 61.300 0.061 0.000 1.119 768 I CB 1.833 39.858 38.000 0.042 0.000 1.289 768 I HN 0.393 nan 8.210 nan 0.000 0.438 769 M N 5.812 125.465 119.600 0.088 0.000 2.253 769 M HA 0.473 4.953 4.480 -0.001 0.000 0.314 769 M C 0.219 176.561 176.300 0.069 0.000 1.019 769 M CA -0.212 55.143 55.300 0.091 0.000 0.932 769 M CB 2.016 34.686 32.600 0.117 0.000 1.606 769 M HN 0.449 nan 8.290 nan 0.000 0.430 770 R N 1.257 121.791 120.500 0.058 0.000 2.572 770 R HA 0.368 4.707 4.340 -0.001 0.000 0.370 770 R C 0.739 177.065 176.300 0.044 0.000 1.005 770 R CA 0.209 56.337 56.100 0.047 0.000 1.146 770 R CB 1.095 31.416 30.300 0.034 0.000 1.390 770 R HN 1.120 nan 8.270 nan 0.000 0.553 771 G N -0.313 108.515 108.800 0.047 0.000 2.192 771 G HA2 -0.184 3.776 3.960 -0.001 0.000 0.193 771 G HA3 -0.184 3.776 3.960 -0.001 0.000 0.193 771 G C 0.228 175.148 174.900 0.032 0.000 0.999 771 G CA -0.377 44.747 45.100 0.041 0.000 0.659 771 G HN 0.536 nan 8.290 nan 0.000 0.503 772 G N -0.293 108.527 108.800 0.032 0.000 3.195 772 G HA2 0.805 4.765 3.960 -0.001 0.000 0.217 772 G HA3 0.805 4.765 3.960 -0.001 0.000 0.217 772 G C 0.380 175.297 174.900 0.028 0.000 1.166 772 G CA 0.489 45.603 45.100 0.023 0.000 0.812 772 G HN 1.566 nan 8.290 nan 0.000 0.617 773 A N 1.357 124.192 122.820 0.024 0.000 2.540 773 A HA 0.525 4.845 4.320 -0.001 0.000 0.239 773 A C -1.854 175.763 177.584 0.056 0.000 1.061 773 A CA -0.408 51.648 52.037 0.032 0.000 0.758 773 A CB -0.482 18.534 19.000 0.027 0.000 0.991 773 A HN 0.359 nan 8.150 nan 0.000 0.502 774 P HA 0.131 nan 4.420 nan 0.000 0.270 774 P C -0.413 176.955 177.300 0.112 0.000 1.223 774 P CA -0.134 63.028 63.100 0.104 0.000 0.785 774 P CB 0.566 32.350 31.700 0.140 0.000 0.923 775 E N 1.573 121.835 120.200 0.105 0.000 2.191 775 E HA 0.384 4.734 4.350 -0.001 0.000 0.278 775 E C -0.825 175.846 176.600 0.119 0.000 0.972 775 E CA -0.687 55.778 56.400 0.108 0.000 0.804 775 E CB 0.539 30.279 29.700 0.066 0.000 1.110 775 E HN 0.192 nan 8.360 nan 0.000 0.394 776 I N 4.042 124.715 120.570 0.171 0.000 2.441 776 I HA 0.420 4.590 4.170 -0.001 0.000 0.295 776 I C -0.041 176.187 176.117 0.185 0.000 0.994 776 I CA -0.656 60.724 61.300 0.133 0.000 1.144 776 I CB 1.353 39.454 38.000 0.168 0.000 1.314 776 I HN 0.598 nan 8.210 nan 0.000 0.445 777 R N 4.527 125.066 120.500 0.065 0.000 2.561 777 R HA 0.494 4.833 4.340 -0.001 0.000 0.297 777 R C -0.998 175.346 176.300 0.073 0.000 0.969 777 R CA -0.846 55.305 56.100 0.086 0.000 0.879 777 R CB 2.056 32.365 30.300 0.016 0.000 1.178 777 R HN 0.466 nan 8.270 nan 0.000 0.445 778 N N 2.633 121.439 118.700 0.176 0.000 2.407 778 N HA 0.206 4.946 4.740 -0.001 0.000 0.277 778 N C -1.275 174.248 175.510 0.023 0.000 0.995 778 N CA -0.710 52.422 53.050 0.135 0.000 0.903 778 N CB 1.943 40.617 38.487 0.310 0.000 1.218 778 N HN 0.328 nan 8.380 nan 0.000 0.487 779 L N 3.622 124.800 121.223 -0.076 0.000 2.282 779 L HA 0.368 4.708 4.340 -0.001 0.000 0.287 779 L C -0.991 175.808 176.870 -0.118 0.000 1.075 779 L CA -0.469 54.306 54.840 -0.107 0.000 0.839 779 L CB 0.458 42.444 42.059 -0.121 0.000 1.219 779 L HN 0.218 nan 8.230 nan 0.000 0.434 780 V N 4.452 124.300 119.914 -0.110 0.000 2.350 780 V HA 0.383 4.503 4.120 -0.001 0.000 0.276 780 V C -0.451 175.603 176.094 -0.067 0.000 1.028 780 V CA -0.503 61.749 62.300 -0.080 0.000 0.860 780 V CB 1.293 33.103 31.823 -0.022 0.000 0.990 780 V HN 0.679 nan 8.190 nan 0.000 0.453 781 D N 3.967 124.327 120.400 -0.066 0.000 2.375 781 D HA 0.264 4.903 4.640 -0.001 0.000 0.259 781 D C 0.514 176.791 176.300 -0.038 0.000 1.235 781 D CA -0.416 53.556 54.000 -0.046 0.000 0.924 781 D CB 1.356 42.125 40.800 -0.051 0.000 1.143 781 D HN 0.463 nan 8.370 nan 0.000 0.529 782 I N 2.388 122.952 120.570 -0.010 0.000 2.916 782 I HA 0.060 4.230 4.170 -0.001 0.000 0.267 782 I C 1.409 177.524 176.117 -0.002 0.000 1.263 782 I CA 1.155 62.456 61.300 0.001 0.000 1.471 782 I CB -0.215 37.804 38.000 0.033 0.000 1.089 782 I HN 0.620 nan 8.210 nan 0.000 0.468 783 G N 0.825 109.622 108.800 -0.004 0.000 2.622 783 G HA2 -0.443 3.516 3.960 -0.001 0.000 0.307 783 G HA3 -0.443 3.516 3.960 -0.001 0.000 0.307 783 G C 0.610 175.517 174.900 0.011 0.000 1.226 783 G CA 0.539 45.639 45.100 -0.000 0.000 0.997 783 G HN 0.686 nan 8.290 nan 0.000 0.551 784 S N -0.063 115.644 115.700 0.012 0.000 2.583 784 S HA 0.540 5.010 4.470 -0.001 0.000 0.239 784 S C 0.782 175.393 174.600 0.018 0.000 0.966 784 S CA 0.031 58.241 58.200 0.017 0.000 0.973 784 S CB 0.093 63.305 63.200 0.019 0.000 0.794 784 S HN 0.668 nan 8.310 nan 0.000 0.463 785 L N 3.000 124.233 121.223 0.016 0.000 2.536 785 L HA 0.292 4.632 4.340 -0.001 0.000 0.282 785 L C -0.317 176.571 176.870 0.029 0.000 1.174 785 L CA -0.294 54.558 54.840 0.020 0.000 0.989 785 L CB -0.525 41.544 42.059 0.017 0.000 1.311 785 L HN 0.131 nan 8.230 nan 0.000 0.455 786 D N 2.825 123.241 120.400 0.028 0.000 2.362 786 D HA 0.044 4.683 4.640 -0.001 0.000 0.242 786 D C 0.598 176.921 176.300 0.038 0.000 1.132 786 D CA 0.189 54.208 54.000 0.032 0.000 0.907 786 D CB 0.392 41.207 40.800 0.025 0.000 1.195 786 D HN 0.320 nan 8.370 nan 0.000 0.429 787 N N 0.534 119.260 118.700 0.044 0.000 2.714 787 N HA -0.175 4.565 4.740 -0.001 0.000 0.253 787 N C -1.001 174.552 175.510 0.071 0.000 1.024 787 N CA 0.837 53.919 53.050 0.053 0.000 0.726 787 N CB -1.161 37.349 38.487 0.038 0.000 0.908 787 N HN 0.282 nan 8.380 nan 0.000 0.542 788 T N 0.511 115.112 114.554 0.078 0.000 2.916 788 T HA 0.403 4.752 4.350 -0.001 0.000 0.298 788 T C -0.346 174.422 174.700 0.113 0.000 1.031 788 T CA -0.708 61.450 62.100 0.096 0.000 0.993 788 T CB 2.260 71.170 68.868 0.070 0.000 1.045 788 T HN 0.038 nan 8.240 nan 0.000 0.454 789 E N 2.450 122.747 120.200 0.161 0.000 2.199 789 E HA 0.424 4.774 4.350 -0.001 0.000 0.265 789 E C -0.748 175.969 176.600 0.196 0.000 0.882 789 E CA -0.941 55.553 56.400 0.158 0.000 0.759 789 E CB 1.861 31.634 29.700 0.122 0.000 1.148 789 E HN 0.298 nan 8.360 nan 0.000 0.412 790 I N 2.947 123.616 120.570 0.165 0.000 2.331 790 I HA 0.238 4.407 4.170 -0.001 0.000 0.292 790 I C 0.033 176.282 176.117 0.219 0.000 0.998 790 I CA -0.642 60.767 61.300 0.180 0.000 1.267 790 I CB 1.216 39.312 38.000 0.159 0.000 1.386 790 I HN 0.295 nan 8.210 nan 0.000 0.476 791 V N 8.257 128.296 119.914 0.209 0.000 2.628 791 V HA 0.519 4.638 4.120 -0.001 0.000 0.306 791 V C -0.336 175.780 176.094 0.036 0.000 1.045 791 V CA -0.800 61.606 62.300 0.178 0.000 0.905 791 V CB 2.224 34.203 31.823 0.260 0.000 0.997 791 V HN 0.766 nan 8.190 nan 0.000 0.436 792 M N 7.247 126.795 119.600 -0.087 0.000 2.129 792 M HA 0.562 5.041 4.480 -0.001 0.000 0.348 792 M C -0.550 175.594 176.300 -0.261 0.000 1.116 792 M CA -0.447 54.575 55.300 -0.464 0.000 1.022 792 M CB 0.611 32.894 32.600 -0.529 0.000 1.599 792 M HN 0.756 nan 8.290 nan 0.000 0.449 793 R N 4.661 124.995 120.500 -0.278 0.000 2.711 793 R HA 0.712 5.051 4.340 -0.001 0.000 0.284 793 R C -1.949 174.243 176.300 -0.182 0.000 0.968 793 R CA -0.625 55.376 56.100 -0.165 0.000 0.924 793 R CB 1.513 31.737 30.300 -0.127 0.000 1.162 793 R HN 0.812 nan 8.270 nan 0.000 0.465 794 L N 3.246 124.346 121.223 -0.204 0.000 2.313 794 L HA 0.427 4.767 4.340 -0.001 0.000 0.283 794 L C -0.588 176.166 176.870 -0.193 0.000 1.013 794 L CA -0.471 54.180 54.840 -0.316 0.000 0.816 794 L CB 1.995 43.822 42.059 -0.387 0.000 1.236 794 L HN 0.632 nan 8.230 nan 0.000 0.419 795 E N 2.124 122.228 120.200 -0.159 0.000 2.158 795 E HA 0.515 4.865 4.350 -0.001 0.000 0.271 795 E C -0.624 175.922 176.600 -0.091 0.000 0.911 795 E CA -0.495 55.865 56.400 -0.067 0.000 0.767 795 E CB 2.198 31.905 29.700 0.012 0.000 1.120 795 E HN 0.606 nan 8.360 nan 0.000 0.405 796 T N -0.918 113.600 114.554 -0.060 0.000 2.804 796 T HA 0.326 4.676 4.350 -0.001 0.000 0.290 796 T C -0.080 174.654 174.700 0.057 0.000 1.099 796 T CA -0.835 61.200 62.100 -0.108 0.000 1.011 796 T CB 1.106 69.922 68.868 -0.087 0.000 1.291 796 T HN 0.414 nan 8.240 nan 0.000 0.523 797 H N 0.115 119.173 119.070 -0.020 0.000 2.503 797 H HA 0.479 5.035 4.556 -0.001 0.000 0.296 797 H C 0.022 175.347 175.328 -0.005 0.000 1.097 797 H CA -1.029 55.013 56.048 -0.010 0.000 1.055 797 H CB -0.764 28.993 29.762 -0.009 0.000 1.580 797 H HN 0.459 nan 8.280 nan 0.000 0.546 798 I N 1.216 121.841 120.570 0.093 0.000 2.556 798 I HA -0.079 4.090 4.170 -0.001 0.000 0.284 798 I C 0.680 176.838 176.117 0.069 0.000 1.114 798 I CA 0.068 61.407 61.300 0.065 0.000 1.418 798 I CB 0.662 38.690 38.000 0.047 0.000 1.394 798 I HN 0.010 nan 8.210 nan 0.000 0.552 799 D N 4.374 124.810 120.400 0.061 0.000 2.741 799 D HA 0.048 4.688 4.640 -0.001 0.000 0.233 799 D C 1.189 177.527 176.300 0.064 0.000 1.160 799 D CA -0.063 53.969 54.000 0.054 0.000 1.003 799 D CB 0.383 41.208 40.800 0.041 0.000 1.064 799 D HN 0.533 nan 8.370 nan 0.000 0.503 800 S N 0.312 116.057 115.700 0.074 0.000 2.496 800 S HA 0.267 4.737 4.470 -0.001 0.000 0.224 800 S C 1.591 176.242 174.600 0.085 0.000 0.996 800 S CA 0.262 58.519 58.200 0.096 0.000 0.927 800 S CB -0.127 63.142 63.200 0.116 0.000 0.774 800 S HN 0.531 nan 8.310 nan 0.000 0.524 801 G N 3.189 112.028 108.800 0.065 0.000 2.543 801 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.286 801 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.286 801 G C 0.131 175.072 174.900 0.068 0.000 1.153 801 G CA 0.557 45.691 45.100 0.056 0.000 0.968 801 G HN 0.749 nan 8.290 nan 0.000 0.544 802 D N 0.153 120.597 120.400 0.074 0.000 2.440 802 D HA 0.343 4.983 4.640 -0.001 0.000 0.216 802 D C 0.743 177.125 176.300 0.136 0.000 1.150 802 D CA -0.218 53.844 54.000 0.102 0.000 0.832 802 D CB 0.284 41.130 40.800 0.077 0.000 0.992 802 D HN 0.463 nan 8.370 nan 0.000 0.502 803 I N 1.469 122.102 120.570 0.104 0.000 2.437 803 