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 1pj6_1_A DATA FIRST_RESID 3 DATA SEQUENCE STPRIVIIGA GIVGTNLADE LVTRGWNNIT VLDQGPLNMP GGSTSHAPGL DATA SEQUENCE VFQTNPSKTM ASFAKYTVEK LLSLTEDGVS CFNQVGGLEV ATTETRLADL DATA SEQUENCE KRKLGYAAAW GIEGRLLSPA ECQELYPLLD GENILGGLHV PSDGLASAAR DATA SEQUENCE AVQLLIKRTE SAGVTYRGST TVTGIEQSGG RVTGVQTADG VIPADIVVSC DATA SEQUENCE AGFWGAKIGA MIGMAVPLLP LAHQYVKTTP VPAQQGRNDQ PNGARLPILR DATA SEQUENCE HQDQDLYYRE HGDRYGIGSY AHRPMPVDVD TLGAYAPETV SEHHMPSRLD DATA SEQUENCE FTLEDFLPAW EATKQLLPAL ADSEIEDGFN GIFSFTPDGG PLLGESKELD DATA SEQUENCE GFYVAEAVWV THSAGVAKAM AELLTTGRSE TDLGECDITR FEDVQLTPEY DATA SEQUENCE VSETSQQNFV EIYDVLHPLQ PRLSPRNLRV SPFHARHKEL GAFFLEAGGW DATA SEQUENCE ERPYWFEANA ALLKEMPAEW LPPARDAWSG MFSSPIAAAE AWKTRTAVAM DATA SEQUENCE YDMTPLKRLE VSGPGALKLL QELTTADLAK KPGAVTYTLL LDHAGGVRSD DATA SEQUENCE ITVARLSEDT FQLGANGNID TAYFERAARH QTQSGSATDW VQVRDTTGGT DATA SEQUENCE CCIGLWGPLA RDLVSKVSDD DFTNDGLKYF RAKNVVIGGI PVTAMRLSYV DATA SEQUENCE GELGWELYTS ADNGQRLWDA LWQAGQPFGV IAAGRAAFSS LRLEKGYRSW DATA SEQUENCE GTDMTTEHDP FEAGLGFAVK MAKESFIGKG ALEGRTEEAS ARRLRCLTID DATA SEQUENCE DGRSIVLGKE PVFYKEQAVG YVTSAAYGYT VAKPIAYSYL PGTVSVGDSV DATA SEQUENCE DIEYFGRRIT ATVTEDPLYD PKMTRLRG 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 3 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.467 174.600 -0.222 0.000 1.055 3 S CA 0.000 58.129 58.200 -0.119 0.000 1.107 3 S CB 0.000 63.162 63.200 -0.064 0.000 0.593 4 T N 4.182 118.541 114.554 -0.325 0.000 2.823 4 T HA 0.597 4.947 4.350 -0.000 0.000 0.279 4 T C -2.774 171.583 174.700 -0.572 0.000 0.998 4 T CA -1.172 60.534 62.100 -0.656 0.000 0.994 4 T CB 1.502 70.022 68.868 -0.579 0.000 0.960 4 T HN -0.051 nan 8.240 nan 0.000 0.448 5 P HA 0.313 nan 4.420 nan 0.000 0.272 5 P C -0.417 176.698 177.300 -0.308 0.000 1.223 5 P CA -0.635 62.207 63.100 -0.431 0.000 0.784 5 P CB 0.536 31.985 31.700 -0.417 0.000 0.923 6 R N 1.909 122.300 120.500 -0.181 0.000 2.248 6 R HA 0.382 4.722 4.340 -0.000 0.000 0.328 6 R C -0.186 176.057 176.300 -0.096 0.000 1.067 6 R CA -0.104 55.920 56.100 -0.126 0.000 0.924 6 R CB -0.108 30.140 30.300 -0.088 0.000 1.013 6 R HN 0.460 nan 8.270 nan 0.000 0.454 7 I N 3.025 123.541 120.570 -0.090 0.000 2.404 7 I HA 0.287 4.456 4.170 -0.000 0.000 0.293 7 I C -0.461 175.612 176.117 -0.074 0.000 0.992 7 I CA -0.991 60.272 61.300 -0.063 0.000 1.149 7 I CB 2.087 40.064 38.000 -0.039 0.000 1.315 7 I HN 0.210 nan 8.210 nan 0.000 0.446 8 V N 7.221 127.093 119.914 -0.069 0.000 2.417 8 V HA 0.450 4.570 4.120 -0.000 0.000 0.291 8 V C -0.008 176.025 176.094 -0.102 0.000 1.024 8 V CA -0.501 61.749 62.300 -0.084 0.000 0.861 8 V CB 1.872 33.659 31.823 -0.060 0.000 0.985 8 V HN 0.470 nan 8.190 nan 0.000 0.436 9 I N 5.704 126.202 120.570 -0.119 0.000 2.336 9 I HA 0.433 4.603 4.170 -0.000 0.000 0.292 9 I C -0.325 175.727 176.117 -0.109 0.000 0.991 9 I CA -0.359 60.870 61.300 -0.118 0.000 1.227 9 I CB 1.567 39.497 38.000 -0.117 0.000 1.366 9 I HN 0.442 nan 8.210 nan 0.000 0.466 10 I N 6.120 126.628 120.570 -0.103 0.000 2.301 10 I HA 0.516 4.686 4.170 -0.000 0.000 0.292 10 I C 0.509 176.572 176.117 -0.090 0.000 1.046 10 I CA -0.111 61.136 61.300 -0.090 0.000 1.282 10 I CB 0.805 38.765 38.000 -0.067 0.000 1.409 10 I HN 0.820 nan 8.210 nan 0.000 0.484 11 G N 4.503 113.246 108.800 -0.096 0.000 3.326 11 G HA2 0.150 4.110 3.960 -0.000 0.000 0.681 11 G HA3 0.150 4.110 3.960 -0.000 0.000 0.681 11 G C -0.427 174.449 174.900 -0.039 0.000 1.255 11 G CA -0.391 44.654 45.100 -0.093 0.000 0.976 11 G HN 0.866 nan 8.290 nan 0.000 0.563 12 A N 1.697 124.504 122.820 -0.022 0.000 3.003 12 A HA 0.778 5.097 4.320 -0.000 0.000 0.301 12 A C 1.355 178.943 177.584 0.008 0.000 1.280 12 A CA 1.041 53.105 52.037 0.045 0.000 0.973 12 A CB -0.233 18.827 19.000 0.101 0.000 1.110 12 A HN 2.036 nan 8.150 nan 0.000 0.590 13 G N -0.619 108.177 108.800 -0.007 0.000 2.508 13 G HA2 0.368 4.328 3.960 -0.000 0.000 0.278 13 G HA3 0.368 4.328 3.960 -0.000 0.000 0.278 13 G C 0.918 175.825 174.900 0.012 0.000 1.389 13 G CA -0.146 44.953 45.100 -0.002 0.000 1.050 13 G HN 0.286 nan 8.290 nan 0.000 0.522 14 I N -0.702 119.878 120.570 0.016 0.000 2.361 14 I HA -0.112 4.058 4.170 -0.000 0.000 0.251 14 I C 2.552 178.682 176.117 0.022 0.000 1.133 14 I CA 1.042 62.355 61.300 0.022 0.000 1.413 14 I CB 0.033 38.052 38.000 0.032 0.000 1.073 14 I HN 0.134 nan 8.210 nan 0.000 0.424 15 V N 0.485 120.411 119.914 0.019 0.000 2.283 15 V HA -0.102 4.018 4.120 -0.000 0.000 0.243 15 V C 2.553 178.646 176.094 -0.002 0.000 1.039 15 V CA 1.849 64.153 62.300 0.006 0.000 1.016 15 V CB -1.614 30.212 31.823 0.004 0.000 0.650 15 V HN 0.517 nan 8.190 nan 0.000 0.449 16 G N 0.371 109.171 108.800 0.000 0.000 2.422 16 G HA2 -0.282 3.677 3.960 -0.000 0.000 0.218 16 G HA3 -0.282 3.677 3.960 -0.000 0.000 0.218 16 G C 1.782 176.698 174.900 0.027 0.000 1.146 16 G CA 1.803 46.901 45.100 -0.004 0.000 0.769 16 G HN 0.574 nan 8.290 nan 0.000 0.547 17 T N -1.116 113.474 114.554 0.060 0.000 2.857 17 T HA -0.060 4.290 4.350 -0.000 0.000 0.266 17 T C 2.112 176.850 174.700 0.064 0.000 1.048 17 T CA 1.150 63.312 62.100 0.104 0.000 1.139 17 T CB -0.320 68.603 68.868 0.092 0.000 0.874 17 T HN 0.162 nan 8.240 nan 0.000 0.455 18 N N 1.216 119.936 118.700 0.034 0.000 2.149 18 N HA -0.047 4.693 4.740 -0.000 0.000 0.188 18 N C 1.815 177.332 175.510 0.013 0.000 1.019 18 N CA 1.163 54.228 53.050 0.025 0.000 0.857 18 N CB -0.380 38.119 38.487 0.019 0.000 0.997 18 N HN 0.299 nan 8.380 nan 0.000 0.426 19 L N 1.357 122.576 121.223 -0.006 0.000 2.056 19 L HA -0.009 4.331 4.340 -0.000 0.000 0.207 19 L C 2.225 179.082 176.870 -0.023 0.000 1.078 19 L CA 1.538 56.358 54.840 -0.034 0.000 0.749 19 L CB -0.947 41.078 42.059 -0.056 0.000 0.901 19 L HN 0.066 nan 8.230 nan 0.000 0.433 20 A N -0.640 122.178 122.820 -0.004 0.000 1.908 20 A HA -0.321 3.999 4.320 -0.000 0.000 0.218 20 A C 2.102 179.702 177.584 0.026 0.000 1.181 20 A CA 2.104 54.143 52.037 0.003 0.000 0.627 20 A CB -1.141 17.865 19.000 0.010 0.000 0.818 20 A HN 0.607 nan 8.150 nan 0.000 0.445 21 D N -0.782 119.642 120.400 0.040 0.000 2.097 21 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 21 D C 1.880 178.193 176.300 0.022 0.000 0.989 21 D CA 1.467 55.491 54.000 0.040 0.000 0.827 21 D CB -0.061 40.764 40.800 0.042 0.000 0.966 21 D HN 0.400 nan 8.370 nan 0.000 0.456 22 E N -0.155 120.050 120.200 0.008 0.000 2.204 22 E HA -0.100 4.250 4.350 -0.000 0.000 0.194 22 E C 2.366 178.933 176.600 -0.055 0.000 0.989 22 E CA 0.354 56.743 56.400 -0.018 0.000 0.824 22 E CB -0.094 29.584 29.700 -0.036 0.000 0.756 22 E HN 0.457 nan 8.360 nan 0.000 0.477 23 L N 0.084 121.283 121.223 -0.041 0.000 2.044 23 L HA -0.117 4.223 4.340 -0.000 0.000 0.205 23 L C 2.531 179.412 176.870 0.018 0.000 1.075 23 L CA 0.525 55.343 54.840 -0.036 0.000 0.747 23 L CB -0.414 41.664 42.059 0.031 0.000 0.903 23 L HN -0.042 nan 8.230 nan 0.000 0.435 24 V N 0.202 120.138 119.914 0.038 0.000 2.332 24 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 24 V C 2.717 178.830 176.094 0.031 0.000 1.055 24 V CA 2.508 64.839 62.300 0.051 0.000 1.038 24 V CB -0.967 30.883 31.823 0.046 0.000 0.651 24 V HN 0.702 nan 8.190 nan 0.000 0.450 25 T N -1.845 112.714 114.554 0.008 0.000 3.035 25 T HA -0.136 4.214 4.350 -0.000 0.000 0.268 25 T C 1.679 176.364 174.700 -0.025 0.000 1.109 25 T CA 0.838 62.937 62.100 -0.001 0.000 1.119 25 T CB -0.325 68.544 68.868 0.002 0.000 0.900 25 T HN 0.445 nan 8.240 nan 0.000 0.503 26 R N 0.592 121.055 120.500 -0.061 0.000 2.334 26 R HA 0.380 4.720 4.340 -0.000 0.000 0.220 26 R C 1.661 177.912 176.300 -0.080 0.000 0.917 26 R CA 0.352 56.378 56.100 -0.124 0.000 1.073 26 R CB 0.058 30.206 30.300 -0.253 0.000 1.056 26 R HN 0.561 nan 8.270 nan 0.000 0.506 27 G N -0.128 108.692 108.800 0.032 0.000 2.157 27 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 27 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 27 G C -0.654 174.452 174.900 0.344 0.000 0.979 27 G CA -0.367 44.819 45.100 0.143 0.000 0.650 27 G HN 0.192 nan 8.290 nan 0.000 0.529 28 W N 1.658 122.937 121.300 -0.035 0.000 2.283 28 W HA 0.655 5.315 4.660 -0.000 0.000 0.317 28 W C 0.680 177.173 176.519 -0.044 0.000 1.042 28 W CA -0.950 56.370 57.345 -0.042 0.000 1.348 28 W CB 0.684 30.112 29.460 -0.054 0.000 1.216 28 W HN 0.310 nan 8.180 nan 0.000 0.404 29 N N 0.655 119.427 118.700 0.120 0.000 2.170 29 N HA -0.018 4.722 4.740 -0.000 0.000 0.222 29 N C -0.137 175.367 175.510 -0.009 0.000 1.218 29 N CA -0.132 52.949 53.050 0.051 0.000 0.889 29 N CB -0.243 38.269 38.487 0.041 0.000 1.083 29 N HN 0.095 nan 8.380 nan 0.000 0.520 30 N N 1.442 120.112 118.700 -0.050 0.000 3.050 30 N HA 0.216 4.956 4.740 -0.000 0.000 0.289 30 N C -1.176 174.284 175.510 -0.084 0.000 1.209 30 N CA -0.048 52.952 53.050 -0.084 0.000 1.154 30 N CB -0.433 37.978 38.487 -0.127 0.000 1.444 30 N HN 0.353 nan 8.380 nan 0.000 0.529 31 I N 0.488 121.011 120.570 -0.080 0.000 2.498 31 I HA 0.242 4.412 4.170 -0.000 0.000 0.290 31 I C -0.184 175.839 176.117 -0.156 0.000 1.032 31 I CA -0.676 60.561 61.300 -0.106 0.000 1.073 31 I CB 2.305 40.246 38.000 -0.098 0.000 1.251 31 I HN -0.018 nan 8.210 nan 0.000 0.426 32 T N 5.198 119.654 114.554 -0.163 0.000 2.786 32 T HA 0.446 4.796 4.350 -0.000 0.000 0.283 32 T C -0.331 174.225 174.700 -0.240 0.000 0.992 32 T CA -0.439 61.544 62.100 -0.195 0.000 0.954 32 T CB 1.556 70.350 68.868 -0.123 0.000 0.934 32 T HN 0.161 nan 8.240 nan 0.000 0.440 33 V N 5.565 125.244 119.914 -0.391 0.000 2.394 33 V HA 0.482 4.602 4.120 -0.000 0.000 0.282 33 V C -0.103 175.888 176.094 -0.171 0.000 1.031 33 V CA -0.766 61.331 62.300 -0.337 0.000 0.881 33 V CB 1.100 32.577 31.823 -0.577 0.000 0.982 33 V HN 0.712 nan 8.190 nan 0.000 0.451 34 L N 4.377 125.538 121.223 -0.103 0.000 2.334 34 L HA 0.720 5.060 4.340 -0.000 0.000 0.276 34 L C -0.529 176.302 176.870 -0.066 0.000 1.014 34 L CA -0.344 54.456 54.840 -0.068 0.000 0.815 34 L CB 1.900 43.916 42.059 -0.073 0.000 1.268 34 L HN 0.588 nan 8.230 nan 0.000 0.428 35 D N 0.887 121.251 120.400 -0.061 0.000 2.947 35 D HA 0.093 4.733 4.640 -0.000 0.000 0.224 35 D C 0.120 176.348 176.300 -0.120 0.000 1.230 35 D CA -0.335 53.599 54.000 -0.110 0.000 0.871 35 D CB 2.393 43.145 40.800 -0.081 0.000 1.671 35 D HN 0.704 nan 8.370 nan 0.000 0.507 36 Q N 1.646 121.332 119.800 -0.191 0.000 2.297 36 Q HA 0.089 4.428 4.340 -0.000 0.000 0.204 36 Q C 0.831 176.764 176.000 -0.111 0.000 0.962 36 Q CA 0.381 56.090 55.803 -0.158 0.000 0.879 36 Q CB 0.151 28.752 28.738 -0.228 0.000 0.947 36 Q HN 0.286 nan 8.270 nan 0.000 0.462 37 G N 2.361 111.082 108.800 -0.133 0.000 2.547 37 G HA2 0.404 4.364 3.960 -0.000 0.000 0.291 37 G HA3 0.404 4.364 3.960 -0.000 0.000 0.291 37 G C -2.589 172.285 174.900 -0.043 0.000 1.211 37 G CA -1.505 43.548 45.100 -0.078 0.000 0.950 37 G HN 0.102 nan 8.290 nan 0.000 0.504 38 P HA 0.123 nan 4.420 nan 0.000 0.275 38 P C 1.109 178.394 177.300 -0.025 0.000 1.227 38 P CA -0.321 62.772 63.100 -0.012 0.000 0.781 38 P CB 1.449 33.150 31.700 0.002 0.000 0.906 39 L N 2.096 123.304 121.223 -0.025 0.000 2.127 39 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 39 L C 2.174 179.006 176.870 -0.063 0.000 1.089 39 L CA 1.758 56.571 54.840 -0.046 0.000 0.757 39 L CB -0.952 41.072 42.059 -0.058 0.000 0.899 39 L HN 0.476 nan 8.230 nan 0.000 0.434 40 N N 0.043 118.715 118.700 -0.047 0.000 2.459 40 N HA -0.167 4.573 4.740 -0.000 0.000 0.181 40 N C 0.754 176.239 175.510 -0.041 0.000 1.046 40 N CA 0.765 53.787 53.050 -0.047 0.000 0.904 40 N CB 0.120 38.587 38.487 -0.033 0.000 0.964 40 N HN 0.368 nan 8.380 nan 0.000 0.444 41 M N -0.759 118.820 119.600 -0.036 0.000 2.663 41 M HA 0.254 4.734 4.480 -0.000 0.000 0.252 41 M C -2.550 173.728 176.300 -0.038 0.000 1.173 41 M CA -1.089 54.189 55.300 -0.036 0.000 0.838 41 M CB 1.569 34.152 32.600 -0.029 0.000 2.811 41 M HN -0.266 nan 8.290 nan 0.000 0.382 42 P HA -0.003 nan 4.420 nan 0.000 0.216 42 P C 0.943 178.203 177.300 -0.066 0.000 1.150 42 P CA 2.733 65.796 63.100 -0.061 0.000 0.843 42 P CB 0.276 31.937 31.700 -0.065 0.000 0.787 43 G N -3.108 105.670 108.800 -0.038 0.000 2.159 43 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.227 43 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.227 43 G C 0.625 175.585 174.900 0.099 0.000 0.986 43 G CA -0.267 44.822 45.100 -0.018 0.000 0.651 43 G HN 0.665 nan 8.290 nan 0.000 0.523 44 G N -0.096 108.771 108.800 0.112 0.000 2.516 44 G HA2 0.492 4.452 3.960 -0.000 0.000 0.276 44 G HA3 0.492 4.452 3.960 -0.000 0.000 0.276 44 G C 1.307 176.294 174.900 0.145 0.000 1.390 44 G CA 0.944 46.200 45.100 0.260 0.000 1.050 44 G HN 0.642 nan 8.290 nan 0.000 0.519 45 S N -0.938 114.845 115.700 0.138 0.000 2.399 45 S HA -0.132 4.338 4.470 -0.000 0.000 0.231 45 S C 2.514 176.920 174.600 -0.324 0.000 1.022 45 S CA 1.717 59.819 58.200 -0.164 0.000 0.983 45 S CB -0.353 62.911 63.200 0.106 0.000 0.803 45 S HN 0.609 nan 8.310 nan 0.000 0.480 46 T N 1.966 116.464 114.554 -0.093 0.000 2.803 46 T HA -0.055 4.295 4.350 -0.000 0.000 0.269 46 T C 1.841 176.493 174.700 -0.079 0.000 1.052 46 T CA 1.287 63.349 62.100 -0.063 0.000 1.136 46 T CB -0.310 68.550 68.868 -0.014 0.000 0.864 46 T HN 0.341 nan 8.240 nan 0.000 0.467 47 S N 0.519 116.172 115.700 -0.078 0.000 2.603 47 S HA -0.050 4.420 4.470 -0.000 0.000 0.229 47 S C 1.361 175.946 174.600 -0.025 0.000 0.972 47 S CA 0.343 58.515 58.200 -0.047 0.000 0.935 47 S CB -0.310 62.871 63.200 -0.030 0.000 0.769 47 S HN 0.832 nan 8.310 nan 0.000 0.536 48 H N -1.553 117.516 119.070 -0.001 0.000 3.233 48 H HA 0.564 5.120 4.556 -0.000 0.000 0.263 48 H C 0.256 175.618 175.328 0.057 0.000 1.168 48 H CA -0.290 55.742 56.048 -0.027 0.000 1.159 48 H CB -0.037 29.660 29.762 -0.108 0.000 1.593 48 H HN 0.202 nan 8.280 nan 0.000 0.580 49 A N 3.565 126.411 122.820 0.042 0.000 2.450 49 A HA 0.226 4.546 4.320 -0.000 0.000 0.255 49 A C -0.957 176.657 177.584 0.049 0.000 1.096 49 A CA -1.094 50.995 52.037 0.088 0.000 0.778 49 A CB 0.498 19.533 19.000 0.058 0.000 1.031 49 A HN 0.352 nan 8.150 nan 0.000 0.494 50 P HA 0.064 nan 4.420 nan 0.000 0.229 50 P C 0.899 178.235 177.300 0.059 0.000 1.160 50 P CA 1.172 64.275 63.100 0.005 0.000 0.777 50 P CB 0.214 31.865 31.700 -0.082 0.000 0.814 51 G N -0.461 108.377 108.800 0.063 0.000 2.132 51 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.234 51 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.234 51 G C -0.272 174.622 174.900 -0.010 0.000 0.989 51 G CA -0.390 44.731 45.100 0.036 0.000 0.676 51 G HN 0.223 nan 8.290 nan 0.000 0.522 52 L N 0.552 121.763 121.223 -0.021 0.000 2.455 52 L HA 0.491 4.831 4.340 -0.000 0.000 0.272 52 L C 0.644 177.433 176.870 -0.135 0.000 1.174 52 L CA 0.093 54.855 54.840 -0.130 0.000 0.869 52 L CB 1.624 43.606 42.059 -0.128 0.000 1.130 52 L HN 0.016 nan 8.230 nan 0.000 0.474 53 V N 5.072 124.870 119.914 -0.193 0.000 2.349 53 V HA 0.361 4.481 4.120 -0.000 0.000 0.284 53 V C -0.510 175.473 176.094 -0.186 0.000 1.014 53 V CA -0.431 61.828 62.300 -0.068 0.000 0.826 53 V CB 0.696 32.630 31.823 0.185 0.000 1.009 53 V HN 0.381 nan 8.190 nan 0.000 0.431 54 F N 3.341 123.286 119.950 -0.009 0.000 2.361 54 F HA 0.398 4.925 4.527 -0.000 0.000 0.364 54 F C 1.413 177.224 175.800 0.018 0.000 1.117 54 F CA -0.269 57.738 58.000 0.011 0.000 1.071 54 F CB 1.816 40.800 39.000 -0.027 0.000 1.188 54 F HN 0.455 nan 8.300 nan 0.000 0.464 55 Q N 0.802 120.725 119.800 0.205 0.000 2.137 55 Q HA -0.018 4.321 4.340 -0.000 0.000 0.198 55 Q C 0.551 176.675 176.000 0.206 0.000 0.960 55 Q CA 0.777 56.683 55.803 0.171 0.000 0.847 55 Q CB -0.025 28.792 28.738 0.131 0.000 0.915 55 Q HN 0.572 nan 8.270 nan 0.000 0.448 56 T N 1.992 116.678 114.554 0.221 0.000 2.928 56 T HA 0.112 4.462 4.350 -0.000 0.000 0.305 56 T C -0.073 174.762 174.700 0.224 0.000 1.035 56 T CA 0.114 62.359 62.100 0.243 0.000 1.145 56 T CB 0.300 69.290 68.868 0.204 0.000 0.963 56 T HN 0.172 nan 8.240 nan 0.000 0.545 57 N N 2.276 121.126 118.700 0.250 0.000 2.636 57 N HA 0.208 4.948 4.740 -0.000 0.000 0.261 57 N C -2.432 173.040 175.510 -0.063 0.000 1.195 57 N CA -1.690 51.422 53.050 0.104 0.000 0.902 57 N CB 2.472 40.995 38.487 0.060 0.000 1.627 57 N HN 0.137 nan 8.380 nan 0.000 0.491 58 P HA -0.057 nan 4.420 nan 0.000 0.222 58 P C 0.452 177.569 177.300 -0.305 0.000 1.147 58 P CA 0.806 63.392 63.100 -0.857 0.000 0.790 58 P CB 0.243 31.675 31.700 -0.446 0.000 0.780 59 S N 0.035 115.573 115.700 -0.270 0.000 2.465 59 S HA 0.172 4.642 4.470 -0.000 0.000 0.279 59 S C 1.309 175.403 174.600 -0.843 0.000 1.201 59 S CA -0.696 57.254 58.200 -0.416 0.000 1.053 59 S CB 0.560 63.559 63.200 -0.334 0.000 0.953 59 S HN -0.058 nan 8.310 nan 0.000 0.488 60 K N 3.450 123.031 120.400 -1.364 0.000 2.032 60 K HA -0.127 4.193 4.320 -0.000 0.000 0.209 60 K C 1.683 177.632 176.600 -1.084 0.000 1.048 60 K CA 2.111 57.192 56.287 -2.010 0.000 0.927 60 K CB -0.542 30.842 32.500 -1.859 0.000 0.712 60 K HN 0.699 nan 8.250 nan 0.000 0.441 61 T N 1.355 115.410 114.554 -0.832 0.000 2.708 61 T HA -0.123 4.227 4.350 -0.000 0.000 0.266 61 T C 1.792 175.891 174.700 -1.001 0.000 1.037 61 T CA 1.527 63.113 62.100 -0.857 0.000 1.146 61 T CB -0.054 68.368 68.868 -0.745 0.000 0.865 61 T HN 0.198 nan 8.240 nan 0.000 0.435 62 M N 1.152 120.314 119.600 -0.731 0.000 2.159 62 M HA 0.084 4.564 4.480 -0.000 0.000 0.263 62 M C 2.765 178.915 176.300 -0.250 0.000 1.063 62 M CA 1.189 56.151 55.300 -0.564 0.000 1.110 62 M CB -1.638 30.664 32.600 -0.496 0.000 1.374 62 M HN 0.286 nan 8.290 nan 0.000 0.411 63 A N 0.893 123.526 122.820 -0.312 0.000 1.902 63 A HA -0.145 4.175 4.320 -0.000 0.000 0.217 63 A C 2.489 180.036 177.584 -0.062 0.000 1.181 63 A CA 2.439 54.409 52.037 -0.113 0.000 0.623 63 A CB -0.945 17.953 19.000 -0.171 0.000 0.818 63 A HN 0.612 nan 8.150 nan 0.000 0.443 64 S N -0.575 114.994 115.700 -0.218 0.000 2.368 64 S HA -0.149 4.320 4.470 -0.000 0.000 0.225 64 S C 1.896 176.580 174.600 0.140 0.000 1.030 64 S CA 1.332 59.480 58.200 -0.087 0.000 0.999 64 S CB -1.040 62.042 63.200 -0.197 0.000 0.844 64 S HN 0.550 nan 8.310 nan 0.000 0.459 65 F N 2.190 122.156 119.950 0.026 0.000 2.171 65 F HA -0.075 4.451 4.527 -0.000 0.000 0.300 65 F C 3.049 178.973 175.800 0.206 0.000 1.090 65 F CA 0.534 58.610 58.000 0.127 0.000 1.293 65 F CB -0.413 38.663 39.000 0.128 0.000 1.013 65 F HN 0.373 nan 8.300 nan 0.000 0.486 66 A N 0.312 123.384 122.820 0.421 0.000 1.897 66 A HA -0.162 4.158 4.320 -0.000 0.000 0.215 66 A C 2.056 179.705 177.584 0.108 0.000 1.181 66 A CA 1.302 53.483 52.037 0.240 0.000 0.620 66 A CB -0.483 18.642 19.000 0.208 0.000 0.821 66 A HN 0.265 nan 8.150 nan 0.000 0.443 67 K N -1.722 118.750 120.400 0.120 0.000 2.097 67 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 67 K C 1.926 178.556 176.600 0.051 0.000 1.049 67 K CA 1.627 57.948 56.287 0.057 0.000 0.933 67 K CB -0.335 32.213 32.500 0.079 0.000 0.717 67 K HN 0.594 nan 8.250 nan 0.000 0.442 68 Y N 1.921 122.230 120.300 0.016 0.000 2.242 68 Y HA -0.205 4.344 4.550 -0.000 0.000 0.291 68 Y C 2.180 178.050 175.900 -0.051 0.000 1.137 68 Y CA 1.524 59.621 58.100 -0.005 0.000 1.181 68 Y CB -0.382 38.101 38.460 0.038 0.000 0.989 68 Y HN -0.045 nan 8.280 nan 0.000 0.527 69 T N -0.332 114.172 114.554 -0.083 0.000 2.746 69 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 69 T C 2.090 176.567 174.700 -0.372 0.000 1.039 69 T CA 1.674 63.655 62.100 -0.199 0.000 1.142 69 T CB -0.737 68.103 68.868 -0.047 0.000 0.866 69 T HN 0.187 nan 8.240 nan 0.000 0.444 70 V N 1.477 121.127 119.914 -0.441 0.000 2.255 70 V HA -0.213 3.907 4.120 -0.000 0.000 0.247 70 V C 2.555 178.294 176.094 -0.592 0.000 1.051 70 V CA 2.128 63.934 62.300 -0.822 0.000 1.018 70 V CB -0.601 30.809 31.823 -0.688 0.000 0.641 70 V HN 0.578 nan 8.190 nan 0.000 0.445 71 E N 0.268 120.238 120.200 -0.383 0.000 2.058 71 E HA -0.313 4.037 4.350 -0.000 0.000 0.194 71 E C 2.328 178.732 176.600 -0.328 0.000 0.997 71 E CA 1.930 58.158 56.400 -0.286 0.000 0.801 71 E CB -0.138 29.448 29.700 -0.190 0.000 0.746 71 E HN 0.575 nan 8.360 nan 0.000 0.450 72 K N 0.239 120.342 120.400 -0.494 0.000 2.057 72 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 72 K C 2.330 178.784 176.600 -0.242 0.000 1.050 72 K CA 1.038 57.064 56.287 -0.436 0.000 0.935 72 K CB -0.052 32.065 32.500 -0.640 0.000 0.715 72 K HN 0.183 nan 8.250 nan 0.000 0.439 73 L N 0.980 122.064 121.223 -0.232 0.000 2.141 73 L HA -0.144 4.196 4.340 -0.000 0.000 0.209 73 L C 2.279 179.140 176.870 -0.015 0.000 1.094 73 L CA 0.662 55.451 54.840 -0.086 0.000 0.763 73 L CB -0.288 41.772 42.059 0.001 0.000 0.908 73 L HN 0.228 nan 8.230 nan 0.000 0.437 74 L N -0.336 120.843 121.223 -0.073 0.000 2.131 74 L HA -0.209 4.131 4.340 -0.000 0.000 0.210 74 L C 2.784 179.646 176.870 -0.012 0.000 1.092 74 L CA 1.632 56.474 54.840 0.004 0.000 0.759 74 L CB -0.439 41.599 42.059 -0.035 0.000 0.903 74 L HN 0.397 nan 8.230 nan 0.000 0.435 75 S N -0.713 114.955 115.700 -0.053 0.000 2.496 75 S HA -0.038 4.432 4.470 -0.000 0.000 0.224 75 S C 0.756 175.339 174.600 -0.028 0.000 0.996 75 S CA -0.180 57.995 58.200 -0.042 0.000 0.927 75 S CB -0.141 63.022 63.200 -0.061 0.000 0.774 75 S HN 0.165 nan 8.310 nan 0.000 0.524 76 L N 2.679 123.885 121.223 -0.028 0.000 2.282 76 L HA 0.594 4.934 4.340 -0.000 0.000 0.287 76 L C -0.227 176.641 176.870 -0.004 0.000 1.075 76 L CA 0.494 55.323 54.840 -0.018 0.000 0.839 76 L CB 0.682 42.727 42.059 -0.024 0.000 1.219 76 L HN 0.252 nan 8.230 nan 0.000 0.434 77 T N 3.991 118.543 114.554 -0.004 0.000 2.896 77 T HA 0.620 4.970 4.350 -0.000 0.000 0.297 77 T C -1.506 173.193 174.700 -0.003 0.000 1.108 77 T CA -0.525 61.575 62.100 0.000 0.000 1.004 77 T CB 1.355 70.224 68.868 0.003 0.000 1.159 77 T HN 0.717 nan 8.240 nan 0.000 0.499 78 E N 1.456 121.654 120.200 -0.003 0.000 2.363 78 E HA 0.359 4.709 4.350 -0.000 0.000 0.281 78 E C -1.168 175.430 176.600 -0.003 0.000 0.953 78 E CA -0.517 55.880 56.400 -0.004 0.000 0.778 78 E CB 1.130 30.825 29.700 -0.008 0.000 1.220 78 E HN 0.725 nan 8.360 nan 0.000 0.431 79 D N 2.682 123.080 120.400 -0.003 0.000 2.811 79 D HA -0.209 4.431 4.640 -0.000 0.000 0.231 79 D C 0.686 176.985 176.300 -0.001 0.000 1.157 79 D CA 1.888 55.887 54.000 -0.002 0.000 0.716 79 D CB -1.439 39.359 40.800 -0.003 0.000 1.077 79 D HN 0.996 nan 8.370 nan 0.000 0.428 80 G N -2.040 106.760 108.800 0.000 0.000 2.155 80 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 80 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 80 G C 0.237 175.139 174.900 0.003 0.000 0.983 80 G CA 0.341 45.442 45.100 0.002 0.000 0.676 80 G HN 0.675 nan 8.290 nan 0.000 0.528 81 V N 1.541 121.457 119.914 0.002 0.000 2.444 81 V HA 0.686 4.806 4.120 -0.000 0.000 0.294 81 V C 0.825 176.924 176.094 0.007 0.000 1.022 81 V CA -0.135 62.166 62.300 0.003 0.000 0.850 81 V CB 1.586 33.409 31.823 -0.001 0.000 0.992 81 V HN 0.857 nan 8.190 nan 0.000 0.426 82 S N 3.323 119.033 115.700 0.016 0.000 2.652 82 S HA 0.198 4.668 4.470 -0.000 0.000 0.267 82 S C 0.611 175.232 174.600 0.034 0.000 1.201 82 S CA -0.378 57.839 58.200 0.028 0.000 0.996 82 S CB 1.111 64.339 63.200 0.047 0.000 1.054 82 S HN 0.679 nan 8.310 nan 0.000 0.561 83 C N 0.298 119.632 119.300 0.056 0.000 2.688 83 C HA 0.529 4.989 4.460 -0.000 0.000 0.297 83 C C -0.326 174.755 174.990 0.152 0.000 1.308 83 C CA -0.548 58.510 59.018 0.068 0.000 1.726 83 C CB -2.331 25.439 27.740 0.051 0.000 1.982 83 C HN 0.640 nan 8.230 nan 0.000 0.604 84 F N 2.171 122.098 119.950 -0.038 0.000 2.562 84 F HA 0.450 4.977 4.527 -0.000 0.000 0.319 84 F C -0.628 175.150 175.800 -0.036 0.000 1.154 84 F CA -0.663 57.312 58.000 -0.042 0.000 0.931 84 F CB 0.754 39.724 39.000 -0.050 0.000 1.198 84 F HN -0.030 nan 8.300 nan 0.000 0.444 85 N N 4.702 123.088 118.700 -0.524 0.000 2.546 85 N HA 0.125 4.865 4.740 -0.000 0.000 0.238 85 N C -0.809 174.408 175.510 -0.489 0.000 0.984 85 N CA -0.191 52.648 53.050 -0.351 0.000 0.935 85 N CB 1.002 39.328 38.487 -0.269 0.000 1.122 85 N HN 0.772 nan 8.380 nan 0.000 0.510 86 Q N 3.586 123.281 119.800 -0.175 0.000 3.184 86 Q HA 0.107 4.446 4.340 -0.000 0.000 0.288 86 Q C 0.917 176.903 176.000 -0.023 0.000 1.412 86 Q CA -0.305 55.492 55.803 -0.011 0.000 0.991 86 Q CB -0.022 28.859 28.738 0.237 0.000 1.688 86 Q HN 0.616 nan 8.270 nan 0.000 0.554 87 V N -0.752 119.101 119.914 -0.100 0.000 3.217 87 V HA 0.307 4.427 4.120 -0.000 0.000 0.264 87 V C 0.912 177.033 176.094 0.046 0.000 1.135 87 V CA 0.608 62.887 62.300 -0.036 0.000 1.142 87 V CB -1.106 30.676 31.823 -0.069 0.000 0.754 87 V HN 0.665 nan 8.190 nan 0.000 0.484 88 G N -0.886 107.944 108.800 0.050 0.000 2.757 88 G HA2 0.382 4.342 3.960 -0.000 0.000 0.638 88 G HA3 0.382 4.342 3.960 -0.000 0.000 0.638 88 G C -0.138 174.822 174.900 0.101 0.000 1.344 88 G CA -0.260 44.909 45.100 0.114 0.000 0.855 88 G HN 1.698 nan 8.290 nan 0.000 0.537 89 G N -1.460 107.452 108.800 0.187 0.000 2.682 89 G HA2 0.774 4.734 3.960 -0.000 0.000 0.300 89 G HA3 0.774 4.734 3.960 -0.000 0.000 0.300 89 G C -1.519 173.630 174.900 0.416 0.000 1.391 89 G CA -0.014 45.209 45.100 0.205 0.000 0.990 89 G HN 1.734 nan 8.290 nan 0.000 0.501 90 L N 0.782 122.260 121.223 0.425 0.000 2.406 90 L HA 0.614 4.954 4.340 -0.000 0.000 0.272 90 L C -0.456 176.564 176.870 0.250 0.000 0.980 90 L CA -0.624 54.399 54.840 0.304 0.000 0.831 90 L CB 1.800 43.968 42.059 0.183 0.000 1.253 90 L HN 0.569 nan 8.230 nan 0.000 0.406 91 E N 4.746 125.030 120.200 0.139 0.000 2.134 91 E HA 0.510 4.860 4.350 -0.000 0.000 0.278 91 E C -0.722 175.879 176.600 0.002 0.000 0.959 91 E CA -0.770 55.631 56.400 0.002 0.000 0.783 91 E CB 2.199 31.829 29.700 -0.117 0.000 1.095 91 E HN 0.544 nan 8.360 nan 0.000 0.399 92 V N -0.297 119.615 119.914 -0.004 0.000 2.713 92 V HA 0.842 4.962 4.120 -0.000 0.000 0.307 92 V C -0.125 175.977 176.094 0.013 0.000 1.052 92 V CA -0.867 61.424 62.300 -0.015 0.000 0.967 92 V CB 1.517 33.298 31.823 -0.070 0.000 1.019 92 V HN 0.664 nan 8.190 nan 0.000 0.459 93 A N 2.545 125.367 122.820 0.002 0.000 2.303 93 A HA 0.710 5.030 4.320 -0.000 0.000 0.320 93 A C 0.670 178.269 177.584 0.026 0.000 1.192 93 A CA 0.070 52.117 52.037 0.017 0.000 0.821 93 A CB 1.417 20.414 19.000 -0.006 0.000 1.188 93 A HN 1.504 nan 8.150 nan 0.000 0.492 94 T N -1.550 113.041 114.554 0.062 0.000 3.044 94 T HA 0.307 4.657 4.350 -0.000 0.000 0.260 94 T C 0.556 175.280 174.700 0.039 0.000 1.019 94 T CA 0.670 62.804 62.100 0.055 0.000 0.921 94 T CB -0.506 68.430 68.868 0.112 0.000 1.053 94 T HN 1.046 nan 8.240 nan 0.000 0.533 95 T N -1.609 112.964 114.554 0.032 0.000 2.916 95 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 95 T C 0.524 175.229 174.700 0.009 0.000 1.055 95 T CA -0.811 61.301 62.100 0.021 0.000 1.009 95 T CB 2.441 71.326 68.868 0.028 0.000 1.118 95 T HN -0.008 nan 8.240 nan 0.000 0.497 96 E N 0.516 120.718 120.200 0.004 0.000 2.150 96 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 96 E C 1.784 178.376 176.600 -0.014 0.000 0.985 96 E CA 1.372 57.767 56.400 -0.008 0.000 0.814 96 E CB -0.200 29.494 29.700 -0.010 0.000 0.752 96 E HN 0.727 nan 8.360 nan 0.000 0.466 97 T N 0.730 115.285 114.554 0.002 0.000 2.746 97 T HA -0.172 4.178 4.350 -0.000 0.000 0.267 97 T C 1.859 176.555 174.700 -0.007 0.000 1.039 97 T CA 1.404 63.509 62.100 0.008 0.000 1.142 97 T CB -0.118 68.779 68.868 0.047 0.000 0.866 97 T HN -0.009 nan 8.240 nan 0.000 0.444 98 R N 0.846 121.346 120.500 0.001 0.000 2.092 98 R HA 0.072 4.412 4.340 -0.000 0.000 0.231 98 R C 2.171 178.452 176.300 -0.032 0.000 1.119 98 R CA 0.956 57.049 56.100 -0.011 0.000 0.970 98 R CB -1.009 29.293 30.300 0.002 0.000 0.864 98 R HN 0.318 nan 8.270 nan 0.000 0.440 99 L N 0.115 121.323 121.223 -0.026 0.000 2.046 99 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 99 L C 2.067 178.911 176.870 -0.043 0.000 1.077 99 L CA 2.228 57.048 54.840 -0.033 0.000 0.747 99 L CB -0.894 41.150 42.059 -0.025 0.000 0.896 99 L HN 0.251 nan 8.230 nan 0.000 0.432 100 A N -0.952 121.842 122.820 -0.044 0.000 1.902 100 A HA -0.276 4.043 4.320 -0.000 0.000 0.217 100 A C 2.100 179.687 177.584 0.005 0.000 1.181 100 A CA 1.874 53.901 52.037 -0.016 0.000 0.623 100 A CB -1.015 17.916 19.000 -0.115 0.000 0.818 100 A HN 0.554 nan 8.150 nan 0.000 0.443 101 D N -0.255 120.103 120.400 -0.070 0.000 2.178 101 D HA -0.097 4.543 4.640 -0.000 0.000 0.201 101 D C 1.781 177.949 176.300 -0.219 0.000 0.980 101 D CA 0.899 54.803 54.000 -0.160 0.000 0.842 101 D CB -0.182 40.553 40.800 -0.108 0.000 0.948 101 D HN 0.450 nan 8.370 nan 0.000 0.472 102 L N -0.078 121.056 121.223 -0.148 0.000 2.131 102 L HA -0.132 4.208 4.340 -0.000 0.000 0.210 102 L C 2.325 179.073 176.870 -0.202 0.000 1.092 102 L CA 0.983 55.732 54.840 -0.150 0.000 0.759 102 L CB -0.330 41.677 42.059 -0.087 0.000 0.903 102 L HN 0.042 nan 8.230 nan 0.000 0.435 103 K N -0.030 120.246 120.400 -0.207 0.000 2.097 103 K HA -0.180 4.140 4.320 -0.000 0.000 0.205 103 K C 2.226 178.540 176.600 -0.477 0.000 1.050 103 K CA 0.995 57.136 56.287 -0.244 0.000 0.938 103 K CB -0.148 32.271 32.500 -0.135 0.000 0.718 103 K HN 0.170 nan 8.250 nan 0.000 0.442 104 R N 1.849 121.891 120.500 -0.764 0.000 2.081 104 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 104 R C 1.799 177.493 176.300 -1.011 0.000 1.131 104 R CA 1.609 57.054 56.100 -1.092 0.000 0.960 104 R CB 0.094 29.586 30.300 -1.347 0.000 0.856 104 R HN 0.047 nan 8.270 nan 0.000 0.436 105 K N 0.159 120.132 120.400 -0.712 0.000 2.148 105 K HA -0.123 4.196 4.320 -0.000 0.000 0.204 105 K C 2.005 178.427 176.600 -0.297 0.000 1.050 105 K CA 0.925 56.911 56.287 -0.501 0.000 0.942 105 K CB -0.152 32.239 32.500 -0.182 0.000 0.724 105 K HN 0.124 nan 8.250 nan 0.000 0.446 106 L N 0.873 121.939 121.223 -0.261 0.000 2.127 106 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 106 L C 2.014 178.778 176.870 -0.175 0.000 1.089 106 L CA 1.810 56.555 54.840 -0.159 0.000 0.757 106 L CB -0.713 41.269 42.059 -0.129 0.000 0.899 106 L HN 0.171 nan 8.230 nan 0.000 0.434 107 G N -1.719 106.900 108.800 -0.301 0.000 2.402 107 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.216 107 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.216 107 G C 1.270 175.992 174.900 -0.297 0.000 1.162 107 G CA 0.831 45.770 45.100 -0.268 0.000 0.777 107 G HN 0.416 nan 8.290 nan 0.000 0.539 108 Y N 1.548 121.621 120.300 -0.377 0.000 2.128 108 Y HA -0.046 4.504 4.550 -0.000 0.000 0.284 108 Y C 3.171 178.704 175.900 -0.611 0.000 1.154 108 Y CA 0.218 57.942 58.100 -0.626 0.000 1.149 108 Y CB -1.276 37.024 38.460 -0.266 0.000 0.976 108 Y HN 0.265 nan 8.280 nan 0.000 0.505 109 A N 0.379 123.148 122.820 -0.086 0.000 1.873 109 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 109 A C 2.570 180.113 177.584 -0.067 0.000 1.193 109 A CA 2.724 54.749 52.037 -0.018 0.000 0.629 109 A CB -1.379 17.631 19.000 0.017 0.000 0.826 109 A HN 0.428 nan 8.150 nan 0.000 0.447 110 A N -0.468 122.298 122.820 -0.090 0.000 1.902 110 A HA 0.160 4.480 4.320 -0.000 0.000 0.217 110 A C 2.526 180.005 177.584 -0.174 0.000 1.181 110 A CA 2.212 54.212 52.037 -0.061 0.000 0.623 110 A CB -1.077 17.958 19.000 0.060 0.000 0.818 110 A HN 1.190 nan 8.150 nan 0.000 0.443 111 A N -0.971 121.619 122.820 -0.384 0.000 1.908 111 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 111 A C 1.885 179.346 177.584 -0.206 0.000 1.181 111 A CA 1.295 53.013 52.037 -0.531 0.000 0.627 111 A CB -0.922 17.298 19.000 -1.301 0.000 0.818 111 A HN 0.824 nan 8.150 nan 0.000 0.445 112 W N -1.225 120.048 121.300 -0.045 0.000 3.316 112 W HA 0.422 5.082 4.660 -0.000 0.000 0.327 112 W C 1.339 177.844 176.519 -0.023 0.000 1.232 112 W CA -0.036 57.269 57.345 -0.068 0.000 1.805 112 W CB 0.141 29.550 29.460 -0.086 0.000 1.090 112 W HN 0.563 nan 8.180 nan 0.000 0.654 113 G N 2.044 110.939 108.800 0.158 0.000 2.225 113 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.264 113 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.264 113 G C -0.470 174.490 174.900 0.100 0.000 1.060 113 G CA -0.368 44.798 45.100 0.109 0.000 0.833 113 G HN 0.298 nan 8.290 nan 0.000 0.498 114 I N 0.438 121.067 120.570 0.099 0.000 2.406 114 I HA 0.633 4.803 4.170 -0.000 0.000 0.290 114 I C 0.613 176.762 176.117 0.055 0.000 0.999 114 I CA -0.376 60.975 61.300 0.084 0.000 1.124 114 I CB 1.613 39.682 38.000 0.116 0.000 1.289 114 I HN 0.314 nan 8.210 nan 0.000 0.441 115 E N 4.607 124.830 120.200 0.037 0.000 2.316 115 E HA 0.685 5.035 4.350 -0.000 0.000 0.275 115 E C 0.031 176.630 176.600 -0.002 0.000 1.029 115 E CA -0.093 56.319 56.400 0.020 0.000 0.871 115 E CB 1.388 31.096 29.700 0.012 0.000 1.022 115 E HN 0.931 nan 8.360 nan 0.000 0.418 116 G N -1.003 107.795 108.800 -0.003 0.000 2.608 116 G HA2 0.877 4.837 3.960 -0.000 0.000 0.291 116 G HA3 0.877 4.837 3.960 -0.000 0.000 0.291 116 G C -0.772 174.129 174.900 0.002 0.000 1.425 116 G CA 0.244 45.333 45.100 -0.018 0.000 0.787 116 G HN 1.171 nan 8.290 nan 0.000 0.484 117 R N -0.535 119.978 120.500 0.022 0.000 2.668 117 R HA 0.789 5.129 4.340 -0.000 0.000 0.272 117 R C -0.997 175.337 176.300 0.056 0.000 1.019 117 R CA -0.780 55.344 56.100 0.040 0.000 0.894 117 R CB 0.819 31.158 30.300 0.065 0.000 1.228 117 R HN 0.771 nan 8.270 nan 0.000 0.460 118 L N 2.744 123.983 121.223 0.027 0.000 2.331 118 L HA 0.550 4.890 4.340 -0.000 0.000 0.278 118 L C -0.148 176.742 176.870 0.033 0.000 1.106 118 L CA -0.572 54.280 54.840 0.021 0.000 0.824 118 L CB 1.022 43.075 42.059 -0.009 0.000 1.142 118 L HN 0.536 nan 8.230 nan 0.000 0.443 119 L N 2.444 123.689 121.223 0.037 0.000 2.317 119 L HA 0.421 4.761 4.340 -0.000 0.000 0.281 119 L C 0.545 177.421 176.870 0.009 0.000 1.024 119 L CA -0.535 54.322 54.840 0.029 0.000 0.810 119 L CB 2.012 44.090 42.059 0.032 0.000 1.240 119 L HN 0.727 nan 8.230 nan 0.000 0.427 120 S N 1.880 117.583 115.700 0.004 0.000 2.608 120 S HA 0.251 4.721 4.470 -0.000 0.000 0.261 120 S C -1.932 172.664 174.600 -0.006 0.000 1.314 120 S CA -0.966 57.232 58.200 -0.003 0.000 0.992 120 S CB 0.791 63.989 63.200 -0.003 0.000 0.935 120 S HN 0.421 nan 8.310 nan 0.000 0.564 121 P HA -0.118 nan 4.420 nan 0.000 0.216 121 P C 1.632 178.926 177.300 -0.011 0.000 1.153 121 P CA 2.144 65.236 63.100 -0.014 0.000 0.858 121 P CB -0.319 31.372 31.700 -0.015 0.000 0.789 122 A N -0.150 122.666 122.820 -0.008 0.000 1.902 122 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 122 A C 2.131 179.713 177.584 -0.004 0.000 1.181 122 A CA 1.795 53.828 52.037 -0.006 0.000 0.623 122 A CB -1.254 17.742 19.000 -0.005 0.000 0.818 122 A HN 0.204 nan 8.150 nan 0.000 0.443 123 E N -0.945 119.253 120.200 -0.003 0.000 2.150 123 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 123 E C 1.993 178.587 176.600 -0.009 0.000 0.985 123 E CA 1.100 57.498 56.400 -0.003 0.000 0.814 123 E CB -0.360 29.342 29.700 0.005 0.000 0.752 123 E HN 0.687 nan 8.360 nan 0.000 0.466 124 C N 1.032 120.328 119.300 -0.006 0.000 2.440 124 C HA -0.085 4.375 4.460 -0.000 0.000 0.278 124 C C 2.587 177.591 174.990 0.024 0.000 1.295 124 C CA 0.319 59.336 59.018 -0.001 0.000 1.738 124 C CB -0.541 27.192 27.740 -0.012 0.000 1.987 124 C HN 0.441 nan 8.230 nan 0.000 0.492 125 Q N 0.740 120.547 119.800 0.012 0.000 2.084 125 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 125 Q C 2.055 178.065 176.000 0.016 0.000 0.978 125 Q CA 1.603 57.417 55.803 0.018 0.000 0.844 125 Q CB -0.586 28.153 28.738 0.002 0.000 0.898 125 Q HN 0.801 nan 8.270 nan 0.000 0.426 126 E N 0.051 120.253 120.200 0.003 0.000 2.077 126 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 126 E C 1.954 178.545 176.600 -0.015 0.000 0.989 126 E CA 0.766 57.162 56.400 -0.007 0.000 0.800 126 E CB -0.052 29.643 29.700 -0.008 0.000 0.746 126 E HN 0.170 nan 8.360 nan 0.000 0.452 127 L N -0.445 120.767 121.223 -0.017 0.000 2.109 127 L HA -0.029 4.311 4.340 -0.000 0.000 0.207 127 L C 0.378 177.254 176.870 0.010 0.000 1.086 127 L CA 1.565 56.383 54.840 -0.037 0.000 0.760 127 L CB 0.093 42.083 42.059 -0.114 0.000 0.910 127 L HN 0.240 nan 8.230 nan 0.000 0.437 128 Y N -0.434 119.833 120.300 -0.055 0.000 2.513 128 Y HA 0.311 4.861 4.550 -0.000 0.000 0.341 128 Y C -1.917 173.960 175.900 -0.038 0.000 1.075 128 Y CA -1.682 56.398 58.100 -0.034 0.000 1.190 128 Y CB 0.715 39.157 38.460 -0.029 0.000 1.111 128 Y HN 0.050 nan 8.280 nan 0.000 0.644 129 P HA -0.150 nan 4.420 nan 0.000 0.223 129 P C 1.350 178.678 177.300 0.047 0.000 1.144 129 P CA 1.290 64.407 63.100 0.029 0.000 0.783 129 P CB 0.331 32.021 31.700 -0.017 0.000 0.771 130 L N -1.578 119.699 121.223 0.089 0.000 2.362 130 L HA -0.050 4.290 4.340 -0.000 0.000 0.219 130 L C 1.299 178.194 176.870 0.042 0.000 1.134 130 L CA 0.194 55.074 54.840 0.067 0.000 0.807 130 L CB -0.767 41.335 42.059 0.072 0.000 0.927 130 L HN -0.035 nan 8.230 nan 0.000 0.447 131 L N 1.147 122.427 121.223 0.096 0.000 2.513 131 L HA -0.029 4.311 4.340 -0.000 0.000 0.272 131 L C 0.456 177.289 176.870 -0.062 0.000 1.187 131 L CA -0.157 54.654 54.840 -0.049 0.000 0.895 131 L CB 0.072 42.093 42.059 -0.063 0.000 1.147 131 L HN 0.017 nan 8.230 nan 0.000 0.483 132 D N 3.053 123.393 120.400 -0.099 0.000 2.363 132 D HA 0.017 4.657 4.640 -0.000 0.000 0.263 132 D C 1.146 177.403 176.300 -0.072 0.000 1.258 132 D CA 0.180 54.133 54.000 -0.080 0.000 0.907 132 D CB 1.701 42.447 40.800 -0.091 0.000 1.107 132 D HN 0.655 nan 8.370 nan 0.000 0.495 133 G N 2.824 111.594 108.800 -0.050 0.000 2.509 133 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 133 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 133 G C 1.391 176.267 174.900 -0.040 0.000 1.124 133 G CA 1.047 46.121 45.100 -0.043 0.000 0.776 133 G HN 0.645 nan 8.290 nan 0.000 0.547 134 E N 1.869 122.045 120.200 -0.039 0.000 2.118 134 E HA -0.200 4.149 4.350 -0.000 0.000 0.195 134 E C 2.150 178.732 176.600 -0.029 0.000 0.992 134 E CA 1.522 57.903 56.400 -0.031 0.000 0.804 134 E CB -0.723 28.959 29.700 -0.031 0.000 0.741 134 E HN 0.522 nan 8.360 nan 0.000 0.458 135 N N -0.110 118.567 118.700 -0.039 0.000 2.331 135 N HA -0.014 4.726 4.740 -0.000 0.000 0.180 135 N C 0.317 175.808 175.510 -0.031 0.000 1.019 135 N CA 0.533 53.563 53.050 -0.034 0.000 0.881 135 N CB 0.222 38.675 38.487 -0.057 0.000 0.972 135 N HN 0.339 nan 8.380 nan 0.000 0.435 136 I N 1.958 122.503 120.570 -0.042 0.000 2.304 136 I HA 0.130 4.300 4.170 -0.000 0.000 0.291 136 I C 1.408 177.509 176.117 -0.026 0.000 1.018 136 I CA -0.150 61.125 61.300 -0.042 0.000 1.260 136 I CB 1.200 39.166 38.000 -0.057 0.000 1.390 136 I HN -0.077 nan 8.210 nan 0.000 0.475 137 L N 5.227 126.439 121.223 -0.018 0.000 2.477 137 L HA 0.373 4.713 4.340 -0.000 0.000 0.220 137 L C 0.978 177.838 176.870 -0.016 0.000 1.106 137 L CA 0.113 54.944 54.840 -0.015 0.000 0.851 137 L CB 0.155 42.208 42.059 -0.010 0.000 0.994 137 L HN 0.829 nan 8.230 nan 0.000 0.462 138 G N -1.071 107.718 108.800 -0.017 0.000 2.321 138 G HA2 0.442 4.401 3.960 -0.000 0.000 0.298 138 G HA3 0.442 4.401 3.960 -0.000 0.000 0.298 138 G C -1.551 173.341 174.900 -0.012 0.000 1.385 138 G CA -0.099 44.992 45.100 -0.014 0.000 0.856 138 G HN 0.052 nan 8.290 nan 0.000 0.584 139 G N -1.512 107.287 108.800 -0.002 0.000 2.690 139 G HA2 0.722 4.682 3.960 -0.000 0.000 0.291 139 G HA3 0.722 4.682 3.960 -0.000 0.000 0.291 139 G C -1.931 172.989 174.900 0.033 0.000 1.403 139 G CA -0.629 44.477 45.100 0.011 0.000 0.864 139 G HN 1.459 nan 8.290 nan 0.000 0.480 140 L N 0.853 122.106 121.223 0.051 0.000 2.319 140 L HA 0.589 4.928 4.340 -0.000 0.000 0.281 140 L C -0.496 176.479 176.870 0.175 0.000 1.005 140 L CA -0.727 54.160 54.840 0.077 0.000 0.828 140 L CB 1.222 43.297 42.059 0.026 0.000 1.227 140 L HN 0.708 nan 8.230 nan 0.000 0.415 141 H N 4.867 123.973 119.070 0.061 0.000 2.511 141 H HA 0.600 5.156 4.556 -0.000 0.000 0.328 141 H C -1.596 173.785 175.328 0.088 0.000 1.044 141 H CA -0.868 55.232 56.048 0.086 0.000 1.212 141 H CB 1.695 31.500 29.762 0.073 0.000 1.428 141 H HN 0.485 nan 8.280 nan 0.000 0.483 142 V N 8.375 128.252 119.914 -0.061 0.000 2.305 142 V HA 0.153 4.273 4.120 -0.000 0.000 0.275 142 V C -1.860 174.117 176.094 -0.195 0.000 1.020 142 V CA -1.382 60.849 62.300 -0.115 0.000 0.811 142 V CB 1.335 33.196 31.823 0.064 0.000 1.031 142 V HN 0.798 nan 8.190 nan 0.000 0.439 143 P HA -0.118 nan 4.420 nan 0.000 0.221 143 P C 1.480 178.774 177.300 -0.010 0.000 1.145 143 P CA 1.311 64.296 63.100 -0.191 0.000 0.795 143 P CB 0.250 31.846 31.700 -0.173 0.000 0.775 144 S N -3.083 112.623 115.700 0.010 0.000 2.548 144 S HA 0.051 4.521 4.470 -0.000 0.000 0.215 144 S C 0.777 175.464 174.600 0.145 0.000 0.976 144 S CA -0.204 58.039 58.200 0.071 0.000 0.908 144 S CB -0.660 62.561 63.200 0.035 0.000 0.781 144 S HN -0.013 nan 8.310 nan 0.000 0.519 145 D N 1.428 121.898 120.400 0.118 0.000 2.369 145 D HA 0.653 5.293 4.640 -0.000 0.000 0.241 145 D C 0.780 177.174 176.300 0.157 0.000 1.271 145 D CA 1.023 55.104 54.000 0.134 0.000 0.942 145 D CB 0.703 41.499 40.800 -0.006 0.000 1.129 145 D HN 0.475 nan 8.370 nan 0.000 0.476 146 G N -1.362 107.451 108.800 0.022 0.000 2.367 146 G HA2 0.293 4.253 3.960 -0.000 0.000 0.272 146 G HA3 0.293 4.253 3.960 -0.000 0.000 0.272 146 G C -1.829 172.712 174.900 -0.598 0.000 1.271 146 G CA -0.849 44.023 45.100 -0.380 0.000 0.893 146 G HN 0.346 nan 8.290 nan 0.000 0.485 147 L N 1.210 121.879 121.223 -0.924 0.000 2.305 147 L HA 0.700 5.040 4.340 -0.000 0.000 0.284 147 L C 0.753 177.267 176.870 -0.594 0.000 1.013 147 L CA -0.790 53.708 54.840 -0.570 0.000 0.819 147 L CB 1.665 43.508 42.059 -0.359 0.000 1.227 147 L HN 0.867 nan 8.230 nan 0.000 0.417 148 A N 2.236 124.956 122.820 -0.167 0.000 2.354 148 A HA 0.529 4.849 4.320 -0.000 0.000 0.269 148 A C 0.209 177.795 177.584 0.003 0.000 1.109 148 A CA -0.296 51.784 52.037 0.071 0.000 0.800 148 A CB 0.498 19.604 19.000 0.177 0.000 1.045 148 A HN 0.639 nan 8.150 nan 0.000 0.489 149 S N 1.986 117.702 115.700 0.028 0.000 2.921 149 S HA 0.370 4.840 4.470 -0.000 0.000 0.244 149 S C 1.254 175.870 174.600 0.027 0.000 1.291 149 S CA 0.024 58.233 58.200 0.015 0.000 1.010 149 S CB 0.696 63.900 63.200 0.006 0.000 1.255 149 S HN 0.959 nan 8.310 nan 0.000 0.492 150 A N 2.721 125.559 122.820 0.030 0.000 1.898 150 A HA 0.099 4.419 4.320 -0.000 0.000 0.216 150 A C 2.228 179.818 177.584 0.010 0.000 1.181 150 A CA 1.452 53.506 52.037 0.028 0.000 0.620 150 A CB -0.702 18.319 19.000 0.035 0.000 0.819 150 A HN 0.740 nan 8.150 nan 0.000 0.442 151 A N -0.259 122.562 122.820 0.002 0.000 1.930 151 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 151 A C 2.208 179.782 177.584 -0.017 0.000 1.175 151 A CA 1.657 53.687 52.037 -0.012 0.000 0.627 151 A CB -0.442 18.548 19.000 -0.017 0.000 0.815 151 A HN 0.538 nan 8.150 nan 0.000 0.443 152 R N -0.243 120.251 120.500 -0.010 0.000 2.081 152 R HA -0.082 4.258 4.340 -0.000 0.000 0.235 152 R C 2.241 178.533 176.300 -0.014 0.000 1.131 152 R CA 1.507 57.599 56.100 -0.013 0.000 0.960 152 R CB -0.426 29.870 30.300 -0.006 0.000 0.856 152 R HN 0.419 nan 8.270 nan 0.000 0.436 153 A N 0.157 122.974 122.820 -0.004 0.000 1.883 153 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 153 A C 2.269 179.843 177.584 -0.017 0.000 1.186 153 A CA 1.698 53.732 52.037 -0.005 0.000 0.624 153 A CB -0.711 18.294 19.000 0.008 0.000 0.822 153 A HN 0.227 nan 8.150 nan 0.000 0.444 154 V N 0.147 120.049 119.914 -0.020 0.000 2.287 154 V HA -0.300 3.820 4.120 -0.000 0.000 0.248 154 V C 2.798 178.850 176.094 -0.071 0.000 1.053 154 V CA 2.211 64.490 62.300 -0.035 0.000 1.027 154 V CB -0.719 31.083 31.823 -0.034 0.000 0.646 154 V HN 0.569 nan 8.190 nan 0.000 0.447 155 Q N -0.506 119.254 119.800 -0.068 0.000 2.079 155 Q HA -0.082 4.258 4.340 -0.000 0.000 0.200 155 Q C 2.235 178.183 176.000 -0.087 0.000 0.974 155 Q CA 1.495 57.244 55.803 -0.090 0.000 0.840 155 Q CB -0.401 28.297 28.738 -0.067 0.000 0.898 155 Q HN 0.567 nan 8.270 nan 0.000 0.430 156 L N -0.048 121.142 121.223 -0.055 0.000 2.156 156 L HA -0.103 4.236 4.340 -0.000 0.000 0.208 156 L C 2.340 179.185 176.870 -0.042 0.000 1.095 156 L CA 0.507 55.321 54.840 -0.043 0.000 0.770 156 L CB -0.426 41.617 42.059 -0.026 0.000 0.914 156 L HN 0.153 nan 8.230 nan 0.000 0.439 157 L N -0.362 120.837 121.223 -0.040 0.000 2.056 157 L HA -0.184 4.155 4.340 -0.000 0.000 0.207 157 L C 2.473 179.322 176.870 -0.034 0.000 1.078 157 L CA 1.182 56.013 54.840 -0.016 0.000 0.749 157 L CB -0.298 41.765 42.059 0.007 0.000 0.901 157 L HN 0.164 nan 8.230 nan 0.000 0.433 158 I N 0.423 120.901 120.570 -0.153 0.000 2.163 158 I HA -0.348 3.822 4.170 -0.000 0.000 0.243 158 I C 3.184 179.172 176.117 -0.215 0.000 1.085 158 I CA 1.825 62.880 61.300 -0.407 0.000 1.347 158 I CB -0.581 37.034 38.000 -0.642 0.000 1.044 158 I HN 0.232 nan 8.210 nan 0.000 0.408 159 K N 1.594 121.910 120.400 -0.140 0.000 2.032 159 K HA -0.223 4.097 4.320 -0.000 0.000 0.209 159 K C 2.102 178.688 176.600 -0.023 0.000 1.048 159 K CA 2.106 58.348 56.287 -0.074 0.000 0.927 159 K CB -1.208 31.258 32.500 -0.057 0.000 0.712 159 K HN 0.625 nan 8.250 nan 0.000 0.441 160 R N 0.533 121.028 120.500 -0.008 0.000 2.153 160 R HA -0.057 4.283 4.340 -0.000 0.000 0.218 160 R C 2.470 178.796 176.300 0.044 0.000 1.072 160 R CA 1.817 57.926 56.100 0.015 0.000 0.990 160 R CB -0.857 29.450 30.300 0.010 0.000 0.889 160 R HN 0.485 nan 8.270 nan 0.000 0.452 161 T N -1.151 113.449 114.554 0.077 0.000 2.821 161 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 161 T C 1.663 176.453 174.700 0.149 0.000 1.046 161 T CA 1.141 63.317 62.100 0.127 0.000 1.139 161 T CB -0.144 68.842 68.868 0.197 0.000 0.871 161 T HN 0.368 nan 8.240 nan 0.000 0.454 162 E N 1.206 121.509 120.200 0.171 0.000 2.085 162 E HA -0.099 4.251 4.350 -0.000 0.000 0.194 162 E C 2.554 179.199 176.600 0.074 0.000 0.994 162 E CA 1.351 57.838 56.400 0.145 0.000 0.801 162 E CB -0.213 29.545 29.700 0.097 0.000 0.743 162 E HN 0.507 nan 8.360 nan 0.000 0.453 163 S N 0.309 116.038 115.700 0.049 0.000 2.400 163 S HA -0.140 4.330 4.470 -0.000 0.000 0.232 163 S C 1.816 176.435 174.600 0.032 0.000 1.025 163 S CA 0.992 59.210 58.200 0.031 0.000 0.993 163 S CB 0.010 63.222 63.200 0.021 0.000 0.808 163 S HN 0.344 nan 8.310 nan 0.000 0.478 164 A N -0.117 122.727 122.820 0.041 0.000 2.275 164 A HA 0.540 4.860 4.320 -0.000 0.000 0.212 164 A C 1.529 179.133 177.584 0.033 0.000 1.201 164 A CA 0.724 52.783 52.037 0.036 0.000 0.843 164 A CB -0.455 18.569 19.000 0.040 0.000 0.873 164 A HN 0.774 nan 8.150 nan 0.000 0.492 165 G N -1.757 107.065 108.800 0.036 0.000 2.184 165 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.206 165 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.206 165 G C 0.170 175.078 174.900 0.014 0.000 0.995 165 G CA -0.053 45.061 45.100 0.023 0.000 0.651 165 G HN 0.655 nan 8.290 nan 0.000 0.511 166 V N 1.778 121.708 119.914 0.027 0.000 2.715 166 V HA 0.489 4.609 4.120 -0.000 0.000 0.299 166 V C 0.952 177.031 176.094 -0.025 0.000 1.054 166 V CA 0.712 62.995 62.300 -0.029 0.000 1.077 166 V CB 1.439 33.241 31.823 -0.034 0.000 0.972 166 V HN 0.293 nan 8.190 nan 0.000 0.484 167 T N 4.805 119.286 114.554 -0.121 0.000 2.829 167 T HA 0.551 4.901 4.350 -0.000 0.000 0.282 167 T C -0.915 173.652 174.700 -0.222 0.000 0.990 167 T CA -0.018 62.039 62.100 -0.073 0.000 1.028 167 T CB 0.488 69.319 68.868 -0.063 0.000 0.951 167 T HN 0.436 nan 8.240 nan 0.000 0.460 168 Y N 1.900 122.187 120.300 -0.023 0.000 2.364 168 Y HA 0.526 5.076 4.550 -0.000 0.000 0.340 168 Y C 0.661 176.543 175.900 -0.028 0.000 0.975 168 Y CA -1.017 57.066 58.100 -0.028 0.000 1.089 168 Y CB 1.428 39.871 38.460 -0.028 0.000 1.192 168 Y HN 0.389 nan 8.280 nan 0.000 0.454 169 R N 2.168 122.712 120.500 0.075 0.000 2.363 169 R HA 0.438 4.778 4.340 -0.000 0.000 0.297 169 R C 0.322 176.642 176.300 0.033 0.000 1.208 169 R CA -0.489 55.634 56.100 0.037 0.000 1.121 169 R CB 1.092 31.390 30.300 -0.004 0.000 1.124 169 R HN 0.863 nan 8.270 nan 0.000 0.561 170 G N -0.109 108.717 108.800 0.042 0.000 2.621 170 G HA2 0.181 4.141 3.960 -0.000 0.000 0.271 170 G HA3 0.181 4.141 3.960 -0.000 0.000 0.271 170 G C 0.085 174.982 174.900 -0.005 0.000 1.236 170 G CA -0.420 44.687 45.100 0.012 0.000 0.958 170 G HN 0.531 nan 8.290 nan 0.000 0.512 171 S N -1.772 113.918 115.700 -0.017 0.000 3.533 171 S HA -0.176 4.294 4.470 -0.000 0.000 0.347 171 S C 0.293 174.882 174.600 -0.019 0.000 1.101 171 S CA 1.172 59.364 58.200 -0.013 0.000 1.009 171 S CB -1.692 61.509 63.200 0.001 0.000 0.916 171 S HN 0.940 nan 8.310 nan 0.000 0.496 172 T N 2.117 116.649 114.554 -0.035 0.000 2.847 172 T HA 0.433 4.783 4.350 -0.000 0.000 0.291 172 T C -0.051 174.614 174.700 -0.059 0.000 0.998 172 T CA -0.418 61.660 62.100 -0.036 0.000 0.967 172 T CB 1.658 70.508 68.868 -0.030 0.000 0.954 172 T HN 0.131 nan 8.240 nan 0.000 0.441 173 T N 3.114 117.637 114.554 -0.051 0.000 2.749 173 T HA 0.383 4.733 4.350 -0.000 0.000 0.287 173 T C 0.521 175.193 174.700 -0.048 0.000 0.970 173 T CA -0.513 61.547 62.100 -0.066 0.000 0.980 173 T CB 0.867 69.707 68.868 -0.048 0.000 0.924 173 T HN 0.331 nan 8.240 nan 0.000 0.456 174 V N 4.590 124.469 119.914 -0.059 0.000 2.521 174 V HA 0.170 4.290 4.120 -0.000 0.000 0.286 174 V C 1.633 177.721 176.094 -0.010 0.000 1.034 174 V CA 0.306 62.590 62.300 -0.027 0.000 1.045 174 V CB 0.800 32.612 31.823 -0.019 0.000 0.974 174 V HN 1.166 nan 8.190 nan 0.000 0.480 175 T N 0.588 115.145 114.554 0.004 0.000 2.985 175 T HA 0.487 4.837 4.350 -0.000 0.000 0.254 175 T C 0.593 175.304 174.700 0.018 0.000 1.021 175 T CA 0.412 62.520 62.100 0.012 0.000 0.957 175 T CB 0.673 69.547 68.868 0.010 0.000 1.047 175 T HN 1.016 nan 8.240 nan 0.000 0.511 176 G N 0.678 109.492 108.800 0.022 0.000 2.550 176 G HA2 0.561 4.521 3.960 -0.000 0.000 0.293 176 G HA3 0.561 4.521 3.960 -0.000 0.000 0.293 176 G C -2.218 172.704 174.900 0.036 0.000 1.402 176 G CA -0.822 44.291 45.100 0.022 0.000 0.784 176 G HN 0.167 nan 8.290 nan 0.000 0.482 177 I N 0.740 121.327 120.570 0.027 0.000 2.499 177 I HA 0.407 4.576 4.170 -0.000 0.000 0.288 177 I C -0.184 175.947 176.117 0.022 0.000 1.048 177 I CA -0.740 60.591 61.300 0.050 0.000 1.062 177 I CB 1.672 39.703 38.000 0.053 0.000 1.238 177 I HN 0.670 nan 8.210 nan 0.000 0.426 178 E N 6.248 126.469 120.200 0.034 0.000 2.266 178 E HA 0.465 4.815 4.350 -0.000 0.000 0.277 178 E C -0.961 175.653 176.600 0.024 0.000 1.018 178 E CA -0.353 56.059 56.400 0.020 0.000 0.840 178 E CB 1.355 31.066 29.700 0.019 0.000 1.082 178 E HN 0.674 nan 8.360 nan 0.000 0.395 179 Q N 1.261 121.067 119.800 0.010 0.000 2.462 179 Q HA 0.615 4.955 4.340 -0.000 0.000 0.285 179 Q C -1.430 174.573 176.000 0.005 0.000 1.035 179 Q CA -1.072 54.738 55.803 0.011 0.000 0.799 179 Q CB 2.123 30.860 28.738 -0.002 0.000 1.452 179 Q HN 0.302 nan 8.270 nan 0.000 0.404 180 S N -0.523 115.182 115.700 0.009 0.000 2.543 180 S HA 0.597 5.067 4.470 -0.000 0.000 0.271 180 S C 0.186 174.790 174.600 0.008 0.000 1.148 180 S CA 0.373 58.576 58.200 0.005 0.000 0.914 180 S CB 1.309 64.511 63.200 0.003 0.000 1.096 180 S HN 1.627 nan 8.310 nan 0.000 0.471 181 G N 2.302 111.106 108.800 0.006 0.000 2.225 181 G HA2 0.018 3.978 3.960 -0.000 0.000 0.267 181 G HA3 0.018 3.978 3.960 -0.000 0.000 0.267 181 G C 1.390 176.303 174.900 0.021 0.000 1.024 181 G CA 1.024 46.130 45.100 0.010 0.000 0.784 181 G HN 2.313 nan 8.290 nan 0.000 0.507 182 G N -2.398 106.412 108.800 0.018 0.000 2.143 182 G HA2 0.146 4.106 3.960 -0.000 0.000 0.249 182 G HA3 0.146 4.106 3.960 -0.000 0.000 0.249 182 G C 0.321 175.245 174.900 0.040 0.000 0.981 182 G CA 1.575 46.690 45.100 0.025 0.000 0.665 182 G HN 2.459 nan 8.290 nan 0.000 0.528 183 R N -1.687 118.836 120.500 0.039 0.000 2.807 183 R HA 0.859 5.199 4.340 -0.000 0.000 0.276 183 R C 0.062 176.396 176.300 0.057 0.000 0.979 183 R CA -0.145 55.988 56.100 0.055 0.000 0.928 183 R CB 1.423 31.754 30.300 0.052 0.000 1.191 183 R HN 1.412 nan 8.270 nan 0.000 0.471 184 V N 1.909 121.877 119.914 0.091 0.000 2.740 184 V HA 0.341 4.461 4.120 -0.000 0.000 0.303 184 V C 1.099 177.237 176.094 0.073 0.000 1.054 184 V CA 1.389 63.753 62.300 0.108 0.000 1.106 184 V CB 1.507 33.452 31.823 0.204 0.000 0.957 184 V HN 1.277 nan 8.190 nan 0.000 0.486 185 T N 1.958 116.546 114.554 0.056 0.000 2.986 185 T HA 0.561 4.911 4.350 -0.000 0.000 0.264 185 T C 0.461 175.178 174.700 0.029 0.000 0.964 185 T CA 0.408 62.528 62.100 0.033 0.000 0.895 185 T CB 0.376 69.255 68.868 0.019 0.000 1.163 185 T HN 1.459 nan 8.240 nan 0.000 0.517 186 G N 0.242 109.068 108.800 0.044 0.000 2.356 186 G HA2 0.491 4.451 3.960 -0.000 0.000 0.294 186 G HA3 0.491 4.451 3.960 -0.000 0.000 0.294 186 G C -2.275 172.655 174.900 0.050 0.000 1.423 186 G CA -0.456 44.664 45.100 0.034 0.000 0.806 186 G HN 0.316 nan 8.290 nan 0.000 0.527 187 V N 0.755 120.690 119.914 0.034 0.000 2.487 187 V HA 0.473 4.593 4.120 -0.000 0.000 0.298 187 V C -0.173 175.933 176.094 0.020 0.000 1.028 187 V CA -0.663 61.661 62.300 0.040 0.000 0.860 187 V CB 1.447 33.288 31.823 0.030 0.000 0.991 187 V HN 0.743 nan 8.190 nan 0.000 0.427 188 Q N 2.605 122.419 119.800 0.022 0.000 2.243 188 Q HA 0.636 4.976 4.340 -0.000 0.000 0.252 188 Q C 0.149 176.152 176.000 0.005 0.000 0.909 188 Q CA -0.378 55.432 55.803 0.011 0.000 0.922 188 Q CB 1.926 30.671 28.738 0.011 0.000 1.215 188 Q HN 0.936 nan 8.270 nan 0.000 0.427 189 T N -2.420 112.134 114.554 -0.001 0.000 2.831 189 T HA 0.583 4.932 4.350 -0.000 0.000 0.287 189 T C 0.780 175.479 174.700 -0.002 0.000 1.070 189 T CA -0.287 61.811 62.100 -0.005 0.000 1.010 189 T CB 1.170 70.031 68.868 -0.011 0.000 1.264 189 T HN 0.491 nan 8.240 nan 0.000 0.532 190 A N 0.055 122.874 122.820 -0.002 0.000 2.076 190 A HA -0.009 4.311 4.320 -0.000 0.000 0.220 190 A C 1.502 179.086 177.584 -0.001 0.000 1.160 190 A CA 1.659 53.696 52.037 0.000 0.000 0.653 190 A CB -0.859 18.142 19.000 0.002 0.000 0.801 190 A HN 0.813 nan 8.150 nan 0.000 0.455 191 D N -1.346 119.052 120.400 -0.003 0.000 2.368 191 D HA 0.411 5.051 4.640 -0.000 0.000 0.218 191 D C 0.874 177.172 176.300 -0.004 0.000 1.112 191 D CA 1.245 55.243 54.000 -0.003 0.000 0.834 191 D CB 0.476 41.273 40.800 -0.004 0.000 0.953 191 D HN 0.583 nan 8.370 nan 0.000 0.505 192 G N -0.687 108.111 108.800 -0.004 0.000 2.343 192 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.562 192 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.562 192 G C -1.198 173.700 174.900 -0.004 0.000 1.269 192 G CA -0.808 44.289 45.100 -0.004 0.000 1.011 192 G HN -0.005 nan 8.290 nan 0.000 0.498 193 V N 0.556 120.468 119.914 -0.004 0.000 2.427 193 V HA 0.587 4.707 4.120 -0.000 0.000 0.286 193 V C 0.609 176.699 176.094 -0.006 0.000 1.034 193 V CA -0.492 61.807 62.300 -0.002 0.000 0.893 193 V CB 1.389 33.212 31.823 0.000 0.000 0.982 193 V HN 0.627 nan 8.190 nan 0.000 0.452 194 I N 7.640 128.206 120.570 -0.007 0.000 2.315 194 I HA 0.325 4.495 4.170 -0.000 0.000 0.291 194 I C -1.986 174.124 176.117 -0.011 0.000 1.006 194 I CA -1.819 59.472 61.300 -0.014 0.000 1.265 194 I CB 1.679 39.666 38.000 -0.022 0.000 1.387 194 I HN 0.454 nan 8.210 nan 0.000 0.475 195 P HA 0.278 nan 4.420 nan 0.000 0.271 195 P C -1.017 176.272 177.300 -0.017 0.000 1.218 195 P CA -0.195 62.897 63.100 -0.013 0.000 0.780 195 P CB 1.305 32.993 31.700 -0.020 0.000 0.901 196 A N 1.993 124.809 122.820 -0.007 0.000 2.566 196 A HA 0.404 4.723 4.320 -0.000 0.000 0.297 196 A C 0.235 177.821 177.584 0.004 0.000 1.059 196 A CA -0.541 51.491 52.037 -0.009 0.000 0.691 196 A CB 0.902 19.905 19.000 0.005 0.000 1.282 196 A HN 0.423 nan 8.150 nan 0.000 0.401 197 D N 0.529 120.922 120.400 -0.011 0.000 2.301 197 D HA 0.189 4.828 4.640 -0.000 0.000 0.206 197 D C 0.151 176.484 176.300 0.055 0.000 0.979 197 D CA 1.335 55.339 54.000 0.006 0.000 0.874 197 D CB 0.532 41.310 40.800 -0.036 0.000 0.968 197 D HN 0.530 nan 8.370 nan 0.000 0.510 198 I N 1.030 121.629 120.570 0.047 0.000 2.533 198 I HA 0.229 4.398 4.170 -0.000 0.000 0.290 198 I C -1.001 175.140 176.117 0.040 0.000 1.056 198 I CA -0.781 60.579 61.300 0.101 0.000 1.057 198 I CB 3.205 41.258 38.000 0.089 0.000 1.240 198 I HN -0.400 nan 8.210 nan 0.000 0.423 199 V N 6.615 126.546 119.914 0.028 0.000 2.487 199 V HA 0.447 4.566 4.120 -0.000 0.000 0.298 199 V C -0.382 175.537 176.094 -0.291 0.000 1.028 199 V CA -0.679 61.544 62.300 -0.128 0.000 0.860 199 V CB 2.250 34.008 31.823 -0.108 0.000 0.991 199 V HN 0.396 nan 8.190 nan 0.000 0.427 200 V N 3.226 122.992 119.914 -0.247 0.000 2.409 200 V HA 0.405 4.525 4.120 -0.000 0.000 0.291 200 V C 0.377 176.315 176.094 -0.260 0.000 1.020 200 V CA -0.426 61.724 62.300 -0.249 0.000 0.848 200 V CB 1.770 33.502 31.823 -0.152 0.000 0.990 200 V HN 0.837 nan 8.190 nan 0.000 0.430 201 S N 3.664 119.176 115.700 -0.315 0.000 2.405 201 S HA 0.187 4.657 4.470 -0.000 0.000 0.291 201 S C 0.206 174.777 174.600 -0.048 0.000 1.137 201 S CA -0.409 57.707 58.200 -0.141 0.000 1.061 201 S CB -0.275 62.906 63.200 -0.032 0.000 1.001 201 S HN 0.868 nan 8.310 nan 0.000 0.507 202 C N 5.004 124.277 119.300 -0.045 0.000 2.534 202 C HA 0.518 4.978 4.460 -0.000 0.000 0.285 202 C C 1.554 176.536 174.990 -0.014 0.000 1.505 202 C CA -0.671 58.333 59.018 -0.022 0.000 1.715 202 C CB -1.353 26.366 27.740 -0.036 0.000 2.935 202 C HN 0.932 nan 8.230 nan 0.000 0.540 203 A N 0.366 123.193 122.820 0.012 0.000 2.337 203 A HA 0.539 4.859 4.320 -0.000 0.000 0.227 203 A C 1.547 179.197 177.584 0.109 0.000 1.259 203 A CA 0.870 52.920 52.037 0.022 0.000 0.870 203 A CB -0.584 18.441 19.000 0.042 0.000 0.927 203 A HN 1.048 nan 8.150 nan 0.000 0.497 204 G N 0.687 109.530 108.800 0.072 0.000 2.634 204 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.309 204 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.309 204 G C 0.699 175.645 174.900 0.077 0.000 1.265 204 G CA 1.047 46.185 45.100 0.063 0.000 0.998 204 G HN 1.358 nan 8.290 nan 0.000 0.551 205 F N -1.389 118.601 119.950 0.065 0.000 2.699 205 F HA 0.325 4.852 4.527 -0.000 0.000 0.298 205 F C 1.869 177.603 175.800 -0.109 0.000 1.154 205 F CA 0.518 58.453 58.000 -0.108 0.000 1.457 205 F CB -0.313 38.531 39.000 -0.261 0.000 1.106 205 F HN 0.368 nan 8.300 nan 0.000 0.585 206 W N 1.559 122.771 121.300 -0.147 0.000 3.180 206 W HA 0.270 4.930 4.660 -0.000 0.000 0.254 206 W C 1.966 178.493 176.519 0.014 0.000 1.318 206 W CA 0.380 57.708 57.345 -0.030 0.000 1.608 206 W CB -0.511 28.869 29.460 -0.134 0.000 1.124 206 W HN 0.293 nan 8.180 nan 0.000 0.694 207 G N 1.142 110.067 108.800 0.210 0.000 2.442 207 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 