I HA 0.493 4.663 4.170 -0.001 0.000 0.298 803 I C -0.197 176.002 176.117 0.138 0.000 0.984 803 I CA -1.027 60.278 61.300 0.009 0.000 1.214 803 I CB 0.613 38.588 38.000 -0.042 0.000 1.365 803 I HN -0.028 nan 8.210 nan 0.000 0.469 804 F N 4.364 124.137 119.950 -0.295 0.000 2.711 804 F HA 0.680 5.206 4.527 -0.001 0.000 0.313 804 F C -2.063 173.391 175.800 -0.576 0.000 1.141 804 F CA -1.410 56.440 58.000 -0.250 0.000 0.941 804 F CB 1.183 40.108 39.000 -0.126 0.000 1.349 804 F HN 0.187 nan 8.300 nan 0.000 0.464 805 Y N 0.054 120.134 120.300 -0.367 0.000 2.425 805 Y HA 0.691 5.241 4.550 -0.001 0.000 0.344 805 Y C 0.006 175.743 175.900 -0.272 0.000 0.969 805 Y CA -0.710 57.040 58.100 -0.583 0.000 1.052 805 Y CB 2.459 40.147 38.460 -1.287 0.000 1.215 805 Y HN 0.893 nan 8.280 nan 0.000 0.451 806 T N -1.328 113.161 114.554 -0.107 0.000 2.896 806 T HA 0.457 4.806 4.350 -0.001 0.000 0.297 806 T C -1.070 173.447 174.700 -0.305 0.000 1.108 806 T CA -1.087 60.964 62.100 -0.083 0.000 1.004 806 T CB 2.010 70.804 68.868 -0.123 0.000 1.159 806 T HN 0.590 nan 8.240 nan 0.000 0.499 807 D N 1.281 121.343 120.400 -0.564 0.000 2.348 807 D HA 0.337 4.977 4.640 -0.001 0.000 0.249 807 D C -0.600 175.429 176.300 -0.452 0.000 1.110 807 D CA -0.778 52.697 54.000 -0.877 0.000 0.967 807 D CB 1.212 41.243 40.800 -1.282 0.000 1.139 807 D HN 0.559 nan 8.370 nan 0.000 0.466 808 L N 1.115 122.116 121.223 -0.371 0.000 2.316 808 L HA 0.208 4.547 4.340 -0.001 0.000 0.280 808 L C -0.087 176.660 176.870 -0.205 0.000 1.006 808 L CA -0.765 53.950 54.840 -0.208 0.000 0.836 808 L CB 0.423 42.422 42.059 -0.100 0.000 1.221 808 L HN 0.476 nan 8.230 nan 0.000 0.418 809 N N 2.135 120.724 118.700 -0.186 0.000 2.714 809 N HA -0.233 4.506 4.740 -0.001 0.000 0.250 809 N C 0.975 176.290 175.510 -0.325 0.000 1.117 809 N CA 0.892 53.834 53.050 -0.180 0.000 0.719 809 N CB -1.041 37.409 38.487 -0.062 0.000 1.081 809 N HN 1.070 nan 8.380 nan 0.000 0.557 810 G N -1.672 106.940 108.800 -0.312 0.000 2.168 810 G HA2 -0.334 3.626 3.960 -0.001 0.000 0.263 810 G HA3 -0.334 3.626 3.960 -0.001 0.000 0.263 810 G C 0.613 175.482 174.900 -0.052 0.000 0.977 810 G CA 0.663 45.602 45.100 -0.268 0.000 0.659 810 G HN 0.470 nan 8.290 nan 0.000 0.533 811 L N -0.284 120.845 121.223 -0.158 0.000 2.467 811 L HA 0.503 4.842 4.340 -0.001 0.000 0.213 811 L C 1.016 177.769 176.870 -0.196 0.000 1.053 811 L CA 1.970 56.630 54.840 -0.300 0.000 0.847 811 L CB 0.138 41.851 42.059 -0.577 0.000 1.075 811 L HN 0.691 nan 8.230 nan 0.000 0.479 812 Q N -1.794 117.896 119.800 -0.182 0.000 2.482 812 Q HA 0.367 4.707 4.340 -0.001 0.000 0.286 812 Q C -1.684 174.211 176.000 -0.174 0.000 1.007 812 Q CA -0.745 55.019 55.803 -0.066 0.000 0.801 812 Q CB 1.250 30.011 28.738 0.038 0.000 1.455 812 Q HN -0.041 nan 8.270 nan 0.000 0.398 813 F N 1.283 121.193 119.950 -0.066 0.000 2.436 813 F HA 0.594 5.120 4.527 -0.001 0.000 0.340 813 F C -0.202 175.560 175.800 -0.062 0.000 1.113 813 F CA -0.842 57.128 58.000 -0.050 0.000 1.022 813 F CB 1.692 40.706 39.000 0.023 0.000 1.128 813 F HN 0.532 nan 8.300 nan 0.000 0.466 814 I N 3.874 124.445 120.570 0.002 0.000 2.474 814 I HA 0.331 4.500 4.170 -0.001 0.000 0.294 814 I C -0.470 175.501 176.117 -0.244 0.000 1.005 814 I CA -0.874 60.376 61.300 -0.082 0.000 1.113 814 I CB 1.284 39.190 38.000 -0.158 0.000 1.289 814 I HN 0.500 nan 8.210 nan 0.000 0.436 815 K N 6.811 127.020 120.400 -0.319 0.000 2.368 815 K HA 0.253 4.573 4.320 -0.001 0.000 0.282 815 K C -0.850 175.301 176.600 -0.748 0.000 1.035 815 K CA -0.336 55.491 56.287 -0.768 0.000 0.973 815 K CB 0.519 32.686 32.500 -0.555 0.000 0.957 815 K HN 0.517 nan 8.250 nan 0.000 0.474 816 R N 3.213 123.092 120.500 -1.035 0.000 2.778 816 R HA 0.373 4.712 4.340 -0.001 0.000 0.277 816 R C -0.511 175.297 176.300 -0.821 0.000 0.977 816 R CA -0.808 54.628 56.100 -1.107 0.000 0.950 816 R CB 1.572 30.692 30.300 -1.966 0.000 1.165 816 R HN 0.673 nan 8.270 nan 0.000 0.474 817 R N 1.365 121.595 120.500 -0.450 0.000 2.476 817 R HA 0.290 4.630 4.340 -0.001 0.000 0.305 817 R C -0.561 175.784 176.300 0.074 0.000 0.965 817 R CA -0.682 55.329 56.100 -0.149 0.000 0.867 817 R CB 1.648 31.899 30.300 -0.080 0.000 1.176 817 R HN 0.557 nan 8.270 nan 0.000 0.447 818 R N 4.880 125.529 120.500 0.249 0.000 2.522 818 R HA 0.127 4.467 4.340 -0.001 0.000 0.284 818 R C -0.968 175.416 176.300 0.140 0.000 1.032 818 R CA 0.232 56.503 56.100 0.285 0.000 1.049 818 R CB 0.397 30.850 30.300 0.255 0.000 0.956 818 R HN 0.529 nan 8.270 nan 0.000 0.422 819 L N 4.916 126.200 121.223 0.102 0.000 2.343 819 L HA 0.223 4.562 4.340 -0.001 0.000 0.278 819 L C 0.193 177.062 176.870 -0.002 0.000 0.996 819 L CA -0.701 54.159 54.840 0.035 0.000 0.831 819 L CB 2.019 44.073 42.059 -0.007 0.000 1.232 819 L HN 0.683 nan 8.230 nan 0.000 0.413 820 D N 1.667 122.072 120.400 0.008 0.000 2.348 820 D HA -0.114 4.525 4.640 -0.001 0.000 0.216 820 D C 1.673 177.961 176.300 -0.020 0.000 0.970 820 D CA 0.771 54.770 54.000 -0.002 0.000 0.889 820 D CB 0.361 41.167 40.800 0.011 0.000 0.912 820 D HN 0.559 nan 8.370 nan 0.000 0.524 821 K N 0.262 120.644 120.400 -0.030 0.000 2.504 821 K HA 0.007 4.327 4.320 -0.001 0.000 0.195 821 K C 0.672 177.217 176.600 -0.091 0.000 1.036 821 K CA 0.369 56.636 56.287 -0.034 0.000 0.984 821 K CB 0.316 32.815 32.500 -0.001 0.000 0.788 821 K HN 0.105 nan 8.250 nan 0.000 0.488 822 L N 2.312 123.444 121.223 -0.153 0.000 2.330 822 L HA 0.460 4.800 4.340 -0.001 0.000 0.271 822 L C -2.273 174.498 176.870 -0.165 0.000 1.013 822 L CA -2.927 51.776 54.840 -0.227 0.000 0.816 822 L CB 1.546 43.375 42.059 -0.384 0.000 1.287 822 L HN -0.049 nan 8.230 nan 0.000 0.435 823 P HA 0.034 nan 4.420 nan 0.000 0.272 823 P C 0.855 178.041 177.300 -0.191 0.000 1.240 823 P CA -0.406 62.607 63.100 -0.144 0.000 0.791 823 P CB 1.225 32.865 31.700 -0.100 0.000 0.978 824 L N 0.833 121.971 121.223 -0.142 0.000 2.021 824 L HA -0.278 4.061 4.340 -0.001 0.000 0.215 824 L C 2.444 179.237 176.870 -0.129 0.000 1.074 824 L CA 1.932 56.712 54.840 -0.101 0.000 0.760 824 L CB -0.625 41.368 42.059 -0.108 0.000 0.889 824 L HN 0.430 nan 8.230 nan 0.000 0.433 825 Q N -0.486 119.131 119.800 -0.305 0.000 2.364 825 Q HA -0.125 4.215 4.340 -0.001 0.000 0.207 825 Q C 1.835 177.737 176.000 -0.164 0.000 0.970 825 Q CA 1.329 56.984 55.803 -0.247 0.000 0.888 825 Q CB -0.398 28.107 28.738 -0.389 0.000 0.951 825 Q HN 0.602 nan 8.270 nan 0.000 0.469 826 A N 1.477 123.994 122.820 -0.504 0.000 2.119 826 A HA -0.021 4.299 4.320 -0.001 0.000 0.216 826 A C 1.592 178.985 177.584 -0.318 0.000 1.152 826 A CA 0.603 52.187 52.037 -0.755 0.000 0.708 826 A CB -0.156 18.064 19.000 -1.300 0.000 0.805 826 A HN 0.323 nan 8.150 nan 0.000 0.460 827 N N -1.071 117.560 118.700 -0.115 0.000 2.398 827 N HA 0.053 4.792 4.740 -0.001 0.000 0.188 827 N C -0.863 174.732 175.510 0.142 0.000 1.122 827 N CA 0.229 53.326 53.050 0.078 0.000 0.866 827 N CB 0.047 38.630 38.487 0.160 0.000 0.970 827 N HN 0.461 nan 8.380 nan 0.000 0.462 828 Y N 0.216 120.457 120.300 -0.098 0.000 2.304 828 Y HA 0.222 4.772 4.550 -0.001 0.000 0.328 828 Y C -0.192 175.632 175.900 -0.126 0.000 1.123 828 Y CA -0.144 57.981 58.100 0.041 0.000 1.218 828 Y CB 0.447 39.013 38.460 0.176 0.000 1.207 828 Y HN -0.068 nan 8.280 nan 0.000 0.495 829 Y N 3.034 123.467 120.300 0.222 0.000 2.609 829 Y HA 0.454 5.003 4.550 -0.001 0.000 0.342 829 Y C -2.347 173.248 175.900 -0.508 0.000 1.058 829 Y CA -2.908 55.173 58.100 -0.032 0.000 1.055 829 Y CB 1.551 39.987 38.460 -0.038 0.000 1.292 829 Y HN 0.426 nan 8.280 nan 0.000 0.476 830 P HA 0.157 nan 4.420 nan 0.000 0.271 830 P C -0.627 176.430 177.300 -0.405 0.000 1.216 830 P CA 0.196 62.715 63.100 -0.969 0.000 0.776 830 P CB 0.635 31.645 31.700 -1.149 0.000 0.881 831 I N 4.966 125.383 120.570 -0.256 0.000 2.620 831 I HA 0.170 4.339 4.170 -0.001 0.000 0.280 831 I C -1.707 174.340 176.117 -0.116 0.000 1.143 831 I CA -2.450 58.771 61.300 -0.132 0.000 1.163 831 I CB 0.812 38.792 38.000 -0.034 0.000 1.461 831 I HN 0.192 nan 8.210 nan 0.000 0.530 832 P HA 0.021 nan 4.420 nan 0.000 0.223 832 P C 0.922 178.192 177.300 -0.049 0.000 1.151 832 P CA 0.977 64.009 63.100 -0.114 0.000 0.787 832 P CB 0.793 32.398 31.700 -0.158 0.000 0.788 833 S N -2.661 113.013 115.700 -0.044 0.000 2.590 833 S HA 0.448 4.917 4.470 -0.001 0.000 0.281 833 S C 0.666 175.351 174.600 0.142 0.000 1.068 833 S CA 0.271 58.501 58.200 0.049 0.000 1.193 833 S CB 1.181 64.421 63.200 0.068 0.000 1.040 833 S HN 0.400 nan 8.310 nan 0.000 0.544 834 G N 1.671 110.559 108.800 0.147 0.000 2.451 834 G HA2 0.583 4.543 3.960 -0.001 0.000 0.292 834 G HA3 0.583 4.543 3.960 -0.001 0.000 0.292 834 G C -1.788 173.353 174.900 0.402 0.000 1.427 834 G CA -0.547 44.756 45.100 0.340 0.000 0.792 834 G HN 0.313 nan 8.290 nan 0.000 0.498 835 M N -0.914 118.952 119.600 0.444 0.000 2.603 835 M HA 0.865 5.345 4.480 -0.001 0.000 0.275 835 M C -1.770 174.768 176.300 0.397 0.000 1.226 835 M CA -1.015 54.510 55.300 0.375 0.000 0.870 835 M CB 2.472 35.197 32.600 0.209 0.000 1.716 835 M HN 1.213 nan 8.290 nan 0.000 0.482 836 F N 0.866 120.960 119.950 0.239 0.000 2.668 836 F HA 0.908 5.435 4.527 -0.001 0.000 0.309 836 F C -1.699 174.231 175.800 0.217 0.000 1.117 836 F CA -1.164 56.912 58.000 0.127 0.000 0.951 836 F CB 1.187 40.168 39.000 -0.031 0.000 1.323 836 F HN 0.773 nan 8.300 nan 0.000 0.451 837 I N -0.081 120.721 120.570 0.386 0.000 2.785 837 I HA 0.879 5.049 4.170 -0.001 0.000 0.302 837 I C -1.369 174.931 176.117 0.305 0.000 1.069 837 I CA -0.889 60.602 61.300 0.319 0.000 1.045 837 I CB 2.390 40.497 38.000 0.177 0.000 1.236 837 I HN 0.946 nan 8.210 nan 0.000 0.429 838 E N 2.097 122.463 120.200 0.276 0.000 2.430 838 E HA 0.575 4.925 4.350 -0.001 0.000 0.279 