207 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 207 G C 1.746 176.732 174.900 0.143 0.000 1.141 207 G CA 1.330 46.527 45.100 0.162 0.000 0.763 207 G HN 0.230 nan 8.290 nan 0.000 0.554 208 A N 0.526 123.417 122.820 0.118 0.000 1.929 208 A HA 0.078 4.398 4.320 -0.000 0.000 0.216 208 A C 2.184 179.824 177.584 0.093 0.000 1.176 208 A CA 1.972 54.060 52.037 0.084 0.000 0.628 208 A CB -0.356 18.675 19.000 0.051 0.000 0.816 208 A HN 0.403 nan 8.150 nan 0.000 0.444 209 K N -0.248 120.231 120.400 0.131 0.000 2.057 209 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 209 K C 1.732 178.404 176.600 0.121 0.000 1.049 209 K CA 1.567 57.935 56.287 0.136 0.000 0.931 209 K CB -0.227 32.401 32.500 0.213 0.000 0.714 209 K HN 0.351 nan 8.250 nan 0.000 0.440 210 I N 1.151 121.810 120.570 0.149 0.000 2.226 210 I HA -0.145 4.025 4.170 -0.000 0.000 0.245 210 I C 2.531 178.714 176.117 0.111 0.000 1.100 210 I CA 1.640 63.029 61.300 0.147 0.000 1.374 210 I CB -1.734 36.385 38.000 0.198 0.000 1.057 210 I HN 0.386 nan 8.210 nan 0.000 0.413 211 G N 0.795 109.658 108.800 0.103 0.000 2.418 211 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.217 211 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.217 211 G C 1.837 176.712 174.900 -0.041 0.000 1.158 211 G CA 0.950 46.067 45.100 0.027 0.000 0.771 211 G HN 0.488 nan 8.290 nan 0.000 0.545 212 A N 0.641 123.459 122.820 -0.003 0.000 2.024 212 A HA -0.019 4.301 4.320 -0.000 0.000 0.220 212 A C 2.378 179.939 177.584 -0.039 0.000 1.164 212 A CA 1.706 53.732 52.037 -0.018 0.000 0.643 212 A CB -0.387 18.618 19.000 0.008 0.000 0.806 212 A HN 0.425 nan 8.150 nan 0.000 0.451 213 M N -0.696 118.880 119.600 -0.040 0.000 2.446 213 M HA -0.041 4.439 4.480 -0.000 0.000 0.263 213 M C 1.463 177.696 176.300 -0.113 0.000 1.066 213 M CA 1.398 56.666 55.300 -0.052 0.000 1.087 213 M CB -0.295 32.295 32.600 -0.017 0.000 1.406 213 M HN 0.722 nan 8.290 nan 0.000 0.459 214 I N -4.755 115.702 120.570 -0.188 0.000 4.102 214 I HA 0.501 4.671 4.170 -0.000 0.000 0.325 214 I C 0.784 176.801 176.117 -0.167 0.000 1.471 214 I CA -0.095 61.066 61.300 -0.230 0.000 1.133 214 I CB 0.162 37.891 38.000 -0.452 0.000 1.184 214 I HN 0.260 nan 8.210 nan 0.000 0.451 215 G N 2.543 111.274 108.800 -0.114 0.000 2.198 215 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 215 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 215 G C 0.037 174.891 174.900 -0.078 0.000 1.025 215 G CA 0.675 45.727 45.100 -0.080 0.000 0.769 215 G HN 0.634 nan 8.290 nan 0.000 0.507 216 M N 0.800 120.343 119.600 -0.095 0.000 2.238 216 M HA 0.711 5.191 4.480 -0.000 0.000 0.350 216 M C 0.438 176.721 176.300 -0.028 0.000 1.138 216 M CA -0.404 54.857 55.300 -0.065 0.000 1.040 216 M CB 1.255 33.800 32.600 -0.092 0.000 1.639 216 M HN 0.648 nan 8.290 nan 0.000 0.451 217 A N 5.338 128.148 122.820 -0.016 0.000 2.302 217 A HA 0.540 4.859 4.320 -0.000 0.000 0.295 217 A C -0.790 176.793 177.584 -0.002 0.000 1.235 217 A CA -0.551 51.476 52.037 -0.016 0.000 0.876 217 A CB 0.014 18.996 19.000 -0.031 0.000 1.133 217 A HN 0.681 nan 8.150 nan 0.000 0.533 218 V N 6.416 126.335 119.914 0.007 0.000 2.311 218 V HA 0.309 4.429 4.120 -0.000 0.000 0.275 218 V C -2.012 174.068 176.094 -0.023 0.000 1.022 218 V CA -1.181 61.134 62.300 0.025 0.000 0.830 218 V CB 1.510 33.375 31.823 0.070 0.000 1.012 218 V HN 0.830 nan 8.190 nan 0.000 0.452 219 P HA 0.289 nan 4.420 nan 0.000 0.225 219 P C -0.909 176.331 177.300 -0.100 0.000 1.813 219 P CA -0.207 62.784 63.100 -0.180 0.000 1.013 219 P CB 0.103 31.499 31.700 -0.507 0.000 1.961 220 L N 0.133 121.336 121.223 -0.033 0.000 2.354 220 L HA 0.830 5.169 4.340 -0.000 0.000 0.264 220 L C -1.027 175.831 176.870 -0.019 0.000 1.008 220 L CA -1.343 53.490 54.840 -0.011 0.000 0.819 220 L CB 1.517 43.578 42.059 0.003 0.000 1.339 220 L HN -0.105 nan 8.230 nan 0.000 0.420 221 L N 2.503 123.708 121.223 -0.031 0.000 2.356 221 L HA 0.798 5.138 4.340 -0.000 0.000 0.277 221 L C -2.609 174.187 176.870 -0.123 0.000 0.996 221 L CA -1.742 53.060 54.840 -0.063 0.000 0.822 221 L CB 1.941 43.963 42.059 -0.061 0.000 1.256 221 L HN 0.484 nan 8.230 nan 0.000 0.413 222 P HA 0.338 nan 4.420 nan 0.000 0.276 222 P C -1.241 175.881 177.300 -0.296 0.000 1.243 222 P CA 0.155 63.098 63.100 -0.261 0.000 0.768 222 P CB 0.628 32.148 31.700 -0.301 0.000 0.856 223 L N 1.907 122.912 121.223 -0.364 0.000 2.409 223 L HA 0.759 5.099 4.340 -0.000 0.000 0.262 223 L C -0.079 176.765 176.870 -0.043 0.000 0.992 223 L CA -1.166 53.515 54.840 -0.266 0.000 0.817 223 L CB 2.320 44.180 42.059 -0.331 0.000 1.350 223 L HN 0.268 nan 8.230 nan 0.000 0.411 224 A N 0.580 123.424 122.820 0.041 0.000 2.295 224 A HA 0.715 5.035 4.320 -0.000 0.000 0.318 224 A C -1.348 176.523 177.584 0.480 0.000 1.134 224 A CA -0.168 52.005 52.037 0.228 0.000 0.827 224 A CB 0.848 19.880 19.000 0.053 0.000 1.136 224 A HN 0.793 nan 8.150 nan 0.000 0.493 225 H N 0.614 119.930 119.070 0.410 0.000 2.865 225 H HA 0.433 4.989 4.556 -0.000 0.000 0.362 225 H C -0.922 174.532 175.328 0.210 0.000 1.114 225 H CA -0.456 55.907 56.048 0.525 0.000 1.208 225 H CB 1.036 31.040 29.762 0.404 0.000 1.727 225 H HN 0.657 nan 8.280 nan 0.000 0.534 226 Q N 3.204 123.106 119.800 0.170 0.000 2.293 226 Q HA 0.232 4.572 4.340 -0.000 0.000 0.251 226 Q C -1.231 174.445 176.000 -0.539 0.000 0.930 226 Q CA -0.482 55.209 55.803 -0.185 0.000 0.893 226 Q CB 1.775 30.573 28.738 0.100 0.000 1.215 226 Q HN 0.616 nan 8.270 nan 0.000 0.425 227 Y N 1.145 120.896 120.300 -0.915 0.000 2.421 227 Y HA 0.471 5.021 4.550 -0.000 0.000 0.339 227 Y C -1.484 173.916 175.900 -0.833 0.000 0.996 227 Y CA -0.737 56.849 58.100 -0.857 0.000 1.046 227 Y CB 1.409 39.311 38.460 -0.930 0.000 1.226 227 Y HN 0.397 nan 8.280 nan 0.000 0.445 228 V N 6.030 125.302 119.914 -1.069 0.000 2.735 228 V HA 0.495 4.615 4.120 -0.000 0.000 0.310 228 V C -0.998 174.720 176.094 -0.626 0.000 1.061 228 V CA -1.174 60.593 62.300 -0.889 0.000 0.913 228 V CB 2.229 33.397 31.823 -1.091 0.000 1.005 228 V HN 0.647 nan 8.190 nan 0.000 0.428 229 K N 2.280 122.453 120.400 -0.378 0.000 2.244 229 K HA 0.553 4.872 4.320 -0.000 0.000 0.260 229 K C 0.017 176.541 176.600 -0.127 0.000 0.951 229 K CA -0.464 55.719 56.287 -0.174 0.000 0.826 229 K CB 2.068 34.494 32.500 -0.123 0.000 1.108 229 K HN 0.917 nan 8.250 nan 0.000 0.433 230 T N -1.004 113.562 114.554 0.021 0.000 2.816 230 T HA 0.127 4.477 4.350 -0.000 0.000 0.282 230 T C 0.887 175.616 174.700 0.049 0.000 0.993 230 T CA -0.713 61.420 62.100 0.054 0.000 0.994 230 T CB 0.723 69.737 68.868 0.243 0.000 1.025 230 T HN 0.630 nan 8.240 nan 0.000 0.529 231 T N -0.843 113.741 114.554 0.049 0.000 2.701 231 T HA 0.330 4.680 4.350 -0.000 0.000 0.303 231 T C -2.611 172.150 174.700 0.102 0.000 1.030 231 T CA -1.384 60.750 62.100 0.057 0.000 1.010 231 T CB -0.804 68.093 68.868 0.048 0.000 1.007 231 T HN 0.477 nan 8.240 nan 0.000 0.532 232 P HA 0.166 nan 4.420 nan 0.000 0.262 232 P C -0.697 176.672 177.300 0.115 0.000 1.182 232 P CA -0.175 62.984 63.100 0.098 0.000 0.761 232 P CB 0.219 31.961 31.700 0.070 0.000 0.795 233 V N 7.987 127.987 119.914 0.143 0.000 2.385 233 V HA 0.095 4.215 4.120 -0.000 0.000 0.269 233 V C -1.234 174.917 176.094 0.095 0.000 1.043 233 V CA -1.210 61.173 62.300 0.139 0.000 0.906 233 V CB 1.040 32.981 31.823 0.197 0.000 0.995 233 V HN 0.541 nan 8.190 nan 0.000 0.467 234 P HA -0.209 nan 4.420 nan 0.000 0.215 234 P C 1.577 178.902 177.300 0.041 0.000 1.157 234 P CA 1.858 64.987 63.100 0.049 0.000 0.874 234 P CB 0.214 31.937 31.700 0.038 0.000 0.790 235 A N -0.634 122.208 122.820 0.037 0.000 2.076 235 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 235 A C 2.036 179.644 177.584 0.039 0.000 1.160 235 A CA 1.434 53.487 52.037 0.027 0.000 0.653 235 A CB -0.908 18.099 19.000 0.012 0.000 0.801 235 A HN 0.184 nan 8.150 nan 0.000 0.455 236 Q N -0.605 119.235 119.800 0.067 0.000 2.360 236 Q HA 0.037 4.377 4.340 -0.000 0.000 0.202 236 Q C 0.519 176.549 176.000 0.050 0.000 0.915 236 Q CA -0.025 55.822 55.803 0.073 0.000 0.943 236 Q CB 0.002 28.819 28.738 0.131 0.000 1.064 236 Q HN 0.846 nan 8.270 nan 0.000 0.511 237 Q N 0.205 120.031 119.800 0.043 0.000 2.262 237 Q HA 0.101 4.441 4.340 -0.000 0.000 0.298 237 Q C 0.564 176.577 176.000 0.022 0.000 1.083 237 Q CA 1.065 56.888 55.803 0.034 0.000 0.962 237 Q CB -0.001 28.755 28.738 0.030 0.000 1.104 237 Q HN 0.532 nan 8.270 nan 0.000 0.376 238 G N 3.921 112.733 108.800 0.020 0.000 2.162 238 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.260 238 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.260 238 G C 0.693 175.597 174.900 0.006 0.000 0.976 238 G CA 0.527 45.634 45.100 0.012 0.000 0.655 238 G HN 0.744 nan 8.290 nan 0.000 0.533 239 R N -0.429 120.075 120.500 0.006 0.000 2.128 239 R HA 0.120 4.460 4.340 -0.000 0.000 0.211 239 R C 0.496 176.789 176.300 -0.012 0.000 1.067 239 R CA 0.792 56.888 56.100 -0.005 0.000 1.010 239 R CB -0.015 30.280 30.300 -0.009 0.000 0.922 239 R HN 0.382 nan 8.270 nan 0.000 0.457 240 N N 0.993 119.687 118.700 -0.009 0.000 2.404 240 N HA 0.124 4.864 4.740 -0.000 0.000 0.297 240 N C -1.104 174.402 175.510 -0.006 0.000 1.163 240 N CA -0.499 52.541 53.050 -0.016 0.000 0.864 240 N CB 0.939 39.409 38.487 -0.027 0.000 1.247 240 N HN -0.101 nan 8.380 nan 0.000 0.510 241 D N 1.328 121.722 120.400 -0.009 0.000 2.458 241 D HA 0.020 4.660 4.640 -0.000 0.000 0.243 241 D C 0.385 176.688 176.300 0.006 0.000 1.146 241 D CA 0.357 54.355 54.000 -0.003 0.000 0.877 241 D CB 0.712 41.508 40.800 -0.007 0.000 1.176 241 D HN 0.143 nan 8.370 nan 0.000 0.461 242 Q N 2.190 121.997 119.800 0.012 0.000 2.260 242 Q HA 0.250 4.590 4.340 -0.000 0.000 0.238 242 Q C -1.337 174.676 176.000 0.021 0.000 0.948 242 Q CA -1.263 54.553 55.803 0.022 0.000 0.895 242 Q CB 0.723 29.474 28.738 0.023 0.000 1.218 242 Q HN 0.343 nan 8.270 nan 0.000 0.470 243 P HA 0.159 nan 4.420 nan 0.000 0.261 243 P C 0.050 177.391 177.300 0.069 0.000 1.268 243 P CA 0.391 63.517 63.100 0.044 0.000 0.833 243 P CB 0.667 32.392 31.700 0.041 0.000 1.231 244 N N -0.330 118.405 118.700 0.059 0.000 2.301 244 N HA 0.218 4.957 4.740 -0.000 0.000 0.247 244 N C 0.405 175.927 175.510 0.020 0.000 1.347 244 N CA -0.081 53.021 53.050 0.087 0.000 0.844 244 N CB 0.465 39.017 38.487 0.109 0.000 1.332 244 N HN -0.035 nan 8.380 nan 0.000 0.494 245 G N -0.134 108.664 108.800 -0.003 0.000 2.606 245 G HA2 0.602 4.562 3.960 -0.000 0.000 0.252 245 G HA3 0.602 4.562 3.960 -0.000 0.000 0.252 245 G C -0.685 174.171 174.900 -0.074 0.000 1.206 245 G CA 0.045 45.123 45.100 -0.037 0.000 0.861 245 G HN 0.274 nan 8.290 nan 0.000 0.561 246 A N 0.738 123.503 122.820 -0.091 0.000 2.547 246 A HA 0.725 5.044 4.320 -0.000 0.000 0.297 246 A C 0.295 177.822 177.584 -0.095 0.000 1.056 246 A CA -0.679 51.288 52.037 -0.116 0.000 0.688 246 A CB 1.582 20.489 19.000 -0.154 0.000 1.282 246 A HN 0.653 nan 8.150 nan 0.000 0.400 247 R N 0.789 121.233 120.500 -0.092 0.000 2.492 247 R HA 0.308 4.648 4.340 -0.000 0.000 0.219 247 R C -0.083 176.171 176.300 -0.077 0.000 0.886 247 R CA 0.048 56.103 56.100 -0.076 0.000 1.003 247 R CB 0.287 30.546 30.300 -0.068 0.000 1.345 247 R HN 0.657 nan 8.270 nan 0.000 0.631 248 L N 3.238 124.399 121.223 -0.104 0.000 2.439 248 L HA 0.319 4.658 4.340 -0.000 0.000 0.261 248 L C -2.034 174.854 176.870 0.030 0.000 1.153 248 L CA -2.149 52.623 54.840 -0.114 0.000 0.808 248 L CB 0.449 42.314 42.059 -0.323 0.000 1.126 248 L HN -0.143 nan 8.230 nan 0.000 0.460 249 P HA 0.034 nan 4.420 nan 0.000 0.268 249 P C -0.408 177.042 177.300 0.249 0.000 1.208 249 P CA -0.141 63.070 63.100 0.185 0.000 0.777 249 P CB 0.292 32.149 31.700 0.260 0.000 0.875 250 I N -0.257 120.380 120.570 0.111 0.000 2.813 250 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 250 I C -0.124 176.192 176.117 0.332 0.000 1.196 250 I CA -0.231 61.151 61.300 0.137 0.000 1.421 250 I CB -0.077 37.827 38.000 -0.161 0.000 1.365 250 I HN 0.095 nan 8.210 nan 0.000 0.591 251 L N 5.841 127.347 121.223 0.470 0.000 2.376 251 L HA 0.552 4.892 4.340 -0.000 0.000 0.275 251 L C -0.563 176.638 176.870 0.551 0.000 0.987 251 L CA -0.351 54.742 54.840 0.422 0.000 0.828 251 L CB 1.509 43.692 42.059 0.206 0.000 1.249 251 L HN 0.666 nan 8.230 nan 0.000 0.409 252 R N 2.282 123.009 120.500 0.378 0.000 2.460 252 R HA 0.417 4.757 4.340 -0.000 0.000 0.303 252 R C -1.103 175.330 176.300 0.221 0.000 0.968 252 R CA -0.738 55.482 56.100 0.200 0.000 0.889 252 R CB 0.884 30.996 30.300 -0.313 0.000 1.123 252 R HN 0.653 nan 8.270 nan 0.000 0.455 253 H N 2.685 121.856 119.070 0.168 0.000 2.336 253 H HA 0.156 4.712 4.556 -0.000 0.000 0.230 253 H C 0.106 175.511 175.328 0.128 0.000 1.426 253 H CA -0.240 55.897 56.048 0.150 0.000 1.359 253 H CB 0.421 30.358 29.762 0.292 0.000 1.555 253 H HN 0.641 nan 8.280 nan 0.000 0.512 254 Q N 0.568 120.402 119.800 0.057 0.000 2.226 254 Q HA -0.118 4.222 4.340 -0.000 0.000 0.204 254 Q C 0.699 176.707 176.000 0.013 0.000 0.975 254 Q CA 1.230 57.017 55.803 -0.027 0.000 0.866 254 Q CB 0.401 28.947 28.738 -0.320 0.000 0.915 254 Q HN 0.562 nan 8.270 nan 0.000 0.440 255 D N 0.398 120.772 120.400 -0.043 0.000 2.263 255 D HA -0.113 4.527 4.640 -0.000 0.000 0.208 255 D C 1.155 177.354 176.300 -0.168 0.000 0.971 255 D CA 1.029 54.990 54.000 -0.065 0.000 0.867 255 D CB 0.180 40.984 40.800 0.006 0.000 0.929 255 D HN 0.194 nan 8.370 nan 0.000 0.492 256 Q N 0.174 119.740 119.800 -0.390 0.000 2.135 256 Q HA 0.060 4.400 4.340 -0.000 0.000 0.222 256 Q C -0.546 175.386 176.000 -0.114 0.000 0.808 256 Q CA -0.120 55.505 55.803 -0.295 0.000 1.049 256 Q CB 1.086 29.541 28.738 -0.473 0.000 1.168 256 Q HN 0.047 nan 8.270 nan 0.000 0.483 257 D N 0.544 120.966 120.400 0.038 0.000 2.800 257 D HA -0.180 4.460 4.640 -0.000 0.000 0.232 257 D C -0.704 175.679 176.300 0.138 0.000 1.137 257 D CA 0.730 54.829 54.000 0.165 0.000 0.718 257 D CB -1.209 39.607 40.800 0.028 0.000 1.084 257 D HN 0.268 nan 8.370 nan 0.000 0.432 258 L N -0.094 121.242 121.223 0.187 0.000 2.354 258 L HA 0.665 5.005 4.340 -0.000 0.000 0.264 258 L C -0.133 176.825 176.870 0.148 0.000 1.008 258 L CA -1.182 53.661 54.840 0.005 0.000 0.819 258 L CB 1.764 43.788 42.059 -0.059 0.000 1.339 258 L HN 0.060 nan 8.230 nan 0.000 0.420 259 Y N -0.398 119.794 120.300 -0.179 0.000 2.615 259 Y HA 0.784 5.334 4.550 -0.000 0.000 0.341 259 Y C -1.698 173.983 175.900 -0.365 0.000 1.089 259 Y CA -1.488 56.575 58.100 -0.061 0.000 1.049 259 Y CB 1.269 39.908 38.460 0.298 0.000 1.296 259 Y HN 0.320 nan 8.280 nan 0.000 0.470 260 Y N 0.363 120.999 120.300 0.560 0.000 2.562 260 Y HA 0.755 5.305 4.550 -0.000 0.000 0.345 260 Y C -0.536 175.611 175.900 0.412 0.000 1.045 260 Y CA -1.320 57.051 58.100 0.451 0.000 1.028 260 Y CB 2.549 41.290 38.460 0.469 0.000 1.297 260 Y HN 0.797 nan 8.280 nan 0.000 0.463 261 R N -0.504 120.257 120.500 0.434 0.000 2.799 261 R HA 0.667 5.007 4.340 -0.000 0.000 0.270 261 R C -1.618 174.552 176.300 -0.217 0.000 1.010 261 R CA -1.215 54.959 56.100 0.123 0.000 0.916 261 R CB 1.869 32.195 30.300 0.044 0.000 1.228 261 R HN 0.577 nan 8.270 nan 0.000 0.469 262 E N 1.039 121.018 120.200 -0.369 0.000 2.313 262 E HA 0.203 4.553 4.350 -0.000 0.000 0.272 262 E C -0.746 175.623 176.600 -0.384 0.000 1.038 262 E CA -0.567 55.541 56.400 -0.486 0.000 0.863 262 E CB 0.886 30.370 29.700 -0.360 0.000 1.060 262 E HN 0.392 nan 8.360 nan 0.000 0.402 263 H N 2.047 121.055 119.070 -0.105 0.000 2.675 263 H HA 0.223 4.779 4.556 -0.000 0.000 0.258 263 H C 0.706 176.025 175.328 -0.016 0.000 1.271 263 H CA 0.258 56.296 56.048 -0.016 0.000 1.462 263 H CB 0.829 30.619 29.762 0.046 0.000 1.467 263 H HN 0.879 nan 8.280 nan 0.000 0.501 264 G N 3.577 112.405 108.800 0.048 0.000 2.591 264 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.298 264 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.298 264 G C 0.755 175.672 174.900 0.029 0.000 1.195 264 G CA 0.705 45.827 45.100 0.036 0.000 0.989 264 G HN 0.603 nan 8.290 nan 0.000 0.551 265 D N 1.209 121.643 120.400 0.057 0.000 2.325 265 D HA 0.233 4.873 4.640 -0.000 0.000 0.225 265 D C 1.144 177.522 176.300 0.131 0.000 1.096 265 D CA 0.232 54.279 54.000 0.078 0.000 0.844 265 D CB 0.015 40.857 40.800 0.070 0.000 0.925 265 D HN 0.667 nan 8.370 nan 0.000 0.513 266 R N -0.813 119.767 120.500 0.133 0.000 2.674 266 R HA 0.507 4.847 4.340 -0.000 0.000 0.266 266 R C -0.950 175.474 176.300 0.208 0.000 1.016 266 R CA -0.766 55.451 56.100 0.195 0.000 1.062 266 R CB 1.015 31.408 30.300 0.155 0.000 1.142 266 R HN -0.014 nan 8.270 nan 0.000 0.517 267 Y N -0.875 119.549 120.300 0.206 0.000 2.409 267 Y HA 0.451 5.001 4.550 -0.000 0.000 0.339 267 Y C 0.623 176.695 175.900 0.287 0.000 1.033 267 Y CA -0.331 57.926 58.100 0.261 0.000 1.094 267 Y CB 2.280 40.892 38.460 0.253 0.000 1.210 267 Y HN 0.688 nan 8.280 nan 0.000 0.456 268 G N 3.866 112.922 108.800 0.427 0.000 2.343 268 G HA2 0.623 4.583 3.960 -0.000 0.000 0.319 268 G HA3 0.623 4.583 3.960 -0.000 0.000 0.319 268 G C -1.240 173.689 174.900 0.049 0.000 1.126 268 G CA -0.573 44.675 45.100 0.248 0.000 0.889 268 G HN 0.566 nan 8.290 nan 0.000 0.457 269 I N 2.005 122.298 120.570 -0.461 0.000 2.439 269 I HA 0.398 4.568 4.170 -0.000 0.000 0.285 269 I C 0.594 176.270 176.117 -0.735 0.000 1.021 269 I CA -0.754 60.350 61.300 -0.327 0.000 1.091 269 I CB 2.233 40.306 38.000 0.122 0.000 1.242 269 I HN 0.540 nan 8.210 nan 0.000 0.439 270 G N 3.189 111.459 108.800 -0.883 0.000 2.332 270 G HA2 0.491 4.451 3.960 -0.000 0.000 0.310 270 G HA3 0.491 4.451 3.960 -0.000 0.000 0.310 270 G C -0.846 173.571 174.900 -0.804 0.000 1.123 270 G CA -0.297 44.159 45.100 -1.074 0.000 0.873 270 G HN 0.466 nan 8.290 nan 0.000 0.460 271 S N 1.353 116.856 115.700 -0.328 0.000 2.561 271 S HA 0.453 4.923 4.470 -0.000 0.000 0.303 271 S C -0.394 174.180 174.600 -0.043 0.000 1.110 271 S CA -0.726 57.415 58.200 -0.097 0.000 1.034 271 S CB 0.707 64.053 63.200 0.243 0.000 1.010 271 S HN 0.530 nan 8.310 nan 0.000 0.482 272 Y N 2.510 122.788 120.300 -0.037 0.000 2.524 272 Y HA 0.390 4.939 4.550 -0.000 0.000 0.266 272 Y C 1.499 177.190 175.900 -0.349 0.000 1.180 272 Y CA -0.283 57.602 58.100 -0.358 0.000 1.244 272 Y CB 0.358 38.363 38.460 -0.758 0.000 1.125 272 Y HN 0.768 nan 8.280 nan 0.000 0.524 273 A N 1.862 124.676 122.820 -0.010 0.000 3.135 273 A HA 0.238 4.558 4.320 -0.000 0.000 0.253 273 A C -0.081 177.599 177.584 0.160 0.000 1.638 273 A CA -0.021 52.039 52.037 0.040 0.000 1.295 273 A CB -1.384 17.634 19.000 0.030 0.000 1.106 273 A HN 0.578 nan 8.150 nan 0.000 0.648 274 H N -1.451 117.761 119.070 0.238 0.000 3.003 274 H HA 0.433 4.989 4.556 -0.000 0.000 0.327 274 H C -0.500 174.992 175.328 0.273 0.000 1.353 274 H CA -1.144 55.038 56.048 0.224 0.000 1.142 274 H CB 0.417 30.309 29.762 0.217 0.000 1.864 274 H HN 0.448 nan 8.280 nan 0.000 0.529 275 R N 0.859 121.580 120.500 0.368 0.000 2.697 275 R HA 0.184 4.524 4.340 -0.000 0.000 0.265 275 R C -2.494 173.965 176.300 0.264 0.000 1.009 275 R CA -1.176 55.071 56.100 0.244 0.000 1.099 275 R CB -0.481 29.897 30.300 0.130 0.000 0.965 275 R HN 0.285 nan 8.270 nan 0.000 0.428 276 P HA -0.040 nan 4.420 nan 0.000 0.266 276 P C -0.636 176.576 177.300 -0.146 0.000 1.195 276 P CA 0.360 63.338 63.100 -0.204 0.000 0.768 276 P CB 0.521 32.144 31.700 -0.128 0.000 0.838 277 M N 3.437 122.893 119.600 -0.241 0.000 2.126 277 M HA 0.278 4.758 4.480 -0.000 0.000 0.217 277 M C -2.523 173.679 176.300 -0.162 0.000 0.873 277 M CA -1.951 53.266 55.300 -0.140 0.000 0.707 277 M CB 1.775 34.320 32.600 -0.092 0.000 1.515 277 M HN 0.072 nan 8.290 nan 0.000 0.369 278 P HA 0.150 nan 4.420 nan 0.000 0.268 278 P C -0.694 176.528 177.300 -0.130 0.000 1.205 278 P CA -0.170 62.844 63.100 -0.142 0.000 0.771 278 P CB 0.867 32.501 31.700 -0.111 0.000 0.858 279 V N 2.675 122.496 119.914 -0.156 0.000 2.540 279 V HA 0.254 4.374 4.120 -0.000 0.000 0.302 279 V C -0.052 175.964 176.094 -0.130 0.000 1.035 279 V CA -0.506 61.699 62.300 -0.158 0.000 0.873 279 V CB 1.917 33.591 31.823 -0.249 0.000 0.992 279 V HN 0.456 nan 8.190 nan 0.000 0.428 280 D N 3.254 123.603 120.400 -0.084 0.000 2.380 280 D HA 0.175 4.815 4.640 -0.000 0.000 0.230 280 D C 1.082 177.363 176.300 -0.031 0.000 1.154 280 D CA -0.269 53.703 54.000 -0.047 0.000 0.859 280 D CB 1.779 42.566 40.800 -0.021 0.000 1.045 280 D HN 0.388 nan 8.370 nan 0.000 0.495 281 V N 1.533 121.431 119.914 -0.026 0.000 2.720 281 V HA -0.138 3.982 4.120 -0.000 0.000 0.256 281 V C 1.188 177.345 176.094 0.105 0.000 1.082 281 V CA 1.340 63.646 62.300 0.009 0.000 1.101 281 V CB -0.273 31.548 31.823 -0.003 0.000 0.693 281 V HN 0.329 nan 8.190 nan 0.000 0.479 282 D N 1.327 121.779 120.400 0.087 0.000 2.371 282 D HA -0.044 4.595 4.640 -0.000 0.000 0.221 282 D C 2.224 178.579 176.300 0.092 0.000 0.986 282 D CA 1.669 55.730 54.000 0.103 0.000 0.899 282 D CB 0.107 40.953 40.800 0.075 0.000 0.902 282 D HN 0.800 nan 8.370 nan 0.000 0.530 283 T N -2.403 112.195 114.554 0.074 0.000 3.086 283 T HA 0.128 4.478 4.350 -0.000 0.000 0.250 283 T C 2.024 176.785 174.700 0.101 0.000 1.074 283 T CA -0.121 62.020 62.100 0.069 0.000 0.988 283 T CB -0.175 68.716 68.868 0.038 0.000 0.988 283 T HN 0.061 nan 8.240 nan 0.000 0.530 284 L N 1.135 122.447 121.223 0.149 0.000 2.201 284 L HA 0.274 4.614 4.340 -0.000 0.000 0.212 284 L C 1.586 178.624 176.870 0.280 0.000 1.105 284 L CA 0.756 55.730 54.840 0.225 0.000 0.775 284 L CB -1.201 41.026 42.059 0.281 0.000 0.913 284 L HN 0.685 nan 8.230 nan 0.000 0.440 285 G N -0.285 108.648 108.800 0.220 0.000 2.721 285 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.686 285 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.686 285 G C -0.343 174.708 174.900 0.252 0.000 1.236 285 G CA -0.605 44.593 45.100 0.163 0.000 0.786 285 G HN 0.403 nan 8.290 nan 0.000 0.616 286 A N 1.653 124.574 122.820 0.169 0.000 2.347 286 A HA 0.634 4.954 4.320 -0.000 0.000 0.287 286 A C -0.149 177.554 177.584 0.199 0.000 1.199 286 A CA -0.167 51.989 52.037 0.198 0.000 0.851 286 A CB 0.101 19.170 19.000 0.116 0.000 1.118 286 A HN 1.065 nan 8.150 nan 0.000 0.525 287 Y N 1.689 122.030 120.300 0.068 0.000 2.359 287 Y HA 0.383 4.933 4.550 -0.000 0.000 0.334 287 Y C 1.065 176.998 175.900 0.056 0.000 1.058 287 Y CA -0.075 58.065 58.100 0.066 0.000 1.244 287 Y CB 0.887 39.369 38.460 0.037 0.000 1.187 287 Y HN 0.806 nan 8.280 nan 0.000 0.510 288 A N 7.499 130.414 122.820 0.158 0.000 2.524 288 A HA 0.160 4.479 4.320 -0.000 0.000 0.250 288 A C -1.358 176.311 177.584 0.142 0.000 1.078 288 A CA -1.095 51.010 52.037 0.113 0.000 0.761 288 A CB -0.013 19.030 19.000 0.073 0.000 1.012 288 A HN 0.612 nan 8.150 nan 0.000 0.500 289 P HA -0.238 nan 4.420 nan 0.000 0.216 289 P C 1.160 178.509 177.300 0.081 0.000 1.150 289 P CA 1.629 64.777 63.100 0.080 0.000 0.843 289 P CB 0.063 31.787 31.700 0.041 0.000 0.787 290 E N 0.459 120.701 120.200 0.070 0.000 2.333 290 E HA -0.141 4.209 4.350 -0.000 0.000 0.198 290 E C 1.326 177.975 176.600 0.082 0.000 1.007 290 E CA 1.865 58.301 56.400 0.059 0.000 0.845 290 E CB -1.451 28.273 29.700 0.040 0.000 0.766 290 E HN 0.349 nan 8.360 nan 0.000 0.507 291 T N -1.464 113.168 114.554 0.131 0.000 3.081 291 T HA 0.193 4.543 4.350 -0.000 0.000 0.250 291 T C 0.891 175.784 174.700 0.322 0.000 1.100 291 T CA -0.224 61.986 62.100 0.183 0.000 1.038 291 T CB -0.015 68.977 68.868 0.207 0.000 0.962 291 T HN -0.053 nan 8.240 nan 0.000 0.516 292 V N 3.603 123.671 119.914 0.257 0.000 2.521 292 V HA 0.521 4.641 4.120 -0.000 0.000 0.286 292 V C 0.502 176.681 176.094 0.143 0.000 1.034 292 V CA -0.010 62.424 62.300 0.224 0.000 1.045 292 V CB 0.279 32.165 31.823 0.106 0.000 0.974 292 V HN 0.818 nan 8.190 nan 0.000 0.480 293 S N 2.471 118.260 115.700 0.148 0.000 2.705 293 S HA 0.404 4.874 4.470 -0.000 0.000 0.280 293 S C 0.788 175.385 174.600 -0.005 0.000 1.174 293 S CA -0.238 58.004 58.200 0.069 0.000 0.823 293 S CB 1.622 64.877 63.200 0.092 0.000 1.162 293 S HN 0.665 nan 8.310 nan 0.000 0.487 294 E N 0.272 120.409 120.200 -0.105 0.000 2.097 294 E HA -0.253 4.096 4.350 -0.000 0.000 0.196 294 E C 0.801 177.149 176.600 -0.420 0.000 1.000 294 E CA 1.729 57.945 56.400 -0.307 0.000 0.804 294 E CB -0.254 29.168 29.700 -0.462 0.000 0.740 294 E HN 0.723 nan 8.360 nan 0.000 0.454 295 H N -1.988 117.075 119.070 -0.012 0.000 2.586 295 H HA 0.112 4.668 4.556 -0.000 0.000 0.273 295 H C 0.001 175.383 175.328 0.091 0.000 0.997 295 H CA 0.308 56.344 56.048 -0.020 0.000 1.177 295 H CB 0.336 30.095 29.762 -0.005 0.000 1.471 295 H HN 0.189 nan 8.280 nan 0.000 0.538 296 H N 1.503 120.626 119.070 0.088 0.000 2.761 296 H HA 0.336 4.892 4.556 -0.000 0.000 0.263 296 H C -0.744 174.696 175.328 0.187 0.000 1.292 296 H CA -0.320 55.838 56.048 0.183 0.000 1.540 296 H CB 0.325 30.201 29.762 0.191 0.000 1.569 296 H HN 0.199 nan 8.280 nan 0.000 0.510 297 M N 2.005 121.517 119.600 -0.147 0.000 2.569 297 M HA 0.426 4.906 4.480 -0.000 0.000 0.279 297 M C -2.714 173.216 176.300 -0.616 0.000 1.253 297 M CA -2.062 52.996 55.300 -0.403 0.000 0.867 297 M CB 2.523 35.023 32.600 -0.165 0.000 1.727 297 M HN -0.117 nan 8.290 nan 0.000 0.467 298 P HA -0.146 nan 4.420 nan 0.000 0.217 298 P C 1.352 178.684 177.300 0.053 0.000 1.148 298 P CA 2.178 65.028 63.100 -0.418 0.000 0.828 298 P CB -0.042 31.687 31.700 0.049 0.000 0.783 299 S N -1.870 113.937 115.700 0.180 0.000 2.522 299 S HA 0.024 4.493 4.470 -0.000 0.000 0.227 299 S C 0.915 175.618 174.600 0.171 0.000 0.986 299 S CA 0.104 58.502 58.200 0.331 0.000 0.929 299 S CB -0.504 63.044 63.200 0.580 0.000 0.769 299 S HN 0.068 nan 8.310 nan 0.000 0.529 300 R N 0.915 121.445 120.500 0.050 0.000 2.265 300 R HA 0.581 4.920 4.340 -0.000 0.000 0.328 300 R C -0.993 175.355 176.300 0.081 0.000 0.969 300 R CA -0.386 55.723 56.100 0.015 0.000 0.832 300 R CB 1.275 31.465 30.300 -0.183 0.000 1.139 300 R HN 0.284 nan 8.270 nan 0.000 0.457 301 L N 1.739 123.031 121.223 0.117 0.000 2.375 301 L HA 0.286 4.626 4.340 -0.000 0.000 0.268 301 L C 0.180 177.136 176.870 0.143 0.000 1.058 301 L CA -1.044 53.857 54.840 0.103 0.000 0.803 301 L CB 1.011 43.101 42.059 0.051 0.000 1.212 301 L HN 0.402 nan 8.230 nan 0.000 0.451 302 D N 1.083 121.554 120.400 0.118 0.000 2.571 302 D HA -0.083 4.557 4.640 -0.000 0.000 0.231 302 D C -0.303 176.091 176.300 0.157 0.000 1.133 302 D CA 0.455 54.534 54.000 0.131 0.000 0.862 302 D CB 0.364 41.212 40.800 0.080 0.000 1.179 302 D HN 0.104 nan 8.370 nan 0.000 0.474 303 F N 2.189 122.141 119.950 0.003 0.000 2.529 303 F HA 0.104 4.631 4.527 -0.000 0.000 0.365 303 F C 0.812 176.576 175.800 -0.061 0.000 1.102 303 F CA -0.706 57.262 58.000 -0.053 0.000 1.271 303 F CB 0.446 39.400 39.000 -0.076 0.000 1.120 303 F HN 0.107 nan 8.300 nan 0.000 0.579 304 T N 6.227 120.422 114.554 -0.598 0.000 3.042 304 T HA 0.244 4.594 4.350 -0.000 0.000 0.356 304 T C 1.017 175.185 174.700 -0.887 0.000 1.233 304 T CA -0.693 61.068 62.100 -0.565 0.000 1.038 304 T CB 0.446 69.137 68.868 -0.295 0.000 1.089 304 T HN 0.703 nan 8.240 nan 0.000 0.531 305 L N 2.633 123.296 121.223 -0.932 0.000 2.081 305 L HA -0.019 4.321 4.340 -0.000 0.000 0.212 305 L C 2.634 179.343 176.870 -0.270 0.000 1.080 305 L CA 2.746 57.166 54.840 -0.700 0.000 0.754 305 L CB -0.925 40.969 42.059 -0.275 0.000 0.893 305 L HN 0.770 nan 8.230 nan 0.000 0.433 306 E N -0.895 119.183 120.200 -0.202 0.000 2.153 306 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 306 E C 1.859 178.431 176.600 -0.048 0.000 0.988 306 E CA 1.572 57.921 56.400 -0.085 0.000 0.811 306 E CB -0.948 28.709 29.700 -0.072 0.000 0.746 306 E HN 0.712 nan 8.360 nan 0.000 0.466 307 D N -1.455 118.892 120.400 -0.088 0.000 2.312 307 D HA -0.019 4.621 4.640 -0.000 0.000 0.211 307 D C 1.341 177.705 176.300 0.107 0.000 0.964 307 D CA 0.659 54.657 54.000 -0.005 0.000 0.877 307 D CB -0.036 40.714 40.800 -0.084 0.000 0.924 307 D HN 0.492 nan 8.370 nan 0.000 0.515 308 F N 1.037 120.945 119.950 -0.071 0.000 2.714 308 F HA 0.159 4.686 4.527 -0.000 0.000 0.294 308 F C 1.923 177.801 175.800 0.129 0.000 1.120 308 F CA 0.039 58.075 58.000 0.061 0.000 1.398 308 F CB 0.024 39.096 39.000 0.120 0.000 1.120 308 F HN -0.205 nan 8.300 nan 0.000 0.589 309 L N 1.017 122.273 121.223 0.056 0.000 2.013 309 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 309 L C -0.387 176.479 176.870 -0.006 0.000 1.073 309 L CA 1.556 56.432 54.840 0.060 0.000 0.753 309 L CB -2.263 39.844 42.059 0.080 0.000 0.890 309 L HN 0.096 nan 8.230 nan 0.000 0.432 310 P HA -0.149 nan 4.420 nan 0.000 0.217 310 P C 1.480 178.718 177.300 -0.104 0.000 1.150 310 P CA 1.714 64.790 63.100 -0.040 0.000 0.832 310 P CB -0.012 31.680 31.700 -0.013 0.000 0.787 311 A N -1.001 121.684 122.820 -0.225 0.000 1.933 311 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 311 A C 2.230 179.628 177.584 -0.311 0.000 1.175 311 A CA 1.140 52.993 52.037 -0.308 0.000 0.628 311 A CB -1.913 16.802 19.000 -0.475 0.000 0.814 311 A HN 0.313 nan 8.150 nan 0.000 0.444 312 W N 0.829 121.707 121.300 -0.703 0.000 2.358 312 W HA -0.153 4.506 4.660 -0.000 0.000 0.303 312 W C 1.731 178.175 176.519 -0.125 0.000 1.208 312 W CA 1.585 58.716 57.345 -0.357 0.000 1.274 312 W CB 0.024 29.368 29.460 -0.193 0.000 1.138 312 W HN 0.362 nan 8.180 nan 0.000 0.515 313 