838 E C -2.013 174.669 176.600 0.137 0.000 1.003 838 E CA -0.842 55.662 56.400 0.174 0.000 0.801 838 E CB 2.273 32.065 29.700 0.153 0.000 1.313 838 E HN 0.738 nan 8.360 nan 0.000 0.459 839 D N 0.452 120.902 120.400 0.083 0.000 2.784 839 D HA 0.445 5.085 4.640 -0.001 0.000 0.256 839 D C 0.868 177.196 176.300 0.045 0.000 1.129 839 D CA -0.195 53.846 54.000 0.068 0.000 1.102 839 D CB 0.040 40.874 40.800 0.056 0.000 1.330 839 D HN 0.447 nan 8.370 nan 0.000 0.626 840 A N -0.664 122.177 122.820 0.035 0.000 1.978 840 A HA -0.172 4.148 4.320 -0.001 0.000 0.220 840 A C 1.531 179.118 177.584 0.005 0.000 1.170 840 A CA 1.640 53.689 52.037 0.021 0.000 0.636 840 A CB -0.735 18.275 19.000 0.018 0.000 0.810 840 A HN 0.518 nan 8.150 nan 0.000 0.448 841 N N -1.801 116.901 118.700 0.004 0.000 2.460 841 N HA 0.073 4.812 4.740 -0.001 0.000 0.193 841 N C -0.349 175.149 175.510 -0.019 0.000 1.080 841 N CA 0.766 53.811 53.050 -0.008 0.000 0.869 841 N CB 0.547 39.032 38.487 -0.004 0.000 1.201 841 N HN 0.301 nan 8.380 nan 0.000 0.457 842 T N 0.586 115.133 114.554 -0.011 0.000 2.893 842 T HA 0.457 4.806 4.350 -0.001 0.000 0.293 842 T C -0.599 174.090 174.700 -0.018 0.000 1.027 842 T CA -0.648 61.439 62.100 -0.022 0.000 0.988 842 T CB 2.840 71.701 68.868 -0.012 0.000 1.043 842 T HN -0.042 nan 8.240 nan 0.000 0.461 843 R N 1.949 122.421 120.500 -0.047 0.000 2.686 843 R HA 0.722 5.061 4.340 -0.001 0.000 0.283 843 R C -1.953 174.319 176.300 -0.046 0.000 0.978 843 R CA -0.891 55.182 56.100 -0.045 0.000 0.897 843 R CB 1.291 31.500 30.300 -0.152 0.000 1.192 843 R HN 0.449 nan 8.270 nan 0.000 0.457 844 L N 2.733 123.959 121.223 0.005 0.000 2.343 844 L HA 0.488 4.827 4.340 -0.001 0.000 0.278 844 L C -1.302 175.601 176.870 0.055 0.000 0.996 844 L CA 0.088 54.924 54.840 -0.006 0.000 0.831 844 L CB 2.199 44.242 42.059 -0.026 0.000 1.232 844 L HN 0.636 nan 8.230 nan 0.000 0.413 845 T N 5.722 120.288 114.554 0.019 0.000 2.807 845 T HA 0.539 4.888 4.350 -0.001 0.000 0.279 845 T C -0.978 173.778 174.700 0.092 0.000 0.993 845 T CA -0.270 61.879 62.100 0.082 0.000 0.970 845 T CB 1.350 70.196 68.868 -0.038 0.000 0.950 845 T HN 0.437 nan 8.240 nan 0.000 0.441 846 L N 5.311 126.624 121.223 0.150 0.000 2.298 846 L HA 0.516 4.855 4.340 -0.001 0.000 0.284 846 L C -1.186 175.821 176.870 0.229 0.000 1.013 846 L CA -0.690 54.248 54.840 0.164 0.000 0.824 846 L CB 0.437 42.571 42.059 0.125 0.000 1.221 846 L HN 0.414 nan 8.230 nan 0.000 0.418 847 L N 4.195 125.554 121.223 0.227 0.000 2.343 847 L HA 0.621 4.961 4.340 -0.001 0.000 0.275 847 L C 0.291 177.305 176.870 0.239 0.000 1.056 847 L CA -0.191 54.783 54.840 0.223 0.000 0.804 847 L CB 1.409 43.566 42.059 0.163 0.000 1.203 847 L HN 0.601 nan 8.230 nan 0.000 0.440 848 T N 0.554 115.204 114.554 0.160 0.000 2.887 848 T HA 0.489 4.839 4.350 -0.001 0.000 0.288 848 T C 0.820 175.481 174.700 -0.064 0.000 1.021 848 T CA -0.325 61.793 62.100 0.031 0.000 1.000 848 T CB 1.950 70.858 68.868 0.067 0.000 1.034 848 T HN 0.779 nan 8.240 nan 0.000 0.467 849 G N 1.332 110.019 108.800 -0.188 0.000 3.189 849 G HA2 0.318 4.278 3.960 -0.001 0.000 0.225 849 G HA3 0.318 4.278 3.960 -0.001 0.000 0.225 849 G C 0.141 174.971 174.900 -0.118 0.000 1.159 849 G CA -0.245 44.773 45.100 -0.138 0.000 0.763 849 G HN 0.586 nan 8.290 nan 0.000 0.549 850 Q N -0.101 119.626 119.800 -0.121 0.000 2.426 850 Q HA 0.334 4.673 4.340 -0.001 0.000 0.278 850 Q C -3.513 172.449 176.000 -0.062 0.000 1.007 850 Q CA -2.471 53.289 55.803 -0.072 0.000 0.850 850 Q CB 1.997 30.710 28.738 -0.042 0.000 1.427 850 Q HN -0.022 nan 8.270 nan 0.000 0.391 851 P HA 0.440 nan 4.420 nan 0.000 0.281 851 P C -0.692 176.597 177.300 -0.019 0.000 1.252 851 P CA -0.129 62.955 63.100 -0.027 0.000 0.778 851 P CB 0.982 32.673 31.700 -0.015 0.000 0.895 852 L N 1.685 122.891 121.223 -0.028 0.000 2.397 852 L HA 0.689 5.029 4.340 -0.001 0.000 0.251 852 L C 0.736 177.623 176.870 0.029 0.000 1.064 852 L CA -1.144 53.702 54.840 0.011 0.000 0.859 852 L CB 2.039 44.091 42.059 -0.011 0.000 1.468 852 L HN 0.334 nan 8.230 nan 0.000 0.411 853 G N -1.023 107.851 108.800 0.124 0.000 2.400 853 G HA2 0.683 4.643 3.960 -0.001 0.000 0.301 853 G HA3 0.683 4.643 3.960 -0.001 0.000 0.301 853 G C -0.550 174.387 174.900 0.063 0.000 1.154 853 G CA 0.062 45.294 45.100 0.220 0.000 0.852 853 G HN 0.866 nan 8.290 nan 0.000 0.511 854 G N -1.390 107.267 108.800 -0.238 0.000 2.550 854 G HA2 0.686 4.645 3.960 -0.001 0.000 0.293 854 G HA3 0.686 4.645 3.960 -0.001 0.000 0.293 854 G C -1.204 173.250 174.900 -0.743 0.000 1.402 854 G CA 0.406 45.166 45.100 -0.568 0.000 0.784 854 G HN 1.296 nan 8.290 nan 0.000 0.482 855 S N -1.889 113.428 115.700 -0.639 0.000 2.655 855 S HA 0.709 5.179 4.470 -0.001 0.000 0.266 855 S C -1.555 172.589 174.600 -0.759 0.000 1.149 855 S CA 0.325 58.138 58.200 -0.646 0.000 0.818 855 S CB 1.305 64.180 63.200 -0.542 0.000 1.130 855 S HN 1.569 nan 8.310 nan 0.000 0.476 856 S N 1.690 116.648 115.700 -1.237 0.000 2.718 856 S HA 0.502 4.972 4.470 -0.001 0.000 0.294 856 S C 0.124 174.473 174.600 -0.418 0.000 1.157 856 S CA -0.647 57.107 58.200 -0.743 0.000 1.121 856 S CB -0.014 62.712 63.200 -0.790 0.000 1.015 856 S HN 0.578 nan 8.310 nan 0.000 0.479 857 L N 3.261 124.376 121.223 -0.180 0.000 2.592 857 L HA 0.510 4.850 4.340 -0.001 0.000 0.227 857 L C 0.836 177.697 176.870 -0.014 0.000 1.127 857 L CA 0.188 55.002 54.840 -0.044 0.000 0.884 857 L CB 0.055 42.147 42.059 0.055 0.000 1.065 857 L HN 0.700 nan 8.230 nan 0.000 0.457 858 A N -1.169 121.630 122.820 -0.035 0.000 2.612 858 A HA 0.473 4.792 4.320 -0.001 0.000 0.293 858 A C -0.468 177.112 177.584 -0.006 0.000 1.075 858 A CA -0.434 51.599 52.037 -0.005 0.000 0.680 858 A CB 1.255 20.258 19.000 0.005 0.000 1.279 858 A HN -0.137 nan 8.150 nan 0.000 0.411 859 S N -0.113 115.597 115.700 0.016 0.000 2.558 859 S HA 0.398 4.867 4.470 -0.001 0.000 0.293 859 S C 1.508 176.125 174.600 0.029 0.000 1.292 859 S CA 1.829 60.047 58.200 0.029 0.000 1.063 859 S CB -0.081 63.139 63.200 0.033 0.000 0.831 859 S HN 2.655 nan 8.310 nan 0.000 0.499 860 G N 3.377 112.197 108.800 0.034 0.000 2.179 860 G HA2 -0.209 3.751 3.960 -0.001 0.000 0.260 860 G HA3 -0.209 3.751 3.960 -0.001 0.000 0.260 860 G C -0.167 174.731 174.900 -0.002 0.000 0.977 860 G CA 0.505 45.626 45.100 0.035 0.000 0.641 860 G HN 0.723 nan 8.290 nan 0.000 0.533 861 E N -0.511 119.671 120.200 -0.029 0.000 2.212 861 E HA 0.759 5.109 4.350 -0.001 0.000 0.270 861 E C -0.146 176.390 176.600 -0.108 0.000 0.956 861 E CA -0.719 55.641 56.400 -0.068 0.000 0.825 861 E CB 1.771 31.431 29.700 -0.066 0.000 1.167 861 E HN 0.237 nan 8.360 nan 0.000 0.400 862 L N 1.890 123.041 121.223 -0.120 0.000 2.388 862 L HA 0.472 4.812 4.340 -0.001 0.000 0.264 862 L C -0.556 176.234 176.870 -0.132 0.000 0.998 862 L CA -0.625 54.132 54.840 -0.138 0.000 0.817 862 L CB 1.994 43.999 42.059 -0.089 0.000 1.338 862 L HN 0.671 nan 8.230 nan 0.000 0.414 863 E N 2.976 123.090 120.200 -0.143 0.000 2.390 863 E HA 0.722 5.072 4.350 -0.001 0.000 0.277 863 E C -1.594 174.951 176.600 -0.091 0.000 0.939 863 E CA -0.844 55.503 56.400 -0.088 0.000 0.769 863 E CB 2.991 32.686 29.700 -0.009 0.000 1.251 863 E HN 0.462 nan 8.360 nan 0.000 0.450 864 I N 2.044 122.599 120.570 -0.025 0.000 2.571 864 I HA 0.227 4.397 4.170 -0.001 0.000 0.289 864 I C -0.835 175.343 176.117 0.102 0.000 1.115 864 I CA -1.106 60.205 61.300 0.018 0.000 1.045 864 I CB 2.107 40.118 38.000 0.019 0.000 1.238 864 I HN 0.637 nan 8.210 nan 0.000 0.424 865 M N 5.065 124.765 119.600 0.167 0.000 2.238 865 M HA 0.148 4.627 4.480 -0.001 0.000 0.347 865 M C 0.853 177.249 176.300 0.160 0.000 1.173 865 M CA 0.673 56.078 55.300 0.176 0.000 1.147 865 M CB 0.646 33.324 32.600 0.131 0.000 1.547 865 M HN 0.460 nan 8.290 nan 0.000 0.455 866 Q N 1.374 121.302 119.800 0.212 0.000 2.387 866 Q HA 0.264 4.604 4.340 -0.001 0.000 0.212 866 Q C -0.300 175.906 176.000 0.342 0.000 0.925 866 Q CA 0.778 56.773 55.803 0.320 0.000 0.901 866 Q CB 0.434 29.394 28.738 0.370 0.000 1.020 866 Q HN 0.767 nan 8.270 nan 0.000 0.545 867 D N -0.863 119.670 120.400 0.222 0.000 2.653 867 D HA 0.283 4.922 4.640 -0.001 0.000 0.258 867 D C -1.432 174.940 176.300 0.119 0.000 1.252 867 D CA -0.471 53.636 54.000 0.180 0.000 0.777 867 D CB 1.469 42.365 40.800 0.161 0.000 1.339 867 D HN 0.035 nan 8.370 nan 0.000 0.422 868 R N 0.816 121.375 120.500 0.099 0.000 2.584 868 R HA 0.705 5.044 4.340 -0.001 0.000 0.276 868 R C -1.071 175.273 176.300 0.075 0.000 1.046 868 R CA -1.058 55.085 56.100 0.071 0.000 0.906 868 R CB 2.179 32.494 30.300 0.025 0.000 1.215 868 R HN 0.330 nan 8.270 nan 0.000 0.449 869 R N 3.638 124.179 120.500 0.069 0.000 2.483 869 R HA 0.473 4.813 4.340 -0.001 0.000 0.303 869 R C -1.552 174.783 176.300 0.058 0.000 0.987 869 R CA -0.564 55.574 56.100 0.063 0.000 0.881 869 R CB 1.346 31.679 30.300 0.056 0.000 1.177 869 R HN 0.718 nan 8.270 nan 0.000 0.451 870 L N 3.923 125.179 121.223 0.055 0.000 2.409 870 L HA 0.519 4.858 4.340 -0.001 0.000 0.272 870 L C 0.722 177.617 176.870 0.042 0.000 0.980 870 L CA -0.548 54.322 54.840 0.050 0.000 0.826 870 L CB 2.172 44.263 42.059 0.052 0.000 1.268 870 L HN 0.827 nan 8.230 nan 0.000 0.407 871 A N 1.607 124.448 122.820 0.035 0.000 2.067 871 A HA 0.132 4.452 4.320 -0.001 0.000 0.217 871 A C 0.951 178.551 177.584 0.026 0.000 1.156 871 A CA 0.687 52.740 52.037 0.028 0.000 0.683 871 A CB 0.012 19.024 19.000 0.021 0.000 0.808 871 A HN 0.600 nan 8.150 nan 0.000 0.455 872 S N -0.020 115.696 115.700 0.027 0.000 2.608 872 S HA 0.401 4.871 4.470 -0.001 0.000 0.291 872 S C -0.612 174.006 174.600 0.031 0.000 1.146 872 S CA -0.646 57.567 58.200 0.023 0.000 1.043 872 S CB 1.435 64.644 63.200 0.015 0.000 1.037 872 S HN 0.487 nan 8.310 nan 0.000 0.520 873 D N 0.593 121.011 120.400 0.030 0.000 2.345 873 D HA 0.174 4.813 4.640 -0.001 0.000 0.247 873 D C -0.090 176.227 176.300 0.028 0.000 1.108 873 D CA -0.315 53.710 54.000 0.042 0.000 0.894 873 D CB 0.650 41.472 40.800 0.037 0.000 1.203 873 D HN 0.495 nan 8.370 nan 0.000 0.430 874 D N 2.109 122.530 120.400 0.035 0.000 2.525 874 D HA 0.065 4.705 4.640 -0.001 0.000 0.229 874 D C -0.381 175.879 176.300 -0.066 0.000 1.202 874 D CA -0.304 53.685 54.000 -0.018 0.000 0.828 874 D CB -0.482 40.299 40.800 -0.030 0.000 1.008 874 D HN 0.702 nan 8.370 nan 0.000 0.493 875 E N -0.354 119.830 120.200 -0.026 0.000 2.868 875 E HA -0.216 4.133 4.350 -0.001 0.000 0.278 875 E C 0.248 176.810 176.600 -0.064 0.000 1.009 875 E CA 0.227 56.608 56.400 -0.031 0.000 0.856 875 E CB -0.865 28.816 29.700 -0.032 0.000 1.428 875 E HN 0.181 nan 8.360 nan 0.000 0.423 876 R N -0.497 119.933 120.500 -0.116 0.000 2.546 876 R HA 0.237 4.577 4.340 -0.001 0.000 0.320 876 R C 1.335 177.696 176.300 0.101 0.000 1.021 876 R CA 0.632 56.598 56.100 -0.225 0.000 1.088 876 R CB 0.929 30.651 30.300 -0.964 0.000 1.278 876 R HN 0.419 nan 8.270 nan 0.000 0.557 877 G N 0.767 109.685 108.800 0.197 0.000 2.195 877 G HA2 -0.293 3.666 3.960 -0.001 0.000 0.224 877 G HA3 -0.293 3.666 3.960 -0.001 0.000 0.224 877 G C 0.731 175.683 174.900 0.088 0.000 0.990 877 G CA 0.263 45.528 45.100 0.274 0.000 0.639 877 G HN 0.310 nan 8.290 nan 0.000 0.514 878 L N 1.312 122.696 121.223 0.267 0.000 2.109 878 L HA 0.469 4.808 4.340 -0.001 0.000 0.207 878 L C 2.202 179.059 176.870 -0.022 0.000 1.086 878 L CA 2.769 57.683 54.840 0.123 0.000 0.760 878 L CB -0.610 41.680 42.059 0.386 0.000 0.910 878 L HN 1.700 nan 8.230 nan 0.000 0.437 879 G N -0.368 108.449 108.800 0.029 0.000 2.176 879 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.252 879 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.252 879 G C 0.058 174.963 174.900 0.010 0.000 1.024 879 G CA 0.618 45.718 45.100 -0.000 0.000 0.755 879 G HN 0.798 nan 8.290 nan 0.000 0.507 880 Q N -1.971 117.851 119.800 0.037 0.000 2.633 880 Q HA 0.676 5.015 4.340 -0.001 0.000 0.289 880 Q C 0.418 176.450 176.000 0.053 0.000 0.940 880 Q CA -0.613 55.213 55.803 0.037 0.000 0.785 880 Q CB 0.458 29.216 28.738 0.034 0.000 1.467 880 Q HN 0.963 nan 8.270 nan 0.000 0.401 881 G N 0.033 108.860 108.800 0.045 0.000 2.494 881 G HA2 0.477 4.437 3.960 -0.001 0.000 0.270 881 G HA3 0.477 4.437 3.960 -0.001 0.000 0.270 881 G C -0.892 174.041 174.900 0.056 0.000 1.423 881 G CA -0.616 44.513 45.100 0.049 0.000 1.055 881 G HN 0.395 nan 8.290 nan 0.000 0.536 882 V N 0.842 120.790 119.914 0.056 0.000 2.284 882 V HA 0.333 4.452 4.120 -0.001 0.000 0.274 882 V C 0.127 176.259 176.094 0.063 0.000 1.023 882 V CA -0.129 62.211 62.300 0.066 0.000 0.808 882 V CB 0.824 32.690 31.823 0.071 0.000 1.035 882 V HN 0.538 nan 8.190 nan 0.000 0.445 883 L N 3.330 124.589 121.223 0.059 0.000 3.229 883 L HA 0.325 4.665 4.340 -0.001 0.000 0.286 883 L C 0.551 177.452 176.870 0.051 0.000 1.239 883 L CA 0.025 54.895 54.840 0.050 0.000 1.035 883 L CB 0.716 42.799 42.059 0.039 0.000 1.408 883 L HN 0.658 nan 8.230 nan 0.000 0.593 884 D N -2.153 118.286 120.400 0.065 0.000 2.559 884 D HA 0.063 4.702 4.640 -0.001 0.000 0.234 884 D C 0.126 176.469 176.300 0.073 0.000 1.226 884 D CA -0.463 53.576 54.000 0.066 0.000 0.830 884 D CB -0.401 40.446 40.800 0.078 0.000 1.028 884 D HN 0.070 nan 8.370 nan 0.000 0.492 885 N N 1.683 120.423 118.700 0.067 0.000 2.395 885 N HA 0.108 4.847 4.740 -0.001 0.000 0.246 885 N C 0.183 175.703 175.510 0.016 0.000 1.246 885 N CA 0.367 53.455 53.050 0.064 0.000 0.879 885 N CB 0.648 39.170 38.487 0.058 0.000 1.098 885 N HN 0.319 nan 8.380 nan 0.000 0.444 886 K N -0.432 119.962 120.400 -0.010 0.000 2.536 886 K HA 0.551 4.870 4.320 -0.001 0.000 0.269 886 K C -3.258 173.309 176.600 -0.056 0.000 0.965 886 K CA -2.041 54.195 56.287 -0.085 0.000 0.860 886 K CB 1.262 33.623 32.500 -0.232 0.000 1.423 886 K HN 0.121 nan 8.250 nan 0.000 0.438 887 P HA -0.030 nan 4.420 nan 0.000 0.262 887 P C -1.019 176.296 177.300 0.025 0.000 1.182 887 P CA -0.397 62.681 63.100 -0.036 0.000 0.761 887 P CB 0.727 32.397 31.700 -0.051 0.000 0.795 888 V N 5.358 125.256 119.914 -0.028 0.000 2.709 888 V HA 0.468 4.587 4.120 -0.001 0.000 0.308 888 V C -1.242 174.723 176.094 -0.214 0.000 1.062 888 V CA -1.126 61.138 62.300 -0.060 0.000 0.901 888 V CB 2.045 33.814 31.823 -0.089 0.000 1.003 888 V HN 0.280 nan 8.190 nan 0.000 0.425 889 L N 7.165 128.294 121.223 -0.156 0.000 2.270 889 L HA 0.582 4.922 4.340 -0.001 0.000 0.286 889 L C -0.327 176.518 176.870 -0.042 0.000 1.059 889 L CA 0.189 54.967 54.840 -0.105 0.000 0.839 889 L CB 0.238 42.259 42.059 -0.063 0.000 1.221 889 L HN 0.705 nan 8.230 nan 0.000 0.431 890 H N 5.646 124.726 119.070 0.017 0.000 2.525 890 H HA 0.497 5.053 4.556 -0.001 0.000 0.339 890 H C -0.124 175.091 175.328 -0.189 0.000 1.109 890 H CA -0.229 55.767 56.048 -0.086 0.000 1.352 890 H CB 1.339 31.116 29.762 0.025 0.000 1.461 890 H HN 0.699 nan 8.280 nan 0.000 0.533 891 I N 0.140 120.531 120.570 -0.299 0.000 2.689 891 I HA 0.598 4.767 4.170 -0.001 0.000 0.299 891 I C -1.472 174.298 176.117 -0.578 0.000 1.059 891 I CA -0.924 60.216 61.300 -0.266 0.000 1.055 891 I CB 2.122 40.059 38.000 -0.103 0.000 1.243 891 I HN 0.249 nan 8.210 nan 0.000 0.425 892 Y N 2.805 123.146 120.300 0.069 0.000 2.625 892 Y HA 0.699 5.248 4.550 -0.001 0.000 0.338 892 Y C -0.580 175.365 175.900 0.075 0.000 1.123 892 Y CA -1.079 57.068 58.100 0.078 0.000 1.046 892 Y CB 1.622 40.149 38.460 0.112 0.000 1.299 892 Y HN 0.425 nan 8.280 nan 0.000 0.464 893 R N 1.354 122.005 120.500 0.253 0.000 2.750 893 R HA 0.621 4.961 4.340 -0.001 0.000 0.281 893 R C -1.923 174.482 176.300 0.175 0.000 0.972 893 R CA -1.166 55.038 56.100 0.174 0.000 0.912 893 R CB 2.597 32.960 30.300 0.104 0.000 1.187 893 R HN 0.639 nan 8.270 nan 0.000 0.464 894 L N 2.256 123.563 121.223 0.139 0.000 2.342 894 L HA 0.435 4.774 4.340 -0.001 0.000 0.276 894 L C -1.252 175.644 176.870 0.042 0.000 0.997 894 L CA -0.577 54.322 54.840 0.097 0.000 0.838 894 L CB 1.842 43.970 42.059 0.115 0.000 1.224 894 L HN 0.307 nan 8.230 nan 0.000 0.416 895 V N 6.172 126.094 119.914 0.014 0.000 2.350 895 V HA 0.416 4.535 4.120 -0.001 0.000 0.285 895 V C -0.358 175.708 176.094 -0.047 0.000 1.014 895 V CA -0.586 61.703 62.300 -0.018 0.000 0.831 895 V CB 1.435 33.240 31.823 -0.031 0.000 1.000 895 V HN 0.633 nan 8.190 nan 0.000 0.433 896 L N 5.380 126.572 121.223 -0.052 0.000 2.289 896 L HA 0.686 5.025 4.340 -0.001 0.000 0.285 896 L C -0.155 176.673 176.870 -0.070 0.000 1.049 896 L CA 0.624 55.425 54.840 -0.065 0.000 0.804 896 L CB 1.131 43.149 42.059 -0.069 0.000 1.195 896 L HN 0.728 nan 8.230 nan 0.000 0.428 897 E N 3.580 123.732 120.200 -0.080 0.000 2.356 897 E HA 0.411 4.760 4.350 -0.001 0.000 0.275 897 E C -1.254 175.299 176.600 -0.079 0.000 0.904 897 E CA -1.207 55.142 56.400 -0.085 0.000 0.757 897 E CB 1.566 31.198 29.700 -0.112 0.000 1.232 897 E HN 0.235 nan 8.360 nan 0.000 0.442 898 K N 1.508 121.867 120.400 -0.070 0.000 2.297 898 K HA 0.166 4.486 4.320 -0.001 0.000 0.286 898 K C 0.406 176.963 176.600 -0.071 0.000 1.053 898 K CA -0.157 56.093 56.287 -0.061 0.000 0.940 898 K CB 1.048 33.518 32.500 -0.051 0.000 1.019 898 K HN 0.477 nan 8.250 nan 0.000 0.475 899 V N -0.205 119.668 119.914 -0.068 0.000 3.253 899 V HA 0.038 4.157 4.120 -0.001 0.000 0.320 899 V C 1.146 177.206 176.094 -0.057 0.000 1.442 899 V CA -0.287 61.965 62.300 -0.079 0.000 1.097 899 V CB -0.262 31.498 31.823 -0.104 0.000 1.008 899 V HN 0.611 nan 8.190 nan 0.000 0.463 900 N N 1.435 120.110 118.700 -0.042 0.000 2.364 900 N HA -0.175 4.565 4.740 -0.001 0.000 0.183 900 N C 1.005 176.495 175.510 -0.033 0.000 1.022 900 N CA 1.598 54.630 53.050 -0.030 0.000 0.883 900 N CB -0.474 37.999 38.487 -0.023 0.000 0.965 900 N HN 0.536 nan 8.380 nan 0.000 0.438 901 N N 0.049 118.724 118.700 -0.041 0.000 2.336 901 N HA 0.074 4.813 4.740 -0.001 0.000 0.189 901 N C -0.267 175.212 175.510 -0.050 0.000 1.113 901 N CA -0.105 52.920 53.050 -0.041 0.000 0.858 901 N CB 0.081 38.543 38.487 -0.041 0.000 0.970 901 N HN 0.211 nan 8.380 nan 0.000 0.471 902 c N 1.278 119.842 118.600 -0.060 0.000 2.601 902 c HA 0.263 4.832 4.570 -0.001 0.000 0.409 902 c C 1.018 175.071 174.090 -0.063 0.000 1.293 902 c CA -0.916 55.369 56.329 -0.074 0.000 2.101 902 c CB 0.763 43.215 42.510 -0.097 0.000 2.639 902 c HN 0.010 nan 8.230 nan 0.000 0.592 903 V N 5.706 125.579 119.914 -0.069 0.000 2.370 903 V HA 0.225 4.345 4.120 -0.001 0.000 0.257 903 V C 0.612 176.668 176.094 -0.065 0.000 1.064 903 V CA 0.342 62.606 62.300 -0.061 0.000 0.975 903 V CB -0.585 31.198 31.823 -0.067 0.000 1.067 903 V HN 0.798 nan 8.190 nan 0.000 0.485 904 R N 4.602 125.076 120.500 -0.043 0.000 2.758 904 R HA 0.549 4.889 4.340 -0.001 0.000 0.265 904 R C -2.486 173.806 176.300 -0.015 0.000 1.016 904 R CA -1.908 54.174 56.100 -0.029 0.000 1.040 904 R CB 1.131 31.418 30.300 -0.021 0.000 1.152 904 R HN 0.386 nan 8.270 nan 0.000 0.503 905 P HA -0.045 nan 4.420 nan 0.000 0.269 905 P C -0.364 176.973 177.300 0.061 0.000 1.217 905 P CA -0.141 62.940 63.100 -0.031 0.000 0.783 905 P CB 0.575 32.177 31.700 -0.162 0.000 0.898 906 S N 1.147 116.910 115.700 0.105 0.000 2.596 906 S HA 0.088 4.558 4.470 -0.001 0.000 0.260 906 S C 1.090 175.770 174.600 0.134 0.000 1.336 906 S CA -0.177 58.088 58.200 0.109 0.000 0.993 906 S CB 0.331 63.596 63.200 0.108 0.000 0.923 906 S HN 0.315 nan 8.310 nan 0.000 0.567 907 K N 0.186 120.646 120.400 0.100 0.000 2.280 907 K HA 0.028 4.347 4.320 -0.001 0.000 0.202 907 K C 1.476 178.132 176.600 0.093 0.000 1.047 907 K CA 1.178 57.522 56.287 0.094 0.000 0.942 907 K CB -0.540 31.999 