E N 0.652 120.776 120.200 -0.126 0.000 2.051 313 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 313 E C 2.301 178.805 176.600 -0.161 0.000 0.991 313 E CA 1.639 57.932 56.400 -0.179 0.000 0.799 313 E CB -1.030 28.627 29.700 -0.071 0.000 0.748 313 E HN 0.326 nan 8.360 nan 0.000 0.449 314 A N 0.705 123.474 122.820 -0.085 0.000 1.933 314 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 314 A C 2.469 180.060 177.584 0.011 0.000 1.175 314 A CA 2.100 54.132 52.037 -0.009 0.000 0.628 314 A CB -0.911 18.106 19.000 0.029 0.000 0.814 314 A HN 0.254 nan 8.150 nan 0.000 0.444 315 T N 0.083 114.628 114.554 -0.016 0.000 2.708 315 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 315 T C 1.888 176.432 174.700 -0.260 0.000 1.037 315 T CA 1.806 63.895 62.100 -0.020 0.000 1.146 315 T CB -0.227 68.697 68.868 0.092 0.000 0.865 315 T HN 0.572 nan 8.240 nan 0.000 0.435 316 K N 0.859 121.003 120.400 -0.427 0.000 2.209 316 K HA -0.063 4.257 4.320 -0.000 0.000 0.204 316 K C 2.584 179.027 176.600 -0.262 0.000 1.048 316 K CA 0.973 57.001 56.287 -0.432 0.000 0.940 316 K CB -0.080 32.093 32.500 -0.545 0.000 0.729 316 K HN 0.456 nan 8.250 nan 0.000 0.451 317 Q N 0.409 120.095 119.800 -0.190 0.000 2.083 317 Q HA -0.121 4.219 4.340 -0.000 0.000 0.198 317 Q C 2.184 178.103 176.000 -0.136 0.000 0.969 317 Q CA 0.917 56.644 55.803 -0.126 0.000 0.838 317 Q CB -0.062 28.635 28.738 -0.067 0.000 0.900 317 Q HN 0.202 nan 8.270 nan 0.000 0.436 318 L N -0.029 121.099 121.223 -0.159 0.000 2.072 318 L HA -0.020 4.319 4.340 -0.000 0.000 0.205 318 L C 0.597 177.304 176.870 -0.272 0.000 1.079 318 L CA 1.462 56.154 54.840 -0.248 0.000 0.752 318 L CB 0.291 42.135 42.059 -0.359 0.000 0.906 318 L HN 0.050 nan 8.230 nan 0.000 0.436 319 L N 0.179 121.220 121.223 -0.302 0.000 2.495 319 L HA 0.288 4.628 4.340 -0.000 0.000 0.248 319 L C -1.735 174.976 176.870 -0.265 0.000 1.229 319 L CA -1.260 53.394 54.840 -0.311 0.000 0.942 319 L CB 0.924 42.694 42.059 -0.482 0.000 1.242 319 L HN -0.072 nan 8.230 nan 0.000 0.484 320 P HA -0.214 nan 4.420 nan 0.000 0.217 320 P C 1.626 178.838 177.300 -0.147 0.000 1.148 320 P CA 1.186 64.188 63.100 -0.164 0.000 0.828 320 P CB 0.352 31.983 31.700 -0.115 0.000 0.783 321 A N -0.874 121.865 122.820 -0.134 0.000 2.032 321 A HA -0.188 4.132 4.320 -0.000 0.000 0.221 321 A C 1.891 179.416 177.584 -0.099 0.000 1.165 321 A CA 1.513 53.492 52.037 -0.097 0.000 0.645 321 A CB -1.551 17.401 19.000 -0.079 0.000 0.807 321 A HN 0.126 nan 8.150 nan 0.000 0.453 322 L N -0.862 120.255 121.223 -0.176 0.000 2.376 322 L HA 0.034 4.374 4.340 -0.000 0.000 0.219 322 L C 2.725 179.521 176.870 -0.123 0.000 1.133 322 L CA 1.240 55.998 54.840 -0.137 0.000 0.816 322 L CB -0.627 41.296 42.059 -0.227 0.000 0.933 322 L HN 0.375 nan 8.230 nan 0.000 0.449 323 A N -1.037 121.675 122.820 -0.180 0.000 2.067 323 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 323 A C 1.509 179.101 177.584 0.014 0.000 1.158 323 A CA 1.364 53.322 52.037 -0.132 0.000 0.661 323 A CB -0.353 18.560 19.000 -0.145 0.000 0.801 323 A HN 0.325 nan 8.150 nan 0.000 0.452 324 D N -0.020 120.395 120.400 0.024 0.000 2.336 324 D HA 0.107 4.747 4.640 -0.000 0.000 0.228 324 D C 0.654 177.019 176.300 0.108 0.000 1.120 324 D CA 0.777 54.812 54.000 0.059 0.000 0.839 324 D CB 0.137 40.956 40.800 0.032 0.000 0.932 324 D HN 0.533 nan 8.370 nan 0.000 0.509 325 S N -1.134 114.675 115.700 0.181 0.000 2.751 325 S HA 0.667 5.136 4.470 -0.000 0.000 0.310 325 S C -0.133 174.666 174.600 0.332 0.000 1.128 325 S CA -0.824 57.514 58.200 0.230 0.000 0.931 325 S CB 2.776 66.126 63.200 0.250 0.000 1.177 325 S HN -0.098 nan 8.310 nan 0.000 0.530 326 E N -0.416 119.909 120.200 0.209 0.000 2.393 326 E HA 0.482 4.832 4.350 -0.000 0.000 0.265 326 E C -0.999 175.506 176.600 -0.159 0.000 0.941 326 E CA -0.965 55.487 56.400 0.087 0.000 0.801 326 E CB 1.723 31.444 29.700 0.035 0.000 1.313 326 E HN 0.559 nan 8.360 nan 0.000 0.435 327 I N 1.975 122.293 120.570 -0.421 0.000 2.517 327 I HA -0.050 4.120 4.170 -0.000 0.000 0.285 327 I C 1.383 177.349 176.117 -0.251 0.000 1.106 327 I CA 0.723 61.748 61.300 -0.458 0.000 1.402 327 I CB 0.424 38.112 38.000 -0.520 0.000 1.399 327 I HN 0.681 nan 8.210 nan 0.000 0.535 328 E N 3.957 124.027 120.200 -0.217 0.000 2.065 328 E HA -0.026 4.324 4.350 -0.000 0.000 0.191 328 E C -0.107 176.378 176.600 -0.191 0.000 0.960 328 E CA 0.507 56.818 56.400 -0.150 0.000 0.824 328 E CB 0.546 30.191 29.700 -0.092 0.000 0.793 328 E HN 0.638 nan 8.360 nan 0.000 0.459 329 D N -1.112 119.133 120.400 -0.258 0.000 2.857 329 D HA 0.484 5.124 4.640 -0.000 0.000 0.227 329 D C -1.159 174.817 176.300 -0.540 0.000 1.192 329 D CA -0.360 53.463 54.000 -0.295 0.000 0.857 329 D CB 1.968 42.678 40.800 -0.150 0.000 1.645 329 D HN 0.228 nan 8.370 nan 0.000 0.482 330 G N 0.466 108.766 108.800 -0.832 0.000 2.642 330 G HA2 0.752 4.712 3.960 -0.000 0.000 0.293 330 G HA3 0.752 4.712 3.960 -0.000 0.000 0.293 330 G C -1.426 173.112 174.900 -0.602 0.000 1.341 330 G CA -0.843 43.422 45.100 -1.390 0.000 0.916 330 G HN 0.403 nan 8.290 nan 0.000 0.474 331 F N -1.673 118.016 119.950 -0.435 0.000 2.662 331 F HA 0.684 5.211 4.527 -0.000 0.000 0.312 331 F C -1.304 174.508 175.800 0.019 0.000 1.113 331 F CA -1.776 56.180 58.000 -0.073 0.000 0.951 331 F CB 1.434 40.385 39.000 -0.081 0.000 1.344 331 F HN 0.227 nan 8.300 nan 0.000 0.462 332 N N 0.788 119.592 118.700 0.173 0.000 2.485 332 N HA 0.507 5.247 4.740 -0.000 0.000 0.243 332 N C -0.352 175.224 175.510 0.110 0.000 0.987 332 N CA -0.356 52.715 53.050 0.035 0.000 0.940 332 N CB 1.601 40.105 38.487 0.028 0.000 1.122 332 N HN 1.071 nan 8.380 nan 0.000 0.509 333 G N 1.541 110.350 108.800 0.014 0.000 2.343 333 G HA2 0.541 4.501 3.960 -0.000 0.000 0.319 333 G HA3 0.541 4.501 3.960 -0.000 0.000 0.319 333 G C -0.001 175.046 174.900 0.246 0.000 1.126 333 G CA -0.522 44.603 45.100 0.042 0.000 0.889 333 G HN 0.495 nan 8.290 nan 0.000 0.457 334 I N 2.037 122.747 120.570 0.234 0.000 2.428 334 I HA 0.455 4.624 4.170 -0.000 0.000 0.289 334 I C 0.277 176.616 176.117 0.370 0.000 1.019 334 I CA -0.276 61.041 61.300 0.028 0.000 1.351 334 I CB 0.745 38.294 38.000 -0.753 0.000 1.412 334 I HN 0.618 nan 8.210 nan 0.000 0.513 335 F N 2.048 122.031 119.950 0.054 0.000 2.980 335 F HA 0.745 5.272 4.527 -0.000 0.000 0.335 335 F C -0.731 175.111 175.800 0.070 0.000 1.210 335 F CA -0.943 57.152 58.000 0.158 0.000 0.986 335 F CB 1.204 40.309 39.000 0.175 0.000 1.469 335 F HN 0.195 nan 8.300 nan 0.000 0.519 336 S N 0.218 115.664 115.700 -0.422 0.000 2.503 336 S HA 0.680 5.150 4.470 -0.000 0.000 0.301 336 S C -1.626 172.635 174.600 -0.566 0.000 1.087 336 S CA -0.420 57.538 58.200 -0.402 0.000 1.042 336 S CB 1.650 64.763 63.200 -0.145 0.000 1.043 336 S HN 0.492 nan 8.310 nan 0.000 0.489 337 F N 1.245 120.961 119.950 -0.390 0.000 2.577 337 F HA 0.634 5.161 4.527 -0.000 0.000 0.318 337 F C 0.577 176.332 175.800 -0.075 0.000 1.065 337 F CA -0.296 57.595 58.000 -0.181 0.000 0.929 337 F CB 2.228 41.161 39.000 -0.111 0.000 1.237 337 F HN 0.643 nan 8.300 nan 0.000 0.468 338 T N -0.371 114.346 114.554 0.272 0.000 2.926 338 T HA 0.440 4.790 4.350 -0.000 0.000 0.289 338 T C -2.508 172.361 174.700 0.282 0.000 1.054 338 T CA -2.191 60.032 62.100 0.204 0.000 1.015 338 T CB 2.068 71.053 68.868 0.194 0.000 1.167 338 T HN 0.207 nan 8.240 nan 0.000 0.526 339 P HA -0.001 nan 4.420 nan 0.000 0.221 339 P C 0.459 177.953 177.300 0.324 0.000 1.145 339 P CA 1.144 64.389 63.100 0.241 0.000 0.795 339 P CB -0.027 31.869 31.700 0.327 0.000 0.775 340 D N -3.935 116.703 120.400 0.396 0.000 2.540 340 D HA 0.200 4.840 4.640 -0.000 0.000 0.229 340 D C 1.284 177.760 176.300 0.294 0.000 1.250 340 D CA 0.038 54.229 54.000 0.319 0.000 0.817 340 D CB -0.680 40.291 40.800 0.286 0.000 1.060 340 D HN 0.105 nan 8.370 nan 0.000 0.508 341 G N -0.317 108.694 108.800 0.351 0.000 2.189 341 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.267 341 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.267 341 G C 0.707 175.741 174.900 0.222 0.000 0.975 341 G CA 0.202 45.496 45.100 0.325 0.000 0.644 341 G HN 0.825 nan 8.290 nan 0.000 0.537 342 G N 0.471 109.396 108.800 0.207 0.000 2.507 342 G HA2 0.676 4.636 3.960 -0.000 0.000 0.271 342 G HA3 0.676 4.636 3.960 -0.000 0.000 0.271 342 G C -1.282 173.714 174.900 0.161 0.000 1.189 342 G CA -0.350 44.845 45.100 0.159 0.000 0.859 342 G HN 0.319 nan 8.290 nan 0.000 0.542 343 P HA 0.293 nan 4.420 nan 0.000 0.286 343 P C -0.700 176.698 177.300 0.163 0.000 1.293 343 P CA -0.412 62.766 63.100 0.130 0.000 0.770 343 P CB 1.139 32.922 31.700 0.138 0.000 1.206 344 L N 0.178 121.488 121.223 0.145 0.000 2.427 344 L HA 0.470 4.809 4.340 -0.000 0.000 0.264 344 L C -0.174 176.782 176.870 0.143 0.000 0.989 344 L CA -0.309 54.635 54.840 0.173 0.000 0.865 344 L CB 0.860 43.020 42.059 0.168 0.000 1.209 344 L HN 0.183 nan 8.230 nan 0.000 0.430 345 L N 2.400 123.711 121.223 0.146 0.000 2.354 345 L HA 0.983 5.323 4.340 -0.000 0.000 0.264 345 L C 0.438 177.403 176.870 0.158 0.000 1.008 345 L CA -0.702 54.218 54.840 0.133 0.000 0.819 345 L CB 2.105 44.234 42.059 0.117 0.000 1.339 345 L HN 0.729 nan 8.230 nan 0.000 0.420 346 G N 1.287 110.207 108.800 0.200 0.000 2.353 346 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.615 346 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.615 346 G C -1.335 173.693 174.900 0.213 0.000 1.280 346 G CA -0.775 44.472 45.100 0.245 0.000 1.000 346 G HN 0.660 nan 8.290 nan 0.000 0.516 347 E N 0.130 120.339 120.200 0.015 0.000 2.338 347 E HA 0.498 4.848 4.350 -0.000 0.000 0.272 347 E C 1.227 177.763 176.600 -0.107 0.000 1.029 347 E CA 0.223 56.392 56.400 -0.385 0.000 0.872 347 E CB 0.584 29.971 29.700 -0.521 0.000 1.015 347 E HN 0.929 nan 8.360 nan 0.000 0.417 348 S N 3.548 119.223 115.700 -0.042 0.000 2.573 348 S HA 0.029 4.499 4.470 -0.000 0.000 0.277 348 S C 0.804 175.399 174.600 -0.008 0.000 1.346 348 S CA -0.241 57.984 58.200 0.042 0.000 1.034 348 S CB 1.251 64.511 63.200 0.100 0.000 0.879 348 S HN 0.602 nan 8.310 nan 0.000 0.528 349 K N 1.377 121.781 120.400 0.006 0.000 2.148 349 K HA -0.083 4.237 4.320 -0.000 0.000 0.204 349 K C 1.739 178.325 176.600 -0.023 0.000 1.050 349 K CA 1.585 57.868 56.287 -0.007 0.000 0.942 349 K CB -0.158 32.348 32.500 0.009 0.000 0.724 349 K HN 0.654 nan 8.250 nan 0.000 0.446 350 E N 0.103 120.282 120.200 -0.035 0.000 2.170 350 E HA 0.011 4.360 4.350 -0.000 0.000 0.191 350 E C -0.270 176.300 176.600 -0.051 0.000 0.981 350 E CA 0.446 56.814 56.400 -0.053 0.000 0.830 350 E CB 0.300 29.948 29.700 -0.087 0.000 0.775 350 E HN -0.025 nan 8.360 nan 0.000 0.470 351 L N 1.139 122.337 121.223 -0.042 0.000 2.482 351 L HA 0.315 4.655 4.340 -0.000 0.000 0.269 351 L C -1.694 175.197 176.870 0.035 0.000 0.967 351 L CA -0.693 54.140 54.840 -0.013 0.000 0.851 351 L CB 1.714 43.733 42.059 -0.066 0.000 1.242 351 L HN -0.233 nan 8.230 nan 0.000 0.404 352 D N 3.790 124.221 120.400 0.052 0.000 2.455 352 D HA 0.461 5.101 4.640 -0.000 0.000 0.241 352 D C 1.198 177.552 176.300 0.090 0.000 1.138 352 D CA 1.467 55.509 54.000 0.070 0.000 0.877 352 D CB 1.185 42.068 40.800 0.137 0.000 1.187 352 D HN 0.924 nan 8.370 nan 0.000 0.451 353 G N 1.611 110.447 108.800 0.059 0.000 2.179 353 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.260 353 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.260 353 G C 0.148 175.191 174.900 0.238 0.000 0.977 353 G CA -0.047 45.169 45.100 0.194 0.000 0.641 353 G HN 0.471 nan 8.290 nan 0.000 0.533 354 F N 1.425 121.341 119.950 -0.056 0.000 2.411 354 F HA 0.746 5.273 4.527 -0.000 0.000 0.352 354 F C -0.144 175.610 175.800 -0.078 0.000 1.123 354 F CA -1.219 56.796 58.000 0.026 0.000 1.044 354 F CB 0.757 39.760 39.000 0.005 0.000 1.135 354 F HN 0.041 nan 8.300 nan 0.000 0.461 355 Y N 4.094 124.252 120.300 -0.238 0.000 2.562 355 Y HA 0.638 5.188 4.550 -0.000 0.000 0.343 355 Y C -0.493 175.306 175.900 -0.168 0.000 1.025 355 Y CA -1.277 56.776 58.100 -0.079 0.000 1.082 355 Y CB 1.855 40.276 38.460 -0.066 0.000 1.264 355 Y HN 0.454 nan 8.280 nan 0.000 0.478 356 V N -0.734 119.284 119.914 0.173 0.000 2.715 356 V HA 1.005 5.125 4.120 -0.000 0.000 0.310 356 V C -0.678 175.472 176.094 0.093 0.000 1.054 356 V CA -1.093 61.275 62.300 0.112 0.000 0.928 356 V CB 1.447 33.368 31.823 0.164 0.000 1.007 356 V HN 0.976 nan 8.190 nan 0.000 0.437 357 A N 2.857 125.707 122.820 0.050 0.000 3.007 357 A HA 0.776 5.096 4.320 -0.000 0.000 0.314 357 A C -0.502 177.104 177.584 0.036 0.000 1.153 357 A CA -0.379 51.679 52.037 0.034 0.000 0.780 357 A CB 0.303 19.298 19.000 -0.010 0.000 1.258 357 A HN 0.957 nan 8.150 nan 0.000 0.460 358 E N 0.259 120.494 120.200 0.057 0.000 2.408 358 E HA 0.687 5.037 4.350 -0.000 0.000 0.275 358 E C -0.116 176.509 176.600 0.041 0.000 0.935 358 E CA -0.581 55.851 56.400 0.053 0.000 0.775 358 E CB 2.086 31.829 29.700 0.072 0.000 1.277 358 E HN 1.809 nan 8.360 nan 0.000 0.455 359 A N 0.475 123.299 122.820 0.007 0.000 2.734 359 A HA -0.119 4.201 4.320 -0.000 0.000 0.294 359 A C -0.757 176.770 177.584 -0.095 0.000 1.455 359 A CA 0.309 52.304 52.037 -0.071 0.000 0.730 359 A CB -1.933 17.032 19.000 -0.058 0.000 1.077 359 A HN 0.182 nan 8.150 nan 0.000 0.448 360 V N 0.788 120.667 119.914 -0.059 0.000 2.444 360 V HA 0.514 4.634 4.120 -0.000 0.000 0.294 360 V C 0.496 176.629 176.094 0.064 0.000 1.022 360 V CA -0.779 61.549 62.300 0.047 0.000 0.850 360 V CB 1.304 33.176 31.823 0.081 0.000 0.992 360 V HN 0.614 nan 8.190 nan 0.000 0.426 361 W N 3.051 124.478 121.300 0.211 0.000 2.170 361 W HA 0.233 4.893 4.660 -0.000 0.000 0.342 361 W C 1.543 178.108 176.519 0.076 0.000 1.294 361 W CA -0.033 57.400 57.345 0.147 0.000 1.246 361 W CB 0.369 29.899 29.460 0.115 0.000 1.156 361 W HN 0.361 nan 8.180 nan 0.000 0.572 362 V N 1.940 122.042 119.914 0.314 0.000 2.380 362 V HA -0.352 3.768 4.120 -0.000 0.000 0.251 362 V C 2.036 178.197 176.094 0.112 0.000 1.063 362 V CA 2.526 64.931 62.300 0.174 0.000 1.055 362 V CB -1.130 30.781 31.823 0.147 0.000 0.657 362 V HN 0.826 nan 8.190 nan 0.000 0.455 363 T N -1.048 113.535 114.554 0.049 0.000 2.721 363 T HA -0.262 4.088 4.350 -0.000 0.000 0.268 363 T C 1.379 175.971 174.700 -0.180 0.000 1.038 363 T CA 2.192 64.198 62.100 -0.158 0.000 1.145 363 T CB -0.352 68.263 68.868 -0.420 0.000 0.858 363 T HN 0.756 nan 8.240 nan 0.000 0.459 364 H N -0.264 118.947 119.070 0.235 0.000 2.652 364 H HA 0.259 4.815 4.556 -0.000 0.000 0.274 364 H C 2.311 177.690 175.328 0.086 0.000 1.021 364 H CA 0.328 56.511 56.048 0.225 0.000 1.187 364 H CB 0.318 30.282 29.762 0.337 0.000 1.505 364 H HN 0.323 nan 8.280 nan 0.000 0.530 365 S N 0.725 116.514 115.700 0.147 0.000 2.359 365 S HA -0.214 4.255 4.470 -0.000 0.000 0.224 365 S C 2.381 176.990 174.600 0.015 0.000 1.035 365 S CA 0.927 59.168 58.200 0.068 0.000 1.018 365 S CB -0.391 62.848 63.200 0.065 0.000 0.876 365 S HN 0.428 nan 8.310 nan 0.000 0.448 366 A N 1.780 124.630 122.820 0.050 0.000 1.969 366 A HA 0.304 4.623 4.320 -0.000 0.000 0.218 366 A C 2.340 180.037 177.584 0.188 0.000 1.169 366 A CA 1.348 53.447 52.037 0.104 0.000 0.635 366 A CB -1.588 17.423 19.000 0.018 0.000 0.810 366 A HN 0.641 nan 8.150 nan 0.000 0.445 367 G N -0.510 108.356 108.800 0.110 0.000 2.402 367 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.216 367 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.216 367 G C 1.502 175.880 174.900 -0.870 0.000 1.162 367 G CA 1.151 46.157 45.100 -0.156 0.000 0.777 367 G HN 0.277 nan 8.290 nan 0.000 0.539 368 V N 1.558 120.914 119.914 -0.929 0.000 2.343 368 V HA -0.142 3.978 4.120 -0.000 0.000 0.247 368 V C 3.331 179.204 176.094 -0.368 0.000 1.051 368 V CA 2.071 63.912 62.300 -0.765 0.000 1.036 368 V CB -0.761 30.837 31.823 -0.376 0.000 0.654 368 V HN 0.473 nan 8.190 nan 0.000 0.451 369 A N -0.233 122.457 122.820 -0.217 0.000 1.902 369 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 369 A C 2.341 179.840 177.584 -0.141 0.000 1.181 369 A CA 2.217 54.179 52.037 -0.124 0.000 0.623 369 A CB -0.485 18.489 19.000 -0.043 0.000 0.818 369 A HN 0.552 nan 8.150 nan 0.000 0.443 370 K N -0.266 120.038 120.400 -0.161 0.000 2.026 370 K HA -0.075 4.245 4.320 -0.000 0.000 0.208 370 K C 2.143 178.618 176.600 -0.209 0.000 1.048 370 K CA 1.286 57.445 56.287 -0.214 0.000 0.929 370 K CB -0.365 31.884 32.500 -0.419 0.000 0.713 370 K HN 0.331 nan 8.250 nan 0.000 0.439 371 A N 1.236 123.927 122.820 -0.215 0.000 1.902 371 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 371 A C 2.138 179.653 177.584 -0.114 0.000 1.181 371 A CA 1.568 53.532 52.037 -0.120 0.000 0.623 371 A CB -0.412 18.564 19.000 -0.040 0.000 0.818 371 A HN 0.315 nan 8.150 nan 0.000 0.443 372 M N -0.465 119.051 119.600 -0.141 0.000 2.175 372 M HA -0.076 4.404 4.480 -0.000 0.000 0.264 372 M C 2.487 178.675 176.300 -0.186 0.000 1.063 372 M CA 1.493 56.709 55.300 -0.140 0.000 1.119 372 M CB -1.508 31.011 32.600 -0.135 0.000 1.377 372 M HN 0.493 nan 8.290 nan 0.000 0.415 373 A N 0.178 122.887 122.820 -0.185 0.000 1.898 373 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 373 A C 2.077 179.504 177.584 -0.261 0.000 1.181 373 A CA 1.631 53.536 52.037 -0.220 0.000 0.620 373 A CB -0.654 18.236 19.000 -0.184 0.000 0.819 373 A HN 0.547 nan 8.150 nan 0.000 0.442 374 E N -0.681 119.395 120.200 -0.207 0.000 2.058 374 E HA -0.216 4.134 4.350 -0.000 0.000 0.194 374 E C 1.950 178.450 176.600 -0.166 0.000 0.997 374 E CA 1.328 57.617 56.400 -0.186 0.000 0.801 374 E CB -0.300 29.318 29.700 -0.137 0.000 0.746 374 E HN 0.506 nan 8.360 nan 0.000 0.450 375 L N 0.946 122.091 121.223 -0.129 0.000 2.012 375 L HA -0.184 4.156 4.340 -0.000 0.000 0.210 375 L C 2.023 178.827 176.870 -0.111 0.000 1.073 375 L CA 1.621 56.417 54.840 -0.074 0.000 0.748 375 L CB -0.249 41.798 42.059 -0.021 0.000 0.891 375 L HN 0.132 nan 8.230 nan 0.000 0.431 376 L N -1.097 119.986 121.223 -0.232 0.000 2.072 376 L HA -0.136 4.203 4.340 -0.000 0.000 0.205 376 L C 2.350 179.040 176.870 -0.300 0.000 1.079 376 L CA 1.716 56.404 54.840 -0.254 0.000 0.752 376 L CB -1.013 40.867 42.059 -0.298 0.000 0.906 376 L HN 0.506 nan 8.230 nan 0.000 0.436 377 T N -5.652 108.564 114.554 -0.564 0.000 3.067 377 T HA -0.040 4.310 4.350 -0.000 0.000 0.257 377 T C 1.496 175.969 174.700 -0.379 0.000 1.105 377 T CA 0.950 62.515 62.100 -0.892 0.000 1.104 377 T CB -0.070 68.122 68.868 -1.127 0.000 0.925 377 T HN 0.400 nan 8.240 nan 0.000 0.498 378 T N -3.363 111.060 114.554 -0.217 0.000 2.958 378 T HA 0.525 4.875 4.350 -0.000 0.000 0.256 378 T C 1.850 176.533 174.700 -0.028 0.000 0.983 378 T CA 0.743 62.779 62.100 -0.107 0.000 0.924 378 T CB 0.099 68.906 68.868 -0.102 0.000 1.136 378 T HN 0.859 nan 8.240 nan 0.000 0.506 379 G N 2.290 111.091 108.800 0.001 0.000 2.175 379 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.244 379 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.244 379 G C 0.050 174.998 174.900 0.081 0.000 0.982 379 G CA 0.099 45.247 45.100 0.080 0.000 0.641 379 G HN 1.021 nan 8.290 nan 0.000 0.527 380 R N -1.067 119.450 120.500 0.028 0.000 2.707 380 R HA 0.763 5.103 4.340 -0.000 0.000 0.272 380 R C -0.550 175.741 176.300 -0.014 0.000 1.011 380 R CA -0.084 56.027 56.100 0.019 0.000 0.893 380 R CB 1.083 31.396 30.300 0.021 0.000 1.233 380 R HN 0.515 nan 8.270 nan 0.000 0.464 381 S N 0.201 115.897 115.700 -0.005 0.000 2.562 381 S HA 0.120 4.590 4.470 -0.000 0.000 0.275 381 S C 0.458 175.039 174.600 -0.032 0.000 1.281 381 S CA -0.612 57.578 58.200 -0.018 0.000 1.045 381 S CB 1.016 64.228 63.200 0.020 0.000 0.962 381 S HN 0.704 nan 8.310 nan 0.000 0.503 382 E N 2.301 122.470 120.200 -0.050 0.000 2.418 382 E HA 0.037 4.387 4.350 -0.000 0.000 0.197 382 E C 0.182 176.737 176.600 -0.074 0.000 1.026 382 E CA 0.609 56.970 56.400 -0.066 0.000 0.862 382 E CB -0.068 29.584 29.700 -0.081 0.000 0.799 382 E HN 0.556 nan 8.360 nan 0.000 0.518 383 T N 1.332 115.860 114.554 -0.043 0.000 2.823 383 T HA 0.137 4.487 4.350 -0.000 0.000 0.279 383 T C -0.462 174.192 174.700 -0.076 0.000 0.998 383 T CA -0.859 61.195 62.100 -0.077 0.000 0.994 383 T CB 1.810 70.665 68.868 -0.021 0.000 0.960 383 T HN -0.077 nan 8.240 nan 0.000 0.448 384 D N 2.303 122.616 120.400 -0.144 0.000 2.472 384 D HA -0.022 4.618 4.640 -0.000 0.000 0.248 384 D C 0.474 176.725 176.300 -0.082 0.000 1.174 384 D CA 0.227 54.159 54.000 -0.113 0.000 0.883 384 D CB 0.324 41.015 40.800 -0.182 0.000 1.149 384 D HN 0.413 nan 8.370 nan 0.000 0.488 385 L N 3.633 124.861 121.223 0.010 0.000 2.700 385 L HA 0.269 4.609 4.340 -0.000 0.000 0.234 385 L C 2.215 179.123 176.870 0.062 0.000 1.156 385 L CA -0.094 54.776 54.840 0.050 0.000 0.946 385 L CB 0.149 42.265 42.059 0.094 0.000 1.216 385 L HN 0.643 nan 8.230 nan 0.000 0.493 386 G N 0.531 109.372 108.800 0.069 0.000 2.475 386 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.220 386 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.220 386 G C 1.375 176.306 174.900 0.052 0.000 1.125 386 G CA 1.229 46.415 45.100 0.144 0.000 0.755 386 G HN 0.528 nan 8.290 nan 0.000 0.565 387 E N -1.035 119.155 120.200 -0.017 0.000 2.479 387 E HA 0.218 4.567 4.350 -0.000 0.000 0.193 387 E C 1.840 178.436 176.600 -0.005 0.000 1.049 387 E CA 0.847 57.227 56.400 -0.034 0.000 0.870 387 E CB -0.636 29.022 29.700 -0.070 0.000 0.944 387 E HN 0.492 nan 8.360 nan 0.000 0.492 388 C N 0.448 119.767 119.300 0.032 0.000 3.364 388 C HA 0.234 4.694 4.460 -0.000 0.000 0.340 388 C C 0.835 175.888 174.990 0.105 0.000 1.336 388 C CA -0.777 58.295 59.018 0.091 0.000 1.778 388 C CB 0.175 28.003 27.740 0.146 0.000 2.398 388 C HN 0.562 nan 8.230 nan 0.000 0.667 389 D N 1.462 121.910 120.400 0.080 0.000 2.390 389 D HA 0.060 4.700 4.640 -0.000 0.000 0.249 389 D C 0.865 177.230 176.300 0.108 0.000 1.144 389 D CA 0.076 54.133 54.000 0.095 0.000 0.880 389 D CB 0.773 41.619 40.800 0.078 0.000 1.182 389 D HN 0.298 nan 8.370 nan 0.000 0.451 390 I N 3.409 124.076 120.570 0.162 0.000 2.423 390 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 390 I C 2.054 178.314 176.117 0.240 0.000 1.151 390 I CA 1.665 63.110 61.300 0.241 0.000 1.421 390 I CB 0.004 38.124 38.000 0.201 0.000 1.079 390 I HN 0.510 nan 8.210 nan 0.000 0.431 391 T N -1.533 113.104 114.554 0.139 0.000 3.148 391 T HA -0.044 4.306 4.350 -0.000 0.000 0.253 391 T C 1.803 176.543 174.700 0.065 0.000 1.134 391 T CA 0.419 62.587 62.100 0.113 0.000 1.051 391 T CB -0.685 68.231 68.868 0.080 0.000 0.959 391 T HN 0.592 nan 8.240 nan 0.000 0.525 392 R N -0.091 120.393 120.500 -0.026 0.000 2.237 392 R HA 0.119 4.459 4.340 -0.000 0.000 0.219 392 R C -0.054 176.125 176.300 -0.202 0.000 1.080 392 R CA 0.249 56.257 56.100 -0.154 0.000 0.995 392 R CB -0.634 29.488 30.300 -0.298 0.000 0.875 392 R HN 0.380 nan 8.270 nan 0.000 0.462 393 F N 2.549 122.535 119.950 0.061 0.000 2.399 393 F HA 0.178 4.705 4.527 -0.000 0.000 0.342 393 F C 0.990 176.791 175.800 0.002 0.000 1.106 393 F CA -0.666 57.351 58.000 0.029 0.000 1.196 393 F CB 0.788 39.795 39.000 0.013 0.000 1.163 393 F HN -0.103 nan 8.300 nan 0.000 0.547 394 E N 1.506 121.803 120.200 0.162 0.000 2.345 394 E HA 0.015 4.364 4.350 -0.000 0.000 0.259 394 E C 0.386 176.979 176.600 -0.011 0.000 1.117 394 E CA -0.163 56.271 56.400 0.057 0.000 0.913 394 E CB 0.619 30.324 29.700 0.009 0.000 1.057 394 E HN 0.568 nan 8.360 nan 0.000 0.432 395 D N 0.519 120.893 120.400 -0.044 0.000 2.149 395 D HA -0.146 4.494 4.640 -0.000 0.000 0.198 395 D C 1.807 178.017 176.300 -0.149 0.000 0.990 395 D CA 1.354 55.309 54.000 -0.075 0.000 0.839 395 D CB -0.090 40.671 40.800 -0.065 0.000 0.948 395 D HN 0.320 nan 8.370 nan 0.000 0.460 396 V N -1.102 118.686 119.914 -0.211 0.000 2.913 396 V HA -0.148 3.972 4.120 -0.000 0.000 0.260 396 V C 1.617 177.397 176.094 -0.523 0.000 1.098 396 V CA 1.233 63.364 62.300 -0.281 0.000 1.121 396 V CB -0.780 30.878 31.823 -0.275 0.000 0.714 396 V HN 0.101 nan 8.190 nan 0.000 0.487 397 Q N -0.139 119.294 119.800 -0.611 0.000 2.403 397 Q HA 0.328 4.667 4.340 -0.000 0.000 0.203 397 Q C 1.639 177.349 176.000 -0.483 0.000 0.932 397 Q CA 0.482 55.656 55.803 -1.048 0.000 0.945 397 Q CB 0.227 28.695 28.738 -0.450 0.000 1.045 397 Q HN 0.611 nan 8.270 nan 0.000 0.511 398 L N 0.459 121.519 121.223 -0.271 0.000 2.693 398 L HA 0.123 4.463 4.340 -0.000 0.000 0.235 398 L C 0.898 177.712 176.870 -0.094 0.000 1.127 398 L CA -0.156 54.583 54.840 -0.168 0.000 0.914 398 L CB 0.368 42.365 42.059 -0.102 0.000 1.193 398 L HN 0.118 nan 8.230 nan 0.000 0.502 399 T N -3.418 111.093 114.554 -0.071 0.000 2.918 399 T HA 0.144 4.494 4.350 -0.000 0.000 0.302 399 T C -1.694 173.015 174.700 0.014 0.000 1.045 399 T CA -1.383 60.704 62.100 -0.022 0.000 1.114 399 T CB 1.214 70.077 68.868 -0.008 0.000 0.965 399 T HN -0.169 nan 8.240 nan 0.000 0.540 400 P HA -0.102 nan 4.420 nan 0.000 0.216 400 P C 1.233 178.540 177.300 0.011 0.000 1.150 400 P CA 1.149 64.249 63.100 -0.000 0.000 0.843 400 P CB 0.062 31.756 31.700 -0.009 0.000 0.787 401 E N -1.968 118.244 120.200 0.019 0.000 2.110 401 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 401 E C 1.975 178.596 176.600 0.036 0.000 0.988 401 E CA 1.019 57.428 56.400 0.015 0.000 0.804 401 E CB -0.950 28.758 29.700 0.012 0.000 0.745 401 E HN 0.366 nan 8.360 nan 0.000 0.458 402 Y N 0.523 120.789 120.300 -0.056 0.000 2.184 402 Y HA -0.196 4.354 4.550 -0.000 0.000 0.290 402 Y C 2.075 177.940 175.900 -0.058 0.000 1.129 402 Y CA 1.053 59.121 58.100 -0.054 0.000 1.144 402 Y CB -0.088 38.338 38.460 -0.057 0.000 0.995 402 Y HN -0.146 nan 8.280 nan 0.000 0.513 403 V N -0.611 119.386 119.914 0.138 0.000 2.343 403 V HA -0.307 3.813 4.120 -0.000 0.000 0.247 403 V C 2.612 178.681 176.094 -0.041 0.000 1.051 403 V CA 2.095 64.416 62.300 0.035 0.000 1.036 403 V CB -1.032 30.792 31.823 0.000 0.000 0.654 403 V HN 0.528 nan 8.190 nan 0.000 0.451 404 S N -0.693 114.981 115.700 -0.044 0.000 2.355 404 S HA -0.262 4.208 4.470 -0.000 0.000 0.222 404 S C 2.097 176.641 174.600 -0.093 0.000 1.031 404 S CA 2.057 60.218 58.200 -0.064 0.000 0.993 404 S CB -0.247 62.921 63.200 -0.053 0.000 0.859 404 S HN 0.720 nan 8.310 nan 0.000 0.453 405 E N -0.188 119.942 120.200 -0.117 0.000 2.031 405 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 405 E C 2.123 178.616 176.600 -0.178 0.000 0.994 405 E CA 1.872 58.185 56.400 -0.144 0.000 0.800 405 E CB -0.359 29.245 29.700 -0.160 0.000 0.752 405 E HN 0.815 nan 8.360 nan 0.000 0.447 406 T N -1.877 112.514 114.554 -0.271 0.000 2.904 406 T HA -0.005 4.344 4.350 -0.000 0.000 0.267 406 T C 2.134 176.762 174.700 -0.121 0.000 1.059 406 T CA 1.214 63.162 62.100 -0.254 0.000 1.137 406 T CB -0.163 68.457 68.868 -0.413 0.000 0.879 406 T HN -0.036 nan 8.240 nan 0.000 0.467 407 S N 1.647 117.297 115.700 -0.083 0.000 2.383 407 S HA -0.071 4.398 4.470 -0.000 0.000 0.227 407 S C 2.263 176.777 174.600 -0.144 0.000 1.026 407 S CA 0.881 59.068 58.200 -0.023 0.000 0.981 407 S CB -0.367 62.858 63.200 0.041 0.000 0.818 407 S HN 0.592 nan 8.310 nan 0.000 0.472 408 Q N 0.601 120.327 119.800 -0.123 0.000 2.084 408 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 408 Q C 2.331 178.279 176.000 -0.087 0.000 0.978 408 Q CA 1.357 57.092 55.803 -0.113 0.000 0.844 408 Q CB -0.196 28.487 28.738 -0.093 0.000 0.898 408 Q HN 0.372 nan 8.270 nan 0.000 0.426 409 Q N 0.750 120.492 119.800 -0.097 0.000 2.167 409 Q HA -0.125 4.215 4.340 -0.000 0.000 0.202 409 Q C 1.466 177.398 176.000 -0.115 0.000 0.970 409 Q CA 1.288 57.044 55.803 -0.078 0.000 0.855 409 Q CB 0.027 28.722 28.738 -0.072 0.000 0.911 409 Q HN 0.298 nan 8.270 nan 0.000 0.438 410 N N -0.588 118.006 118.700 -0.178 0.000 2.244 410 N HA -0.138 4.602 4.740 -0.000 0.000 0.183 410 N C 1.323 176.480 175.510 -0.588 0.000 1.016 410 N CA 0.971 53.874 53.050 -0.245 0.000 0.866 410 N CB -0.391 38.052 38.487 -0.073 0.000 0.980 410 N HN 0.317 nan 8.380 nan 0.000 0.430 411 F N 1.648 121.024 119.950 -0.955 0.000 2.102 411 F HA -0.132 4.395 4.527 -0.000 0.000 0.298 411 F C 2.108 177.705 175.800 -0.339 0.000 1.105 411 F CA 0.893 58.426 58.000 -0.777 0.000 1.239 411 F CB -0.227 38.464 39.000 -0.516 0.000 0.991 411 F HN -0.229 nan 8.300 nan 0.000 0.474 412 V N 0.339 120.216 119.914 -0.061 0.000 2.392 412 V HA -0.292 3.827 4.120 -0.000 0.000 0.249 412 V C 1.617 177.627 176.094 -0.140 0.000 1.059 412 V CA 2.300 64.568 62.300 -0.054 0.000 1.051 412 V CB -0.650 31.188 31.823 0.025 0.000 0.658 412 V HN 0.370 nan 8.190 nan 0.000 0.455 413 E N -0.820 119.300 120.200 -0.133 0.000 2.444 413 E HA 0.175 4.525 4.350 -0.000 0.000 0.191 413 E C 1.804 178.368 176.600 -0.059 0.000 1.041 413 E CA -0.163 56.199 56.400 -0.063 0.000 0.883 413 E CB 0.197 29.895 29.700 -0.003 0.000 1.024 413 E HN 0.593 nan 8.360 nan 0.000 0.470 414 I N 0.369 120.815 120.570 -0.207 0.000 2.248 414 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 414 I C 0.832 177.014 176.117 0.108 0.000 1.107 414 I CA 1.392 62.609 61.300 -0.139 0.000 1.373 414 I CB 0.210 37.873 38.000 -0.561 0.000 1.055 414 I HN 0.165 nan 8.210 nan 0.000 0.418 415 Y N 0.728 120.935 120.300 -0.154 0.000 2.636 415 Y HA 0.275 4.825 4.550 -0.000 0.000 0.260 415 Y C -0.050 175.834 175.900 -0.026 0.000 1.177 415 Y CA -1.351 56.700 58.100 -0.082 0.000 1.209 415 Y CB -0.545 37.879 38.460 -0.061 0.000 1.166 415 Y HN 0.100 nan 8.280 nan 0.000 0.531 416 D N -0.281 120.197 120.400 0.130 0.000 2.304 416 D HA 0.166 4.806 4.640 -0.000 0.000 0.247 416 D C -0.046 176.335 176.300 0.134 0.000 1.089 416 D CA 0.001 54.067 54.000 0.111 0.000 0.910 416 D CB 2.040 42.901 40.800 0.101 0.000 1.199 416 D HN -0.256 nan 8.370 nan 0.000 0.426 417 V N 3.176 123.179 119.914 0.148 0.000 2.470 417 V HA 0.200 4.320 4.120 -0.000 0.000 0.276 417 V C 0.305 176.588 176.094 0.315 0.000 1.040 417 V CA -0.069 62.360 62.300 0.215 0.000 1.008 417 V CB -0.107 31.833 31.823 0.194 0.000 0.990 417 V HN 0.268 nan 8.190 nan 0.000 0.477 418 L N 4.358 125.808 121.223 0.379 0.000 2.401 418 L HA 0.523 4.863 4.340 -0.000 0.000 0.266 418 L C -0.035 177.122 176.870 0.479 0.000 0.991 418 L CA -0.774 54.288 54.840 0.370 0.000 0.818 418 L CB 2.105 44.310 42.059 0.243 0.000 1.321 418 L HN 0.596 nan 8.230 nan 0.000 0.413 419 H N 4.245 123.420 119.070 0.175 0.000 2.707 419 H HA 0.123 4.679 4.556 -0.000 0.000 0.359 419 H C -1.801 173.575 175.328 0.079 0.000 1.113 419 H CA -1.095 54.898 56.048 -0.090 0.000 1.422 419 H CB 1.967 31.521 29.762 -0.346 0.000 1.443 419 H HN 0.355 nan 8.280 nan 0.000 0.591 420 P HA -0.099 nan 4.420 nan 0.000 0.221 420 P C 1.257 178.624 177.300 0.111 0.000 1.145 420 P CA 1.021 64.147 63.100 0.044 0.000 0.795 420 P CB 0.260 31.975 31.700 0.024 0.000 0.775 421 L N -1.490 119.905 121.223 0.287 0.000 2.607 421 L HA 0.168 4.508 4.340 -0.000 0.000 0.228 421 L C 1.051 177.587 176.870 -0.556 0.000 1.123 421 L CA -0.346 54.473 54.840 -0.035 0.000 0.890 421 L CB -0.498 41.581 42.059 0.032 0.000 1.103 421 L HN -0.087 nan 8.230 nan 0.000 0.468 422 Q N 3.106 122.676 119.800 -0.383 0.000 2.264 422 Q HA 0.067 4.407 4.340 -0.000 0.000 0.296 422 Q C -2.121 173.666 176.000 -0.355 0.000 1.103 422 Q CA -0.827 54.676 55.803 -0.501 0.000 0.967 422 Q CB 0.314 29.038 28.738 -0.023 0.000 1.090 422 Q HN 0.045 nan 8.270 nan 0.000 0.379 423 P HA 0.244 nan 4.420 nan 0.000 0.278 423 P C -0.880 176.365 177.300 -0.090 0.000 1.258 423 P CA -0.439 62.536 63.100 -0.208 0.000 0.811 423 P CB 0.933 32.496 31.700 -0.229 0.000 1.063 424 R N 0.634 121.102 120.500 -0.053 0.000 2.641 424 R HA 0.231 4.571 4.340 -0.000 0.000 0.269 424 R C 1.279 177.556 176.300 -0.040 0.000 1.074 424 R CA -0.416 55.663 56.100 -0.036 0.000 1.133 424 R CB 0.320 30.597 30.300 -0.038 0.000 1.029 424 R HN 0.491 nan 8.270 nan 0.000 0.488 425 L N 0.112 121.318 121.223 -0.028 0.000 2.477 425 L HA 0.106 4.446 4.340 -0.000 0.000 0.220 425 L C 0.787 177.634 176.870 -0.039 0.000 1.106 425 L CA 0.433 55.256 54.840 -0.028 0.000 0.851 425 L CB 0.207 42.261 42.059 -0.009 0.000 0.994 425 L HN 0.517 nan 8.230 nan 0.000 0.462 426 S N -0.469 115.202 115.700 -0.048 0.000 2.537 426 S HA 0.486 4.956 4.470 -0.000 0.000 0.271 426 S C -2.817 171.730 174.600 -0.088 0.000 1.148 426 S CA -1.001 57.164 58.200 -0.058 0.000 0.868 426 S CB 2.028 65.197 63.200 -0.052 0.000 1.115 426 S HN -0.187 nan 8.310 nan 0.000 0.461 427 P HA 0.514 nan 4.420 nan 0.000 0.278 427 P C -1.020 176.263 177.300 -0.028 0.000 1.238 427 P CA -0.565 62.505 63.100 -0.050 0.000 0.794 427 P CB 0.582 32.270 31.700 -0.021 0.000 0.955 428 R N 1.578 122.050 120.500 -0.047 0.000 2.905 428 R HA 0.347 4.687 4.340 -0.000 0.000 0.260 428 R C 0.333 176.570 176.300 -0.106 0.000 1.086 428 R CA -0.797 55.263 56.100 -0.067 0.000 0.978 428 R CB 0.506 30.758 30.300 -0.080 0.000 1.215 428 R HN 0.510 nan 8.270 nan 0.000 0.480 429 N N 0.522 119.126 118.700 -0.160 0.000 2.747 429 N HA -0.189 4.551 4.740 -0.000 0.000 0.249 429 N C 0.890 176.270 175.510 -0.217 0.000 1.107 429 N CA 0.647 53.554 53.050 -0.238 0.000 0.707 429 N CB -1.230 37.119 38.487 -0.230 0.000 1.054 429 N HN 0.490 nan 8.380 nan 0.000 0.555 430 L N -0.470 120.648 121.223 -0.174 0.000 2.023 430 L HA -0.041 4.299 4.340 -0.000 0.000 0.205 430 L C 0.935 177.639 176.870 -0.277 0.000 1.073 430 L CA 1.382 56.113 54.840 -0.182 0.000 0.745 430 L CB -0.050 41.927 42.059 -0.137 0.000 0.900 430 L HN 0.089 nan 8.230 nan 0.000 0.435 431 R N 0.071 120.365 120.500 -0.344 0.000 2.480 431 R HA 0.525 4.865 4.340 -0.000 0.000 0.306 431 R C -1.150 174.966 176.300 -0.307 0.000 0.958 431 R CA -0.388 55.396 56.100 -0.526 0.000 0.861 431 R CB 2.287 31.940 30.300 -1.079 0.000 1.171 431 R HN -0.045 nan 8.270 nan 0.000 0.445 432 V N -0.691 119.089 119.914 -0.223 0.000 2.876 432 V HA 0.648 4.768 4.120 -0.000 0.000 0.312 432 V C 0.240 176.437 176.094 0.171 0.000 1.085 432 V CA -0.983 61.292 62.300 -0.042 0.000 0.945 432 V CB 1.937 33.497 31.823 -0.437 0.000 1.017 432 V HN 0.863 nan 8.190 nan 0.000 0.428 433 S N 2.370 118.221 115.700 0.252 0.000 2.624 433 S HA 0.481 4.951 4.470 -0.000 0.000 0.263 433 S C -1.723 172.738 174.600 -0.233 0.000 1.287 433 S CA -0.629 57.581 58.200 0.016 0.000 0.990 433 S CB 0.721 63.827 63.200 -0.157 0.000 0.950 433 S HN 0.720 nan 8.310 nan 0.000 0.561 434 P HA 0.082 nan 4.420 nan 0.000 0.230 434 P C 0.245 177.315 177.300 -0.383 0.000 1.158 434 P CA 0.958 63.793 63.100 -0.441 0.000 0.769 434 P CB -0.188 31.240 31.700 -0.454 0.000 0.807 435 F N -3.240 116.552 119.950 -0.263 0.000 2.693 435 F HA 0.108 4.635 4.527 -0.000 0.000 0.303 435 F C 2.373 177.750 175.800 -0.705 0.000 1.097 435 F CA -0.315 57.254 58.000 -0.717 0.000 1.330 435 F CB -0.696 37.537 39.000 -1.277 0.000 1.067 435 F HN 0.078 nan 8.300 nan 0.000 0.565 436 H N 1.383 120.306 119.070 -0.244 0.000 2.319 436 H HA -0.195 4.360 4.556 -0.000 0.000 0.299 436 H C 2.200 177.511 175.328 -0.029 0.000 1.092 436 H CA 1.655 57.680 56.048 -0.038 0.000 1.302 436 H CB 0.174 29.915 29.762 -0.034 0.000 1.373 436 H HN 0.329 nan 8.280 nan 0.000 0.497 437 A N 1.587 124.354 122.820 -0.087 0.000 1.902 437 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 437 A C 2.494 179.967 177.584 -0.184 0.000 1.181 437 A CA 1.124 53.090 52.037 -0.120 0.000 0.623 437 A CB -0.300 18.664 19.000 -0.059 0.000 0.818 437 A HN 0.313 nan 8.150 nan 0.000 0.443 438 R N -0.473 119.839 120.500 -0.314 0.000 2.096 438 R HA -0.116 4.224 4.340 -0.000 0.000 0.235 438 R C 1.881 178.003 176.300 -0.296 0.000 1.127 438 R CA 1.815 57.670 56.100 -0.408 0.000 0.968 438 R CB -1.183 28.642 30.300 -0.792 0.000 0.861 438 R HN 0.831 nan 8.270 nan 0.000 0.440 439 H N 0.061 118.959 119.070 -0.287 0.000 2.353 439 H HA -0.056 4.500 4.556 -0.000 0.000 0.300 439 H C 2.194 177.521 175.328 -0.001 0.000 1.090 439 H CA 1.255 57.284 56.048 -0.032 0.000 1.327 439 H CB 0.168 29.995 29.762 0.109 0.000 1.383 439 H HN 0.113 nan 8.280 nan 0.000 0.508 440 K N 1.161 121.590 120.400 0.049 0.000 2.097 440 K HA -0.156 4.164 4.320 -0.000 0.000 0.205 440 K C 1.772 178.389 176.600 0.029 0.000 1.050 440 K CA 1.395 57.702 56.287 0.034 0.000 0.938 440 K CB 0.167 32.635 32.500 -0.053 0.000 0.718 440 K HN 0.369 nan 8.250 nan 0.000 0.442 441 E N 0.441 120.634 120.200 -0.011 0.000 2.118 441 E HA -0.193 4.157 4.350 -0.000 0.000 0.195 441 E C 1.547 178.166 176.600 0.032 0.000 0.992 441 E CA 1.108 57.504 56.400 -0.006 0.000 0.804 441 E CB -0.046 29.622 29.700 -0.053 0.000 0.741 441 E HN 0.319 nan 8.360 nan 0.000 0.458 442 L N -0.162 121.092 121.223 0.053 0.000 2.612 442 L HA 0.158 4.498 4.340 -0.000 0.000 0.230 442 L C 1.004 178.014 176.870 0.233 0.000 1.140 442 L CA 0.122 55.038 54.840 0.127 0.000 0.896 442 L CB 0.003 42.092 42.059 0.050 0.000 1.065 442 L HN 0.243 nan 8.230 nan 0.000 0.447 443 G N 0.697 109.587 108.800 0.151 0.000 2.225 443 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.264 443 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.264 443 G C 0.417 175.323 174.900 0.010 0.000 1.060 443 G CA 0.042 45.209 45.100 0.113 0.000 0.833 443 G HN 0.514 nan 8.290 nan 0.000 0.498 444 A N -0.368 122.356 122.820 -0.161 0.000 2.540 444 A HA 0.489 4.808 4.320 -0.000 0.000 0.239 444 A C 0.130 177.275 177.584 -0.732 0.000 1.061 444 A CA 0.329 51.864 52.037 -0.837 0.000 0.758 444 A CB 0.232 18.379 19.000 -1.422 0.000 0.991 444 A HN 1.475 nan 8.150 nan 0.000 0.502 445 F N 3.622 122.967 119.950 -1.008 0.000 2.350 445 F HA 0.581 5.107 4.527 -0.000 0.000 0.365 445 F C -0.858 174.477 175.800 -0.776 0.000 1.122 445 F CA -0.723 56.770 58.000 -0.846 0.000 1.139 445 F CB 0.164 38.319 39.000 -1.408 0.000 1.220 445 F HN 0.449 nan 8.300 nan 0.000 0.499 446 F N 6.447 126.011 119.950 -0.644 0.000 2.404 446 F HA 0.552 5.079 4.527 -0.000 0.000 0.339 446 F C -0.275 175.248 175.800 -0.461 0.000 1.105 446 F CA -0.582 57.184 58.000 -0.390 0.000 1.087 446 F CB 1.139 40.010 39.000 -0.216 0.000 1.143 446 F HN 0.224 nan 8.300 nan 0.000 0.491 447 L N 1.915 123.131 121.223 -0.011 0.000 2.301 447 L HA 0.558 4.898 4.340 -0.000 0.000 0.264 447 L C -0.510 176.405 176.870 0.075 0.000 1.016 447 L CA -1.023 53.751 54.840 -0.111 0.000 0.821 447 L CB 2.041 43.866 42.059 -0.390 0.000 1.346 447 L HN 0.484 nan 8.230 nan 0.000 0.429 448 E N 1.316 121.539 120.200 0.038 0.000 2.238 448 E HA 0.779 5.129 4.350 -0.000 0.000 0.267 448 E C -1.917 174.769 176.600 0.143 0.000 0.887 448 E CA -0.667 55.799 56.400 0.110 0.000 0.769 448 E CB 2.348 32.082 29.700 0.056 0.000 1.187 448 E HN 0.650 nan 8.360 nan 0.000 0.416 449 A N 1.528 124.472 122.820 0.208 0.000 2.517 449 A HA 0.598 4.918 4.320 -0.000 0.000 0.297 449 A C 0.403 178.142 177.584 0.259 0.000 1.050 449 A CA -0.080 52.083 52.037 0.209 0.000 0.694 449 A CB 1.013 20.138 19.000 0.207 0.000 1.277 449 A HN 1.076 nan 8.150 nan 0.000 0.400 450 G N 0.500 109.425 108.800 0.208 0.000 2.203 450 G HA2 0.134 4.094 3.960 -0.000 0.000 0.263 450 G HA3 0.134 4.094 3.960 -0.000 0.000 0.263 450 G C 1.753 176.697 174.900 0.073 0.000 1.012 450 G CA 1.682 46.892 45.100 0.182 0.000 0.749 450 G HN 2.938 nan 8.290 nan 0.000 0.512 451 G N -2.504 106.336 108.800 0.066 0.000 2.241 451 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.244 451 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.244 451 G C 0.458 175.310 174.900 -0.081 0.000 0.998 451 G CA 0.454 45.517 45.100 -0.063 0.000 0.621 451 G HN 1.089 nan 8.290 nan 0.000 0.519 452 W N 2.099 123.410 121.300 0.019 0.000 2.287 452 W HA 0.616 5.276 4.660 -0.000 0.000 0.313 452 W C 0.355 176.891 176.519 0.028 0.000 1.267 452 W CA -0.693 56.661 57.345 0.014 0.000 1.201 452 W CB 0.738 30.227 29.460 0.048 0.000 1.196 452 W HN -0.062 nan 8.180 nan 0.000 0.536 453 E N 3.633 123.993 120.200 0.268 0.000 2.180 453 E HA 0.199 4.549 4.350 -0.000 0.000 0.283 453 E C -0.458 176.402 176.600 0.433 0.000 1.061 453 E CA -0.316 56.193 56.400 0.182 0.000 0.861 453 E CB 0.789 30.354 29.700 -0.225 0.000 1.056 453 E HN 0.326 nan 8.360 nan 0.000 0.407 454 R N 3.670 124.448 120.500 0.463 0.000 2.439 454 R HA 0.351 4.691 4.340 -0.000 0.000 0.310 454 R C -2.500 173.948 176.300 0.247 0.000 0.955 454 R CA -1.967 54.346 56.100 0.356 0.000 0.853 454 R CB 1.483 31.938 30.300 0.257 0.000 1.171 454 R HN 0.182 nan 8.270 nan 0.000 0.449 455 P HA -0.024 nan 4.420 nan 0.000 0.267 455 P C -0.433 176.689 177.300 -0.297 0.000 1.209 455 P CA 0.156 62.889 63.100 -0.612 0.000 0.763 455 P CB 0.415 31.412 31.700 -1.172 0.000 0.816 456 Y N 2.536 122.579 120.300 -0.428 0.000 2.476 456 Y HA 0.153 4.703 4.550 -0.000 0.000 0.283 456 Y C 0.609 176.531 175.900 0.037 0.000 1.109 456 Y CA 0.870 58.891 58.100 -0.131 0.000 1.246 456 Y CB 0.092 38.525 38.460 -0.044 0.000 1.068 456 Y HN 0.520 nan 8.280 nan 0.000 0.552 457 W N -3.536 117.686 121.300 -0.130 0.000 2.926 457 W HA 0.564 5.223 4.660 -0.000 0.000 0.361 457 W C -2.326 173.923 176.519 -0.450 0.000 1.195 457 W CA -2.051 55.203 57.345 -0.152 0.000 1.177 457 W CB 0.026 29.482 29.460 -0.006 0.000 1.453 457 W HN -0.332 nan 8.180 nan 0.000 0.571 458 F N 1.801 121.926 119.950 0.292 0.000 2.518 458 F HA 0.375 4.902 4.527 -0.000 0.000 0.323 458 F C 1.319 177.270 175.800 0.253 0.000 1.129 458 F CA -0.867 57.217 58.000 0.140 0.000 0.920 458 F CB 2.275 41.308 39.000 0.056 0.000 1.160 458 F HN 0.597 nan 8.300 nan 0.000 0.440 459 E N 1.895 122.313 120.200 0.363 0.000 2.209 459 E HA -0.217 4.133 4.350 -0.000 0.000 0.196 459 E C 2.120 178.853 176.600 0.223 0.000 0.993 459 E CA 1.229 57.802 56.400 0.288 0.000 0.819 459 E CB 0.025 29.860 29.700 0.225 0.000 0.745 459 E HN 0.781 nan 8.360 nan 0.000 0.477 460 A N 1.732 124.693 122.820 0.234 0.000 1.986 460 A HA -0.225 4.095 4.320 -0.000 0.000 0.220 460 A C 1.699 179.380 177.584 0.162 0.000 1.171 460 A CA 1.461 53.608 52.037 0.183 0.000 0.640 460 A CB -0.328 18.783 19.000 0.184 0.000 0.811 460 A HN 0.160 nan 8.150 nan 0.000 0.451 461 N N -0.227 118.589 118.700 0.192 0.000 2.398 461 N HA 0.155 4.895 4.740 -0.000 0.000 0.188 461 N C 1.507 177.081 175.510 0.107 0.000 1.122 461 N CA 0.839 53.974 53.050 0.141 0.000 0.866 461 N CB -0.158 38.425 38.487 0.159 0.000 0.970 461 N HN 0.494 nan 8.380 nan 0.000 0.462 462 A N 0.956 123.837 122.820 0.103 0.000 1.972 462 A HA 0.014 4.334 4.320 -0.000 0.000 0.219 462 A C 2.285 179.901 177.584 0.053 0.000 1.169 462 A CA 1.516 53.587 52.037 0.057 0.000 0.635 462 A CB -0.446 18.586 19.000 0.052 0.000 0.810 462 A HN 0.264 nan 8.150 nan 0.000 0.446 463 A N -0.385 122.475 122.820 0.067 0.000 2.070 463 A HA 0.032 4.351 4.320 -0.000 0.000 0.220 463 A C 1.945 179.568 177.584 0.066 0.000 1.159 463 A CA 1.243 53.315 52.037 0.058 0.000 0.656 463 A CB -0.503 18.533 19.000 0.060 0.000 0.800 463 A HN 0.492 nan 8.150 nan 0.000 0.453 464 L N -0.919 120.358 121.223 0.089 0.000 2.478 464 L HA -0.002 4.338 4.340 -0.000 0.000 0.223 464 L C 2.107 179.061 176.870 0.141 0.000 1.140 464 L CA 0.139 55.069 54.840 0.150 0.000 0.842 464 L CB -0.332 41.845 42.059 0.197 0.000 0.953 464 L HN 0.354 nan 8.230 nan 0.000 0.452 465 L N 0.524 121.785 121.223 0.063 0.000 2.083 465 L HA -0.216 4.123 4.340 -0.000 0.000 0.209 465 L C 2.700 179.552 176.870 -0.030 0.000 1.083 465 L CA 1.415 56.257 54.840 0.002 0.000 0.752 465 L CB -0.487 41.559 42.059 -0.021 0.000 0.899 465 L HN 0.368 nan 8.230 nan 0.000 0.433 466 K N 0.774 121.172 120.400 -0.004 0.000 2.283 466 K HA -0.183 4.137 4.320 -0.000 0.000 0.202 466 K C 1.419 178.006 176.600 -0.021 0.000 1.048 466 K CA 1.579 57.857 56.287 -0.014 0.000 0.948 466 K CB -0.211 32.289 32.500 0.001 0.000 0.742 466 K HN 0.556 nan 8.250 nan 0.000 0.458 467 E N 0.599 120.800 120.200 0.002 0.000 2.474 467 E HA 0.064 4.414 4.350 -0.000 0.000 0.195 467 E C 0.529 177.043 176.600 -0.144 0.000 1.039 467 E CA -0.395 56.013 56.400 0.013 0.000 0.881 467 E CB -0.007 29.767 29.700 0.124 0.000 0.970 467 E HN 0.212 nan 8.360 nan 0.000 0.486 468 M N 2.746 122.124 119.600 -0.369 0.000 2.228 468 M HA 0.218 4.698 4.480 -0.000 0.000 0.351 468 M C -2.304 173.636 176.300 -0.600 0.000 1.233 468 M CA -2.063 52.627 55.300 -1.016 0.000 1.129 468 M CB 0.659 32.831 32.600 -0.714 0.000 1.604 468 M HN -0.193 nan 8.290 nan 0.000 0.457 469 P HA 0.042 nan 4.420 nan 0.000 0.265 469 P C -0.285 176.960 177.300 -0.092 0.000 1.193 469 P CA 0.070 63.061 63.100 -0.182 0.000 0.765 469 P CB 0.568 32.262 31.700 -0.009 0.000 0.823 470 A N 4.505 127.286 122.820 -0.066 0.000 1.997 470 A HA -0.267 4.053 4.320 -0.000 0.000 0.221 470 A C 1.883 179.448 177.584 -0.033 0.000 1.172 470 A CA 1.901 53.911 52.037 -0.045 0.000 0.645 470 A CB -0.980 17.997 19.000 -0.039 0.000 0.813 470 A HN 0.710 nan 8.150 nan 0.000 0.454 471 E N -1.264 118.902 120.200 -0.057 0.000 2.267 471 E HA -0.253 4.096 4.350 -0.000 0.000 0.197 471 E C 1.544 178.023 176.600 -0.202 0.000 0.998 471 E CA 1.353 57.666 56.400 -0.145 0.000 0.830 471 E CB -0.512 29.058 29.700 -0.218 0.000 0.751 471 E HN 0.884 nan 8.360 nan 0.000 0.491 472 W N 0.995 122.239 121.300 -0.092 0.000 2.863 472 W HA 0.224 4.884 4.660 -0.000 0.000 0.258 472 W C 0.664 177.181 176.519 -0.003 0.000 1.298 472 W CA -0.703 56.616 57.345 -0.045 0.000 1.451 472 W CB 0.161 29.498 29.460 -0.204 0.000 1.107 472 W HN -0.007 nan 8.180 nan 0.000 0.641 473 L N 4.398 125.697 121.223 0.127 0.000 2.361 473 L HA 0.304 4.644 4.340 -0.000 0.000 0.278 473 L C -1.657 175.246 176.870 0.054 0.000 1.113 473 L CA -1.990 52.887 54.840 0.062 0.000 0.849 473 L CB -0.105 41.950 42.059 -0.006 0.000 1.155 473 L HN -0.294 nan 8.230 nan 0.000 0.452 474 P HA 0.418 nan 4.420 nan 0.000 0.276 474 P C -2.681 174.527 177.300 -0.153 0.000 1.252 474 P CA -1.284 61.739 63.100 -0.127 0.000 0.802 474 P CB -0.389 31.101 31.700 -0.350 0.000 1.035 475 P HA 0.200 nan 4.420 nan 0.000 0.273 475 P C -0.421 176.795 177.300 -0.139 0.000 1.250 475 P CA -0.339 62.688 63.100 -0.123 0.000 0.793 475 P CB -0.009 31.640 31.700 -0.084 0.000 1.011 476 A N 1.704 124.471 122.820 -0.088 0.000 2.483 476 A HA 0.161 4.481 4.320 -0.000 0.000 0.238 476 A C 0.486 178.025 177.584 -0.075 0.000 1.070 476 A CA 0.058 52.048 52.037 -0.078 0.000 0.770 476 A CB -0.224 18.745 19.000 -0.052 0.000 1.008 476 A HN 0.446 nan 8.150 nan 0.000 0.497 477 R N 0.499 120.959 120.500 -0.067 0.000 2.643 477 R HA 0.344 4.684 4.340 -0.000 0.000 0.272 477 R C -0.548 175.754 176.300 0.003 0.000 0.995 477 R CA -0.639 55.442 56.100 -0.032 0.000 1.032 477 R CB 0.923 31.203 30.300 -0.033 0.000 1.126 477 R HN 0.913 nan 8.270 nan 0.000 0.505 478 D N 0.505 120.937 120.400 0.053 0.000 2.398 478 D HA 0.075 4.715 4.640 -0.000 0.000 0.247 478 D C 0.784 177.136 176.300 0.086 0.000 1.227 478 D CA -0.339 53.707 54.000 0.076 0.000 0.980 478 D CB 0.540 41.414 40.800 0.124 0.000 1.106 478 D HN 0.447 nan 8.370 nan 0.000 0.493 479 A N 0.123 122.990 122.820 0.078 0.000 1.933 479 A HA -0.151 4.169 4.320 -0.000 0.000 0.218 479 A C 1.949 179.623 177.584 0.149 0.000 1.175 479 A CA 1.107 53.187 52.037 0.071 0.000 0.628 479 A CB -1.223 17.814 19.000 0.062 0.000 0.814 479 A HN 0.789 nan 8.150 nan 0.000 0.444 480 W N 1.375 122.688 121.300 0.022 0.000 2.408 480 W HA -0.182 4.478 4.660 -0.000 0.000 0.311 480 W C 2.603 179.310 176.519 0.313 0.000 1.190 480 W CA 2.141 59.578 57.345 0.153 0.000 1.321 480 W CB -0.326 29.158 29.460 0.041 0.000 1.143 480 W HN 0.510 nan 8.180 nan 0.000 0.501 481 S N 0.046 116.010 115.700 0.440 0.000 2.447 481 S HA -0.071 4.399 4.470 -0.000 0.000 0.233 481 S C 1.855 176.539 174.600 0.141 0.000 1.006 481 S CA 1.345 59.737 58.200 0.321 0.000 0.957 481 S CB -0.938 62.430 63.200 0.280 0.000 0.773 481 S HN 0.217 nan 8.310 nan 0.000 0.507 482 G N 0.813 109.643 108.800 0.050 0.000 2.650 482 G HA2 0.239 4.199 3.960 -0.000 0.000 0.214 482 G HA3 0.239 4.199 3.960 -0.000 0.000 0.214 482 G C 0.484 175.271 174.900 -0.189 0.000 1.136 482 G CA -0.347 44.715 45.100 -0.064 0.000 0.789 482 G HN 0.488 nan 8.290 nan 0.000 0.536 483 M N 0.157 119.576 119.600 -0.302 0.000 2.238 483 M HA 0.289 4.769 4.480 -0.000 0.000 0.350 483 M C -0.039 175.936 176.300 -0.542 0.000 1.321 483 M CA 0.139 55.041 55.300 -0.663 0.000 1.097 483 M CB 0.009 32.027 32.600 -0.970 0.000 1.713 483 M HN 0.232 nan 8.290 nan 0.000 0.455 484 F N -0.250 119.589 119.950 -0.185 0.000 3.091 484 F HA -0.265 4.262 4.527 -0.000 0.000 0.288 484 F C 0.434 176.338 175.800 0.173 0.000 0.907 484 F CA 0.468 58.476 58.000 0.013 0.000 1.028 484 F CB -1.827 37.147 39.000 -0.043 0.000 1.022 484 F HN 0.638 nan 8.300 nan 0.000 0.665 485 S N -0.611 115.113 115.700 0.039 0.000 2.595 485 S HA 0.848 5.318 4.470 -0.000 0.000 0.281 485 S C -0.638 173.557 174.600 -0.674 0.000 1.117 485 S CA 0.175 58.292 58.200 -0.138 0.000 0.873 485 S CB 2.369 65.557 63.200 -0.020 0.000 1.108 485 S HN 0.457 nan 8.310 nan 0.000 0.477 486 S N 1.837 116.959 115.700 -0.963 0.000 2.536 486 S HA 0.621 5.091 4.470 -0.000 0.000 0.271 486 S C -2.341 171.905 174.600 -0.589 0.000 1.134 486 S CA -1.333 56.270 58.200 -0.996 0.000 0.897 486 S CB 1.631 63.663 63.200 -1.946 0.000 1.094 486 S HN 0.559 nan 8.310 nan 0.000 0.473 487 P HA 0.015 nan 4.420 nan 0.000 0.223 487 P C 1.381 178.518 177.300 -0.273 0.000 1.144 487 P CA 0.802 63.750 63.100 -0.254 0.000 0.783 487 P CB -0.139 31.450 31.700 -0.185 0.000 0.771 488 I N -0.091 120.260 120.570 -0.365 0.000 2.454 488 I HA -0.229 3.941 4.170 -0.000 0.000 0.254 488 I C 2.396 178.403 176.117 -0.184 0.000 1.156 488 I CA 1.187 62.344 61.300 -0.238 0.000 1.433 488 I CB -0.727 37.121 38.000 -0.254 0.000 1.082 488 I HN -0.063 nan 8.210 nan 0.000 0.432 489 A N 0.924 123.590 122.820 -0.257 0.000 1.978 489 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 489 A C 2.570 179.872 177.584 -0.469 0.000 1.170 489 A CA 1.824 53.766 52.037 -0.159 0.000 0.636 489 A CB -0.644 18.357 19.000 0.002 0.000 0.810 489 A HN 0.442 nan 8.150 nan 0.000 0.448 490 A N -0.148 122.265 122.820 -0.678 0.000 1.902 490 A HA 0.176 4.495 4.320 -0.000 0.000 0.217 490 A C 2.489 179.940 177.584 -0.222 0.000 1.181 490 A CA 1.961 53.535 52.037 -0.772 0.000 0.623 490 A CB -0.952 17.840 19.000 -0.346 0.000 0.818 490 A HN 1.051 nan 8.150 nan 0.000 0.443 491 A N -0.171 122.594 122.820 -0.092 0.000 1.933 491 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 491 A C 1.901 179.510 177.584 0.042 0.000 1.175 491 A CA 1.598 53.695 52.037 0.099 0.000 0.628 491 A CB -0.482 18.595 19.000 0.128 0.000 0.814 491 A HN 0.646 nan 8.150 nan 0.000 0.444 492 E N -0.234 119.961 120.200 -0.009 0.000 2.106 492 E HA -0.078 4.272 4.350 -0.000 0.000 0.192 492 E C 2.312 178.924 176.600 0.019 0.000 0.984 492 E CA 0.840 57.246 56.400 0.011 0.000 0.806 492 E CB -0.263 29.495 29.700 0.096 0.000 0.750 492 E HN 0.625 nan 8.360 nan 0.000 0.458 493 A N 1.243 124.074 122.820 0.019 0.000 1.873 493 A HA -0.190 4.130 4.320 -0.000 0.000 0.215 493 A C 1.884 179.416 177.584 -0.086 0.000 1.186 493 A CA 1.292 53.387 52.037 0.098 0.000 0.616 493 A CB -0.991 18.156 19.000 0.244 0.000 0.823 493 A HN 0.514 nan 8.150 nan 0.000 0.442 494 W N 1.233 122.190 121.300 -0.572 0.000 2.317 494 W HA -0.196 4.464 4.660 -0.000 0.000 0.318 494 W C 1.770 177.899 176.519 -0.651 0.000 1.227 494 W CA 2.235 58.820 57.345 -1.266 0.000 1.269 494 W CB -0.187 28.521 29.460 -1.255 0.000 1.155 494 W HN 0.126 nan 8.180 nan 0.000 0.484 495 K N -0.291 119.724 120.400 -0.641 0.000 2.155 495 K HA -0.048 4.272 4.320 -0.000 0.000 0.203 495 K C 1.950 178.346 176.600 -0.341 0.000 1.052 495 K CA 1.794 57.666 56.287 -0.691 0.000 0.948 495 K CB -1.032 31.142 32.500 -0.543 0.000 0.728 495 K HN 0.209 nan 8.250 nan 0.000 0.448 496 T N 1.238 115.704 114.554 -0.147 0.000 2.777 496 T HA -0.062 4.288 4.350 -0.000 0.000 0.266 496 T C 1.832 176.527 174.700 -0.008 0.000 1.040 496 T CA 0.920 63.039 62.100 0.032 0.000 1.141 496 T CB 0.057 69.059 68.868 0.224 0.000 0.868 496 T HN 0.144 nan 8.240 nan 0.000 0.444 497 R N 0.998 121.463 120.500 -0.058 0.000 2.153 497 R HA 0.015 4.355 4.340 -0.000 0.000 0.218 497 R C 2.412 178.727 176.300 0.025 0.000 1.072 497 R CA 1.529 57.643 56.100 0.023 0.000 0.990 497 R CB -0.480 29.913 30.300 0.156 0.000 0.889 497 R HN 0.591 nan 8.270 nan 0.000 0.452 498 T N -4.516 109.960 114.554 -0.130 0.000 2.975 498 T HA 0.491 4.841 4.350 -0.000 0.000 0.257 498 T C 0.969 175.572 174.700 -0.162 0.000 1.003 498 T CA 0.243 62.278 62.100 -0.109 0.000 0.932 498 T CB 0.713 69.500 68.868 -0.136 0.000 1.087 498 T HN 0.129 nan 8.240 nan 0.000 0.512 499 A N 0.715 123.404 122.820 -0.219 0.000 2.597 499 A HA 0.895 5.215 4.320 -0.000 0.000 0.191 499 A C -0.810 176.688 177.584 -0.143 0.000 1.336 499 A CA 0.103 52.022 52.037 -0.197 0.000 1.516 499 A CB 0.845 19.661 19.000 -0.307 0.000 1.849 499 A HN 0.848 nan 8.150 nan 0.000 0.640 500 V N -0.958 118.860 119.914 -0.160 0.000 3.000 500 V HA 0.700 4.820 4.120 -0.000 0.000 0.300 500 V C -1.452 174.563 176.094 -0.133 0.000 1.251 500 V CA 0.195 62.424 62.300 -0.118 0.000 0.972 500 V CB 1.462 33.198 31.823 -0.145 0.000 1.065 500 V HN 1.908 nan 8.190 nan 0.000 0.431 501 A N 6.747 129.536 122.820 -0.053 0.000 2.498 501 A HA 0.961 5.280 4.320 -0.000 0.000 0.298 501 A C -1.047 176.489 177.584 -0.080 0.000 1.075 501 A CA -0.780 51.207 52.037 -0.083 0.000 0.714 501 A CB 2.139 21.125 19.000 -0.023 0.000 1.299 501 A HN 0.915 nan 8.150 nan 0.000 0.407 502 M N 2.048 121.528 119.600 -0.200 0.000 2.078 502 M HA 0.395 4.875 4.480 -0.000 0.000 0.320 502 M C -1.730 174.510 176.300 -0.099 0.000 0.969 502 M CA -0.014 55.158 55.300 -0.213 0.000 0.929 502 M CB 1.102 33.404 32.600 -0.496 0.000 1.504 502 M HN 0.695 nan 8.290 nan 0.000 0.419 503 Y N 0.643 120.958 120.300 0.026 0.000 2.361 503 Y HA 0.262 4.812 4.550 -0.000 0.000 0.332 503 Y C 0.260 176.249 175.900 0.149 0.000 1.101 503 Y CA -0.616 57.580 58.100 0.161 0.000 1.137 503 Y CB 1.050 39.664 38.460 0.256 0.000 1.207 503 Y HN 0.476 nan 8.280 nan 0.000 0.463 504 D N 3.416 124.051 120.400 0.391 0.000 2.411 504 D HA 0.125 4.765 4.640 -0.000 0.000 0.225 504 D C 0.135 176.554 176.300 0.198 0.000 1.156 504 D CA -0.058 54.187 54.000 0.408 0.000 0.874 504 D CB 0.641 41.792 40.800 0.585 0.000 1.034 504 D HN 0.426 nan 8.370 nan 0.000 0.502 505 M N 2.448 122.130 119.600 0.137 0.000 2.494 505 M HA 0.007 4.487 4.480 -0.000 0.000 0.232 505 M C 1.520 177.799 176.300 -0.035 0.000 1.137 505 M CA 0.127 55.443 55.300 0.027 0.000 1.012 505 M CB -0.526 32.100 32.600 0.043 0.000 1.567 505 M HN 0.233 nan 8.290 nan 0.000 0.486 506 T N 1.966 116.493 114.554 -0.045 0.000 2.699 506 T HA -0.098 4.251 4.350 -0.000 0.000 0.268 506 T C -0.818 173.551 174.700 -0.552 0.000 1.036 506 T CA 1.554 63.520 62.100 -0.223 0.000 1.147 506 T CB -1.178 67.523 68.868 -0.278 0.000 0.862 506 T HN 0.268 nan 8.240 nan 0.000 0.446 507 P HA 0.109 nan 4.420 nan 0.000 0.230 507 P C 0.335 177.396 177.300 -0.399 0.000 1.158 507 P CA 0.066 62.531 63.100 -1.059 0.000 0.769 507 P CB -0.196 30.976 31.700 -0.879 0.000 0.807 508 L N 0.413 121.534 121.223 -0.171 0.000 2.584 508 L HA 0.036 4.376 4.340 -0.000 0.000 0.272 508 L C 0.556 177.459 176.870 0.054 0.000 1.195 508 L CA -0.299 54.550 54.840 0.016 0.000 0.920 508 L CB -0.435 41.701 42.059 0.128 0.000 1.173 508 L HN -0.261 nan 8.230 nan 0.000 0.489 509 K N 4.901 125.354 120.400 0.088 0.000 2.491 509 K HA 0.007 4.327 4.320 -0.000 0.000 0.279 509 K C -0.423 176.234 176.600 0.094 0.000 1.026 509 K CA 0.769 57.121 56.287 0.108 0.000 1.070 509 K CB 0.119 32.688 32.500 0.115 0.000 0.887 509 K HN 0.682 nan 8.250 nan 0.000 0.481 510 R N 4.931 125.482 120.500 0.085 0.000 2.451 510 R HA 0.408 4.748 4.340 -0.000 0.000 0.307 510 R C -1.218 175.088 176.300 0.010 0.000 0.965 510 R CA -0.454 55.672 56.100 0.044 0.000 0.865 510 R CB 0.594 30.936 30.300 0.070 0.000 1.174 510 R HN 0.591 nan 8.270 nan 0.000 0.455 511 L N 2.787 123.981 121.223 -0.049 0.000 2.341 511 L HA 0.507 4.847 4.340 -0.000 0.000 0.278 511 L C -0.233 176.573 176.870 -0.107 0.000 1.005 511 L CA -0.762 54.026 54.840 -0.086 0.000 0.818 511 L CB 2.038 43.990 42.059 -0.178 0.000 1.259 511 L HN 0.583 nan 8.230 nan 0.000 0.418 512 E N 2.632 122.789 120.200 -0.071 0.000 2.134 512 E HA 0.442 4.792 4.350 -0.000 0.000 0.278 512 E C -1.537 175.033 176.600 -0.050 0.000 0.959 512 E CA -0.591 55.778 56.400 -0.053 0.000 0.783 512 E CB 1.826 31.512 29.700 -0.023 0.000 1.095 512 E HN 0.339 nan 8.360 nan 0.000 0.399 513 V N 4.391 124.283 119.914 -0.037 0.000 2.357 513 V HA 0.358 4.478 4.120 -0.000 0.000 0.284 513 V C -0.182 175.958 176.094 0.076 0.000 1.018 513 V CA -0.434 61.848 62.300 -0.030 0.000 0.841 513 V CB 1.122 32.862 31.823 -0.138 0.000 0.991 513 V HN 0.735 nan 8.190 nan 0.000 0.437 514 S N 3.050 118.786 115.700 0.061 0.000 2.618 514 S HA 1.020 5.490 4.470 -0.000 0.000 0.277 514 S C -0.262 174.329 174.600 -0.015 0.000 1.138 514 S CA -0.161 58.073 58.200 0.058 0.000 0.844 514 S CB 2.215 65.456 63.200 0.067 0.000 1.127 514 S HN 2.153 nan 8.310 nan 0.000 0.474 515 G N 1.165 109.860 108.800 -0.175 0.000 2.497 515 G HA2 0.117 4.077 3.960 -0.000 0.000 0.686 515 G HA3 0.117 4.077 3.960 -0.000 0.000 0.686 515 G C -2.588 171.954 174.900 -0.596 0.000 1.288 515 G CA -0.247 44.432 45.100 -0.702 0.000 0.899 515 G HN 0.615 nan 8.290 nan 0.000 0.608 516 P HA 0.003 nan 4.420 nan 0.000 0.222 516 P C 1.540 178.643 177.300 -0.329 0.000 1.147 516 P CA 1.865 64.668 63.100 -0.495 0.000 0.790 516 P CB -0.001 31.381 31.700 -0.530 0.000 0.780 517 G N -0.587 107.997 108.800 -0.360 0.000 3.141 517 G HA2 0.213 4.173 3.960 -0.000 0.000 0.218 517 G HA3 0.213 4.173 3.960 -0.000 0.000 0.218 517 G C 1.532 176.359 174.900 -0.122 0.000 1.170 517 G CA 0.520 45.513 45.100 -0.179 0.000 0.769 517 G HN 0.279 nan 8.290 nan 0.000 0.546 518 A N 0.919 123.672 122.820 -0.112 0.000 1.877 518 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 518 A C 2.237 179.688 177.584 -0.223 0.000 1.186 518 A CA 1.564 53.549 52.037 -0.088 0.000 0.620 518 A CB -0.415 18.637 19.000 0.087 0.000 0.822 518 A HN 0.468 nan 8.150 nan 0.000 0.443 519 L N 0.190 121.356 121.223 -0.094 0.000 2.012 519 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 519 L C 2.349 179.128 176.870 -0.152 0.000 1.073 519 L CA 2.810 57.545 54.840 -0.176 0.000 0.748 519 L CB -0.603 41.511 42.059 0.091 0.000 0.891 519 L HN 0.498 nan 8.230 nan 0.000 0.431 520 K N -0.822 119.528 120.400 -0.084 0.000 2.032 520 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 520 K C 2.197 178.759 176.600 -0.064 0.000 1.048 520 K CA 2.089 58.342 56.287 -0.057 0.000 0.927 520 K CB -0.423 32.054 32.500 -0.039 0.000 0.712 520 K HN 0.344 nan 8.250 nan 0.000 0.441 521 L N 1.521 122.695 121.223 -0.082 0.000 2.012 521 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 521 L C 2.070 178.902 176.870 -0.064 0.000 1.073 521 L CA 1.589 56.394 