32.500 0.065 0.000 0.739 907 K HN 0.550 nan 8.250 nan 0.000 0.457 908 L N 0.022 121.301 121.223 0.095 0.000 2.592 908 L HA 0.030 4.369 4.340 -0.001 0.000 0.227 908 L C 1.021 177.942 176.870 0.086 0.000 1.127 908 L CA -0.212 54.668 54.840 0.067 0.000 0.884 908 L CB -0.181 41.903 42.059 0.041 0.000 1.065 908 L HN 0.233 nan 8.230 nan 0.000 0.457 909 H N 2.539 121.646 119.070 0.061 0.000 2.764 909 H HA 0.081 4.636 4.556 -0.001 0.000 0.341 909 H C -1.678 173.690 175.328 0.066 0.000 1.072 909 H CA -1.397 54.700 56.048 0.082 0.000 1.444 909 H CB 1.807 31.644 29.762 0.126 0.000 1.458 909 H HN -0.084 nan 8.280 nan 0.000 0.572 910 P HA 0.111 nan 4.420 nan 0.000 0.245 910 P C -0.314 177.092 177.300 0.176 0.000 1.206 910 P CA 0.242 63.376 63.100 0.056 0.000 0.781 910 P CB 0.493 32.153 31.700 -0.067 0.000 0.994 911 A N -0.340 122.755 122.820 0.458 0.000 2.299 911 A HA 0.753 5.073 4.320 -0.001 0.000 0.332 911 A C 0.263 177.914 177.584 0.113 0.000 1.131 911 A CA -0.320 51.854 52.037 0.229 0.000 0.844 911 A CB 1.101 20.222 19.000 0.201 0.000 1.251 911 A HN 0.167 nan 8.150 nan 0.000 0.486 912 G N -1.411 107.324 108.800 -0.108 0.000 2.658 912 G HA2 0.639 4.599 3.960 -0.001 0.000 0.292 912 G HA3 0.639 4.599 3.960 -0.001 0.000 0.292 912 G C -1.854 172.677 174.900 -0.615 0.000 1.320 912 G CA -0.423 44.508 45.100 -0.281 0.000 0.933 912 G HN 0.537 nan 8.290 nan 0.000 0.476 913 Y N -0.948 119.323 120.300 -0.047 0.000 2.534 913 Y HA 0.495 5.045 4.550 -0.001 0.000 0.345 913 Y C 0.301 175.964 175.900 -0.394 0.000 1.031 913 Y CA -0.851 57.153 58.100 -0.161 0.000 1.022 913 Y CB 2.030 40.383 38.460 -0.179 0.000 1.292 913 Y HN 0.349 nan 8.280 nan 0.000 0.459 914 L N 2.176 123.249 121.223 -0.250 0.000 2.453 914 L HA 0.379 4.719 4.340 -0.001 0.000 0.261 914 L C 0.721 177.438 176.870 -0.255 0.000 1.179 914 L CA -0.576 54.030 54.840 -0.389 0.000 0.813 914 L CB 0.863 42.777 42.059 -0.242 0.000 1.110 914 L HN 0.801 nan 8.230 nan 0.000 0.466 915 T N -2.348 112.042 114.554 -0.273 0.000 2.816 915 T HA 0.032 4.382 4.350 -0.001 0.000 0.282 915 T C 1.192 175.837 174.700 -0.092 0.000 0.993 915 T CA -0.131 61.862 62.100 -0.179 0.000 0.994 915 T CB 1.423 70.182 68.868 -0.181 0.000 1.025 915 T HN 0.638 nan 8.240 nan 0.000 0.529 916 S N 0.722 116.380 115.700 -0.069 0.000 2.365 916 S HA -0.169 4.301 4.470 -0.001 0.000 0.225 916 S C 2.329 176.935 174.600 0.010 0.000 1.039 916 S CA 1.529 59.721 58.200 -0.014 0.000 1.033 916 S CB -1.239 61.937 63.200 -0.041 0.000 0.887 916 S HN 0.941 nan 8.310 nan 0.000 0.447 917 A N 1.030 123.833 122.820 -0.029 0.000 1.930 917 A HA 0.302 4.621 4.320 -0.001 0.000 0.217 917 A C 2.451 180.026 177.584 -0.014 0.000 1.175 917 A CA 1.735 53.758 52.037 -0.023 0.000 0.627 917 A CB -1.244 17.733 19.000 -0.037 0.000 0.815 917 A HN 0.807 nan 8.150 nan 0.000 0.443 918 A N -0.960 121.839 122.820 -0.034 0.000 1.929 918 A HA -0.087 4.233 4.320 -0.001 0.000 0.216 918 A C 1.998 179.609 177.584 0.045 0.000 1.176 918 A CA 1.902 53.924 52.037 -0.026 0.000 0.628 918 A CB -0.803 18.128 19.000 -0.115 0.000 0.816 918 A HN 0.745 nan 8.150 nan 0.000 0.444 919 H N 0.157 119.211 119.070 -0.027 0.000 2.321 919 H HA -0.036 4.519 4.556 -0.001 0.000 0.300 919 H C 1.916 177.275 175.328 0.052 0.000 1.087 919 H CA 2.188 58.256 56.048 0.034 0.000 1.319 919 H CB -0.095 29.681 29.762 0.024 0.000 1.379 919 H HN 0.402 nan 8.280 nan 0.000 0.501 920 K N -0.190 120.175 120.400 -0.059 0.000 2.097 920 K HA -0.090 4.230 4.320 -0.001 0.000 0.206 920 K C 2.377 178.938 176.600 -0.064 0.000 1.049 920 K CA 0.914 57.146 56.287 -0.092 0.000 0.933 920 K CB -0.153 32.338 32.500 -0.016 0.000 0.717 920 K HN 0.389 nan 8.250 nan 0.000 0.442 921 A N 0.906 123.711 122.820 -0.024 0.000 1.902 921 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 921 A C 2.217 179.799 177.584 -0.004 0.000 1.181 921 A CA 2.045 54.081 52.037 -0.002 0.000 0.623 921 A CB -0.658 18.356 19.000 0.022 0.000 0.818 921 A HN 0.287 nan 8.150 nan 0.000 0.443 922 S N -0.636 115.065 115.700 0.001 0.000 2.368 922 S HA -0.241 4.228 4.470 -0.001 0.000 0.225 922 S C 2.135 176.714 174.600 -0.036 0.000 1.030 922 S CA 1.739 59.954 58.200 0.025 0.000 0.999 922 S CB -0.415 62.847 63.200 0.102 0.000 0.844 922 S HN 0.681 nan 8.310 nan 0.000 0.459 923 Q N 0.642 120.375 119.800 -0.111 0.000 2.170 923 Q HA -0.095 4.245 4.340 -0.001 0.000 0.203 923 Q C 2.509 178.455 176.000 -0.091 0.000 0.976 923 Q CA 1.701 57.439 55.803 -0.108 0.000 0.858 923 Q CB -0.331 28.326 28.738 -0.136 0.000 0.907 923 Q HN 0.816 nan 8.270 nan 0.000 0.433 924 S N 0.309 115.967 115.700 -0.071 0.000 2.423 924 S HA -0.086 4.383 4.470 -0.001 0.000 0.231 924 S C 1.865 176.404 174.600 -0.102 0.000 1.014 924 S CA 0.710 58.866 58.200 -0.074 0.000 0.965 924 S CB -0.253 62.923 63.200 -0.040 0.000 0.785 924 S HN 0.283 nan 8.310 nan 0.000 0.495 925 L N 0.021 121.193 121.223 -0.086 0.000 2.127 925 L HA 0.210 4.550 4.340 -0.001 0.000 0.203 925 L C 2.527 179.304 176.870 -0.155 0.000 1.080 925 L CA 0.784 55.563 54.840 -0.101 0.000 0.768 925 L CB -0.386 41.637 42.059 -0.059 0.000 0.924 925 L HN 0.282 nan 8.230 nan 0.000 0.444 926 L N -1.228 119.909 121.223 -0.143 0.000 2.249 926 L HA 0.039 4.379 4.340 -0.001 0.000 0.207 926 L C 0.163 176.871 176.870 -0.270 0.000 1.090 926 L CA 0.743 55.475 54.840 -0.179 0.000 0.802 926 L CB 0.127 42.116 42.059 -0.117 0.000 0.947 926 L HN 0.196 nan 8.230 nan 0.000 0.453 927 D N 0.476 120.717 120.400 -0.265 0.000 2.613 927 D HA 0.234 4.874 4.640 -0.001 0.000 0.312 927 D C -2.365 173.708 176.300 -0.378 0.000 1.202 927 D CA -1.023 52.768 54.000 -0.348 0.000 0.825 927 D CB 1.310 42.092 40.800 -0.029 0.000 1.113 927 D HN 0.039 nan 8.370 nan 0.000 0.502 928 P HA 0.104 nan 4.420 nan 0.000 0.273 928 P C 0.623 177.784 177.300 -0.231 0.000 1.250 928 P CA -0.477 62.435 63.100 -0.314 0.000 0.793 928 P CB 1.486 32.999 31.700 -0.312 0.000 1.011 929 L N 1.045 122.201 121.223 -0.111 0.000 2.514 929 L HA 0.049 4.389 4.340 -0.001 0.000 0.280 929 L C 0.913 177.794 176.870 0.019 0.000 1.223 929 L CA 0.505 55.337 54.840 -0.015 0.000 0.864 929 L CB -0.344 41.720 42.059 0.010 0.000 1.118 929 L HN 0.285 nan 8.230 nan 0.000 0.494 930 D N 3.509 124.009 120.400 0.166 0.000 2.255 930 D HA 0.300 4.940 4.640 -0.001 0.000 0.249 930 D C -0.298 176.056 176.300 0.090 0.000 1.078 930 D CA -0.248 53.838 54.000 0.144 0.000 0.896 930 D CB 1.585 42.563 40.800 0.298 0.000 1.194 930 D HN 0.372 nan 8.370 nan 0.000 0.429 931 K N 1.574 121.916 120.400 -0.096 0.000 2.376 931 K HA 0.430 4.749 4.320 -0.001 0.000 0.257 931 K C -0.987 175.585 176.600 -0.047 0.000 0.939 931 K CA -0.631 55.709 56.287 0.090 0.000 0.809 931 K CB 1.463 33.965 32.500 0.004 0.000 1.121 931 K HN 0.227 nan 8.250 nan 0.000 0.425 932 F N 2.716 122.876 119.950 0.349 0.000 2.495 932 F HA 0.505 5.032 4.527 -0.001 0.000 0.327 932 F C 0.129 176.222 175.800 0.488 0.000 1.103 932 F CA -0.923 57.272 58.000 0.326 0.000 0.949 932 F CB 1.270 40.308 39.000 0.064 0.000 1.142 932 F HN 0.195 nan 8.300 nan 0.000 0.457 933 I N 3.367 124.325 120.570 0.646 0.000 2.362 933 I HA 0.216 4.386 4.170 -0.001 0.000 0.289 933 I C -0.591 175.806 176.117 0.467 0.000 0.994 933 I CA -0.843 60.757 61.300 0.500 0.000 1.158 933 I CB 1.298 39.491 38.000 0.323 0.000 1.315 933 I HN 0.432 nan 8.210 nan 0.000 0.451 934 F N 5.672 125.781 119.950 0.266 0.000 2.578 934 F HA 0.178 4.704 4.527 -0.001 0.000 0.376 934 F C 1.214 176.928 175.800 -0.145 0.000 1.085 934 F CA 0.129 57.986 58.000 -0.239 0.000 1.260 934 F CB 1.175 40.053 39.000 -0.204 0.000 1.095 934 F HN 0.603 nan 8.300 nan 0.000 0.573 935 A N 4.161 126.349 122.820 -1.053 0.000 2.021 935 A HA 0.081 4.400 4.320 -0.001 0.000 0.216 935 A C 0.991 178.296 177.584 -0.464 0.000 1.163 935 A CA 0.618 52.297 52.037 -0.598 0.000 0.676 935 A CB -0.261 18.372 19.000 -0.612 0.000 0.818 935 A HN 0.668 nan 8.150 nan 0.000 0.453 936 E N -0.639 119.139 120.200 -0.703 0.000 2.446 936 E HA 0.232 4.581 4.350 -0.001 0.000 0.251 936 E C 0.146 176.869 176.600 0.205 0.000 1.087 936 E CA -0.754 55.562 56.400 -0.140 0.000 0.937 936 E CB 0.195 29.868 29.700 -0.044 0.000 1.254 936 E HN 0.152 nan 8.360 nan 0.000 0.479 937 N N 0.566 119.394 118.700 0.214 0.000 2.250 937 N HA -0.084 4.655 4.740 -0.001 0.000 0.181 937 N C 0.005 175.679 175.510 0.274 0.000 1.017 937 N CA 0.850 54.032 53.050 0.221 0.000 0.866 937 N CB 0.365 38.934 38.487 0.137 0.000 0.985 937 N HN 0.440 nan 8.380 nan 0.000 0.429 938 E N -0.749 119.629 120.200 0.296 0.000 2.275 938 E HA 0.124 4.473 4.350 -0.001 0.000 0.270 938 E C -1.557 175.120 176.600 0.129 0.000 0.882 938 E CA -0.718 55.779 56.400 0.162 0.000 0.758 938 E CB 1.221 30.983 29.700 0.103 0.000 1.195 938 E HN -0.008 nan 8.360 nan 0.000 0.419 939 W N 7.993 128.979 121.300 -0.523 0.000 2.298 939 W HA 0.408 5.068 4.660 -0.001 0.000 0.327 939 W C -1.300 175.016 176.519 -0.338 0.000 0.988 939 W CA -1.468 55.426 57.345 -0.751 0.000 1.448 939 W CB -0.025 28.509 29.460 -1.543 0.000 1.243 939 W HN 0.464 nan 8.180 nan 0.000 0.388 940 I N 6.148 126.805 120.570 0.144 0.000 2.496 940 I HA 0.240 4.409 4.170 -0.001 0.000 0.285 940 I C 1.459 177.577 176.117 0.001 0.000 1.080 940 I CA 1.030 62.350 61.300 0.033 0.000 1.404 940 I CB 0.562 38.607 38.000 0.074 0.000 1.403 940 I HN 0.788 nan 8.210 nan 0.000 0.539 941 G N 4.341 113.056 108.800 -0.143 0.000 2.157 941 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.248 941 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.248 941 G C 0.430 175.098 174.900 -0.386 0.000 0.979 941 G CA -0.079 44.923 45.100 -0.164 0.000 0.650 941 G HN 0.985 nan 8.290 nan 0.000 0.529 942 A N -0.228 122.099 122.820 -0.821 0.000 2.540 942 A HA 0.544 4.864 4.320 -0.001 0.000 0.239 942 A C 0.595 177.760 177.584 -0.698 0.000 1.061 942 A CA 0.902 52.089 52.037 -1.417 0.000 0.758 942 A CB 0.205 18.072 19.000 -1.888 0.000 0.991 942 A HN 0.650 nan 8.150 nan 0.000 0.502 943 Q N 0.884 120.353 119.800 -0.551 0.000 2.351 943 Q HA 0.535 4.875 4.340 -0.001 0.000 0.273 943 Q C 1.129 177.018 176.000 -0.184 0.000 1.077 943 Q CA -0.260 55.383 55.803 -0.266 0.000 0.843 943 Q CB 1.814 30.463 28.738 -0.147 0.000 1.367 943 Q HN 0.776 nan 8.270 nan 0.000 0.449 944 G N -0.037 108.696 108.800 -0.113 0.000 2.603 944 G HA2 -0.051 3.908 3.960 -0.001 0.000 0.214 944 G HA3 -0.051 3.908 3.960 -0.001 0.000 0.214 944 G C 0.185 175.068 174.900 -0.028 0.000 1.140 944 G CA 0.558 45.609 45.100 -0.081 0.000 0.800 944 G HN 0.432 nan 8.290 nan 0.000 0.533 945 Q N -1.457 118.340 119.800 -0.004 0.000 2.527 945 Q HA 0.511 4.850 4.340 -0.001 0.000 0.280 945 Q C -2.377 173.655 176.000 0.052 0.000 0.977 945 Q CA -0.904 54.913 55.803 0.023 0.000 0.837 945 Q CB 2.190 30.925 28.738 -0.004 0.000 1.454 945 Q HN 0.057 nan 8.270 nan 0.000 0.387 946 F N 1.113 120.979 119.950 -0.140 0.000 2.556 946 F HA 0.647 5.173 4.527 -0.001 0.000 0.314 946 F C 0.532 176.094 175.800 -0.396 0.000 1.106 946 F CA 0.468 58.318 58.000 -0.250 0.000 0.911 946 F CB 2.081 40.942 39.000 -0.232 0.000 1.190 946 F HN 0.670 nan 8.300 nan 0.000 0.448 947 G N 3.043 110.884 108.800 -1.600 0.000 2.141 947 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.231 947 G C 1.034 175.269 174.900 -1.108 0.000 0.984 947 G CA 0.264 44.146 45.100 -2.031 0.000 0.660 947 G HN 1.563 nan 8.290 nan 0.000 0.525 948 G N 1.108 109.551 108.800 -0.595 0.000 2.479 948 G HA2 0.009 3.968 3.960 -0.001 0.000 0.220 948 G HA3 0.009 3.968 3.960 -0.001 0.000 0.220 948 G C 1.214 176.057 174.900 -0.095 0.000 1.115 948 G CA 1.778 46.760 45.100 -0.196 0.000 0.757 948 G HN 0.846 nan 8.290 nan 0.000 0.560 949 D N -0.875 119.382 120.400 -0.239 0.000 2.340 949 D HA 0.030 4.670 4.640 -0.001 0.000 0.217 949 D C 0.304 176.605 176.300 0.001 0.000 1.081 949 D CA -0.511 53.444 54.000 -0.075 0.000 0.842 949 D CB -0.896 39.866 40.800 -0.063 0.000 0.934 949 D HN 0.455 nan 8.370 nan 0.000 0.511 950 H N 1.173 120.145 119.070 -0.162 0.000 2.764 950 H HA 0.232 4.788 4.556 -0.001 0.000 0.341 950 H C -1.978 173.326 175.328 -0.039 0.000 1.072 950 H CA -1.771 54.204 56.048 -0.122 0.000 1.444 950 H CB 0.610 30.249 29.762 -0.204 0.000 1.458 950 H HN -0.009 nan 8.280 nan 0.000 0.572 951 P HA -0.064 nan 4.420 nan 0.000 0.265 951 P C -0.557 176.816 177.300 0.122 0.000 1.193 951 P CA 0.108 63.275 63.100 0.112 0.000 0.765 951 P CB 0.715 32.457 31.700 0.070 0.000 0.823 952 S N 2.282 118.089 115.700 0.178 0.000 2.415 952 S HA 0.568 5.038 4.470 -0.001 0.000 0.313 952 S C 0.047 174.754 174.600 0.178 0.000 1.067 952 S CA -0.590 57.744 58.200 0.223 0.000 1.099 952 S CB -0.671 62.779 63.200 0.418 0.000 0.991 952 S HN 0.500 nan 8.310 nan 0.000 0.491 953 A N 4.500 127.416 122.820 0.161 0.000 2.332 953 A HA 0.487 4.807 4.320 -0.001 0.000 0.258 953 A C 0.582 178.225 177.584 0.099 0.000 1.087 953 A CA -0.527 51.581 52.037 0.118 0.000 0.802 953 A CB 0.202 19.271 19.000 0.115 0.000 1.042 953 A HN 0.907 nan 8.150 nan 0.000 0.489 954 R N 0.043 120.570 120.500 0.045 0.000 2.638 954 R HA -0.045 4.295 4.340 -0.001 0.000 0.268 954 R C 1.422 177.722 176.300 -0.000 0.000 1.006 954 R CA 0.965 57.064 56.100 -0.002 0.000 1.088 954 R CB 0.322 30.608 30.300 -0.024 0.000 0.950 954 R HN 0.921 nan 8.270 nan 0.000 0.419 955 E N 1.789 121.950 120.200 -0.066 0.000 2.265 955 E HA -0.228 4.122 4.350 -0.001 0.000 0.196 955 E C 0.314 176.935 176.600 0.034 0.000 0.996 955 E CA 1.534 57.876 56.400 -0.097 0.000 0.832 955 E CB -0.055 29.564 29.700 -0.135 0.000 0.756 955 E HN 0.741 nan 8.360 nan 0.000 0.491 956 D N 0.630 121.015 120.400 -0.025 0.000 2.349 956 D HA -0.000 4.639 4.640 -0.001 0.000 0.224 956 D C 0.311 176.604 176.300 -0.012 0.000 1.029 956 D CA -0.108 53.840 54.000 -0.088 0.000 0.879 956 D CB -0.020 40.671 40.800 -0.182 0.000 0.906 956 D HN 0.170 nan 8.370 nan 0.000 0.528 957 L N 0.756 122.020 121.223 0.069 0.000 2.309 957 L HA 0.519 4.859 4.340 -0.001 0.000 0.282 957 L C -1.104 175.891 176.870 0.208 0.000 1.036 957 L CA -0.467 54.434 54.840 0.102 0.000 0.806 957 L CB 1.680 43.786 42.059 0.079 0.000 1.220 957 L HN -0.221 nan 8.230 nan 0.000 0.429 958 D N 2.368 122.914 120.400 0.243 0.000 2.575 958 D HA 0.362 5.002 4.640 -0.001 0.000 0.236 958 D C -1.270 175.187 176.300 0.263 0.000 1.075 958 D CA -0.269 53.896 54.000 0.275 0.000 0.860 958 D CB 2.434 43.442 40.800 0.347 0.000 1.475 958 D HN 0.237 nan 8.370 nan 0.000 0.474 959 V N 3.453 123.499 119.914 0.220 0.000 2.267 959 V HA 0.114 4.233 4.120 -0.001 0.000 0.254 959 V C 1.318 177.542 176.094 0.218 0.000 1.144 959 V CA 0.020 62.460 62.300 0.233 0.000 0.992 959 V CB 0.386 32.332 31.823 0.206 0.000 1.199 959 V HN 0.577 nan 8.190 nan 0.000 0.493 960 S N 3.073 118.930 115.700 0.261 0.000 2.382 960 S HA -0.015 4.454 4.470 -0.001 0.000 0.228 960 S C 0.671 175.317 174.600 0.077 0.000 1.027 960 S CA 0.871 59.175 58.200 0.173 0.000 0.991 960 S CB 0.167 63.528 63.200 0.268 0.000 0.823 960 S HN 0.500 nan 8.310 nan 0.000 0.469 961 V N 1.498 121.501 119.914 0.148 0.000 2.760 961 V HA 0.538 4.658 4.120 -0.001 0.000 0.309 961 V C -0.761 175.406 176.094 0.122 0.000 1.077 961 V CA -0.557 61.810 62.300 0.111 0.000 0.910 961 V CB 1.894 33.812 31.823 0.158 0.000 1.008 961 V HN 0.372 nan 8.190 nan 0.000 0.424 962 M N 5.579 125.171 119.600 -0.013 0.000 2.204 962 M HA 0.676 5.155 4.480 -0.001 0.000 0.293 962 M C -1.147 174.989 176.300 -0.274 0.000 0.994 962 M CA -0.495 54.666 55.300 -0.231 0.000 0.925 962 M CB 1.551 34.027 32.600 -0.207 0.000 1.577 962 M HN 0.752 nan 8.290 nan 0.000 0.439 963 R N 4.024 124.296 120.500 -0.381 0.000 2.515 963 R HA 0.447 4.786 4.340 -0.001 0.000 0.291 963 R C -1.402 174.676 176.300 -0.371 0.000 1.046 963 R CA -0.686 55.241 56.100 -0.288 0.000 0.914 963 R CB 1.920 32.134 30.300 -0.144 0.000 1.191 963 R HN 0.905 nan 8.270 nan 0.000 0.435 964 R N 4.504 124.843 120.500 -0.269 0.000 2.389 964 R HA 0.151 4.490 4.340 -0.001 0.000 0.295 964 R C 0.230 176.423 176.300 -0.179 0.000 1.075 964 R CA 0.027 55.993 56.100 -0.224 0.000 1.005 964 R CB 0.637 30.859 30.300 -0.129 0.000 0.987 964 R HN 0.704 nan 8.270 nan 0.000 0.452 965 L N 2.887 123.996 121.223 -0.189 0.000 2.554 965 L HA 0.141 4.481 4.340 -0.001 0.000 0.225 965 L C 0.352 177.170 176.870 -0.086 0.000 1.104 965 L CA 0.076 54.825 54.840 -0.152 0.000 0.866 965 L CB 0.389 42.325 42.059 -0.204 0.000 1.047 965 L HN 0.709 nan 8.230 nan 0.000 0.468 966 T N -2.629 111.885 114.554 -0.067 0.000 2.885 966 T HA 0.444 4.793 4.350 -0.001 0.000 0.285 966 T C -0.217 174.475 174.700 -0.014 0.000 1.019 966 T CA -0.932 61.146 62.100 -0.036 0.000 1.010 966 T CB 2.422 71.274 68.868 -0.027 0.000 1.022 966 T HN -0.089 nan 8.240 nan 0.000 0.466 967 K N 0.938 121.336 120.400 -0.004 0.000 2.117 967 K HA 0.328 4.647 4.320 -0.001 0.000 0.240 967 K C 1.616 178.231 176.600 0.024 0.000 1.031 967 K CA -0.305 55.992 56.287 0.016 0.000 0.909 967 K CB 0.647 33.155 32.500 0.014 0.000 1.097 967 K HN 0.805 nan 8.250 nan 0.000 0.492 968 S N -0.681 115.043 115.700 0.039 0.000 2.447 968 S HA -0.142 4.328 4.470 -0.001 0.000 0.233 968 S C 1.808 176.424 174.600 0.027 0.000 1.006 968 S CA 1.388 59.611 58.200 0.038 0.000 0.957 968 S CB -0.311 62.920 63.200 0.051 0.000 0.773 968 S HN 0.641 nan 8.310 nan 0.000 0.507 969 S N 1.495 117.210 115.700 0.024 0.000 2.561 969 S HA 0.436 4.905 4.470 -0.001 0.000 0.225 969 S C 0.778 175.386 174.600 0.013 0.000 0.977 969 S CA 0.007 58.219 58.200 0.019 0.000 0.926 969 S CB -0.598 62.614 63.200 0.020 0.000 0.769 969 S HN 0.749 nan 8.310 nan 0.000 0.533 970 A N 1.835 124.661 122.820 0.010 0.000 2.454 970 A HA 0.373 4.692 4.320 -0.001 0.000 0.260 970 A C 1.209 178.798 177.584 0.009 0.000 1.106 970 A CA -0.404 51.636 52.037 0.004 0.000 0.780 970 A CB 0.228 19.227 19.000 -0.003 0.000 1.044 970 A HN 0.482 nan 8.150 nan 0.000 0.498 971 K N 1.652 122.056 120.400 0.007 0.000 2.147 971 K HA -0.071 4.248 4.320 -0.001 0.000 0.205 971 K C -0.022 176.586 176.600 0.014 0.000 1.049 971 K CA 1.491 57.784 56.287 0.010 0.000 0.936 971 K CB 0.027 32.531 32.500 0.007 0.000 0.722 971 K HN 0.653 nan 8.250 nan 0.000 0.446 972 T N 2.414 116.973 114.554 0.009 0.000 2.801 972 T HA 0.191 4.540 4.350 -0.001 0.000 0.306 972 T C -0.880 173.833 174.700 0.021 0.000 1.020 972 T CA -0.686 61.422 62.100 0.013 0.000 0.948 972 T CB 1.451 70.316 68.868 -0.004 0.000 0.962 972 T HN 0.069 nan 8.240 nan 0.000 0.465 973 Q N 2.690 122.521 119.800 0.052 0.000 2.340 973 Q HA 0.399 4.739 4.340 -0.001 0.000 0.249 973 Q C 0.061 176.112 176.000 0.085 0.000 0.957 973 Q CA 0.046 55.882 55.803 0.054 0.000 0.882 973 Q CB 1.346 30.116 28.738 0.053 0.000 1.235 973 Q HN 0.526 nan 8.270 nan 0.000 0.439 974 R N 0.419 120.934 120.500 0.026 0.000 2.561 974 R HA 0.638 4.978 4.340 -0.001 0.000 0.297 974 R C -1.091 175.157 176.300 -0.086 0.000 0.969 974 R CA -0.600 55.498 56.100 -0.004 0.000 0.879 974 R CB 1.846 32.109 30.300 -0.061 0.000 1.178 974 R HN 0.262 nan 8.270 nan 0.000 0.445 975 V N 1.572 121.428 119.914 -0.096 0.000 2.588 975 V HA 0.607 4.726 4.120 -0.001 0.000 0.304 975 V C 0.173 175.975 176.094 -0.488 0.000 1.042 975 V CA -0.873 61.233 62.300 -0.322 0.000 0.877 975 V CB 2.066 33.702 31.823 -0.311 0.000 0.996 975 V HN 0.937 nan 8.190 nan 0.000 0.425 976 G N 2.878 111.189 108.800 -0.814 0.000 2.371 976 G HA2 0.665 4.624 3.960 -0.001 0.000 0.326 976 G HA3 0.665 4.624 3.960 -0.001 0.000 0.326 976 G C -1.649 172.806 174.900 -0.742 0.000 1.127 976 G CA -0.293 44.152 45.100 -1.092 0.000 0.885 976 G HN 0.502 nan 8.290 nan 0.000 0.477 977 Y N 0.451 120.825 120.300 0.123 0.000 2.425 977 Y HA 