54.840 -0.059 0.000 0.748 521 L CB -0.334 41.696 42.059 -0.048 0.000 0.891 521 L HN 0.246 nan 8.230 nan 0.000 0.431 522 L N -1.132 120.000 121.223 -0.153 0.000 2.141 522 L HA -0.163 4.177 4.340 -0.000 0.000 0.209 522 L C 2.646 179.449 176.870 -0.111 0.000 1.094 522 L CA 0.643 55.387 54.840 -0.159 0.000 0.763 522 L CB -0.713 41.103 42.059 -0.406 0.000 0.908 522 L HN 0.349 nan 8.230 nan 0.000 0.437 523 Q N -0.077 119.660 119.800 -0.106 0.000 2.124 523 Q HA -0.245 4.095 4.340 -0.000 0.000 0.202 523 Q C 2.071 178.080 176.000 0.015 0.000 0.977 523 Q CA 1.512 57.288 55.803 -0.044 0.000 0.850 523 Q CB -0.044 28.680 28.738 -0.024 0.000 0.901 523 Q HN 0.426 nan 8.270 nan 0.000 0.429 524 E N 0.389 120.600 120.200 0.018 0.000 2.122 524 E HA -0.011 4.339 4.350 -0.000 0.000 0.190 524 E C 1.888 178.531 176.600 0.072 0.000 0.977 524 E CA 0.535 56.971 56.400 0.061 0.000 0.820 524 E CB -0.036 29.687 29.700 0.039 0.000 0.770 524 E HN 0.268 nan 8.360 nan 0.000 0.462 525 L N 0.332 121.573 121.223 0.031 0.000 2.270 525 L HA 0.114 4.454 4.340 -0.000 0.000 0.210 525 L C 1.282 178.168 176.870 0.027 0.000 1.104 525 L CA 0.949 55.806 54.840 0.030 0.000 0.804 525 L CB -0.497 41.561 42.059 -0.002 0.000 0.937 525 L HN 0.148 nan 8.230 nan 0.000 0.450 526 T N -4.336 110.211 114.554 -0.012 0.000 2.937 526 T HA 0.219 4.569 4.350 -0.000 0.000 0.283 526 T C 0.917 175.462 174.700 -0.258 0.000 1.012 526 T CA -0.021 62.019 62.100 -0.100 0.000 0.997 526 T CB 1.600 70.406 68.868 -0.103 0.000 1.136 526 T HN 0.118 nan 8.240 nan 0.000 0.551 527 T N -2.030 112.280 114.554 -0.407 0.000 3.122 527 T HA 0.532 4.882 4.350 -0.000 0.000 0.250 527 T C 0.573 174.923 174.700 -0.583 0.000 1.067 527 T CA -0.215 61.403 62.100 -0.803 0.000 0.966 527 T CB -0.436 68.047 68.868 -0.642 0.000 1.002 527 T HN 0.958 nan 8.240 nan 0.000 0.542 528 A N 0.969 123.588 122.820 -0.336 0.000 2.337 528 A HA 0.603 4.922 4.320 -0.000 0.000 0.331 528 A C -0.552 176.956 177.584 -0.127 0.000 1.137 528 A CA -0.763 51.160 52.037 -0.190 0.000 0.807 528 A CB 0.954 19.888 19.000 -0.110 0.000 1.250 528 A HN 0.254 nan 8.150 nan 0.000 0.468 529 D N 1.893 122.253 120.400 -0.066 0.000 2.374 529 D HA 0.272 4.912 4.640 -0.000 0.000 0.240 529 D C 0.358 176.660 176.300 0.003 0.000 1.229 529 D CA 0.052 54.040 54.000 -0.020 0.000 0.895 529 D CB 0.240 41.043 40.800 0.005 0.000 1.046 529 D HN 0.385 nan 8.370 nan 0.000 0.498 530 L N 2.547 123.771 121.223 0.003 0.000 2.592 530 L HA 0.238 4.578 4.340 -0.000 0.000 0.227 530 L C 1.225 178.153 176.870 0.098 0.000 1.127 530 L CA -0.230 54.638 54.840 0.046 0.000 0.884 530 L CB 0.074 42.128 42.059 -0.007 0.000 1.065 530 L HN 0.369 nan 8.230 nan 0.000 0.457 531 A N 1.220 124.079 122.820 0.065 0.000 2.990 531 A HA 0.352 4.672 4.320 -0.000 0.000 0.282 531 A C 0.093 177.715 177.584 0.064 0.000 1.688 531 A CA 0.077 52.158 52.037 0.073 0.000 1.391 531 A CB -0.516 18.513 19.000 0.048 0.000 1.112 531 A HN 0.233 nan 8.150 nan 0.000 0.588 532 K N 0.787 121.233 120.400 0.077 0.000 2.435 532 K HA 0.640 4.960 4.320 -0.000 0.000 0.251 532 K C 0.226 176.846 176.600 0.035 0.000 0.954 532 K CA -0.653 55.666 56.287 0.054 0.000 0.820 532 K CB 1.505 34.043 32.500 0.063 0.000 1.292 532 K HN 0.403 nan 8.250 nan 0.000 0.436 533 K N 1.595 122.005 120.400 0.016 0.000 2.414 533 K HA 0.171 4.491 4.320 -0.000 0.000 0.272 533 K C -2.550 174.032 176.600 -0.029 0.000 0.993 533 K CA -1.056 55.225 56.287 -0.009 0.000 0.964 533 K CB -1.043 31.453 32.500 -0.007 0.000 0.925 533 K HN 0.331 nan 8.250 nan 0.000 0.487 534 P HA 0.156 nan 4.420 nan 0.000 0.265 534 P C 0.996 178.256 177.300 -0.067 0.000 1.187 534 P CA 1.686 64.722 63.100 -0.107 0.000 0.766 534 P CB 0.765 32.387 31.700 -0.129 0.000 0.820 535 G N 1.042 109.803 108.800 -0.065 0.000 2.253 535 G HA2 -0.084 3.876 3.960 -0.000 0.000 0.209 535 G HA3 -0.084 3.876 3.960 -0.000 0.000 0.209 535 G C 0.302 175.202 174.900 0.000 0.000 0.997 535 G CA -0.048 45.033 45.100 -0.033 0.000 0.640 535 G HN 0.831 nan 8.290 nan 0.000 0.496 536 A N 0.456 123.284 122.820 0.013 0.000 2.401 536 A HA 0.704 5.024 4.320 -0.000 0.000 0.259 536 A C 0.289 177.913 177.584 0.067 0.000 1.103 536 A CA 0.241 52.312 52.037 0.057 0.000 0.789 536 A CB 1.031 20.074 19.000 0.071 0.000 1.035 536 A HN 1.128 nan 8.150 nan 0.000 0.491 537 V N 2.547 122.518 119.914 0.095 0.000 2.483 537 V HA 0.601 4.721 4.120 -0.000 0.000 0.295 537 V C 0.164 176.418 176.094 0.267 0.000 1.035 537 V CA -0.278 62.079 62.300 0.095 0.000 0.896 537 V CB 1.675 33.448 31.823 -0.084 0.000 0.986 537 V HN 0.939 nan 8.190 nan 0.000 0.447 538 T N 3.925 118.620 114.554 0.236 0.000 2.881 538 T HA 0.410 4.760 4.350 -0.000 0.000 0.290 538 T C -1.111 173.762 174.700 0.289 0.000 1.000 538 T CA -0.366 61.894 62.100 0.268 0.000 0.978 538 T CB 1.160 70.108 68.868 0.133 0.000 0.997 538 T HN 0.540 nan 8.240 nan 0.000 0.443 539 Y N 2.598 123.040 120.300 0.237 0.000 2.336 539 Y HA 0.583 5.133 4.550 -0.000 0.000 0.335 539 Y C 0.337 176.253 175.900 0.027 0.000 1.046 539 Y CA 0.272 58.461 58.100 0.148 0.000 1.198 539 Y CB 0.948 39.523 38.460 0.192 0.000 1.182 539 Y HN 0.699 nan 8.280 nan 0.000 0.502 540 T N 5.999 120.262 114.554 -0.485 0.000 2.792 540 T HA 0.582 4.931 4.350 -0.000 0.000 0.303 540 T C -1.640 172.764 174.700 -0.493 0.000 1.310 540 T CA -0.776 61.081 62.100 -0.406 0.000 1.007 540 T CB 0.667 69.408 68.868 -0.212 0.000 1.335 540 T HN 0.621 nan 8.240 nan 0.000 0.504 541 L N 2.289 123.290 121.223 -0.369 0.000 2.330 541 L HA 0.651 4.991 4.340 -0.000 0.000 0.271 541 L C -0.654 176.092 176.870 -0.206 0.000 1.013 541 L CA -1.143 53.519 54.840 -0.296 0.000 0.816 541 L CB 1.624 43.524 42.059 -0.265 0.000 1.287 541 L HN 0.447 nan 8.230 nan 0.000 0.435 542 L N 3.587 124.697 121.223 -0.188 0.000 2.272 542 L HA 0.525 4.865 4.340 -0.000 0.000 0.289 542 L C -0.414 176.351 176.870 -0.174 0.000 1.032 542 L CA -0.322 54.417 54.840 -0.168 0.000 0.810 542 L CB 1.314 43.228 42.059 -0.240 0.000 1.205 542 L HN 0.405 nan 8.230 nan 0.000 0.422 543 L N 1.688 122.846 121.223 -0.109 0.000 2.332 543 L HA 0.510 4.850 4.340 -0.000 0.000 0.269 543 L C -0.257 176.526 176.870 -0.146 0.000 1.016 543 L CA -1.022 53.764 54.840 -0.089 0.000 0.809 543 L CB 1.592 43.652 42.059 0.002 0.000 1.280 543 L HN 0.563 nan 8.230 nan 0.000 0.447 544 D N -2.535 117.789 120.400 -0.126 0.000 2.466 544 D HA 0.085 4.725 4.640 -0.000 0.000 0.262 544 D C 0.820 177.050 176.300 -0.116 0.000 1.177 544 D CA -0.356 53.561 54.000 -0.139 0.000 1.035 544 D CB 0.399 41.155 40.800 -0.073 0.000 1.105 544 D HN 0.376 nan 8.370 nan 0.000 0.551 545 H N -0.590 118.487 119.070 0.011 0.000 2.518 545 H HA 0.039 4.595 4.556 -0.000 0.000 0.289 545 H C 1.208 176.534 175.328 -0.002 0.000 1.051 545 H CA 1.281 57.333 56.048 0.006 0.000 1.280 545 H CB 0.088 29.855 29.762 0.008 0.000 1.380 545 H HN 0.571 nan 8.280 nan 0.000 0.566 546 A N -0.123 122.746 122.820 0.082 0.000 2.275 546 A HA 0.338 4.658 4.320 -0.000 0.000 0.212 546 A C 1.979 179.587 177.584 0.041 0.000 1.201 546 A CA 0.762 52.828 52.037 0.048 0.000 0.843 546 A CB -0.042 18.973 19.000 0.025 0.000 0.873 546 A HN 0.442 nan 8.150 nan 0.000 0.492 547 G N -1.527 107.296 108.800 0.037 0.000 2.159 547 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.256 547 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.256 547 G C 0.707 175.629 174.900 0.036 0.000 0.977 547 G CA 0.265 45.396 45.100 0.051 0.000 0.652 547 G HN 1.392 nan 8.290 nan 0.000 0.531 548 G N -0.756 108.054 108.800 0.017 0.000 2.467 548 G HA2 0.553 4.513 3.960 -0.000 0.000 0.257 548 G HA3 0.553 4.513 3.960 -0.000 0.000 0.257 548 G C 0.251 175.170 174.900 0.032 0.000 1.227 548 G CA 0.156 45.267 45.100 0.019 0.000 0.835 548 G HN 0.941 nan 8.290 nan 0.000 0.556 549 V N 3.377 123.349 119.914 0.096 0.000 2.387 549 V HA 0.115 4.235 4.120 -0.000 0.000 0.260 549 V C 1.518 177.760 176.094 0.246 0.000 1.054 549 V CA -0.168 62.215 62.300 0.138 0.000 0.967 549 V CB 0.558 32.508 31.823 0.211 0.000 1.036 549 V HN 0.857 nan 8.190 nan 0.000 0.481 550 R N 2.163 122.649 120.500 -0.024 0.000 2.115 550 R HA 0.086 4.426 4.340 -0.000 0.000 0.226 550 R C 0.740 176.577 176.300 -0.772 0.000 1.100 550 R CA 0.808 56.761 56.100 -0.246 0.000 0.980 550 R CB 0.186 30.197 30.300 -0.482 0.000 0.875 550 R HN 0.616 nan 8.270 nan 0.000 0.445 551 S N 0.017 115.349 115.700 -0.613 0.000 2.586 551 S HA 0.079 4.549 4.470 -0.000 0.000 0.277 551 S C -2.335 172.088 174.600 -0.294 0.000 1.131 551 S CA -1.039 56.692 58.200 -0.782 0.000 0.848 551 S CB 1.416 64.240 63.200 -0.627 0.000 1.091 551 S HN 0.274 nan 8.310 nan 0.000 0.453 552 D N 2.843 123.153 120.400 -0.149 0.000 2.278 552 D HA 0.630 5.270 4.640 -0.000 0.000 0.245 552 D C 0.089 176.291 176.300 -0.163 0.000 1.052 552 D CA -0.475 53.404 54.000 -0.201 0.000 0.834 552 D CB 1.041 41.785 40.800 -0.093 0.000 1.194 552 D HN 0.707 nan 8.370 nan 0.000 0.481 553 I N -1.980 118.432 120.570 -0.264 0.000 3.042 553 I HA 0.689 4.859 4.170 -0.000 0.000 0.310 553 I C -0.612 175.453 176.117 -0.086 0.000 1.117 553 I CA -0.963 60.281 61.300 -0.093 0.000 1.003 553 I CB 2.503 40.489 38.000 -0.023 0.000 1.228 553 I HN 0.330 nan 8.210 nan 0.000 0.443 554 T N 0.906 115.476 114.554 0.027 0.000 2.824 554 T HA 0.735 5.085 4.350 -0.000 0.000 0.280 554 T C -0.514 174.199 174.700 0.021 0.000 0.995 554 T CA -0.708 61.428 62.100 0.060 0.000 1.009 554 T CB 1.704 70.617 68.868 0.076 0.000 0.955 554 T HN 0.476 nan 8.240 nan 0.000 0.452 555 V N 1.999 121.937 119.914 0.039 0.000 2.444 555 V HA 0.741 4.861 4.120 -0.000 0.000 0.294 555 V C 0.070 176.214 176.094 0.084 0.000 1.022 555 V CA -0.941 61.388 62.300 0.048 0.000 0.850 555 V CB 1.218 33.067 31.823 0.043 0.000 0.992 555 V HN 1.275 nan 8.190 nan 0.000 0.426 556 A N 5.077 127.935 122.820 0.064 0.000 2.287 556 A HA 0.707 5.027 4.320 -0.000 0.000 0.317 556 A C -0.093 177.500 177.584 0.014 0.000 1.220 556 A CA -0.719 51.333 52.037 0.025 0.000 0.835 556 A CB 0.670 19.641 19.000 -0.049 0.000 1.180 556 A HN 0.824 nan 8.150 nan 0.000 0.500 557 R N 3.426 123.903 120.500 -0.038 0.000 2.242 557 R HA 0.382 4.722 4.340 -0.000 0.000 0.334 557 R C -0.110 176.005 176.300 -0.308 0.000 1.071 557 R CA -0.300 55.593 56.100 -0.344 0.000 0.922 557 R CB 0.144 30.258 30.300 -0.311 0.000 1.023 557 R HN 0.840 nan 8.270 nan 0.000 0.458 558 L N 2.230 123.240 121.223 -0.354 0.000 2.307 558 L HA 0.110 4.450 4.340 -0.000 0.000 0.211 558 L C 0.709 177.447 176.870 -0.220 0.000 1.099 558 L CA 0.341 55.046 54.840 -0.225 0.000 0.816 558 L CB -0.069 41.886 42.059 -0.173 0.000 0.952 558 L HN 0.696 nan 8.230 nan 0.000 0.455 559 S N -2.655 112.861 115.700 -0.307 0.000 2.724 559 S HA 0.116 4.586 4.470 -0.000 0.000 0.278 559 S C 0.450 174.868 174.600 -0.302 0.000 1.190 559 S CA -0.626 57.432 58.200 -0.235 0.000 0.860 559 S CB 1.686 64.789 63.200 -0.161 0.000 1.206 559 S HN 0.093 nan 8.310 nan 0.000 0.507 560 E N 0.145 120.230 120.200 -0.191 0.000 2.085 560 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 560 E C -0.017 176.482 176.600 -0.168 0.000 0.994 560 E CA 1.772 58.078 56.400 -0.157 0.000 0.801 560 E CB -0.114 29.534 29.700 -0.087 0.000 0.743 560 E HN 0.596 nan 8.360 nan 0.000 0.453 561 D N -0.476 119.828 120.400 -0.160 0.000 2.501 561 D HA 0.140 4.779 4.640 -0.000 0.000 0.224 561 D C -0.976 175.275 176.300 -0.081 0.000 1.202 561 D CA 0.173 54.118 54.000 -0.091 0.000 0.829 561 D CB 1.291 42.026 40.800 -0.110 0.000 1.023 561 D HN -0.081 nan 8.370 nan 0.000 0.499 562 T N 0.452 114.858 114.554 -0.246 0.000 2.881 562 T HA 0.477 4.827 4.350 -0.000 0.000 0.291 562 T C -0.743 173.723 174.700 -0.391 0.000 0.990 562 T CA -0.440 61.556 62.100 -0.174 0.000 0.976 562 T CB 1.054 69.841 68.868 -0.134 0.000 0.970 562 T HN -0.219 nan 8.240 nan 0.000 0.438 563 F N 1.867 121.759 119.950 -0.097 0.000 2.540 563 F HA 0.536 5.063 4.527 -0.000 0.000 0.317 563 F C 0.311 176.028 175.800 -0.137 0.000 1.104 563 F CA -0.987 56.947 58.000 -0.111 0.000 0.913 563 F CB 2.132 41.061 39.000 -0.118 0.000 1.170 563 F HN 0.358 nan 8.300 nan 0.000 0.450 564 Q N 3.136 122.944 119.800 0.013 0.000 2.322 564 Q HA 0.628 4.968 4.340 -0.000 0.000 0.265 564 Q C -1.876 174.074 176.000 -0.083 0.000 0.985 564 Q CA -0.852 54.901 55.803 -0.084 0.000 0.849 564 Q CB 1.344 29.972 28.738 -0.185 0.000 1.274 564 Q HN 0.608 nan 8.270 nan 0.000 0.449 565 L N 2.628 123.782 121.223 -0.116 0.000 2.317 565 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 565 L C 0.286 177.119 176.870 -0.062 0.000 1.024 565 L CA -0.173 54.601 54.840 -0.111 0.000 0.810 565 L CB 1.981 43.905 42.059 -0.224 0.000 1.240 565 L HN 0.719 nan 8.230 nan 0.000 0.427 566 G N 1.360 110.159 108.800 -0.001 0.000 2.335 566 G HA2 0.710 4.670 3.960 -0.000 0.000 0.314 566 G HA3 0.710 4.670 3.960 -0.000 0.000 0.314 566 G C -0.688 174.262 174.900 0.083 0.000 1.129 566 G CA 0.127 45.272 45.100 0.076 0.000 0.912 566 G HN 0.840 nan 8.290 nan 0.000 0.443 567 A N 2.532 125.408 122.820 0.093 0.000 2.470 567 A HA 0.709 5.029 4.320 -0.000 0.000 0.271 567 A C 0.756 178.405 177.584 0.107 0.000 1.269 567 A CA -0.787 51.303 52.037 0.089 0.000 0.828 567 A CB 1.012 20.069 19.000 0.095 0.000 1.374 567 A HN 0.479 nan 8.150 nan 0.000 0.454 568 N N -0.667 118.068 118.700 0.060 0.000 2.254 568 N HA 0.339 5.079 4.740 -0.000 0.000 0.190 568 N C 0.453 176.029 175.510 0.111 0.000 1.107 568 N CA 1.099 54.211 53.050 0.104 0.000 0.869 568 N CB 1.299 39.836 38.487 0.084 0.000 0.983 568 N HN 1.015 nan 8.380 nan 0.000 0.487 569 G N 0.353 109.198 108.800 0.075 0.000 2.345 569 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.285 569 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.285 569 G C -0.440 174.505 174.900 0.075 0.000 1.297 569 G CA -0.531 44.626 45.100 0.094 0.000 0.875 569 G HN -0.089 nan 8.290 nan 0.000 0.506 570 N N -0.524 118.221 118.700 0.076 0.000 2.494 570 N HA 0.120 4.860 4.740 -0.000 0.000 0.182 570 N C 2.247 177.791 175.510 0.057 0.000 1.076 570 N CA 0.379 53.475 53.050 0.076 0.000 0.908 570 N CB -0.126 38.411 38.487 0.083 0.000 0.967 570 N HN 0.480 nan 8.380 nan 0.000 0.449 571 I N 0.341 120.924 120.570 0.022 0.000 2.226 571 I HA -0.238 3.932 4.170 -0.000 0.000 0.245 571 I C 1.366 177.474 176.117 -0.015 0.000 1.100 571 I CA 1.028 62.322 61.300 -0.009 0.000 1.374 571 I CB -0.091 37.878 38.000 -0.053 0.000 1.057 571 I HN 0.007 nan 8.210 nan 0.000 0.413 572 D N 0.520 120.904 120.400 -0.026 0.000 2.097 572 D HA -0.137 4.502 4.640 -0.000 0.000 0.195 572 D C 2.235 178.683 176.300 0.246 0.000 0.989 572 D CA 1.610 55.645 54.000 0.058 0.000 0.827 572 D CB -0.466 40.391 40.800 0.095 0.000 0.966 572 D HN 0.251 nan 8.370 nan 0.000 0.456 573 T N 0.813 115.483 114.554 0.193 0.000 2.684 573 T HA -0.157 4.192 4.350 -0.000 0.000 0.267 573 T C 2.027 176.828 174.700 0.168 0.000 1.036 573 T CA 1.742 63.961 62.100 0.198 0.000 1.148 573 T CB -0.371 68.571 68.868 0.123 0.000 0.863 573 T HN 0.208 nan 8.240 nan 0.000 0.436 574 A N 0.391 123.280 122.820 0.116 0.000 1.930 574 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 574 A C 2.110 179.737 177.584 0.072 0.000 1.175 574 A CA 1.446 53.529 52.037 0.078 0.000 0.627 574 A CB -0.952 18.087 19.000 0.065 0.000 0.815 574 A HN 0.581 nan 8.150 nan 0.000 0.443 575 Y N -0.603 119.651 120.300 -0.078 0.000 2.181 575 Y HA -0.182 4.368 4.550 -0.000 0.000 0.288 575 Y C 1.881 177.661 175.900 -0.201 0.000 1.146 575 Y CA 1.652 59.640 58.100 -0.187 0.000 1.164 575 Y CB -0.543 37.726 38.460 -0.318 0.000 0.982 575 Y HN 0.295 nan 8.280 nan 0.000 0.515 576 F N 0.502 120.394 119.950 -0.097 0.000 2.186 576 F HA -0.139 4.388 4.527 -0.000 0.000 0.299 576 F C 2.336 178.036 175.800 -0.166 0.000 1.090 576 F CA 1.595 59.484 58.000 -0.184 0.000 1.307 576 F CB -0.264 38.692 39.000 -0.073 0.000 1.019 576 F HN 0.067 nan 8.300 nan 0.000 0.489 577 E N 0.008 120.250 120.200 0.071 0.000 2.051 577 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 577 E C 2.232 178.778 176.600 -0.089 0.000 0.991 577 E CA 1.191 57.596 56.400 0.008 0.000 0.799 577 E CB -0.195 29.514 29.700 0.015 0.000 0.748 577 E HN 0.296 nan 8.360 nan 0.000 0.449 578 R N 0.643 121.042 120.500 -0.169 0.000 2.075 578 R HA -0.077 4.263 4.340 -0.000 0.000 0.232 578 R C 2.216 178.254 176.300 -0.437 0.000 1.126 578 R CA 1.251 57.151 56.100 -0.334 0.000 0.963 578 R CB -0.176 29.921 30.300 -0.339 0.000 0.858 578 R HN 0.132 nan 8.270 nan 0.000 0.435 579 A N 0.829 123.433 122.820 -0.360 0.000 1.933 579 A HA -0.061 4.259 4.320 -0.000 0.000 0.218 579 A C 2.368 179.881 177.584 -0.119 0.000 1.175 579 A CA 1.560 53.426 52.037 -0.286 0.000 0.628 579 A CB -0.755 17.983 19.000 -0.437 0.000 0.814 579 A HN 0.548 nan 8.150 nan 0.000 0.444 580 A N -0.222 122.553 122.820 -0.075 0.000 1.902 580 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 580 A C 2.253 179.851 177.584 0.025 0.000 1.181 580 A CA 1.777 53.816 52.037 0.003 0.000 0.623 580 A CB -0.482 18.538 19.000 0.033 0.000 0.818 580 A HN 0.564 nan 8.150 nan 0.000 0.443 581 R N -1.166 119.324 120.500 -0.017 0.000 2.075 581 R HA -0.151 4.189 4.340 -0.000 0.000 0.232 581 R C 2.033 178.407 176.300 0.123 0.000 1.126 581 R CA 1.751 57.869 56.100 0.030 0.000 0.963 581 R CB -0.474 29.817 30.300 -0.015 0.000 0.858 581 R HN 0.791 nan 8.270 nan 0.000 0.435 582 H N -0.664 118.408 119.070 0.003 0.000 2.353 582 H HA -0.145 4.411 4.556 -0.000 0.000 0.300 582 H C 2.216 177.552 175.328 0.013 0.000 1.090 582 H CA 1.364 57.414 56.048 0.004 0.000 1.327 582 H CB 0.120 29.878 29.762 -0.007 0.000 1.383 582 H HN 0.373 nan 8.280 nan 0.000 0.508 583 Q N 0.529 120.412 119.800 0.139 0.000 2.084 583 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 583 Q C 1.931 177.986 176.000 0.092 0.000 0.978 583 Q CA 1.926 57.780 55.803 0.086 0.000 0.844 583 Q CB 0.123 28.892 28.738 0.052 0.000 0.898 583 Q HN 0.335 nan 8.270 nan 0.000 0.426 584 T N 0.885 115.507 114.554 0.112 0.000 2.708 584 T HA -0.185 4.165 4.350 -0.000 0.000 0.266 584 T C 1.713 176.479 174.700 0.110 0.000 1.037 584 T CA 1.625 63.809 62.100 0.140 0.000 1.146 584 T CB -0.191 68.771 68.868 0.157 0.000 0.865 584 T HN 0.411 nan 8.240 nan 0.000 0.435 585 Q N 0.818 120.676 119.800 0.096 0.000 2.170 585 Q HA -0.071 4.269 4.340 -0.000 0.000 0.203 585 Q C 2.412 178.441 176.000 0.049 0.000 0.976 585 Q CA 1.588 57.432 55.803 0.068 0.000 0.858 585 Q CB -0.097 28.684 28.738 0.071 0.000 0.907 585 Q HN 0.612 nan 8.270 nan 0.000 0.433 586 S N -1.252 114.477 115.700 0.049 0.000 2.540 586 S HA 0.233 4.702 4.470 -0.000 0.000 0.218 586 S C 0.667 175.289 174.600 0.037 0.000 0.977 586 S CA -0.174 58.043 58.200 0.029 0.000 0.918 586 S CB 0.776 63.984 63.200 0.013 0.000 0.806 586 S HN 0.255 nan 8.310 nan 0.000 0.496 587 G N 1.473 110.306 108.800 0.055 0.000 2.613 587 G HA2 0.571 4.531 3.960 -0.000 0.000 0.303 587 G HA3 0.571 4.531 3.960 -0.000 0.000 0.303 587 G C -0.075 174.864 174.900 0.065 0.000 1.312 587 G CA -0.220 44.914 45.100 0.056 0.000 1.036 587 G HN 0.480 nan 8.290 nan 0.000 0.513 588 S N -1.296 114.442 115.700 0.063 0.000 2.646 588 S HA 0.494 4.964 4.470 -0.000 0.000 0.273 588 S C 1.844 176.515 174.600 0.118 0.000 1.168 588 S CA 0.433 58.675 58.200 0.071 0.000 1.013 588 S CB 0.989 64.219 63.200 0.050 0.000 1.098 588 S HN 1.340 nan 8.310 nan 0.000 0.544 589 A N 0.340 123.234 122.820 0.122 0.000 2.125 589 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 589 A C 2.039 179.759 177.584 0.227 0.000 1.156 589 A CA 1.727 53.881 52.037 0.194 0.000 0.671 589 A CB -1.470 17.611 19.000 0.136 0.000 0.794 589 A HN 1.143 nan 8.150 nan 0.000 0.459 590 T N -5.011 109.597 114.554 0.090 0.000 3.092 590 T HA 0.181 4.531 4.350 -0.000 0.000 0.258 590 T C 0.326 174.963 174.700 -0.106 0.000 1.031 590 T CA 0.443 62.526 62.100 -0.028 0.000 0.925 590 T CB 0.188 69.044 68.868 -0.019 0.000 1.036 590 T HN 0.189 nan 8.240 nan 0.000 0.544 591 D N 1.104 121.490 120.400 -0.022 0.000 2.398 591 D HA 0.145 4.785 4.640 -0.000 0.000 0.210 591 D C 0.702 177.005 176.300 0.005 0.000 1.094 591 D CA -0.412 53.572 54.000 -0.027 0.000 0.839 591 D CB 0.046 40.866 40.800 0.033 0.000 0.963 591 D HN 0.681 nan 8.370 nan 0.000 0.506 592 W N 1.499 122.809 121.300 0.017 0.000 2.158 592 W HA 0.446 5.106 4.660 -0.000 0.000 0.339 592 W C -0.500 176.029 176.519 0.016 0.000 1.294 592 W CA -0.608 56.746 57.345 0.015 0.000 1.231 592 W CB 0.438 29.905 29.460 0.013 0.000 1.143 592 W HN -0.303 nan 8.180 nan 0.000 0.571 593 V N 3.333 123.436 119.914 0.315 0.000 2.891 593 V HA 0.302 4.422 4.120 -0.000 0.000 0.304 593 V C -1.067 175.164 176.094 0.229 0.000 1.171 593 V CA -0.616 61.777 62.300 0.156 0.000 0.943 593 V CB 2.181 34.016 31.823 0.020 0.000 1.037 593 V HN 0.801 nan 8.190 nan 0.000 0.427 594 Q N 3.564 123.495 119.800 0.218 0.000 2.306 594 Q HA 0.784 5.123 4.340 -0.000 0.000 0.265 594 Q C -1.497 174.550 176.000 0.078 0.000 1.022 594 Q CA -0.855 55.042 55.803 0.156 0.000 0.853 594 Q CB 2.828 31.676 28.738 0.183 0.000 1.327 594 Q HN 0.651 nan 8.270 nan 0.000 0.449 595 V N 1.158 121.102 119.914 0.050 0.000 2.487 595 V HA 0.806 4.926 4.120 -0.000 0.000 0.298 595 V C -0.300 175.804 176.094 0.017 0.000 1.028 595 V CA -0.589 61.718 62.300 0.012 0.000 0.860 595 V CB 1.502 33.337 31.823 0.021 0.000 0.991 595 V HN 0.834 nan 8.190 nan 0.000 0.427 596 R N 1.688 122.190 120.500 0.003 0.000 2.621 596 R HA 0.674 5.014 4.340 -0.000 0.000 0.292 596 R C -0.837 175.470 176.300 0.011 0.000 0.969 596 R CA -0.811 55.297 56.100 0.014 0.000 0.887 596 R CB 1.330 31.641 30.300 0.018 0.000 1.180 596 R HN 0.786 nan 8.270 nan 0.000 0.450 597 D N 1.993 122.410 120.400 0.029 0.000 2.411 597 D HA 0.083 4.723 4.640 -0.000 0.000 0.225 597 D C 0.853 177.186 176.300 0.055 0.000 1.156 597 D CA 0.588 54.615 54.000 0.046 0.000 0.874 597 D CB 1.327 42.165 40.800 0.063 0.000 1.034 597 D HN 0.560 nan 8.370 nan 0.000 0.502 598 T N -0.327 114.259 114.554 0.054 0.000 3.122 598 T HA 0.014 4.363 4.350 -0.000 0.000 0.250 598 T C 1.524 176.288 174.700 0.107 0.000 1.067 598 T CA -0.036 62.102 62.100 0.062 0.000 0.966 598 T CB -0.071 68.820 68.868 0.038 0.000 1.002 598 T HN 0.212 nan 8.240 nan 0.000 0.542 599 T N 2.087 116.729 114.554 0.146 0.000 2.635 599 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 599 T C 2.239 177.133 174.700 0.323 0.000 1.040 599 T CA 1.794 64.029 62.100 0.224 0.000 1.156 599 T CB -0.985 68.066 68.868 0.305 0.000 0.863 599 T HN 0.610 nan 8.240 nan 0.000 0.430 600 G N 0.301 109.283 108.800 0.305 0.000 2.534 600 G HA2 0.144 4.104 3.960 -0.000 0.000 0.217 600 G HA3 0.144 4.104 3.960 -0.000 0.000 0.217 600 G C 1.427 176.419 174.900 0.154 0.000 1.128 600 G CA 0.662 45.919 45.100 0.262 0.000 0.784 600 G HN 0.602 nan 8.290 nan 0.000 0.542 601 G N -0.385 108.485 108.800 0.118 0.000 3.088 601 G HA2 0.370 4.330 3.960 -0.000 0.000 0.217 601 G HA3 0.370 4.330 3.960 -0.000 0.000 0.217 601 G C 0.679 175.626 174.900 0.078 0.000 1.159 601 G CA 0.978 46.122 45.100 0.074 0.000 0.760 601 G HN 0.624 nan 8.290 nan 0.000 0.550 602 T N -2.629 111.990 114.554 0.109 0.000 2.716 602 T HA 0.617 4.966 4.350 -0.000 0.000 0.286 602 T C -0.414 174.344 174.700 0.097 0.000 1.052 602 T CA -0.374 61.792 62.100 0.110 0.000 1.024 602 T CB 1.922 70.872 68.868 0.137 0.000 1.349 602 T HN 0.670 nan 8.240 nan 0.000 0.525 603 C N -0.964 118.406 119.300 0.116 0.000 3.318 603 C HA 0.930 5.390 4.460 -0.000 0.000 0.322 603 C C -0.765 174.320 174.990 0.158 0.000 1.398 603 C CA -1.013 58.043 59.018 0.064 0.000 1.339 603 C CB 0.968 28.633 27.740 -0.124 0.000 1.668 603 C HN 1.393 nan 8.230 nan 0.000 0.462 604 C N 1.614 121.006 119.300 0.153 0.000 2.811 604 C HA 0.747 5.206 4.460 -0.000 0.000 0.352 604 C C -1.100 173.949 174.990 0.098 0.000 1.098 604 C CA -0.254 58.728 59.018 -0.061 0.000 1.295 604 C CB 0.063 27.560 27.740 -0.405 0.000 1.758 604 C HN 0.906 nan 8.230 nan 0.000 0.488 605 I N 4.770 125.322 120.570 -0.030 0.000 2.354 605 I HA 0.462 4.631 4.170 -0.000 0.000 0.292 605 I C 0.991 176.916 176.117 -0.320 0.000 0.989 605 I CA -0.023 61.212 61.300 -0.107 0.000 1.188 605 I CB 1.671 39.561 38.000 -0.184 0.000 1.342 605 I HN 0.873 nan 8.210 nan 0.000 0.457 606 G N 6.744 115.264 108.800 -0.466 0.000 2.356 606 G HA2 0.448 4.407 3.960 -0.000 0.000 0.300 606 G HA3 0.448 4.407 3.960 -0.000 0.000 0.300 606 G C -0.888 173.357 174.900 -1.092 0.000 1.107 606 G CA -0.279 44.029 45.100 -1.320 0.000 0.960 606 G HN 0.432 nan 8.290 nan 0.000 0.418 607 L N 4.510 125.168 121.223 -0.942 0.000 2.283 607 L HA 0.663 5.003 4.340 -0.000 0.000 0.281 607 L C -1.281 175.345 176.870 -0.407 0.000 1.033 607 L CA -1.156 53.419 54.840 -0.441 0.000 0.848 607 L CB 0.041 42.001 42.059 -0.165 0.000 1.226 607 L HN 0.454 nan 8.230 nan 0.000 0.429 608 W N 4.481 125.807 121.300 0.044 0.000 2.936 608 W HA 0.810 5.470 4.660 -0.000 0.000 0.338 608 W C 0.237 176.737 176.519 -0.031 0.000 1.121 608 W CA -0.686 56.645 57.345 -0.022 0.000 1.209 608 W CB 2.060 31.551 29.460 0.053 0.000 1.420 608 W HN 0.784 nan 8.180 nan 0.000 0.516 609 G N 2.204 111.099 108.800 0.159 0.000 2.326 609 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.413 609 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.413 609 G C -2.313 172.574 174.900 -0.022 0.000 1.444 609 G CA -0.840 44.291 45.100 0.053 0.000 1.002 609 G HN 0.105 nan 8.290 nan 0.000 0.649 610 P HA -0.006 nan 4.420 nan 0.000 0.222 610 P C 1.479 178.733 177.300 -0.077 0.000 1.147 610 P CA 0.867 63.946 63.100 -0.035 0.000 0.790 610 P CB 0.169 31.866 31.700 -0.005 0.000 0.780 611 L N -1.419 119.734 121.223 -0.117 0.000 2.653 611 L HA 0.272 4.612 4.340 -0.000 0.000 0.231 611 L C 2.320 179.020 176.870 -0.283 0.000 1.153 611 L CA -0.036 54.671 54.840 -0.222 0.000 0.933 611 L CB -0.599 41.324 42.059 -0.227 0.000 1.175 611 L HN -0.114 nan 8.230 nan 0.000 0.473 612 A N 0.731 123.453 122.820 -0.164 0.000 1.933 612 A HA -0.178 4.141 4.320 -0.000 0.000 0.218 612 A C 2.441 180.044 177.584 0.031 0.000 1.175 612 A CA 1.355 53.334 52.037 -0.098 0.000 0.628 612 A CB -0.244 18.656 19.000 -0.166 0.000 0.814 612 A HN 0.366 nan 8.150 nan 0.000 0.444 613 R N -0.425 120.116 120.500 0.068 0.000 2.092 613 R HA -0.088 4.251 4.340 -0.000 0.000 0.231 613 R C 1.573 177.807 176.300 -0.109 0.000 1.119 613 R CA 1.299 57.487 56.100 0.146 0.000 0.970 613 R CB -0.328 30.084 30.300 0.186 0.000 0.864 613 R HN 0.472 nan 8.270 nan 0.000 0.440 614 D N 1.015 121.247 120.400 -0.279 0.000 2.123 614 D HA -0.198 4.442 4.640 -0.000 0.000 0.196 614 D C 1.866 177.776 176.300 -0.649 0.000 0.992 614 D CA 0.945 54.643 54.000 -0.503 0.000 0.833 614 D CB -0.176 40.118 40.800 -0.843 0.000 0.954 614 D HN 0.176 nan 8.370 nan 0.000 0.455 615 L N 0.349 121.144 121.223 -0.713 0.000 1.988 615 L HA -0.135 4.205 4.340 -0.000 0.000 0.207 615 L C 2.397 179.121 176.870 -0.244 0.000 1.071 615 L CA 1.059 55.646 54.840 -0.422 0.000 0.744 615 L CB -0.259 41.605 42.059 -0.324 0.000 0.893 615 L HN -0.116 nan 8.230 nan 0.000 0.433 616 V N -0.208 119.529 119.914 -0.296 0.000 2.490 616 V HA -0.239 3.881 4.120 -0.000 0.000 0.250 616 V C 2.776 178.655 176.094 -0.358 0.000 1.061 616 V CA 1.868 63.904 62.300 -0.440 0.000 1.064 616 V CB -0.113 31.171 31.823 -0.899 0.000 0.670 616 V HN 0.825 nan 8.190 nan 0.000 0.461 617 S N -0.523 115.033 115.700 -0.239 0.000 2.442 617 S HA -0.228 4.242 4.470 -0.000 0.000 0.236 617 S C 1.835 176.405 174.600 -0.050 0.000 1.007 617 S CA 1.501 59.641 58.200 -0.100 0.000 0.965 617 S CB -0.501 62.670 63.200 -0.048 0.000 0.773 617 S HN 0.727 nan 8.310 nan 0.000 0.504 618 K N 0.755 121.125 120.400 -0.050 0.000 2.366 618 K HA 0.107 4.427 4.320 -0.000 0.000 0.198 618 K C 1.128 177.714 176.600 -0.024 0.000 1.044 618 K CA 1.096 57.379 56.287 -0.006 0.000 0.973 618 K CB 0.133 32.657 32.500 0.040 0.000 0.767 618 K HN 0.551 nan 8.250 nan 0.000 0.475 619 V N -3.069 116.811 119.914 -0.057 0.000 3.166 619 V HA 0.277 4.397 4.120 -0.000 0.000 0.332 619 V C -0.203 175.869 176.094 -0.037 0.000 1.434 619 V CA -0.727 61.545 62.300 -0.047 0.000 1.121 619 V CB 0.664 32.449 31.823 -0.063 0.000 1.062 619 V HN 0.032 nan 8.190 nan 0.000 0.489 620 S N -0.060 115.626 115.700 -0.022 0.000 2.537 620 S HA 0.547 5.017 4.470 -0.000 0.000 0.270 620 S C -0.745 173.888 174.600 0.056 0.000 1.142 620 S CA -0.310 57.913 58.200 0.038 0.000 0.870 620 S CB 2.267 65.540 63.200 0.121 0.000 1.112 620 S HN 0.304 nan 8.310 nan 0.000 0.466 621 D N 1.419 121.850 120.400 0.051 0.000 2.398 621 D HA 0.185 4.825 4.640 -0.000 0.000 0.210 621 D C -0.367 175.948 176.300 0.025 0.000 1.094 621 D CA 0.078 54.099 54.000 0.035 0.000 0.839 621 D CB 0.239 41.047 40.800 0.014 0.000 0.963 621 D HN 0.558 nan 8.370 nan 0.000 0.506 622 D N 1.111 121.531 120.400 0.033 0.000 2.344 622 D HA 0.015 4.655 4.640 -0.000 0.000 0.244 622 D C 0.001 176.236 176.300 -0.108 0.000 1.134 622 D CA 0.130 54.072 54.000 -0.097 0.000 0.930 622 D CB 1.415 42.072 40.800 -0.238 0.000 1.175 622 D HN -0.110 nan 8.370 nan 0.000 0.437 623 D N 0.618 120.884 120.400 -0.223 0.000 2.347 623 D HA 0.077 4.717 4.640 -0.000 0.000 0.235 623 D C -0.358 175.741 176.300 -0.335 0.000 1.149 623 D CA -0.348 53.564 54.000 -0.147 0.000 0.850 623 D CB 0.137 40.874 40.800 -0.105 0.000 1.061 623 D HN 0.189 nan 8.370 nan 0.000 0.487 624 F N 1.274 121.165 119.950 -0.099 0.000 2.653 624 F HA 0.072 4.599 4.527 -0.000 0.000 0.304 624 F C 