0.483 5.033 4.550 -0.001 0.000 0.344 977 Y C -0.105 176.063 175.900 0.447 0.000 0.969 977 Y CA -0.897 57.371 58.100 0.281 0.000 1.052 977 Y CB 2.783 41.376 38.460 0.223 0.000 1.215 977 Y HN 0.346 nan 8.280 nan 0.000 0.451 978 V N 4.786 124.999 119.914 0.498 0.000 2.384 978 V HA 0.386 4.505 4.120 -0.001 0.000 0.287 978 V C -0.934 175.387 176.094 0.378 0.000 1.020 978 V CA -0.668 61.850 62.300 0.364 0.000 0.850 978 V CB 1.579 33.564 31.823 0.269 0.000 0.987 978 V HN 0.530 nan 8.190 nan 0.000 0.436 979 L N 5.142 126.575 121.223 0.349 0.000 2.325 979 L HA 0.613 4.953 4.340 -0.001 0.000 0.281 979 L C -0.722 176.341 176.870 0.322 0.000 1.004 979 L CA -0.178 54.861 54.840 0.331 0.000 0.823 979 L CB 1.281 43.539 42.059 0.333 0.000 1.236 979 L HN 0.779 nan 8.230 nan 0.000 0.415 980 H N 4.296 123.515 119.070 0.249 0.000 2.505 980 H HA 0.559 5.115 4.556 -0.001 0.000 0.338 980 H C -1.066 174.345 175.328 0.139 0.000 1.057 980 H CA -0.567 55.598 56.048 0.195 0.000 1.202 980 H CB 1.072 31.017 29.762 0.304 0.000 1.466 980 H HN 0.619 nan 8.280 nan 0.000 0.499 981 R N 4.263 124.423 120.500 -0.567 0.000 2.387 981 R HA 0.308 4.647 4.340 -0.001 0.000 0.314 981 R C -0.350 175.506 176.300 -0.739 0.000 0.958 981 R CA -0.506 55.323 56.100 -0.453 0.000 0.846 981 R CB 1.378 31.540 30.300 -0.231 0.000 1.147 981 R HN 0.758 nan 8.270 nan 0.000 0.447 982 T N 1.425 115.712 114.554 -0.445 0.000 2.771 982 T HA 0.171 4.520 4.350 -0.001 0.000 0.290 982 T C -0.498 174.021 174.700 -0.301 0.000 1.005 982 T CA -0.436 61.489 62.100 -0.293 0.000 0.944 982 T CB 0.594 69.371 68.868 -0.151 0.000 1.147 982 T HN 0.677 nan 8.240 nan 0.000 0.534 983 N N 0.771 119.319 118.700 -0.254 0.000 2.399 983 N HA 0.476 5.215 4.740 -0.001 0.000 0.284 983 N C -1.419 173.928 175.510 -0.272 0.000 1.025 983 N CA -0.491 52.352 53.050 -0.344 0.000 0.885 983 N CB 0.639 38.770 38.487 -0.594 0.000 1.339 983 N HN 0.467 nan 8.380 nan 0.000 0.487 984 L N 2.548 123.608 121.223 -0.272 0.000 2.331 984 L HA 0.537 4.877 4.340 -0.001 0.000 0.275 984 L C 0.550 177.294 176.870 -0.210 0.000 1.022 984 L CA -1.034 53.681 54.840 -0.208 0.000 0.812 984 L CB 1.503 43.448 42.059 -0.190 0.000 1.257 984 L HN 0.368 nan 8.230 nan 0.000 0.435 985 M N 2.230 121.728 119.600 -0.170 0.000 2.248 985 M HA 0.048 4.528 4.480 -0.001 0.000 0.345 985 M C -0.175 176.037 176.300 -0.146 0.000 1.243 985 M CA 0.168 55.371 55.300 -0.161 0.000 1.090 985 M CB 0.350 32.856 32.600 -0.158 0.000 1.683 985 M HN 0.480 nan 8.290 nan 0.000 0.450 986 Q N 2.249 121.967 119.800 -0.136 0.000 2.314 986 Q HA 0.197 4.536 4.340 -0.001 0.000 0.257 986 Q C -0.191 175.751 176.000 -0.096 0.000 0.975 986 Q CA 0.098 55.834 55.803 -0.111 0.000 0.933 986 Q CB 0.972 29.648 28.738 -0.103 0.000 1.195 986 Q HN 0.783 nan 8.270 nan 0.000 0.426 987 c N 0.857 119.404 118.600 -0.088 0.000 3.098 987 c HA 0.354 4.924 4.570 -0.001 0.000 0.265 987 c C 1.281 175.333 174.090 -0.063 0.000 1.572 987 c CA -0.008 56.274 56.329 -0.078 0.000 1.788 987 c CB -0.442 42.016 42.510 -0.087 0.000 2.982 987 c HN 1.036 nan 8.230 nan 0.000 0.532 988 G N 1.430 110.194 108.800 -0.059 0.000 2.157 988 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.248 988 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.248 988 G C 0.037 174.910 174.900 -0.045 0.000 0.979 988 G CA 0.455 45.526 45.100 -0.048 0.000 0.650 988 G HN 0.464 nan 8.290 nan 0.000 0.529 989 T N 1.939 116.462 114.554 -0.052 0.000 2.729 989 T HA 0.448 4.797 4.350 -0.001 0.000 0.296 989 T C -0.339 174.332 174.700 -0.048 0.000 0.928 989 T CA -0.320 61.752 62.100 -0.048 0.000 1.045 989 T CB 1.678 70.514 68.868 -0.053 0.000 0.902 989 T HN 0.072 nan 8.240 nan 0.000 0.500 990 P HA -0.075 nan 4.420 nan 0.000 0.216 990 P C 0.235 177.507 177.300 -0.046 0.000 1.150 990 P CA 0.436 63.515 63.100 -0.035 0.000 0.837 990 P CB -0.012 31.676 31.700 -0.020 0.000 0.786 991 E N -0.260 119.908 120.200 -0.054 0.000 1.344 991 E HA -0.259 4.090 4.350 -0.001 0.000 0.224 991 E C 0.401 176.934 176.600 -0.112 0.000 1.095 991 E CA 0.250 56.599 56.400 -0.085 0.000 0.705 991 E CB -0.514 29.134 29.700 -0.087 0.000 0.957 991 E HN 0.472 nan 8.360 nan 0.000 0.278 992 E N 0.281 120.406 120.200 -0.125 0.000 3.271 992 E HA 0.037 4.386 4.350 -0.001 0.000 0.331 992 E C -0.225 176.274 176.600 -0.169 0.000 0.732 992 E CA -0.103 56.240 56.400 -0.095 0.000 1.395 992 E CB 0.038 29.737 29.700 -0.001 0.000 2.445 992 E HN 0.659 nan 8.360 nan 0.000 0.544 993 H N 1.172 120.235 119.070 -0.011 0.000 3.211 993 H HA -0.012 4.543 4.556 -0.001 0.000 0.246 993 H C -0.669 174.663 175.328 0.007 0.000 0.802 993 H CA 0.521 56.567 56.048 -0.005 0.000 1.421 993 H CB -0.733 29.025 29.762 -0.007 0.000 1.432 993 H HN 0.078 nan 8.280 nan 0.000 0.503 994 T N 0.906 115.466 114.554 0.010 0.000 2.887 994 T HA 0.441 4.790 4.350 -0.001 0.000 0.292 994 T C -0.346 174.393 174.700 0.065 0.000 1.087 994 T CA -1.357 60.762 62.100 0.032 0.000 1.009 994 T CB 1.838 70.699 68.868 -0.012 0.000 1.203 994 T HN 0.729 nan 8.240 nan 0.000 0.518 995 Q N 0.861 120.709 119.800 0.080 0.000 2.235 995 Q HA 0.439 4.778 4.340 -0.001 0.000 0.250 995 Q C -0.383 175.644 176.000 0.045 0.000 0.909 995 Q CA -1.149 54.694 55.803 0.067 0.000 0.910 995 Q CB 1.051 29.841 28.738 0.087 0.000 1.223 995 Q HN 0.297 nan 8.270 nan 0.000 0.432 996 K N 1.743 122.158 120.400 0.025 0.000 2.451 996 K HA 0.078 4.398 4.320 -0.001 0.000 0.280 996 K C -0.602 176.002 176.600 0.007 0.000 1.020 996 K CA -0.137 56.154 56.287 0.008 0.000 1.008 996 K CB 0.237 32.732 32.500 -0.008 0.000 0.917 996 K HN 0.415 nan 8.250 nan 0.000 0.478 997 L N 3.427 124.650 121.223 0.001 0.000 2.257 997 L HA 0.231 4.570 4.340 -0.001 0.000 0.290 997 L C -0.575 176.259 176.870 -0.060 0.000 1.044 997 L CA -0.165 54.666 54.840 -0.015 0.000 0.810 997 L CB 0.915 42.975 42.059 0.003 0.000 1.193 997 L HN 0.409 nan 8.230 nan 0.000 0.425 998 D N 3.575 123.932 120.400 -0.071 0.000 2.472 998 D HA 0.156 4.795 4.640 -0.001 0.000 0.234 998 D C 1.067 177.266 176.300 -0.168 0.000 1.088 998 D CA -0.283 53.652 54.000 -0.109 0.000 0.882 998 D CB 1.260 42.045 40.800 -0.025 0.000 1.037 998 D HN 0.389 nan 8.370 nan 0.000 0.520 999 V N 1.383 121.096 119.914 -0.335 0.000 2.594 999 V HA -0.175 3.944 4.120 -0.001 0.000 0.253 999 V C 2.100 177.869 176.094 -0.541 0.000 1.069 999 V CA 1.040 62.962 62.300 -0.630 0.000 1.082 999 V CB -1.085 30.079 31.823 -1.098 0.000 0.680 999 V HN 0.609 nan 8.190 nan 0.000 0.469 1000 c N 0.559 118.975 118.600 -0.308 0.000 2.437 1000 c HA 0.022 4.592 4.570 -0.001 0.000 0.283 1000 c C 2.062 176.029 174.090 -0.205 0.000 1.424 1000 c CA 1.223 57.436 56.329 -0.193 0.000 1.782 1000 c CB -1.839 40.542 42.510 -0.215 0.000 1.833 1000 c HN 0.767 nan 8.230 nan 0.000 0.532 1001 H N -1.049 117.999 119.070 -0.037 0.000 2.505 1001 H HA 0.269 4.824 4.556 -0.001 0.000 0.286 1001 H C 1.672 177.035 175.328 0.058 0.000 1.072 1001 H CA -0.074 55.993 56.048 0.031 0.000 1.141 1001 H CB 0.094 29.856 29.762 0.000 0.000 1.550 1001 H HN 0.335 nan 8.280 nan 0.000 0.547 1002 L N -0.182 121.105 121.223 0.108 0.000 2.217 1002 L HA -0.026 4.314 4.340 -0.001 0.000 0.211 1002 L C -0.236 176.785 176.870 0.253 0.000 1.107 1002 L CA 0.697 55.628 54.840 0.151 0.000 0.783 1002 L CB 0.164 42.272 42.059 0.083 0.000 0.919 1002 L HN 0.164 nan 8.230 nan 0.000 0.442 1003 L N -0.531 120.806 121.223 0.189 0.000 2.334 1003 L HA 0.433 4.773 4.340 -0.001 0.000 0.273 1003 L C -2.060 174.885 176.870 0.125 0.000 1.013 1003 L CA -1.747 53.143 54.840 0.083 0.000 0.816 1003 L CB 0.873 42.764 42.059 -0.281 0.000 1.278 1003 L HN -0.246 nan 8.230 nan 0.000 0.431 1004 P HA 0.181 nan 4.420 nan 0.000 0.275 1004 P C -0.763 176.665 177.300 0.212 0.000 1.266 1004 P CA -0.352 62.833 63.100 0.142 0.000 0.793 1004 P CB 0.303 32.058 31.700 0.091 0.000 1.074 1005 N N -3.215 115.586 118.700 0.169 0.000 2.740 1005 N HA -0.152 4.587 4.740 -0.001 0.000 0.248 1005 N C 0.010 175.605 175.510 0.141 0.000 1.062 1005 N CA 0.074 53.211 53.050 0.144 0.000 0.704 1005 N CB -1.848 36.712 38.487 0.122 0.000 0.968 1005 N HN 0.254 nan 8.380 nan 0.000 0.547 1006 V N -0.036 119.916 119.914 0.063 0.000 2.655 1006 V HA 0.409 4.528 4.120 -0.001 0.000 0.300 1006 V C 1.154 177.149 176.094 -0.166 0.000 1.044 1006 V CA 1.059 63.215 62.300 -0.241 0.000 1.095 1006 V CB 1.259 32.847 31.823 -0.391 0.000 0.952 1006 V HN 0.421 nan 8.190 nan 0.000 0.485 1007 A N 6.974 129.672 122.820 -0.204 0.000 2.287 1007 A HA 0.493 4.812 4.320 -0.001 0.000 0.214 1007 A C 0.926 178.471 177.584 -0.066 0.000 1.228 1007 A CA 0.003 51.985 52.037 -0.092 0.000 0.939 1007 A CB 0.253 19.214 19.000 -0.065 0.000 0.992 1007 A HN 0.775 nan 8.150 nan 0.000 0.502 1008 R N -1.666 118.766 120.500 -0.113 0.000 2.634 1008 R HA 0.471 4.810 4.340 -0.001 0.000 0.263 1008 R C -2.344 173.925 176.300 -0.052 0.000 1.060 1008 R CA -0.342 55.750 56.100 -0.013 0.000 0.898 1008 R CB 1.420 31.722 30.300 0.004 0.000 1.253 1008 R HN 0.279 nan 8.270 nan 0.000 0.461 1009 c N 2.742 121.360 118.600 0.031 0.000 2.431 1009 c HA 0.614 5.184 4.570 -0.001 0.000 0.321 1009 c C -1.104 173.070 174.090 0.140 0.000 1.202 1009 c CA -0.205 56.144 56.329 0.034 0.000 1.398 1009 c CB 1.215 43.701 42.510 -0.040 0.000 2.047 1009 c HN 0.915 nan 8.230 nan 0.000 0.465 1010 E N 2.857 123.164 120.200 0.179 0.000 2.266 1010 E HA 0.447 4.796 4.350 -0.001 0.000 0.268 1010 E C -0.894 175.876 176.600 0.283 0.000 0.879 1010 E CA -0.598 55.928 56.400 0.210 0.000 0.762 1010 E CB 1.794 31.584 29.700 0.149 0.000 1.199 1010 E HN 0.635 nan 8.360 nan 0.000 0.422 1011 R N 1.488 122.135 120.500 0.246 0.000 2.390 1011 R HA 0.320 4.660 4.340 -0.001 0.000 0.291 1011 R C -0.464 175.868 176.300 0.053 0.000 1.070 1011 R CA 0.112 56.281 56.100 0.114 0.000 1.014 1011 R CB 0.627 