1.586 177.451 175.800 0.110 0.000 1.092 624 F CA -0.370 57.570 58.000 -0.099 0.000 1.279 624 F CB 0.105 38.917 39.000 -0.314 0.000 1.044 624 F HN 0.215 nan 8.300 nan 0.000 0.564 625 T N -2.665 112.009 114.554 0.200 0.000 2.680 625 T HA -0.068 4.281 4.350 -0.000 0.000 0.314 625 T C 1.351 176.156 174.700 0.176 0.000 1.045 625 T CA -0.093 62.115 62.100 0.179 0.000 1.025 625 T CB 0.530 69.461 68.868 0.105 0.000 1.000 625 T HN 0.168 nan 8.240 nan 0.000 0.535 626 N N 0.511 119.302 118.700 0.152 0.000 2.149 626 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 626 N C 1.373 176.944 175.510 0.102 0.000 1.019 626 N CA 1.706 54.839 53.050 0.139 0.000 0.857 626 N CB -0.437 38.112 38.487 0.104 0.000 0.997 626 N HN 0.608 nan 8.380 nan 0.000 0.426 627 D N -1.107 119.337 120.400 0.072 0.000 2.178 627 D HA -0.037 4.603 4.640 -0.000 0.000 0.202 627 D C 1.770 178.086 176.300 0.027 0.000 0.974 627 D CA 1.235 55.262 54.000 0.045 0.000 0.841 627 D CB -0.570 40.249 40.800 0.032 0.000 0.953 627 D HN 0.473 nan 8.370 nan 0.000 0.478 628 G N -0.169 108.642 108.800 0.018 0.000 2.408 628 G HA2 0.055 4.015 3.960 -0.000 0.000 0.215 628 G HA3 0.055 4.015 3.960 -0.000 0.000 0.215 628 G C 0.436 175.302 174.900 -0.057 0.000 1.156 628 G CA 0.190 45.264 45.100 -0.044 0.000 0.793 628 G HN 0.206 nan 8.290 nan 0.000 0.535 629 L N 0.411 121.648 121.223 0.024 0.000 2.611 629 L HA 0.474 4.814 4.340 -0.000 0.000 0.263 629 L C -0.588 176.393 176.870 0.185 0.000 0.969 629 L CA -0.811 54.070 54.840 0.067 0.000 0.894 629 L CB 1.495 43.566 42.059 0.020 0.000 1.229 629 L HN -0.090 nan 8.230 nan 0.000 0.416 630 K N 2.710 123.204 120.400 0.158 0.000 2.107 630 K HA 0.244 4.564 4.320 -0.000 0.000 0.251 630 K C -0.830 175.942 176.600 0.285 0.000 1.012 630 K CA -0.653 55.756 56.287 0.203 0.000 0.920 630 K CB 0.659 33.252 32.500 0.154 0.000 1.033 630 K HN 0.475 nan 8.250 nan 0.000 0.478 631 Y N 1.325 121.727 120.300 0.169 0.000 2.712 631 Y HA -0.143 4.407 4.550 -0.000 0.000 0.333 631 Y C 0.064 176.159 175.900 0.324 0.000 1.225 631 Y CA 0.516 58.751 58.100 0.225 0.000 1.499 631 Y CB -0.120 38.452 38.460 0.188 0.000 1.288 631 Y HN 0.598 nan 8.280 nan 0.000 0.575 632 F N 3.108 122.838 119.950 -0.367 0.000 3.093 632 F HA -0.303 4.224 4.527 -0.000 0.000 0.287 632 F C 0.188 175.954 175.800 -0.057 0.000 0.882 632 F CA 0.805 58.641 58.000 -0.273 0.000 1.063 632 F CB -0.890 37.911 39.000 -0.332 0.000 1.097 632 F HN 0.463 nan 8.300 nan 0.000 0.604 633 R N -0.009 120.537 120.500 0.076 0.000 2.892 633 R HA 0.937 5.277 4.340 -0.000 0.000 0.265 633 R C -0.164 176.166 176.300 0.049 0.000 1.025 633 R CA -0.352 55.789 56.100 0.067 0.000 0.982 633 R CB 1.806 32.156 30.300 0.083 0.000 1.185 633 R HN 0.062 nan 8.270 nan 0.000 0.484 634 A N 1.204 124.040 122.820 0.026 0.000 2.401 634 A HA 0.684 5.004 4.320 -0.000 0.000 0.310 634 A C -0.843 176.733 177.584 -0.013 0.000 1.075 634 A CA -0.711 51.339 52.037 0.022 0.000 0.746 634 A CB 1.562 20.564 19.000 0.003 0.000 1.277 634 A HN 0.753 nan 8.150 nan 0.000 0.425 635 K N 1.095 121.476 120.400 -0.032 0.000 2.555 635 K HA 0.473 4.793 4.320 -0.000 0.000 0.279 635 K C -1.487 175.071 176.600 -0.070 0.000 0.986 635 K CA -1.010 55.235 56.287 -0.070 0.000 0.880 635 K CB 1.121 33.553 32.500 -0.112 0.000 1.474 635 K HN 0.432 nan 8.250 nan 0.000 0.433 636 N N 0.922 119.580 118.700 -0.069 0.000 2.514 636 N HA 0.353 5.093 4.740 -0.000 0.000 0.277 636 N C -0.453 175.008 175.510 -0.082 0.000 1.126 636 N CA -0.336 52.683 53.050 -0.051 0.000 0.978 636 N CB 1.512 39.975 38.487 -0.039 0.000 1.106 636 N HN 0.551 nan 8.380 nan 0.000 0.461 637 V N -1.164 118.716 119.914 -0.056 0.000 3.167 637 V HA 0.716 4.836 4.120 -0.000 0.000 0.310 637 V C -0.559 175.536 176.094 0.002 0.000 1.207 637 V CA -0.869 61.395 62.300 -0.061 0.000 1.059 637 V CB 1.887 33.661 31.823 -0.082 0.000 1.079 637 V HN 0.180 nan 8.190 nan 0.000 0.446 638 V N 1.858 121.784 119.914 0.019 0.000 2.487 638 V HA 0.609 4.729 4.120 -0.000 0.000 0.298 638 V C -0.535 175.587 176.094 0.046 0.000 1.028 638 V CA -0.234 62.084 62.300 0.030 0.000 0.860 638 V CB 1.394 33.227 31.823 0.017 0.000 0.991 638 V HN 0.765 nan 8.190 nan 0.000 0.427 639 I N 3.375 123.966 120.570 0.034 0.000 2.447 639 I HA 0.574 4.744 4.170 -0.000 0.000 0.287 639 I C 1.029 177.150 176.117 0.006 0.000 1.023 639 I CA -0.416 60.888 61.300 0.007 0.000 1.083 639 I CB 1.862 39.849 38.000 -0.023 0.000 1.245 639 I HN 0.847 nan 8.210 nan 0.000 0.434 640 G N 4.175 112.974 108.800 -0.001 0.000 2.258 640 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.274 640 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.274 640 G C 1.001 175.914 174.900 0.023 0.000 1.021 640 G CA 0.664 45.770 45.100 0.009 0.000 0.798 640 G HN 1.553 nan 8.290 nan 0.000 0.507 641 G N -1.970 106.843 108.800 0.021 0.000 2.199 641 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.254 641 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.254 641 G C 0.247 175.165 174.900 0.030 0.000 0.982 641 G CA 0.417 45.531 45.100 0.024 0.000 0.632 641 G HN 1.137 nan 8.290 nan 0.000 0.529 642 I N 1.871 122.463 120.570 0.037 0.000 2.336 642 I HA 0.370 4.540 4.170 -0.000 0.000 0.292 642 I C -2.193 173.951 176.117 0.045 0.000 0.991 642 I CA -3.212 58.117 61.300 0.047 0.000 1.227 642 I CB 1.196 39.234 38.000 0.065 0.000 1.366 642 I HN -0.178 nan 8.210 nan 0.000 0.466 643 P HA 0.190 nan 4.420 nan 0.000 0.271 643 P C -0.601 176.733 177.300 0.057 0.000 1.226 643 P CA 0.076 63.199 63.100 0.039 0.000 0.765 643 P CB 0.773 32.492 31.700 0.031 0.000 0.835 644 V N 3.647 123.596 119.914 0.058 0.000 2.876 644 V HA 0.370 4.490 4.120 -0.000 0.000 0.312 644 V C -0.008 176.136 176.094 0.084 0.000 1.085 644 V CA -0.449 61.903 62.300 0.087 0.000 0.945 644 V CB 2.621 34.495 31.823 0.085 0.000 1.017 644 V HN 0.359 nan 8.190 nan 0.000 0.428 645 T N 3.853 118.488 114.554 0.135 0.000 2.733 645 T HA 0.632 4.982 4.350 -0.000 0.000 0.294 645 T C 0.021 174.847 174.700 0.211 0.000 0.956 645 T CA -0.119 62.059 62.100 0.129 0.000 0.987 645 T CB 1.084 70.014 68.868 0.104 0.000 0.920 645 T HN 0.910 nan 8.240 nan 0.000 0.470 646 A N 5.117 128.017 122.820 0.133 0.000 2.276 646 A HA 0.792 5.112 4.320 -0.000 0.000 0.316 646 A C -0.104 177.602 177.584 0.204 0.000 1.229 646 A CA -0.759 51.382 52.037 0.174 0.000 0.851 646 A CB 0.432 19.473 19.000 0.067 0.000 1.165 646 A HN 0.829 nan 8.150 nan 0.000 0.513 647 M N 2.542 122.325 119.600 0.305 0.000 2.253 647 M HA 0.392 4.872 4.480 -0.000 0.000 0.314 647 M C 0.043 176.524 176.300 0.302 0.000 1.019 647 M CA -0.304 55.135 55.300 0.232 0.000 0.932 647 M CB 2.146 34.865 32.600 0.198 0.000 1.606 647 M HN 0.775 nan 8.290 nan 0.000 0.430 648 R N 5.779 126.428 120.500 0.248 0.000 2.408 648 R HA 0.633 4.972 4.340 -0.000 0.000 0.308 648 R C -1.429 174.815 176.300 -0.093 0.000 1.210 648 R CA -0.048 56.209 56.100 0.262 0.000 1.115 648 R CB 0.078 30.617 30.300 0.398 0.000 1.127 648 R HN 0.826 nan 8.270 nan 0.000 0.523 649 L N -0.893 120.297 121.223 -0.055 0.000 2.838 649 L HA 0.649 4.989 4.340 -0.000 0.000 0.266 649 L C -1.508 175.408 176.870 0.075 0.000 1.040 649 L CA -1.013 53.713 54.840 -0.191 0.000 0.906 649 L CB 2.151 43.770 42.059 -0.732 0.000 1.501 649 L HN 0.314 nan 8.230 nan 0.000 0.407 650 S N -0.814 114.821 115.700 -0.108 0.000 2.689 650 S HA 0.395 4.865 4.470 -0.000 0.000 0.274 650 S C -0.323 173.956 174.600 -0.535 0.000 1.176 650 S CA -0.487 57.361 58.200 -0.587 0.000 1.014 650 S CB 0.868 63.631 63.200 -0.729 0.000 1.071 650 S HN 0.763 nan 8.310 nan 0.000 0.478 651 Y N 3.424 123.279 120.300 -0.741 0.000 2.574 651 Y HA -0.054 4.496 4.550 -0.000 0.000 0.294 651 Y C 2.059 177.657 175.900 -0.504 0.000 1.142 651 Y CA 1.496 59.346 58.100 -0.417 0.000 1.314 651 Y CB 0.482 38.775 38.460 -0.279 0.000 0.991 651 Y HN 0.691 nan 8.280 nan 0.000 0.555 652 V N -4.003 115.499 119.914 -0.686 0.000 3.621 652 V HA 0.458 4.578 4.120 -0.000 0.000 0.285 652 V C 1.305 177.222 176.094 -0.296 0.000 1.346 652 V CA 0.631 62.616 62.300 -0.526 0.000 1.104 652 V CB -0.133 31.372 31.823 -0.530 0.000 0.913 652 V HN 0.333 nan 8.190 nan 0.000 0.432 653 G N 0.089 108.770 108.800 -0.198 0.000 2.147 653 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.244 653 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.244 653 G C -0.116 174.785 174.900 0.003 0.000 1.005 653 G CA 0.492 45.574 45.100 -0.031 0.000 0.713 653 G HN 0.624 nan 8.290 nan 0.000 0.515 654 E N -1.229 118.908 120.200 -0.105 0.000 2.355 654 E HA 0.625 4.975 4.350 -0.000 0.000 0.261 654 E C 0.353 176.931 176.600 -0.035 0.000 0.943 654 E CA -1.283 55.109 56.400 -0.015 0.000 0.806 654 E CB 1.458 31.180 29.700 0.037 0.000 1.286 654 E HN 0.317 nan 8.360 nan 0.000 0.424 655 L N 0.671 121.871 121.223 -0.039 0.000 2.506 655 L HA 0.319 4.659 4.340 -0.000 0.000 0.281 655 L C 0.546 177.291 176.870 -0.209 0.000 1.228 655 L CA 1.830 56.590 54.840 -0.134 0.000 0.850 655 L CB -0.167 41.808 42.059 -0.141 0.000 1.110 655 L HN 0.712 nan 8.230 nan 0.000 0.496 656 G N 2.171 110.579 108.800 -0.653 0.000 2.293 656 G HA2 0.045 4.005 3.960 -0.000 0.000 0.282 656 G HA3 0.045 4.005 3.960 -0.000 0.000 0.282 656 G C -1.828 172.469 174.900 -1.004 0.000 1.299 656 G CA -0.338 44.033 45.100 -1.216 0.000 1.018 656 G HN 0.777 nan 8.290 nan 0.000 0.478 657 W N 0.026 121.429 121.300 0.172 0.000 3.167 657 W HA 0.509 5.169 4.660 -0.000 0.000 0.324 657 W C -0.492 175.984 176.519 -0.073 0.000 1.230 657 W CA -0.801 56.629 57.345 0.141 0.000 1.184 657 W CB 1.619 31.153 29.460 0.123 0.000 1.414 657 W HN 0.667 nan 8.180 nan 0.000 0.551 658 E N 2.001 122.348 120.200 0.246 0.000 2.259 658 E HA 0.370 4.720 4.350 -0.000 0.000 0.281 658 E C -0.645 175.936 176.600 -0.032 0.000 1.037 658 E CA -0.329 56.062 56.400 -0.016 0.000 0.854 658 E CB 1.172 30.908 29.700 0.060 0.000 1.051 658 E HN 0.160 nan 8.360 nan 0.000 0.409 659 L N 4.522 125.626 121.223 -0.198 0.000 2.318 659 L HA 0.372 4.712 4.340 -0.000 0.000 0.277 659 L C -0.958 175.822 176.870 -0.150 0.000 1.008 659 L CA -0.756 54.046 54.840 -0.064 0.000 0.846 659 L CB 0.263 42.304 42.059 -0.030 0.000 1.220 659 L HN 0.494 nan 8.230 nan 0.000 0.423 660 Y N 1.593 121.950 120.300 0.096 0.000 2.342 660 Y HA 0.643 5.193 4.550 -0.000 0.000 0.334 660 Y C 0.642 176.594 175.900 0.087 0.000 1.067 660 Y CA -0.243 57.914 58.100 0.095 0.000 1.128 660 Y CB 2.192 40.695 38.460 0.072 0.000 1.200 660 Y HN 0.466 nan 8.280 nan 0.000 0.464 661 T N 0.523 115.227 114.554 0.250 0.000 2.762 661 T HA 0.319 4.669 4.350 -0.000 0.000 0.301 661 T C -0.894 173.891 174.700 0.143 0.000 1.299 661 T CA -0.726 61.477 62.100 0.173 0.000 1.005 661 T CB 1.256 70.212 68.868 0.147 0.000 1.377 661 T HN 0.562 nan 8.240 nan 0.000 0.504 662 S N 0.593 116.354 115.700 0.101 0.000 2.572 662 S HA 0.469 4.939 4.470 -0.000 0.000 0.279 662 S C 1.719 176.357 174.600 0.063 0.000 1.341 662 S CA 0.297 58.542 58.200 0.075 0.000 1.043 662 S CB 0.384 63.617 63.200 0.055 0.000 0.887 662 S HN 0.929 nan 8.310 nan 0.000 0.516 663 A N 3.429 126.274 122.820 0.042 0.000 1.917 663 A HA -0.165 4.155 4.320 -0.000 0.000 0.219 663 A C 1.790 179.378 177.584 0.006 0.000 1.182 663 A CA 2.076 54.117 52.037 0.007 0.000 0.633 663 A CB -0.924 18.077 19.000 0.003 0.000 0.819 663 A HN 0.986 nan 8.150 nan 0.000 0.448 664 D N -0.060 120.352 120.400 0.020 0.000 2.263 664 D HA -0.154 4.486 4.640 -0.000 0.000 0.208 664 D C 0.905 177.230 176.300 0.042 0.000 0.971 664 D CA 1.312 55.326 54.000 0.022 0.000 0.867 664 D CB -0.673 40.139 40.800 0.020 0.000 0.929 664 D HN 0.396 nan 8.370 nan 0.000 0.492 665 N N 0.162 118.899 118.700 0.061 0.000 2.353 665 N HA 0.085 4.825 4.740 -0.000 0.000 0.185 665 N C 1.868 177.459 175.510 0.135 0.000 1.098 665 N CA 0.749 53.850 53.050 0.086 0.000 0.872 665 N CB 0.212 38.751 38.487 0.087 0.000 0.970 665 N HN 0.398 nan 8.380 nan 0.000 0.467 666 G N 0.999 109.883 108.800 0.141 0.000 2.402 666 G HA2 -0.278 3.681 3.960 -0.000 0.000 0.216 666 G HA3 -0.278 3.681 3.960 -0.000 0.000 0.216 666 G C 1.333 176.500 174.900 0.444 0.000 1.162 666 G CA 0.456 45.733 45.100 0.295 0.000 0.777 666 G HN 0.341 nan 8.290 nan 0.000 0.539 667 Q N -0.071 119.885 119.800 0.261 0.000 2.119 667 Q HA -0.131 4.209 4.340 -0.000 0.000 0.201 667 Q C 2.571 178.721 176.000 0.250 0.000 0.972 667 Q CA 1.441 57.402 55.803 0.264 0.000 0.847 667 Q CB -0.078 28.729 28.738 0.115 0.000 0.903 667 Q HN 0.356 nan 8.270 nan 0.000 0.433 668 R N 0.436 121.044 120.500 0.180 0.000 2.075 668 R HA -0.143 4.197 4.340 -0.000 0.000 0.232 668 R C 2.145 178.534 176.300 0.149 0.000 1.126 668 R CA 1.387 57.572 56.100 0.141 0.000 0.963 668 R CB -0.865 29.494 30.300 0.099 0.000 0.858 668 R HN 0.391 nan 8.270 nan 0.000 0.435 669 L N 0.099 121.426 121.223 0.173 0.000 2.012 669 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 669 L C 2.097 179.023 176.870 0.094 0.000 1.073 669 L CA 2.110 57.026 54.840 0.127 0.000 0.748 669 L CB -0.943 41.210 42.059 0.157 0.000 0.891 669 L HN 0.420 nan 8.230 nan 0.000 0.431 670 W N 0.863 122.146 121.300 -0.028 0.000 2.317 670 W HA -0.282 4.378 4.660 -0.000 0.000 0.318 670 W C 2.029 178.528 176.519 -0.034 0.000 1.227 670 W CA 2.226 59.473 57.345 -0.162 0.000 1.269 670 W CB -0.452 28.845 29.460 -0.272 0.000 1.155 670 W HN 0.315 nan 8.180 nan 0.000 0.484 671 D N 0.175 120.738 120.400 0.271 0.000 2.144 671 D HA -0.116 4.524 4.640 -0.000 0.000 0.199 671 D C 2.335 178.700 176.300 0.109 0.000 0.984 671 D CA 1.946 56.073 54.000 0.213 0.000 0.834 671 D CB -0.772 40.142 40.800 0.189 0.000 0.955 671 D HN 0.179 nan 8.370 nan 0.000 0.465 672 A N 0.618 123.471 122.820 0.055 0.000 1.877 672 A HA -0.108 4.212 4.320 -0.000 0.000 0.216 672 A C 2.384 179.942 177.584 -0.042 0.000 1.186 672 A CA 0.886 52.930 52.037 0.012 0.000 0.620 672 A CB -0.769 18.234 19.000 0.005 0.000 0.822 672 A HN 0.198 nan 8.150 nan 0.000 0.443 673 L N -1.905 119.252 121.223 -0.110 0.000 2.056 673 L HA -0.196 4.144 4.340 -0.000 0.000 0.207 673 L C 2.619 179.371 176.870 -0.197 0.000 1.078 673 L CA 1.253 55.979 54.840 -0.190 0.000 0.749 673 L CB -0.511 41.372 42.059 -0.294 0.000 0.901 673 L HN 0.735 nan 8.230 nan 0.000 0.433 674 W N 1.327 122.371 121.300 -0.426 0.000 2.333 674 W HA -0.308 4.352 4.660 -0.000 0.000 0.316 674 W C 2.539 178.945 176.519 -0.188 0.000 1.215 674 W CA 2.268 59.392 57.345 -0.369 0.000 1.278 674 W CB -0.173 29.080 29.460 -0.344 0.000 1.154 674 W HN 0.330 nan 8.180 nan 0.000 0.486 675 Q N 0.312 120.126 119.800 0.022 0.000 2.079 675 Q HA -0.164 4.176 4.340 -0.000 0.000 0.200 675 Q C 2.338 178.272 176.000 -0.110 0.000 0.974 675 Q CA 2.141 57.924 55.803 -0.034 0.000 0.840 675 Q CB -0.529 28.233 28.738 0.040 0.000 0.898 675 Q HN 0.150 nan 8.270 nan 0.000 0.430 676 A N 0.354 123.123 122.820 -0.085 0.000 1.978 676 A HA -0.103 4.217 4.320 -0.000 0.000 0.220 676 A C 2.154 179.728 177.584 -0.017 0.000 1.170 676 A CA 1.556 53.566 52.037 -0.046 0.000 0.636 676 A CB -1.007 17.968 19.000 -0.042 0.000 0.810 676 A HN 0.594 nan 8.150 nan 0.000 0.448 677 G N -1.672 107.044 108.800 -0.139 0.000 2.712 677 G HA2 0.019 3.979 3.960 -0.000 0.000 0.212 677 G HA3 0.019 3.979 3.960 -0.000 0.000 0.212 677 G C 1.349 176.099 174.900 -0.251 0.000 1.142 677 G CA 0.465 45.491 45.100 -0.123 0.000 0.789 677 G HN 0.404 nan 8.290 nan 0.000 0.535 678 Q N 0.828 120.417 119.800 -0.352 0.000 2.077 678 Q HA -0.112 4.228 4.340 -0.000 0.000 0.206 678 Q C 0.077 175.867 176.000 -0.350 0.000 0.989 678 Q CA 1.608 57.188 55.803 -0.373 0.000 0.853 678 Q CB -1.519 27.039 28.738 -0.301 0.000 0.907 678 Q HN 0.405 nan 8.270 nan 0.000 0.418 679 P HA -0.074 nan 4.420 nan 0.000 0.226 679 P C 0.568 177.444 177.300 -0.706 0.000 1.153 679 P CA 0.994 63.736 63.100 -0.596 0.000 0.777 679 P CB -0.279 30.947 31.700 -0.790 0.000 0.794 680 F N -1.226 118.609 119.950 -0.192 0.000 2.727 680 F HA 0.397 4.924 4.527 -0.000 0.000 0.302 680 F C 1.605 177.263 175.800 -0.236 0.000 1.097 680 F CA 0.250 58.136 58.000 -0.190 0.000 1.330 680 F CB -0.371 38.520 39.000 -0.183 0.000 1.084 680 F HN -0.055 nan 8.300 nan 0.000 0.578 681 G N 1.513 110.208 108.800 -0.175 0.000 2.198 681 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.257 681 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.257 681 G C 0.137 174.863 174.900 -0.291 0.000 1.042 681 G CA 0.147 45.107 45.100 -0.234 0.000 0.791 681 G HN 0.266 nan 8.290 nan 0.000 0.502 682 V N 0.790 120.494 119.914 -0.350 0.000 2.788 682 V HA 0.515 4.635 4.120 -0.000 0.000 0.307 682 V C 0.966 176.755 176.094 -0.508 0.000 1.069 682 V CA 0.815 62.856 62.300 -0.431 0.000 1.173 682 V CB 0.609 32.112 31.823 -0.534 0.000 0.925 682 V HN 0.919 nan 8.190 nan 0.000 0.492 683 I N 4.133 124.506 120.570 -0.329 0.000 2.892 683 I HA 0.906 5.076 4.170 -0.000 0.000 0.306 683 I C -0.089 175.999 176.117 -0.048 0.000 1.078 683 I CA -1.049 60.160 61.300 -0.152 0.000 1.032 683 I CB 2.054 39.974 38.000 -0.133 0.000 1.229 683 I HN 0.681 nan 8.210 nan 0.000 0.435 684 A N 3.051 125.889 122.820 0.029 0.000 2.363 684 A HA 0.830 5.150 4.320 -0.000 0.000 0.270 684 A C -0.035 177.339 177.584 -0.350 0.000 1.121 684 A CA -0.032 51.822 52.037 -0.305 0.000 0.800 684 A CB 0.306 18.736 19.000 -0.950 0.000 1.052 684 A HN 1.218 nan 8.150 nan 0.000 0.493 685 A N 1.750 124.401 122.820 -0.281 0.000 2.414 685 A HA 0.819 5.139 4.320 -0.000 0.000 0.306 685 A C 0.245 177.842 177.584 0.022 0.000 1.054 685 A CA 0.014 51.919 52.037 -0.220 0.000 0.724 685 A CB 1.389 19.908 19.000 -0.802 0.000 1.267 685 A HN 1.705 nan 8.150 nan 0.000 0.418 686 G N -0.403 108.562 108.800 0.275 0.000 2.705 686 G HA2 0.471 4.431 3.960 -0.000 0.000 0.299 686 G HA3 0.471 4.431 3.960 -0.000 0.000 0.299 686 G C 0.564 175.606 174.900 0.236 0.000 1.315 686 G CA -0.467 44.747 45.100 0.190 0.000 1.045 686 G HN 0.845 nan 8.290 nan 0.000 0.517 687 R N -0.899 119.540 120.500 -0.100 0.000 2.148 687 R HA 0.002 4.342 4.340 -0.000 0.000 0.227 687 R C 2.585 178.854 176.300 -0.053 0.000 1.103 687 R CA 1.693 57.633 56.100 -0.267 0.000 0.983 687 R CB -0.317 29.409 30.300 -0.957 0.000 0.874 687 R HN 0.497 nan 8.270 nan 0.000 0.451 688 A N 0.628 123.494 122.820 0.077 0.000 1.877 688 A HA -0.097 4.223 4.320 -0.000 0.000 0.216 688 A C 2.337 180.163 177.584 0.404 0.000 1.186 688 A CA 1.615 53.867 52.037 0.359 0.000 0.620 688 A CB -0.856 18.486 19.000 0.571 0.000 0.822 688 A HN 0.487 nan 8.150 nan 0.000 0.443 689 A N -1.231 121.837 122.820 0.414 0.000 1.902 689 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 689 A C 2.073 179.915 177.584 0.430 0.000 1.181 689 A CA 1.572 53.869 52.037 0.434 0.000 0.623 689 A CB -0.753 18.471 19.000 0.373 0.000 0.818 689 A HN 0.716 nan 8.150 nan 0.000 0.443 690 F N 1.289 121.421 119.950 0.304 0.000 2.095 690 F HA -0.192 4.334 4.527 -0.000 0.000 0.298 690 F C 2.519 178.338 175.800 0.031 0.000 1.104 690 F CA 2.087 60.143 58.000 0.094 0.000 1.232 690 F CB -0.274 38.762 39.000 0.060 0.000 0.987 690 F HN 0.195 nan 8.300 nan 0.000 0.475 691 S N -0.707 115.173 115.700 0.299 0.000 2.383 691 S HA -0.209 4.261 4.470 -0.000 0.000 0.227 691 S C 2.212 176.853 174.600 0.069 0.000 1.026 691 S CA 1.216 59.512 58.200 0.160 0.000 0.981 691 S CB -0.582 62.766 63.200 0.246 0.000 0.818 691 S HN 0.551 nan 8.310 nan 0.000 0.472 692 S N 1.305 117.094 115.700 0.148 0.000 2.355 692 S HA 0.012 4.482 4.470 -0.000 0.000 0.222 692 S C 1.803 176.409 174.600 0.009 0.000 1.031 692 S CA 0.907 59.170 58.200 0.105 0.000 0.993 692 S CB -0.411 62.937 63.200 0.247 0.000 0.859 692 S HN 0.441 nan 8.310 nan 0.000 0.453 693 L N 1.368 122.587 121.223 -0.007 0.000 2.093 693 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 693 L C 2.748 179.475 176.870 -0.238 0.000 1.085 693 L CA 1.621 56.390 54.840 -0.118 0.000 0.755 693 L CB -0.525 41.456 42.059 -0.130 0.000 0.904 693 L HN 0.428 nan 8.230 nan 0.000 0.435 694 R N 0.330 120.644 120.500 -0.310 0.000 2.115 694 R HA -0.095 4.245 4.340 -0.000 0.000 0.226 694 R C 1.990 178.169 176.300 -0.203 0.000 1.100 694 R CA 1.298 57.230 56.100 -0.279 0.000 0.980 694 R CB -0.895 29.202 30.300 -0.338 0.000 0.875 694 R HN 0.231 nan 8.270 nan 0.000 0.445 695 L N 0.733 121.879 121.223 -0.129 0.000 2.093 695 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 695 L C 2.207 179.052 176.870 -0.041 0.000 1.085 695 L CA 1.646 56.452 54.840 -0.056 0.000 0.755 695 L CB -0.363 41.709 42.059 0.022 0.000 0.904 695 L HN 0.395 nan 8.230 nan 0.000 0.435 696 E N -0.294 119.849 120.200 -0.094 0.000 2.265 696 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 696 E C 1.691 178.221 176.600 -0.118 0.000 0.996 696 E CA 0.662 57.011 56.400 -0.084 0.000 0.832 696 E CB 0.193 29.829 29.700 -0.107 0.000 0.756 696 E HN 0.235 nan 8.360 nan 0.000 0.491 697 K N -0.631 119.585 120.400 -0.307 0.000 2.426 697 K HA 0.045 4.365 4.320 -0.000 0.000 0.193 697 K C 1.119 177.400 176.600 -0.533 0.000 1.028 697 K CA 0.702 56.633 56.287 -0.594 0.000 1.047 697 K CB 0.665 32.345 32.500 -1.367 0.000 0.821 697 K HN 0.248 nan 8.250 nan 0.000 0.513 698 G N 1.530 110.179 108.800 -0.251 0.000 2.160 698 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.251 698 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.251 698 G C -0.171 174.704 174.900 -0.041 0.000 1.008 698 G CA 0.031 45.075 45.100 -0.094 0.000 0.724 698 G HN 0.403 nan 8.290 nan 0.000 0.514 699 Y N 0.042 120.283 120.300 -0.099 0.000 2.359 699 Y HA 0.481 5.030 4.550 -0.000 0.000 0.334 699 Y C 1.292 177.174 175.900 -0.031 0.000 1.058 699 Y CA -1.166 56.907 58.100 -0.045 0.000 1.244 699 Y CB 0.630 39.106 38.460 0.027 0.000 1.187 699 Y HN 0.059 nan 8.280 nan 0.000 0.510 700 R N 2.110 122.714 120.500 0.173 0.000 2.539 700 R HA 0.377 4.717 4.340 -0.000 0.000 0.275 700 R C -0.148 176.277 176.300 0.209 0.000 1.077 700 R CA -0.099 56.055 56.100 0.090 0.000 1.097 700 R CB 0.593 30.962 30.300 0.114 0.000 1.018 700 R HN 0.800 nan 8.270 nan 0.000 0.483 701 S N 2.133 117.915 115.700 0.137 0.000 2.448 701 S HA 0.215 4.685 4.470 -0.000 0.000 0.320 701 S C -0.834 173.885 174.600 0.199 0.000 1.071 701 S CA -0.745 57.577 58.200 0.203 0.000 1.113 701 S CB 0.148 63.431 63.200 0.138 0.000 0.972 701 S HN 0.590 nan 8.310 nan 0.000 0.465 702 W N 3.163 124.550 121.300 0.145 0.000 2.257 702 W HA 0.407 5.067 4.660 -0.000 0.000 0.337 702 W C 1.139 177.722 176.519 0.107 0.000 1.321 702 W CA 1.938 59.353 57.345 0.117 0.000 1.267 702 W CB 0.354 29.873 29.460 0.097 0.000 1.187 702 W HN 1.310 nan 8.180 nan 0.000 0.565 703 G N 2.275 110.411 108.800 -1.107 0.000 2.259 703 G HA2 -0.350 3.610 3.960 -0.000 0.000 0.217 703 G HA3 -0.350 3.610 3.960 -0.000 0.000 0.217 703 G C 0.657 175.312 174.900 -0.407 0.000 1.001 703 G CA 0.948 45.446 45.100 -1.002 0.000 0.627 703 G HN 0.996 nan 8.290 nan 0.000 0.501 704 T N -3.328 111.106 114.554 -0.200 0.000 3.280 704 T HA 0.226 4.576 4.350 -0.000 0.000 0.256 704 T C 1.406 176.125 174.700 0.033 0.000 0.995 704 T CA 1.230 63.320 62.100 -0.016 0.000 1.144 704 T CB 0.102 69.005 68.868 0.059 0.000 1.140 704 T HN -0.065 nan 8.240 nan 0.000 0.423 705 D N 2.244 122.641 120.400 -0.006 0.000 2.219 705 D HA 0.088 4.728 4.640 -0.000 0.000 0.205 705 D C 1.056 177.357 176.300 0.002 0.000 0.970 705 D CA 0.972 54.956 54.000 -0.027 0.000 0.851 705 D CB 0.044 40.791 40.800 -0.088 0.000 0.943 705 D HN 0.515 nan 8.370 nan 0.000 0.488 706 M N -0.687 118.900 119.600 -0.021 0.000 2.465 706 M HA 0.416 4.896 4.480 -0.000 0.000 0.284 706 M C -0.808 175.434 176.300 -0.097 0.000 1.212 706 M CA -0.680 54.663 55.300 0.072 0.000 0.910 706 M CB 1.686 34.383 32.600 0.162 0.000 1.725 706 M HN -0.131 nan 8.290 nan 0.000 0.477 707 T N -2.209 112.469 114.554 0.206 0.000 2.645 707 T HA 0.567 4.917 4.350 -0.000 0.000 0.273 707 T C 0.919 175.686 174.700 0.112 0.000 0.960 707 T CA 0.362 62.401 62.100 -0.101 0.000 1.051 707 T CB 0.889 69.621 68.868 -0.228 0.000 1.366 707 T HN 0.856 nan 8.240 nan 0.000 0.536 708 T N -1.656 112.961 114.554 0.105 0.000 3.098 708 T HA 0.053 4.403 4.350 -0.000 0.000 0.266 708 T C 1.196 175.838 174.700 -0.097 0.000 1.145 708 T CA 0.993 63.123 62.100 0.051 0.000 1.092 708 T CB -0.638 68.260 68.868 0.049 0.000 0.908 708 T HN 0.719 nan 8.240 nan 0.000 0.526 709 E N 0.240 120.274 120.200 -0.275 0.000 2.427 709 E HA 0.026 4.376 4.350 -0.000 0.000 0.196 709 E C -0.195 176.049 176.600 -0.594 0.000 1.028 709 E CA 0.397 56.522 56.400 -0.459 0.000 0.864 709 E CB 0.031 29.375 29.700 -0.594 0.000 0.813 709 E HN 0.776 nan 8.360 nan 0.000 0.514 710 H N 0.271 119.294 119.070 -0.077 0.000 2.492 710 H HA 0.158 4.714 4.556 -0.000 0.000 0.345 710 H C -0.464 174.865 175.328 0.002 0.000 1.136 710 H CA -1.236 54.768 56.048 -0.075 0.000 1.202 710 H CB 1.174 30.889 29.762 -0.079 0.000 1.524 710 H HN 0.011 nan 8.280 nan 0.000 0.506 711 D N 2.137 122.624 120.400 0.145 0.000 2.388 711 D HA 0.143 4.783 4.640 -0.000 0.000 0.254 711 D C -1.898 174.430 176.300 0.048 0.000 1.111 711 D CA -2.397 51.664 54.000 0.103 0.000 0.993 711 D CB 0.686 41.575 40.800 0.149 0.000 1.118 711 D HN 0.166 nan 8.370 nan 0.000 0.502 712 P HA -0.051 nan 4.420 nan 0.000 0.218 712 P C 0.938 178.041 177.300 -0.327 0.000 1.149 712 P CA 1.135 64.043 63.100 -0.320 0.000 0.817 712 P CB -0.074 31.271 31.700 -0.591 0.000 0.785 713 F N 0.081 120.082 119.950 0.084 0.000 2.163 713 F HA -0.059 4.468 4.527 -0.000 0.000 0.297 713 F C 2.295 178.165 175.800 0.116 0.000 1.094 713 F CA 1.022 59.074 58.000 0.086 0.000 1.290 713 F CB -1.017 38.027 39.000 0.073 0.000 1.017 713 F HN -0.073 nan 8.300 nan 0.000 0.483 714 E N 0.512 120.888 120.200 0.293 0.000 2.118 714 E HA -0.201 4.149 4.350 -0.000 0.000 0.195 714 E C 2.225 179.020 176.600 0.326 0.000 0.992 714 E CA 1.087 57.670 56.400 0.305 0.000 0.804 714 E CB -0.333 29.550 29.700 0.305 0.000 0.741 714 E HN 0.383 nan 8.360 nan 0.000 0.458 715 A N 0.316 123.285 122.820 0.247 0.000 2.206 715 A HA 0.190 4.510 4.320 -0.000 0.000 0.211 715 A C 1.718 179.351 177.584 0.082 0.000 1.158 715 A CA 0.826 52.958 52.037 0.159 0.000 0.761 715 A CB -0.391 18.695 19.000 0.144 0.000 0.801 715 A HN 0.341 nan 8.150 nan 0.000 0.473 716 G N -1.232 107.633 108.800 0.110 0.000 2.160 716 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.244 716 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.244 716 G C 0.326 175.322 174.900 0.161 0.000 1.022 716 G CA 0.449 45.632 45.100 0.139 0.000 0.741 716 G HN 0.595 nan 8.290 nan 0.000 0.508 717 L N 0.237 121.459 121.223 -0.001 0.000 3.066 717 L HA 0.343 4.683 4.340 -0.000 0.000 0.265 717 L C 2.385 178.969 176.870 -0.477 0.000 1.232 717 L CA 0.267 54.951 54.840 -0.261 0.000 1.031 717 L CB 0.158 42.089 42.059 -0.214 0.000 1.379 717 L HN 0.235 nan 8.230 nan 0.000 0.563 718 G N 1.439 110.117 108.800 -0.203 0.000 2.469 718 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.220 718 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.220 718 G C 1.354 176.214 174.900 -0.068 0.000 1.136 718 G CA 1.090 46.100 45.100 -0.150 0.000 0.759 718 G HN 0.556 nan 8.290 nan 0.000 0.562 719 F N 1.226 121.209 119.950 0.054 0.000 2.307 719 F HA 0.199 4.726 4.527 -0.000 0.000 0.301 719 F C 2.284 178.098 175.800 0.023 0.000 1.076 719 F CA 0.596 58.622 58.000 0.043 0.000 1.383 719 F CB -0.494 38.521 39.000 0.025 0.000 1.055 719 F HN 0.167 nan 8.300 nan 0.000 0.526 720 A N 0.383 122.775 122.820 -0.714 0.000 2.275 720 A HA 0.420 4.740 4.320 -0.000 0.000 0.212 720 A C 0.408 177.807 177.584 -0.308 0.000 1.201 720 A CA 0.138 51.898 52.037 -0.462 0.000 0.843 720 A CB -0.600 18.045 19.000 -0.592 0.000 0.873 720 A HN 0.144 nan 8.150 nan 0.000 0.492 721 V N 0.834 120.595 119.914 -0.254 0.000 2.357 721 V HA 0.235 4.355 4.120 -0.000 0.000 0.284 721 V C 0.085 176.127 176.094 -0.087 0.000 1.018 721 V CA -0.677 61.491 62.300 -0.221 0.000 0.841 721 V CB 1.371 33.093 31.823 -0.168 0.000 0.991 721 V HN 0.381 nan 8.190 nan 0.000 0.437 722 K N 5.091 125.389 120.400 -0.170 0.000 2.184 722 K HA 0.288 4.608 4.320 -0.000 0.000 0.259 722 K C 1.081 177.741 176.600 0.100 0.000 1.119 722 K CA -0.569 55.696 56.287 -0.037 0.000 0.991 722 K CB 0.383 32.843 32.500 -0.067 0.000 1.522 722 K HN 0.550 nan 8.250 nan 0.000 0.405 723 M N 1.750 121.469 119.600 0.199 0.000 2.446 723 M HA -0.090 4.390 4.480 -0.000 0.000 0.263 723 M C 1.669 178.109 176.300 0.232 0.000 1.066 723 M CA 0.932 56.412 55.300 0.300 0.000 1.087 723 M CB -0.809 31.937 32.600 0.243 0.000 1.406 723 M HN 0.655 nan 8.290 nan 0.000 0.459 724 A N 0.029 122.946 122.820 0.161 0.000 2.119 724 A HA -0.062 4.258 4.320 -0.000 0.000 0.217 724 A C 1.157 178.823 177.584 0.137 0.000 1.153 724 A CA 0.400 52.510 52.037 0.122 0.000 0.692 724 A CB -0.391 18.659 19.000 0.084 0.000 0.799 724 A HN 0.371 nan 8.150 nan 0.000 0.458 725 K N -0.368 120.149 120.400 0.195 0.000 2.527 725 K HA 0.237 4.557 4.320 -0.000 0.000 0.278 725 K C 1.515 178.233 176.600 0.198 0.000 0.981 725 K CA 0.409 56.821 56.287 0.209 0.000 1.009 725 K CB 0.383 33.067 32.500 0.306 0.000 0.895 725 K HN 0.439 nan 8.250 nan 0.000 0.493 726 E N 1.792 122.070 120.200 0.131 0.000 2.077 726 E HA -0.127 4.223 4.350 -0.000 0.000 0.193 726 E C 0.811 177.450 176.600 0.065 0.000 0.989 726 E CA 1.752 58.201 56.400 0.082 0.000 0.800 726 E CB 0.155 29.890 29.700 0.059 0.000 0.746 726 E HN 0.490 nan 8.360 nan 0.000 0.452 727 S N -1.466 114.304 115.700 0.116 0.000 2.543 727 S HA 0.646 5.116 4.470 -0.000 0.000 0.271 727 S C -1.429 173.295 174.600 0.207 0.000 1.148 727 S CA -0.308 57.924 58.200 0.053 0.000 0.914 727 S CB 0.567 63.795 63.200 0.046 0.000 1.096 727 S HN 0.985 nan 8.310 nan 0.000 0.471 728 F N 1.188 121.145 119.950 0.012 0.000 2.744 728 F HA 0.569 5.096 4.527 -0.000 0.000 0.311 728 F C -1.325 174.467 175.800 -0.013 0.000 1.144 728 F CA -1.422 56.574 58.000 -0.006 0.000 0.938 728 F CB 0.392 39.381 39.000 -0.019 0.000 1.292 728 F HN 0.422 nan 8.300 nan 0.000 0.444 729 I N 2.509 123.155 120.570 0.127 0.000 2.668 729 I HA 0.330 4.500 4.170 -0.000 0.000 0.285 729 I C 1.254 177.359 176.117 -0.020 0.000 1.168 729 I CA 1.553 62.809 61.300 -0.072 0.000 1.424 729 I CB 0.250 38.123 38.000 -0.212 0.000 1.377 729 I HN 1.149 nan 8.210 nan 0.000 0.560 730 G N 4.889 113.627 108.800 -0.103 0.000 2.194 730 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.236 730 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.236 730 G C 1.168 175.984 174.900 -0.140 0.000 0.987 730 G CA 0.381 45.456 45.100 -0.042 0.000 0.635 730 G HN 0.687 nan 8.290 nan 0.000 0.520 731 K N 0.705 120.774 120.400 -0.551 0.000 2.032 731 K HA -0.010 4.310 4.320 -0.000 0.000 0.209 731 K C 2.680 179.121 176.600 -0.265 0.000 1.048 731 K CA 2.191 58.014 56.287 -0.773 0.000 0.927 731 K CB -0.841 30.817 32.500 -1.404 0.000 0.712 731 K HN 0.463 nan 8.250 nan 0.000 0.441 732 G N 0.384 109.071 108.800 -0.189 0.000 2.440 732 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.218 732 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.218 732 G C 1.578 176.461 174.900 -0.029 0.000 1.154 732 G CA 0.970 46.021 45.100 -0.083 0.000 0.767 732 G HN 0.465 nan 8.290 nan 0.000 0.552 733 A N 0.397 123.212 122.820 -0.008 0.000 1.972 733 A HA 0.140 4.460 4.320 -0.000 0.000 0.219 733 A C 2.251 179.871 177.584 0.060 0.000 1.169 733 A CA 1.019 53.073 52.037 0.029 0.000 0.635 733 A CB -0.270 18.756 19.000 0.043 0.000 0.810 733 A HN 0.370 nan 8.150 nan 0.000 0.446 734 L N -0.101 121.176 121.223 0.090 0.000 2.591 734 L HA 0.060 4.399 4.340 -0.000 0.000 0.228 734 L C 0.147 177.085 176.870 0.113 0.000 1.133 734 L CA -0.230 54.724 54.840 0.190 0.000 0.880 734 L CB -0.336 41.930 42.059 0.345 0.000 1.033 734 L HN 0.393 nan 8.230 nan 0.000 0.450 735 E N 0.672 120.899 120.200 0.045 0.000 2.465 735 E HA 0.088 4.438 4.350 -0.000 0.000 0.260 735 E C 1.156 177.744 176.600 -0.020 0.000 0.980 735 E CA 0.684 57.091 56.400 0.012 0.000 0.927 735 E CB 0.449 30.148 29.700 -0.003 0.000 0.934 735 E HN 0.341 nan 8.360 nan 0.000 0.459 736 G N 3.542 112.311 108.800 -0.050 0.000 2.205 736 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.261 736 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.261 736 G C 0.296 175.101 174.900 -0.159 0.000 0.980 736 G CA 0.072 45.123 45.100 -0.082 0.000 0.632 736 G HN 0.489 nan 8.290 nan 0.000 0.533 737 R N 1.002 121.359 120.500 -0.238 0.000 2.490 737 R HA 0.570 4.910 4.340 -0.000 0.000 0.278 737 R C 0.480 176.278 176.300 -0.837 0.000 1.069 737 R CA 0.680 56.547 56.100 -0.388 0.000 1.080 737 R CB 0.924 31.085 30.300 -0.232 0.000 1.030 737 R HN 0.481 nan 8.270 nan 0.000 0.491 738 T N -2.672 111.523 114.554 -0.598 0.000 2.864 738 T HA 0.210 4.560 4.350 -0.000 0.000 0.299 738 T C 0.694 175.311 174.700 -0.139 0.000 1.166 738 T CA -1.028 60.766 62.100 -0.511 0.000 1.007 738 T CB 1.922 70.658 68.868 -0.220 0.000 1.219 738 T HN 0.545 nan 8.240 nan 0.000 0.506 739 E N 0.436 120.685 120.200 0.083 0.000 2.051 739 E HA -0.154 4.196 4.350 -0.000 0.000 0.192 739 E C 1.616 178.272 176.600 0.094 0.000 0.991 739 E CA 1.411 57.926 56.400 0.191 0.000 0.799 739 E CB -0.056 29.779 29.700 0.224 0.000 0.748 739 E HN 0.717 nan 8.360 nan 0.000 0.449 740 E N 0.518 120.746 120.200 0.048 0.000 2.153 740 E HA -0.120 4.230 4.350 -0.000 0.000 0.194 740 E C 1.512 178.122 176.600 0.017 0.000 0.988 740 E CA 1.162 57.579 56.400 0.028 0.000 0.811 740 E CB -0.068 29.640 29.700 0.013 0.000 0.746 740 E HN 0.261 nan 8.360 nan 0.000 0.466 741 A N 0.072 122.893 122.820 0.002 0.000 2.308 741 A HA 0.178 4.497 4.320 -0.000 0.000 0.217 741 A C 0.755 178.350 177.584 0.018 0.000 1.216 741 A CA -0.209 51.827 52.037 -0.002 0.000 0.864 741 A CB 0.218 19.201 19.000 -0.028 0.000 0.902 741 A HN 0.037 nan 8.150 nan 0.000 0.499 742 S N 0.479 116.208 115.700 0.048 0.000 2.533 742 S HA 0.346 4.816 4.470 -0.000 0.000 0.282 742 S C 1.514 176.155 174.600 0.069 0.000 1.304 742 S CA 0.191 58.440 58.200 0.082 0.000 1.063 742 S CB 1.308 64.594 63.200 0.144 0.000 0.881 742 S HN 0.614 nan 8.310 nan 0.000 0.493 743 A N 4.582 127.439 122.820 0.062 0.000 2.015 743 A HA -0.003 4.317 4.320 -0.000 0.000 0.219 743 A C 0.926 178.548 177.584 0.064 0.000 1.163 743 A CA 1.048 53.115 52.037 0.051 0.000 0.646 743 A CB 0.065 19.090 19.000 0.041 0.000 0.806 743 A HN 0.651 nan 8.150 nan 0.000 0.448 744 R N -0.504 120.055 120.500 0.099 0.000 2.621 744 R HA 0.652 4.992 4.340 -0.000 0.000 0.292 744 R C -1.116 175.318 176.300 0.222 0.000 0.969 744 R CA -0.419 55.768 56.100 0.145 0.000 0.887 744 R CB 1.731 32.114 30.300 0.139 0.000 1.180 744 R HN 0.286 nan 8.270 nan 0.000 0.450 745 R N 1.277 121.909 120.500 0.220 0.000 2.621 745 R HA 0.334 4.674 4.340 -0.000 0.000 0.284 745 R C -0.812 175.481 176.300 -0.011 0.000 0.998 745 R CA -1.214 54.986 56.100 0.166 0.000 0.895 745 R CB 2.119 32.462 30.300 0.071 0.000 1.195 745 R HN 0.276 nan 8.270 nan 0.000 0.450 746 L N 3.269 124.331 121.223 -0.268 0.000 2.410 746 L HA 0.235 4.575 4.340 -0.000 0.000 0.273 746 L C -0.536 176.202 176.870 -0.220 0.000 1.144 746 L CA 0.656 55.110 54.840 -0.644 0.000 0.863 746 L CB 0.148 41.758 42.059 -0.747 0.000 1.140 746 L HN 0.404 nan 8.230 nan 0.000 0.463 747 R N 3.792 124.162 120.500 -0.216 0.000 2.740 747 R HA 0.401 4.741 4.340 -0.000 0.000 0.282 747 R C -1.174 174.849 176.300 -0.462 0.000 0.969 747 R CA -0.637 55.335 56.100 -0.213 0.000 0.918 747 R CB 1.318 31.503 30.300 -0.192 0.000 1.175 747 R HN 0.729 nan 8.270 nan 0.000 0.464 748 C N 4.189 123.124 119.300 -0.608 0.000 2.435 748 C HA 0.594 5.053 4.460 -0.000 0.000 0.375 748 C C -0.179 174.490 174.990 -0.535 0.000 1.281 748 C CA -0.436 57.965 59.018 -1.029 0.000 1.963 748 C CB -0.908 26.396 27.740 -0.727 0.000 2.490 748 C HN 0.572 nan 8.230 nan 0.000 0.557 749 L N 6.448 127.380 121.223 -0.486 0.000 2.346 749 L HA 0.586 4.926 4.340 -0.000 0.000 0.276 749 L C 0.396 177.140 176.870 -0.211 0.000 1.006 749 L CA -0.196 54.488 54.840 -0.260 0.000 0.817 749 L CB 2.130 44.081 42.059 -0.180 0.000 1.272 749 L HN 0.761 nan 8.230 nan 0.000 0.421 750 T N -0.446 114.015 114.554 -0.156 0.000 2.855 750 T HA 0.659 5.009 4.350 -0.000 0.000 0.281 750 T C -0.395 174.248 174.700 -0.096 0.000 1.007 750 T CA -0.694 61.326 62.100 -0.134 0.000 1.009 750 T CB 1.842 70.629 68.868 -0.135 0.000 0.983 750 T HN 0.166 nan 8.240 nan 0.000 0.455 751 I N 3.477 123.994 120.570 -0.088 0.000 2.396 751 I HA 0.215 4.385 4.170 -0.000 0.000 0.289 751 I C 1.016 177.105 176.117 -0.047 0.000 1.056 751 I CA -0.274 60.993 61.300 -0.055 0.000 1.365 751 I CB 0.805 38.778 38.000 -0.045 0.000 1.407 751 I HN 0.680 nan 8.210 nan 0.000 0.509 752 D N 3.178 123.559 120.400 -0.032 0.000 2.144 752 D HA -0.185 4.455 4.640 -0.000 0.000 0.199 752 D C 1.468 177.755 176.300 -0.021 0.000 0.984 752 D CA 1.361 55.344 54.000 -0.028 0.000 0.834 752 D CB -0.104 40.684 40.800 -0.019 0.000 0.955 752 D HN 0.685 nan 8.370 nan 0.000 0.465 753 D N -0.778 119.615 120.400 -0.012 0.000 2.363 753 D HA 0.054 4.694 4.640 -0.000 0.000 0.226 753 D C 1.570 177.874 176.300 0.006 0.000 1.020 753 D CA 0.906 54.904 54.000 -0.003 0.000 0.892 753 D CB -0.386 40.415 40.800 0.002 0.000 0.900 753 D HN 0.210 nan 8.370 nan 0.000 0.531 754 G N 1.267 110.071 108.800 0.006 0.000 2.189 754 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.267 754 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.267 754 G C 1.094 176.066 174.900 0.119 0.000 0.975 754 G CA 0.831 45.953 45.100 0.038 0.000 0.644 754 G HN 0.677 nan 8.290 nan 0.000 0.537 755 R N -2.015 118.532 120.500 0.079 0.000 2.702 755 R HA 0.348 4.688 4.340 -0.000 0.000 0.223 755 R C 0.605 176.926 176.300 0.036 0.000 0.953 755 R CA 0.578 56.722 56.100 0.073 0.000 1.068 755 R CB -0.065 30.251 30.300 0.026 0.000 1.600 755 R HN 0.226 nan 8.270 nan 0.000 0.602 756 S N 2.570 118.272 115.700 0.004 0.000 3.072 756 S HA 0.316 4.786 4.470 -0.000 0.000 0.306 756 S C 0.137 174.668 174.600 -0.116 0.000 1.207 756 S CA -0.410 57.752 58.200 -0.063 0.000 1.008 756 S CB -0.041 63.127 63.200 -0.053 0.000 1.390 756 S HN 0.174 nan 8.310 nan 0.000 0.523 757 I N 3.717 124.222 120.570 -0.109 0.000 2.588 757 I HA 0.131 4.301 4.170 -0.000 0.000 0.283 757 I C 0.561 176.517 176.117 -0.269 0.000 1.119 757 I CA -0.358 60.894 61.300 -0.079 0.000 1.419 757 I CB 0.598 38.618 38.000 0.034 0.000 1.394 757 I HN 0.290 nan 8.210 nan 0.000 0.562 758 V N 5.142 124.986 119.914 -0.117 0.000 2.975 758 V HA 0.489 4.609 4.120 -0.000 0.000 0.318 758 V C 0.185 176.377 176.094 0.164 0.000 1.077 758 V CA -0.626 61.663 62.300 -0.019 0.000 1.000 758 V CB 2.038 33.891 31.823 0.051 0.000 1.066 758 V HN 0.744 nan 8.190 nan 0.000 0.452 759 L N 1.128 122.525 121.223 0.290 0.000 2.717 759 L HA 0.724 5.064 4.340 -0.000 0.000 0.239 759 L C 0.979 178.008 176.870 0.265 0.000 1.086 759 L CA 0.715 55.733 54.840 0.298 0.000 0.897 759 L CB 0.832 43.117 42.059 0.376 0.000 1.214 759 L HN 1.203 nan 8.230 nan 0.000 0.508 760 G N 0.038 109.001 108.800 0.270 0.000 2.435 760 G HA2 0.048 4.008 3.960 -0.000 0.000 0.603 760 G HA3 0.048 4.008 3.960 -0.000 0.000 0.603 760 G C -0.052 175.025 174.900 0.295 0.000 1.496 760 G CA -0.384 44.877 45.100 0.268 0.000 0.896 760 G HN 0.056 nan 8.290 nan 0.000 0.657 761 K N -1.225 119.368 120.400 0.321 0.000 3.587 761 K HA -0.186 4.134 4.320 -0.000 0.000 0.294 761 K C 0.505 177.183 176.600 0.130 0.000 1.279 761 K CA 1.764 58.220 56.287 0.281 0.000 1.004 761 K CB -0.936 31.756 32.500 0.319 0.000 1.276 761 K HN 0.719 nan 8.250 nan 0.000 0.459 762 E N 2.552 122.847 120.200 0.159 0.000 2.414 762 E HA 0.054 4.404 4.350 -0.000 0.000 0.263 762 E C -2.238 174.396 176.600 0.057 0.000 1.000 762 E CA -1.290 55.160 56.400 0.084 0.000 0.914 762 E CB 0.253 30.048 29.700 0.159 0.000 0.948 762 E HN 0.092 nan 8.360 nan 0.000 0.444 763 P HA 0.043 nan 4.420 nan 0.000 0.275 763 P C -0.790 176.469 177.300 -0.068 0.000 1.228 763 P CA -0.224 62.809 63.100 -0.111 0.000 0.786 763 P CB 0.887 32.455 31.700 -0.219 0.000 0.927 764 V N 3.630 123.426 119.914 -0.198 0.000 2.448 764 V HA 0.398 4.517 4.120 -0.000 0.000 0.295 764 V C -0.171 175.767 176.094 -0.260 0.000 1.025 764 V CA -0.330 61.922 62.300 -0.081 0.000 0.859 764 V CB 0.808 32.617 31.823 -0.024 0.000 0.988 764 V HN 0.361 nan 8.190 nan 0.000 0.431 765 F N 3.915 123.909 119.950 0.074 0.000 2.495 765 F HA 0.604 5.131 4.527 -0.000 0.000 0.327 765 F C -0.550 175.338 175.800 0.146 0.000 1.103 765 F CA -0.720 57.332 58.000 0.087 0.000 0.949 765 F CB 1.706 40.733 39.000 0.046 0.000 1.142 765 F HN 0.485 nan 8.300 nan 0.000 0.457 766 Y N 2.879 123.276 120.300 0.162 0.000 2.361 766 Y HA 0.365 4.914 4.550 -0.000 0.000 0.337 766 Y C -0.031 175.931 175.900 0.104 0.000 0.965 766 Y CA -1.818 56.343 58.100 0.101 0.000 1.091 766 Y CB 1.226 39.718 38.460 0.053 0.000 1.182 766 Y HN 0.675 nan 8.280 nan 0.000 0.450 767 K N 5.695 125.847 120.400 -0.415 0.000 3.278 767 K HA -0.268 4.051 4.320 -0.000 0.000 0.270 767 K C -0.179 176.378 176.600 -0.072 0.000 0.955 767 K CA 1.127 57.226 56.287 -0.313 0.000 0.723 767 K CB -0.774 31.457 32.500 -0.447 0.000 1.382 767 K HN 0.861 nan 8.250 nan 0.000 0.461 768 E N -2.273 117.938 120.200 0.018 0.000 3.370 768 E HA -0.282 4.068 4.350 -0.000 0.000 0.291 768 E C 0.031 176.775 176.600 0.239 0.000 0.916 768 E CA 1.449 57.892 56.400 0.073 0.000 0.981 768 E CB -1.087 28.603 29.700 -0.017 0.000 1.498 768 E HN 0.802 nan 8.360 nan 0.000 0.452 769 Q N -0.146 119.818 119.800 0.273 0.000 2.282 769 Q HA 0.581 4.921 4.340 -0.000 0.000 0.260 769 Q C -0.551 175.577 176.000 0.212 0.000 0.964 769 Q CA 0.043 55.998 55.803 0.253 0.000 0.880 769 Q CB 1.423 30.254 28.738 0.155 0.000 1.286 769 Q HN 0.187 nan 8.270 nan 0.000 0.445 770 A N 3.095 125.931 122.820 0.028 0.000 2.491 770 A HA 0.277 4.597 4.320 -0.000 0.000 0.261 770 A C 0.565 178.057 177.584 -0.154 0.000 1.101 770 A CA 0.064 51.843 52.037 -0.430 0.000 0.772 770 A CB -0.134 18.614 19.000 -0.420 0.000 1.043 770 A HN 0.769 nan 8.150 nan 0.000 0.501 771 V N 0.301 120.132 119.914 -0.138 0.000 3.382 771 V HA 0.659 4.779 4.120 -0.000 0.000 0.296 771 V C 0.543 176.636 176.094 -0.001 0.000 1.529 771 V CA 0.669 62.961 62.300 -0.014 0.000 1.048 771 V CB -0.376 31.474 31.823 0.046 0.000 0.878 771 V HN 1.477 nan 8.190 nan 0.000 0.442 772 G N 0.128 108.907 108.800 -0.035 0.000 2.561 772 G HA2 0.652 4.612 3.960 -0.000 0.000 0.310 772 G HA3 0.652 4.612 3.960 -0.000 0.000 0.310 772 G C -1.788 173.140 174.900 0.046 0.000 1.292 772 G CA -0.153 44.944 45.100 -0.005 0.000 0.811 772 G HN 1.031 nan 8.290 nan 0.000 0.482 773 Y N -2.218 118.110 120.300 0.048 0.000 2.592 773 Y HA 0.659 5.209 4.550 -0.000 0.000 0.334 773 Y C -0.653 175.305 175.900 0.096 0.000 1.136 773 Y CA -1.590 56.525 58.100 0.025 0.000 1.042 773 Y CB 0.932 39.398 38.460 0.009 0.000 1.325 773 Y HN 0.502 nan 8.280 nan 0.000 0.457 774 V N 3.083 123.128 119.914 0.218 0.000 2.485 774 V HA 0.093 4.213 4.120 -0.000 0.000 0.287 774 V C 1.045 177.307 176.094 0.281 0.000 1.022 774 V CA 0.996 63.402 62.300 0.175 0.000 1.067 774 V CB 0.629 32.561 31.823 0.182 0.000 0.967 774 V HN 1.137 nan 8.190 nan 0.000 0.479 775 T N 1.530 116.187 114.554 0.170 0.000 2.837 775 T HA 0.087 4.437 4.350 -0.000 0.000 0.248 775 T C 0.788 175.602 174.700 0.189 0.000 1.033 775 T CA 0.375 62.602 62.100 0.213 0.000 1.150 775 T CB 0.167 69.100 68.868 0.108 0.000 0.865 775 T HN 0.498 nan 8.240 nan 0.000 0.425 776 S N 0.193 115.991 115.700 0.162 0.000 2.568 776 S HA 0.838 5.308 4.470 -0.000 0.000 0.293 776 S C -1.039 173.669 174.600 0.181 0.000 1.089 776 S CA -0.404 57.887 58.200 0.151 0.000 0.945 776 S CB 1.835 65.084 63.200 0.081 0.000 1.077 776 S HN 0.951 nan 8.310 nan 0.000 0.485 777 A N 0.891 123.812 122.820 0.169 0.000 2.612 777 A HA 0.973 5.293 4.320 -0.000 0.000 0.293 777 A C -1.381 176.288 177.584 0.142 0.000 1.075 777 A CA -0.287 51.842 52.037 0.152 0.000 0.680 777 A CB 1.180 20.270 19.000 0.149 0.000 1.279 777 A HN 1.574 nan 8.150 nan 0.000 0.411 778 A N -0.320 122.560 122.820 0.099 0.000 2.586 778 A HA 0.599 4.919 4.320 -0.000 0.000 0.291 778 A C -1.699 175.893 177.584 0.013 0.000 1.062 778 A CA -0.504 51.589 52.037 0.092 0.000 0.666 778 A CB 0.185 19.238 19.000 0.089 0.000 1.281 778 A HN 1.893 nan 8.150 nan 0.000 0.421 779 Y N 1.203 121.416 120.300 -0.145 0.000 2.402 779 Y HA 0.443 4.993 4.550 -0.000 0.000 0.333 779 Y C 0.975 176.565 175.900 -0.517 0.000 1.076 779 Y CA 0.921 58.833 58.100 -0.314 0.000 1.299 779 Y CB 0.945 39.180 38.460 -0.375 0.000 1.197 779 Y HN 0.858 nan 8.280 nan 0.000 0.517 780 G N 5.953 114.226 108.800 -0.879 0.000 2.391 780 G HA2 0.093 4.053 3.960 -0.000 0.000 0.305 780 G HA3 0.093 4.053 3.960 -0.000 0.000 0.305 780 G C -0.268 174.293 174.900 -0.566 0.000 1.072 780 G CA -0.349 44.412 45.100 -0.565 0.000 1.016 780 G HN 0.928 nan 8.290 nan 0.000 0.418 781 Y N 1.666 122.005 120.300 0.064 0.000 2.373 781 Y HA -0.111 4.439 4.550 -0.000 0.000 0.293 781 Y C 2.952 178.829 175.900 -0.037 0.000 1.129 781 Y CA 1.522 59.758 58.100 0.226 0.000 1.226 781 Y CB 0.087 38.826 38.460 0.466 0.000 1.000 781 Y HN 0.490 nan 8.280 nan 0.000 0.549 782 T N -0.563 113.998 114.554 0.013 0.000 2.851 782 T HA -0.117 4.233 4.350 -0.000 0.000 0.262 782 T C 1.977 176.507 174.700 -0.283 0.000 1.043 782 T CA 1.556 63.492 62.100 -0.274 0.000 1.140 782 T CB -0.626 68.150 68.868 -0.154 0.000 0.872 782 T HN 0.349 nan 8.240 nan 0.000 0.446 783 V N -0.740 119.048 119.914 -0.210 0.000 3.541 783 V HA 0.620 4.740 4.120 -0.000 0.000 0.267 783 V C 1.307 177.257 176.094 -0.239 0.000 1.213 783 V CA 0.002 62.182 62.300 -0.199 0.000 1.149 783 V CB -1.456 30.265 31.823 -0.170 0.000 0.822 783 V HN 0.504 nan 8.190 nan 0.000 0.462 784 A N 0.719 123.372 122.820 -0.277 0.000 2.610 784 A HA -0.184 4.136 4.320 -0.000 0.000 0.299 784 A C 0.358 177.771 177.584 -0.285 0.000 1.487 784 A CA 1.643 53.567 52.037 -0.188 0.000 0.743 784 A CB -2.186 16.767 19.000 -0.078 0.000 1.070 784 A HN 1.177 nan 8.150 nan 0.000 0.439 785 K N -2.582 117.397 120.400 -0.700 0.000 2.597 785 K HA 0.719 5.039 4.320 -0.000 0.000 0.282 785 K C -3.652 172.482 176.600 -0.777 0.000 0.975 785 K CA -2.200 53.756 56.287 -0.551 0.000 0.867 785 K CB 1.228 33.579 32.500 -0.248 0.000 1.465 785 K HN -0.013 nan 8.250 nan 0.000 0.417 786 P HA 0.248 nan 4.420 nan 0.000 0.271 786 P C -0.798 176.386 177.300 -0.192 0.000 1.218 786 P CA -0.144 62.830 63.100 -0.209 0.000 0.780 786 P CB 0.461 32.152 31.700 -0.015 0.000 0.901 787 I N 1.352 121.835 120.570 -0.146 0.000 2.646 787 I HA 0.746 4.916 4.170 -0.000 0.000 0.299 787 I C -0.277 175.823 176.117 -0.028 0.000 1.036 787 I CA -0.806 60.430 61.300 -0.107 0.000 1.074 787 I CB 2.193 40.145 38.000 -0.080 0.000 1.258 787 I HN 0.298 nan 8.210 nan 0.000 0.430 788 A N 4.373 127.162 122.820 -0.053 0.000 2.520 788 A HA 0.751 5.071 4.320 -0.000 0.000 0.298 788 A C -1.909 175.628 177.584 -0.078 0.000 1.051 788 A CA -0.375 51.671 52.037 0.015 0.000 0.690 788 A CB 1.087 20.092 19.000 0.008 0.000 1.281 788 A HN 0.536 nan 8.150 nan 0.000 0.402 789 Y N 0.478 120.746 120.300 -0.053 0.000 2.457 789 Y HA 0.750 5.300 4.550 -0.000 0.000 0.333 789 Y C 0.840 176.656 175.900 -0.141 0.000 1.119 789 Y CA 0.114 58.148 58.100 -0.111 0.000 1.143 789 Y CB 2.287 40.671 38.460 -0.125 0.000 1.230 789 Y HN 0.786 nan 8.280 nan 0.000 0.469 790 S N 1.492 117.123 115.700 -0.116 0.000 2.535 790 S HA 0.448 4.918 4.470 -0.000 0.000 0.272 790 S C -1.783 172.651 174.600 -0.277 0.000 1.149 790 S CA -0.709 57.377 58.200 -0.190 0.000 0.888 790 S CB 0.350 63.467 63.200 -0.139 0.000 1.110 790 S HN 0.448 nan 8.310 nan 0.000 0.463 791 Y N 2.783 122.945 120.300 -0.231 0.000 2.480 791 Y HA 0.517 5.067 4.550 -0.000 0.000 0.338 791 Y C 0.461 176.286 175.900 -0.125 0.000 1.220 791 Y CA 0.284 58.290 58.100 -0.156 0.000 1.430 791 Y CB 0.546 38.919 38.460 -0.146 0.000 1.311 791 Y HN 0.494 nan 8.280 nan 0.000 0.575 792 L N 4.245 125.497 121.223 0.050 0.000 2.424 792 L HA 0.454 4.794 4.340 -0.000 0.000 0.258 792 L C -2.610 174.264 176.870 0.006 0.000 0.995 792 L CA -2.504 52.328 54.840 -0.014 0.000 0.821 792 L CB 2.549 44.552 42.059 -0.093 0.000 1.383 792 L HN 0.356 nan 8.230 nan 0.000 0.410 793 P HA -0.000 nan 4.420 nan 0.000 0.267 793 P C 0.604 177.880 177.300 -0.039 0.000 1.200 793 P CA 0.133 63.225 63.100 -0.014 0.000 0.772 793 P CB 0.699 32.381 31.700 -0.030 0.000 0.855 794 G N 1.505 110.301 108.800 -0.006 0.000 2.448 794 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.219 794 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.219 794 G C 1.178 176.057 174.900 -0.036 0.000 1.127 794 G CA 1.140 46.236 45.100 -0.007 0.000 0.766 794 G HN 0.582 nan 8.290 nan 0.000 0.552 795 T N -1.000 113.526 114.554 -0.047 0.000 3.035 795 T HA 0.117 4.467 4.350 -0.000 0.000 0.268 795 T C 0.969 175.591 174.700 -0.128 0.000 1.109 795 T CA 0.154 62.221 62.100 -0.056 0.000 1.119 795 T CB -0.091 68.763 68.868 -0.024 0.000 0.900 795 T HN -0.039 nan 8.240 nan 0.000 0.503 796 V N 2.335 122.115 119.914 -0.223 0.000 2.530 796 V HA 0.396 4.516 4.120 -0.000 0.000 0.282 796 V C 0.299 176.281 176.094 -0.187 0.000 1.048 796 V CA -0.494 61.593 62.300 -0.356 0.000 0.997 796 V CB 1.162 32.670 31.823 -0.526 0.000 0.987 796 V HN 0.392 nan 8.190 nan 0.000 0.477 797 S N 2.777 118.392 115.700 -0.142 0.000 2.621 797 S HA 0.560 5.030 4.470 -0.000 0.000 0.302 797 S C -0.249 174.309 174.600 -0.069 0.000 1.093 797 S CA -0.657 57.496 58.200 -0.078 0.000 1.017 797 S CB 1.955 65.129 63.200 -0.042 0.000 1.077 797 S HN 0.464 nan 8.310 nan 0.000 0.517 798 V N 2.067 121.947 119.914 -0.057 0.000 2.720 798 V HA 0.293 4.413 4.120 -0.000 0.000 0.307 798 V C 1.539 177.610 176.094 -0.038 0.000 1.071 798 V CA 1.826 64.094 62.300 -0.054 0.000 1.199 798 V CB -0.139 31.655 31.823 -0.048 0.000 0.900 798 V HN 1.321 nan 8.190 nan 0.000 0.494 799 G N 3.505 112.283 108.800 -0.037 0.000 2.241 799 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.244 799 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.244 799 G C -0.005 174.896 174.900 0.001 0.000 0.998 799 G CA 0.102 45.189 45.100 -0.021 0.000 0.621 799 G HN 0.676 nan 8.290 nan 0.000 0.519 800 D N 0.535 120.940 120.400 0.008 0.000 2.357 800 D HA 0.533 5.172 4.640 -0.000 0.000 0.242 800 D C 0.426 176.771 176.300 0.074 0.000 1.153 800 D CA 0.694 54.735 54.000 0.068 0.000 0.918 800 D CB 1.490 42.334 40.800 0.074 0.000 1.181 800 D HN 0.206 nan 8.370 nan 0.000 0.435 801 S N 0.063 115.842 115.700 0.132 0.000 2.525 801 S HA 0.658 5.128 4.470 -0.000 0.000 0.290 801 S C -0.547 174.159 174.600 0.177 0.000 1.152 801 S CA -0.647 57.615 58.200 0.102 0.000 1.072 801 S CB 0.513 63.749 63.200 0.060 0.000 1.027 801 S HN 0.283 nan 8.310 nan 0.000 0.500 802 V N 1.278 121.270 119.914 0.129 0.000 3.130 802 V HA 0.747 4.867 4.120 -0.000 0.000 0.310 802 V C -1.444 174.725 176.094 0.125 0.000 1.158 802 V CA -1.043 61.360 62.300 0.171 0.000 1.029 802 V CB 2.044 33.955 31.823 0.148 0.000 1.057 802 V HN 0.695 nan 8.190 nan 0.000 0.436 803 D N 1.397 121.900 120.400 0.172 0.000 2.256 803 D HA 0.693 5.333 4.640 -0.000 0.000 0.246 803 D C -0.653 175.787 176.300 0.234 0.000 1.042 803 D CA 0.013 54.107 54.000 0.156 0.000 0.841 803 D CB 2.082 42.948 40.800 0.110 0.000 1.223 803 D HN 0.664 nan 8.370 nan 0.000 0.470 804 I N 1.195 121.868 120.570 0.171 0.000 2.377 804 I HA 0.213 4.383 4.170 -0.000 0.000 0.293 804 I C 0.459 176.702 176.117 0.210 0.000 0.987 804 I CA -0.717 60.699 61.300 0.193 0.000 1.185 804 I CB 1.633 39.706 38.000 0.120 0.000 1.341 804 I HN 0.150 nan 8.210 nan 0.000 0.455 805 E N 5.983 126.339 120.200 0.260 0.000 2.167 805 E HA 0.207 4.557 4.350 -0.000 0.000 0.284 805 E C -1.791 174.921 176.600 0.186 0.000 1.016 805 E CA -0.543 55.972 56.400 0.192 0.000 0.817 805 E CB 1.085 30.903 29.700 0.197 0.000 1.080 805 E HN 0.489 nan 8.360 nan 0.000 0.397 806 Y N 5.460 125.786 120.300 0.043 0.000 2.326 806 Y HA 0.238 4.788 4.550 -0.000 0.000 0.329 806 Y C -0.879 175.096 175.900 0.124 0.000 0.973 806 Y CA -1.021 57.121 58.100 0.070 0.000 1.162 806 Y CB 0.378 38.939 38.460 0.170 0.000 1.147 806 Y HN 0.726 nan 8.280 nan 0.000 0.456 807 F N 4.695 124.390 119.950 -0.424 0.000 3.004 807 F HA -0.227 4.300 4.527 -0.000 0.000 0.264 807 F C 1.479 177.152 175.800 -0.212 0.000 0.979 807 F CA 1.645 59.390 58.000 -0.426 0.000 0.896 807 F CB -1.157 37.485 39.000 -0.597 0.000 0.813 807 F HN 0.968 nan 8.300 nan 0.000 0.804 808 G N -0.260 108.486 108.800 -0.089 0.000 2.205 808 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.261 808 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.261 808 G C 0.418 175.312 174.900 -0.011 0.000 0.980 808 G CA 0.245 45.313 45.100 -0.052 0.000 0.632 808 G HN 0.708 nan 8.290 nan 0.000 0.533 809 R N 0.545 121.074 120.500 0.049 0.000 2.393 809 R HA 0.551 4.891 4.340 -0.000 0.000 0.310 809 R C 0.018 176.359 176.300 0.069 0.000 0.968 809 R CA -0.944 55.192 56.100 0.059 0.000 0.867 809 R CB 0.483 30.845 30.300 0.103 0.000 1.124 809 R HN 0.057 nan 8.270 nan 0.000 0.450 810 R N 4.971 125.479 120.500 0.013 0.000 2.267 810 R HA 0.260 4.600 4.340 -0.000 0.000 0.319 810 R C -0.297 176.025 176.300 0.038 0.000 1.067 810 R CA -0.220 55.885 56.100 0.008 0.000 0.936 810 R CB 0.390 30.648 30.300 -0.071 0.000 1.006 810 R HN 0.564 nan 8.270 nan 0.000 0.452 811 I N 2.188 122.797 120.570 0.065 0.000 2.354 811 I HA 0.142 4.312 4.170 -0.000 0.000 0.292 811 I C 0.449 176.590 176.117 0.040 0.000 0.989 811 I CA -0.398 60.931 61.300 0.049 0.000 1.188 811 I CB 1.820 39.849 38.000 0.048 0.000 1.342 811 I HN 0.329 nan 8.210 nan 0.000 0.457 812 T N 5.739 120.307 114.554 0.023 0.000 2.884 812 T HA 0.586 4.936 4.350 -0.000 0.000 0.298 812 T C 0.053 174.760 174.700 0.010 0.000 0.998 812 T CA -0.375 61.737 62.100 0.020 0.000 1.124 812 T CB 1.058 69.931 68.868 0.009 0.000 0.931 812 T HN 0.710 nan 8.240 nan 0.000 0.531 813 A N 2.686 125.514 122.820 0.013 0.000 2.515 813 A HA 0.809 5.129 4.320 -0.000 0.000 0.296 813 A C -0.260 177.317 177.584 -0.012 0.000 1.094 813 A CA -0.831 51.199 52.037 -0.010 0.000 0.718 813 A CB 1.681 20.671 19.000 -0.016 0.000 1.307 813 A HN 0.658 nan 8.150 nan 0.000 0.408 814 T N 0.938 115.468 114.554 -0.039 0.000 2.824 814 T HA 0.482 4.832 4.350 -0.000 0.000 0.282 814 T C -0.377 174.279 174.700 -0.075 0.000 0.993 814 T CA -0.339 61.736 62.100 -0.041 0.000 0.967 814 T CB 1.324 70.166 68.868 -0.043 0.000 0.960 814 T HN 0.545 nan 8.240 nan 0.000 0.441 815 V N 4.427 124.299 119.914 -0.070 0.000 2.485 815 V HA 0.280 4.399 4.120 -0.000 0.000 0.287 815 V C 0.563 176.594 176.094 -0.104 0.000 1.022 815 V CA 0.197 62.434 62.300 -0.106 0.000 1.067 815 V CB 0.259 32.025 31.823 -0.096 0.000 0.967 815 V HN 0.989 nan 8.190 nan 0.000 0.479 816 T N 4.314 118.786 114.554 -0.137 0.000 2.893 816 T HA 0.336 4.686 4.350 -0.000 0.000 0.291 816 T C -0.280 174.353 174.700 -0.113 0.000 1.028 816 T CA -0.608 61.422 62.100 -0.116 0.000 0.995 816 T CB 1.815 70.608 68.868 -0.126 0.000 1.051 816 T HN 0.760 nan 8.240 nan 0.000 0.470 817 E N 2.234 122.385 120.200 -0.081 0.000 2.414 817 E HA 0.166 4.515 4.350 -0.000 0.000 0.263 817 E C -0.430 176.134 176.600 -0.060 0.000 1.000 817 E CA -0.224 56.138 56.400 -0.063 0.000 0.914 817 E CB 0.461 30.129 29.700 -0.053 0.000 0.948 817 E HN 0.623 nan 8.360 nan 0.000 0.444 818 D N 3.979 124.359 120.400 -0.034 0.000 2.340 818 D HA 0.395 5.035 4.640 -0.000 0.000 0.243 818 D C -2.407 173.879 176.300 -0.023 0.000 0.988 818 D CA -2.004 51.989 54.000 -0.010 0.000 0.959 818 D CB 0.438 41.283 40.800 0.074 0.000 1.226 818 D HN 0.089 nan 8.370 nan 0.000 0.509 819 P HA 0.166 nan 4.420 nan 0.000 0.272 819 P C 0.877 178.148 177.300 -0.048 0.000 1.223 819 P CA -0.451 62.616 63.100 -0.055 0.000 0.784 819 P CB 1.066 32.697 31.700 -0.116 0.000 0.923 820 L N 0.292 121.498 121.223 -0.027 0.000 2.141 820 L HA -0.046 4.294 4.340 -0.000 0.000 0.209 820 L C 1.024 177.908 176.870 0.024 0.000 1.094 820 L CA 1.087 55.913 54.840 -0.024 0.000 0.763 820 L CB -0.402 41.637 42.059 -0.034 0.000 0.908 820 L HN 0.436 nan 8.230 nan 0.000 0.437 821 Y N 0.259 120.489 120.300 -0.115 0.000 2.352 821 Y HA 0.223 4.773 4.550 -0.000 0.000 0.339 821 Y C -0.076 175.759 175.900 -0.108 0.000 0.992 821 Y CA -1.369 56.669 58.100 -0.102 0.000 1.100 821 Y CB 0.947 39.351 38.460 -0.093 0.000 1.192 821 Y HN 0.073 nan 8.280 nan 0.000 0.458 822 D N 6.244 126.237 120.400 -0.678 0.000 2.737 822 D HA -0.152 4.488 4.640 -0.000 0.000 0.238 822 D C -1.998 174.104 176.300 -0.330 0.000 1.157 822 D CA 0.707 54.319 54.000 -0.646 0.000 0.694 822 D CB 0.075 40.273 40.800 -1.004 0.000 1.021 822 D HN 0.506 nan 8.370 nan 0.000 0.420 823 P HA -0.138 nan 4.420 nan 0.000 0.226 823 P C 0.797 178.005 177.300 -0.153 0.000 1.153 823 P CA 0.828 63.832 63.100 -0.159 0.000 0.777 823 P CB 0.170 31.797 31.700 -0.121 0.000 0.794 824 K N -0.505 119.796 120.400 -0.165 0.000 2.417 824 K HA 0.241 4.561 4.320 -0.000 0.000 0.196 824 K C 0.740 177.244 176.600 -0.161 0.000 1.023 824 K CA -0.090 56.111 56.287 -0.144 0.000 1.122 824 K CB -0.309 32.117 32.500 -0.122 0.000 0.850 824 K HN 0.027 nan 8.250 nan 0.000 0.521 825 M N 0.265 119.752 119.600 -0.188 0.000 2.751 825 M HA -0.242 4.238 4.480 -0.000 0.000 0.199 825 M C 1.257 177.440 176.300 -0.196 0.000 0.550 825 M CA 1.167 56.349 55.300 -0.196 0.000 0.640 825 M CB -2.247 30.229 32.600 -0.206 0.000 2.351 825 M HN 0.313 nan 8.290 nan 0.000 0.613 826 T N -1.927 112.520 114.554 -0.179 0.000 2.833 826 T HA -0.117 4.232 4.350 -0.000 0.000 0.269 826 T C 1.575 176.201 174.700 -0.124 0.000 1.054 826 T CA 1.313 63.328 62.100 -0.142 0.000 1.135 826 T CB -0.086 68.707 68.868 -0.124 0.000 0.869 826 T HN 0.541 nan 8.240 nan 0.000 0.466 827 R N 0.767 121.190 120.500 -0.127 0.000 2.236 827 R HA 0.316 4.655 4.340 -0.000 0.000 0.208 827 R C 2.250 178.496 176.300 -0.089 0.000 1.036 827 R CA 0.439 56.497 56.100 -0.070 0.000 1.001 827 R CB -0.689 29.611 30.300 -0.001 0.000 0.896 827 R HN 0.451 nan 8.270 nan 0.000 0.464 828 L N -0.144 120.985 121.223 -0.157 0.000 2.357 828 L HA 0.107 4.447 4.340 -0.000 0.000 0.211 828 L C 0.735 177.398 176.870 -0.344 0.000 1.075 828 L CA 0.264 54.965 54.840 -0.232 0.000 0.830 828 L CB 0.055 41.922 42.059 -0.320 0.000 0.996 828 L HN -0.114 nan 8.230 nan 0.000 0.467 829 R N 0.468 120.787 120.500 -0.302 0.000 2.532 829 R HA 0.569 4.909 4.340 -0.000 0.000 0.272 829 R C 0.271 176.504 176.300 -0.111 0.000 1.032 829 R CA 0.074 56.018 56.100 -0.259 0.000 1.089 829 R CB 0.390 30.560 30.300 -0.217 0.000 1.098 829 R HN 0.180 nan 8.270 nan 0.000 0.526 830 G N 0.000 108.765 108.800 -0.059 0.000 5.446 830 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 830 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 830 G CA 0.000 45.097 45.100 -0.005 0.000 0.502 830 G HN 0.000 nan 8.290 nan 0.000 0.925