30.970 30.300 0.071 0.000 1.007 1011 R HN 0.699 nan 8.270 nan 0.000 0.466 1012 T N -0.365 114.196 114.554 0.011 0.000 2.888 1012 T HA 0.353 4.702 4.350 -0.001 0.000 0.288 1012 T C 0.155 174.844 174.700 -0.018 0.000 1.063 1012 T CA -0.779 61.349 62.100 0.046 0.000 1.010 1012 T CB 1.358 70.322 68.868 0.160 0.000 1.214 1012 T HN 0.614 nan 8.240 nan 0.000 0.533 1013 T N 0.040 114.587 114.554 -0.011 0.000 2.795 1013 T HA 0.214 4.563 4.350 -0.001 0.000 0.314 1013 T C 1.545 176.174 174.700 -0.118 0.000 1.069 1013 T CA -0.679 61.392 62.100 -0.048 0.000 1.071 1013 T CB -0.068 68.787 68.868 -0.022 0.000 0.988 1013 T HN 0.558 nan 8.240 nan 0.000 0.543 1014 L N 0.986 122.121 121.223 -0.147 0.000 2.362 1014 L HA -0.012 4.328 4.340 -0.001 0.000 0.219 1014 L C 2.799 179.376 176.870 -0.488 0.000 1.134 1014 L CA 1.274 55.958 54.840 -0.261 0.000 0.807 1014 L CB -0.934 41.053 42.059 -0.121 0.000 0.927 1014 L HN 0.979 nan 8.230 nan 0.000 0.447 1015 T N -4.911 109.461 114.554 -0.304 0.000 3.129 1015 T HA 0.015 4.365 4.350 -0.001 0.000 0.251 1015 T C 0.720 175.304 174.700 -0.192 0.000 1.117 1015 T CA -0.210 61.734 62.100 -0.259 0.000 1.034 1015 T CB -0.103 68.743 68.868 -0.038 0.000 0.968 1015 T HN 0.198 nan 8.240 nan 0.000 0.526 1016 F N -0.899 119.062 119.950 0.019 0.000 2.840 1016 F HA -0.180 4.347 4.527 -0.001 0.000 0.310 1016 F C 0.980 176.779 175.800 -0.001 0.000 0.688 1016 F CA -0.159 57.845 58.000 0.006 0.000 1.286 1016 F CB -2.339 36.660 39.000 -0.003 0.000 1.612 1016 F HN 0.240 nan 8.300 nan 0.000 0.335 1017 L N -0.858 120.436 121.223 0.119 0.000 2.529 1017 L HA 0.123 4.462 4.340 -0.001 0.000 0.223 1017 L C 1.048 177.940 176.870 0.037 0.000 1.113 1017 L CA 0.827 55.708 54.840 0.069 0.000 0.861 1017 L CB 0.229 42.312 42.059 0.040 0.000 1.012 1017 L HN 0.334 nan 8.230 nan 0.000 0.461 1018 Q N 0.535 120.358 119.800 0.038 0.000 2.305 1018 Q HA 0.265 4.604 4.340 -0.001 0.000 0.271 1018 Q C -1.212 174.807 176.000 0.031 0.000 1.046 1018 Q CA -0.701 55.113 55.803 0.018 0.000 0.798 1018 Q CB 1.903 30.639 28.738 -0.004 0.000 1.286 1018 Q HN 0.087 nan 8.270 nan 0.000 0.435 1019 N N 4.459 123.176 118.700 0.028 0.000 2.470 1019 N HA 0.167 4.906 4.740 -0.001 0.000 0.268 1019 N C 0.351 175.879 175.510 0.030 0.000 1.136 1019 N CA 0.252 53.325 53.050 0.039 0.000 0.961 1019 N CB 1.061 39.566 38.487 0.032 0.000 1.067 1019 N HN 0.637 nan 8.380 nan 0.000 0.468 1020 L N 0.482 121.727 121.223 0.038 0.000 2.537 1020 L HA 0.300 4.639 4.340 -0.001 0.000 0.224 1020 L C 0.655 177.553 176.870 0.047 0.000 1.065 1020 L CA 0.422 55.278 54.840 0.027 0.000 0.860 1020 L CB 0.328 42.393 42.059 0.009 0.000 1.086 1020 L HN 0.524 nan 8.230 nan 0.000 0.482 1021 E N -0.490 119.756 120.200 0.078 0.000 2.354 1021 E HA 0.129 4.479 4.350 -0.001 0.000 0.283 1021 E C -1.407 175.290 176.600 0.161 0.000 0.938 1021 E CA -0.554 55.907 56.400 0.102 0.000 0.777 1021 E CB 1.642 31.396 29.700 0.089 0.000 1.222 1021 E HN 0.093 nan 8.360 nan 0.000 0.423 1022 H N 5.953 125.047 119.070 0.041 0.000 2.594 1022 H HA 0.340 4.895 4.556 -0.001 0.000 0.304 1022 H C -0.864 174.487 175.328 0.038 0.000 1.068 1022 H CA -0.606 55.464 56.048 0.036 0.000 1.308 1022 H CB 0.687 30.460 29.762 0.019 0.000 1.409 1022 H HN 0.370 nan 8.280 nan 0.000 0.460 1023 L N 5.350 126.504 121.223 -0.115 0.000 2.276 1023 L HA 0.096 4.435 4.340 -0.001 0.000 0.286 1023 L C 0.103 176.827 176.870 -0.243 0.000 1.061 1023 L CA -0.824 53.942 54.840 -0.124 0.000 0.807 1023 L CB 1.001 43.053 42.059 -0.011 0.000 1.177 1023 L HN 0.672 nan 8.230 nan 0.000 0.429 1024 D N 2.911 123.204 120.400 -0.177 0.000 2.493 1024 D HA 0.130 4.770 4.640 -0.001 0.000 0.240 1024 D C 1.189 177.435 176.300 -0.091 0.000 1.142 1024 D CA 1.202 55.113 54.000 -0.148 0.000 0.872 1024 D CB 1.063 41.812 40.800 -0.086 0.000 1.173 1024 D HN 0.830 nan 8.370 nan 0.000 0.467 1025 G N 2.943 111.699 108.800 -0.073 0.000 2.166 1025 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.260 1025 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.260 1025 G C 0.785 175.708 174.900 0.040 0.000 0.986 1025 G CA 0.463 45.556 45.100 -0.012 0.000 0.683 1025 G HN 0.648 nan 8.290 nan 0.000 0.527 1026 M N -2.886 116.703 119.600 -0.018 0.000 2.576 1026 M HA -0.192 4.287 4.480 -0.001 0.000 0.200 1026 M C 0.167 176.472 176.300 0.009 0.000 0.487 1026 M CA 0.927 56.209 55.300 -0.029 0.000 0.553 1026 M CB -1.826 30.735 32.600 -0.066 0.000 2.042 1026 M HN 0.220 nan 8.290 nan 0.000 0.758 1027 V N 0.820 120.739 119.914 0.010 0.000 2.398 1027 V HA 0.715 4.835 4.120 -0.001 0.000 0.286 1027 V C 0.625 176.640 176.094 -0.132 0.000 1.026 1027 V CA -0.285 62.011 62.300 -0.006 0.000 0.868 1027 V CB 1.745 33.565 31.823 -0.005 0.000 0.982 1027 V HN 0.364 nan 8.190 nan 0.000 0.443 1028 A N 7.960 130.618 122.820 -0.271 0.000 2.279 1028 A HA 0.744 5.064 4.320 -0.001 0.000 0.306 1028 A C -2.431 174.878 177.584 -0.458 0.000 1.300 1028 A CA -1.467 50.186 52.037 -0.641 0.000 0.925 1028 A CB 0.086 18.396 19.000 -1.149 0.000 1.152 1028 A HN 0.636 nan 8.150 nan 0.000 0.544 1029 P HA 0.167 nan 4.420 nan 0.000 0.272 1029 P C -0.071 177.219 177.300 -0.016 0.000 1.223 1029 P CA -0.122 62.935 63.100 -0.072 0.000 0.784 1029 P CB 0.561 32.279 31.700 0.030 0.000 0.923 1030 E N -0.063 120.141 120.200 0.006 0.000 2.392 1030 E HA 0.230 4.580 4.350 -0.001 0.000 0.256 1030 E C 0.058 176.707 176.600 0.082 0.000 1.145 1030 E CA -0.749 55.681 56.400 0.049 0.000 0.929 1030 E CB 0.481 30.191 29.700 0.017 0.000 0.998 1030 E HN 0.287 nan 8.360 nan 0.000 0.442 1031 V N -1.196 118.769 119.914 0.085 0.000 2.973 1031 V HA 0.330 4.450 4.120 -0.001 0.000 0.314 1031 V C 0.193 176.287 176.094 -0.000 0.000 1.066 1031 V CA -1.108 61.229 62.300 0.061 0.000 1.021 1031 V CB 1.209 33.073 31.823 0.069 0.000 1.076 1031 V HN 0.734 nan 8.190 nan 0.000 0.462 1032 c N 2.754 121.348 118.600 -0.010 0.000 2.580 1032 c HA 0.428 4.997 4.570 -0.001 0.000 0.371 1032 c C -2.078 171.951 174.090 -0.101 0.000 1.308 1032 c CA -0.337 55.967 56.329 -0.043 0.000 2.428 1032 c CB -0.004 42.497 42.510 -0.016 0.000 2.529 1032 c HN 0.817 nan 8.230 nan 0.000 0.657 1033 P HA 0.039 nan 4.420 nan 0.000 0.262 1033 P C 0.234 177.377 177.300 -0.261 0.000 1.182 1033 P CA 0.981 63.941 63.100 -0.234 0.000 0.761 1033 P CB 0.167 31.711 31.700 -0.260 0.000 0.795 1034 M N -1.022 118.374 119.600 -0.340 0.000 2.939 1034 M HA -0.175 4.305 4.480 -0.001 0.000 0.194 1034 M C -0.160 176.142 176.300 0.003 0.000 0.617 1034 M CA 1.345 56.440 55.300 -0.342 0.000 0.734 1034 M CB -2.076 30.008 32.600 -0.860 0.000 2.637 1034 M HN 0.402 nan 8.290 nan 0.000 0.316 1035 E N 0.427 120.611 120.200 -0.026 0.000 2.227 1035 E HA 0.733 5.082 4.350 -0.001 0.000 0.268 1035 E C 0.106 176.770 176.600 0.108 0.000 0.990 1035 E CA -0.124 56.337 56.400 0.100 0.000 0.856 1035 E CB 1.452 31.180 29.700 0.046 0.000 1.159 1035 E HN 0.144 nan 8.360 nan 0.000 0.401 1036 T N 0.444 115.083 114.554 0.142 0.000 2.886 1036 T HA 0.708 5.058 4.350 -0.001 0.000 0.292 1036 T C -0.877 173.839 174.700 0.027 0.000 1.012 1036 T CA -0.670 61.524 62.100 0.157 0.000 0.982 1036 T CB 1.659 70.637 68.868 0.184 0.000 1.018 1036 T HN 0.518 nan 8.240 nan 0.000 0.451 1037 A N 1.753 124.589 122.820 0.027 0.000 2.515 1037 A HA 0.993 5.312 4.320 -0.001 0.000 0.296 1037 A C -1.050 176.432 177.584 -0.171 0.000 1.094 1037 A CA -0.922 51.033 52.037 -0.137 0.000 0.718 1037 A CB 1.530 20.399 19.000 -0.218 0.000 1.307 1037 A HN 1.126 nan 8.150 nan 0.000 0.408 1038 A N 0.257 122.892 122.820 -0.309 0.000 2.365 1038 A HA 0.840 5.160 4.320 -0.001 0.000 0.318 1038 A C -1.595 175.807 177.584 -0.304 0.000 1.091 1038 A CA -0.359 51.609 52.037 -0.116 0.000 0.763 1038 A CB 0.785 19.770 19.000 -0.025 0.000 1.248 1038 A HN 0.877 nan 8.150 nan 0.000 0.442 1039 Y N -0.042 120.470 120.300 0.355 0.000 2.524 1039 Y HA 0.569 5.119 4.550 -0.001 0.000 0.347 1039 Y C -0.297 175.764 175.900 0.269 0.000 1.005 1039 Y CA -0.886 57.373 58.100 0.265 0.000 1.025 1039 Y CB 2.494 41.073 38.460 0.198 0.000 1.275 1039 Y HN 0.416 nan 8.280 nan 0.000 0.460 1040 V N 2.453 122.558 119.914 0.319 0.000 2.444 1040 V HA 0.490 4.610 4.120 -0.001 0.000 0.294 1040 V C -0.617 175.555 176.094 0.132 0.000 1.022 1040 V CA -0.931 61.449 62.300 0.134 0.000 0.850 1040 V CB 1.749 33.590 31.823 0.029 0.000 0.992 1040 V HN 0.832 nan 8.190 nan 0.000 0.426 1041 S N 3.557 119.341 115.700 0.140 0.000 2.541 1041 S HA 0.723 5.192 4.470 -0.001 0.000 0.283 1041 S C -0.207 174.334 174.600 -0.098 0.000 1.196 1041 S CA -0.585 57.624 58.200 0.015 0.000 1.062 1041 S CB 1.583 64.862 63.200 0.131 0.000 1.009 1041 S HN 0.568 nan 8.310 nan 0.000 0.502 1042 S N 2.282 117.803 115.700 -0.298 0.000 2.501 1042 S HA 0.544 5.014 4.470 -0.001 0.000 0.301 1042 S C -0.937 173.372 174.600 -0.485 0.000 1.096 1042 S CA -0.777 57.291 58.200 -0.220 0.000 1.063 1042 S CB 0.581 63.714 63.200 -0.113 0.000 1.042 1042 S HN 0.794 nan 8.310 nan 0.000 0.494 1043 H N 0.760 119.819 119.070 -0.019 0.000 2.759 1043 H HA 0.324 4.879 4.556 -0.001 0.000 0.354 1043 H C -0.754 174.569 175.328 -0.008 0.000 1.074 1043 H CA -0.671 55.370 56.048 -0.013 0.000 1.226 1043 H CB 1.712 31.468 29.762 -0.009 0.000 1.648 1043 H HN 0.596 nan 8.280 nan 0.000 0.529 1044 S N 2.128 117.878 115.700 0.085 0.000 2.505 1044 S HA 0.309 4.779 4.470 -0.001 0.000 0.276 1044 S C 0.724 175.362 174.600 0.064 0.000 1.274 1044 S CA -0.648 57.584 58.200 0.055 0.000 1.053 1044 S CB 0.970 64.190 63.200 0.033 0.000 0.919 1044 S HN 0.705 nan 8.310 nan 0.000 0.490 1045 S N 0.000 115.728 115.700 0.047 0.000 2.498 1045 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 1045 S CA 0.000 58.222 58.200 0.037 0.000 1.107 1045 S CB 0.000 63.220 63.200 0.034 0.000 0.593 1045 S HN 0.000 nan 8.310 nan 0.000 0.517