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 2igm_1_E DATA FIRST_RESID 43 DATA SEQUENCE MDIKYDVVIV GSGPIGCTYA RELVGAGYKV AMFDIGEIDS GLKIGAHKKN DATA SEQUENCE TVEYQKNIDK FVNVIQGQLM SVSVPVNTLV VDTLSPTSWQ ASTFFVRNGS DATA SEQUENCE NPEQDPLRNL SGQAVTRVVG GMSTHWTCAT PRFDREQRPL LVKDDADADD DATA SEQUENCE AEWDRLYTKA ESYFQTGTDQ FKESIRHNLV LNKLTEEYKG QRDFQQIPLA DATA SEQUENCE ATRRSPTFVE WSSANTVFDL QNRPNTDAPE ERFNLFPAVA CERVVRNALN DATA SEQUENCE SEIESLHIHD LISGDRFEIK ADVYVLTAGA VHNTQLLVNS GFGQLGRPNP DATA SEQUENCE ANPPELLPSL GSYITEQSLV FCQTVMSTEL IDSVKSDMTI RGTPGELTYS DATA SEQUENCE VTYTPGASTN KHPDWWNEKV KNHMMQHQED PLPIPFEDPE PQVTTLFQPS DATA SEQUENCE HPWHTQIHRD AFSYGAVQQS IDSRLIVDWR FFGRTEPKEE NKLWFSDKIT DATA SEQUENCE DAYNMPQPTF DFRFPAGRTS KEAEDMMTDM CVMSAKIGGF LPGSLPQFME DATA SEQUENCE PGLVLNLGGT HRMGFDEKED NCCVNTDSRV FGFKNLFLGG CGNIPTAYGA DATA SEQUENCE NPTLTAMSLA IKSCEYIKQN FTPSPFT 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 43 M HA 0.000 nan 4.480 nan 0.000 0.227 43 M C 0.000 176.266 176.300 -0.056 0.000 1.140 43 M CA 0.000 55.289 55.300 -0.018 0.000 0.988 43 M CB 0.000 32.355 32.600 -0.408 0.000 1.302 44 D N 4.037 124.439 120.400 0.003 0.000 2.377 44 D HA 0.367 5.007 4.640 -0.000 0.000 0.245 44 D C 0.976 177.202 176.300 -0.124 0.000 1.196 44 D CA -0.119 53.781 54.000 -0.167 0.000 0.962 44 D CB 1.012 41.544 40.800 -0.447 0.000 1.127 44 D HN 0.688 nan 8.370 nan 0.000 0.471 45 I N -1.018 119.471 120.570 -0.135 0.000 3.860 45 I HA 0.039 4.209 4.170 -0.000 0.000 0.319 45 I C 0.587 176.680 176.117 -0.040 0.000 1.279 45 I CA 0.136 61.412 61.300 -0.040 0.000 1.220 45 I CB 0.046 38.038 38.000 -0.015 0.000 1.027 45 I HN -0.010 nan 8.210 nan 0.000 0.428 46 K N 1.059 121.309 120.400 -0.251 0.000 2.507 46 K HA 0.498 4.818 4.320 -0.000 0.000 0.252 46 K C -1.628 174.655 176.600 -0.529 0.000 0.943 46 K CA -0.342 55.812 56.287 -0.221 0.000 0.808 46 K CB 1.092 33.512 32.500 -0.133 0.000 1.142 46 K HN -0.136 nan 8.250 nan 0.000 0.426 47 Y N 1.128 121.414 120.300 -0.023 0.000 2.602 47 Y HA 0.262 4.812 4.550 -0.000 0.000 0.342 47 Y C 0.810 176.683 175.900 -0.046 0.000 1.029 47 Y CA -0.782 57.296 58.100 -0.037 0.000 1.080 47 Y CB 1.668 40.104 38.460 -0.039 0.000 1.284 47 Y HN 0.598 nan 8.280 nan 0.000 0.485 48 D N 0.171 120.647 120.400 0.128 0.000 2.097 48 D HA -0.020 4.620 4.640 -0.000 0.000 0.197 48 D C -0.223 176.069 176.300 -0.013 0.000 0.984 48 D CA 1.565 55.627 54.000 0.104 0.000 0.826 48 D CB 0.124 41.060 40.800 0.228 0.000 0.973 48 D HN 0.115 nan 8.370 nan 0.000 0.460 49 V N 1.034 120.931 119.914 -0.029 0.000 2.638 49 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 49 V C -0.275 175.725 176.094 -0.157 0.000 1.052 49 V CA -1.034 61.158 62.300 -0.179 0.000 0.885 49 V CB 2.454 34.138 31.823 -0.233 0.000 0.999 49 V HN 0.003 nan 8.190 nan 0.000 0.424 50 V N 2.985 122.768 119.914 -0.219 0.000 2.495 50 V HA 0.738 4.858 4.120 -0.000 0.000 0.298 50 V C -0.614 175.425 176.094 -0.091 0.000 1.031 50 V CA -0.596 61.635 62.300 -0.116 0.000 0.871 50 V CB 1.616 33.448 31.823 0.016 0.000 0.988 50 V HN 0.682 nan 8.190 nan 0.000 0.432 51 I N 4.394 124.929 120.570 -0.058 0.000 2.406 51 I HA 0.478 4.647 4.170 -0.000 0.000 0.290 51 I C -0.480 175.660 176.117 0.039 0.000 0.999 51 I CA -0.937 60.319 61.300 -0.073 0.000 1.124 51 I CB 2.196 40.137 38.000 -0.097 0.000 1.289 51 I HN 0.434 nan 8.210 nan 0.000 0.441 52 V N 5.664 125.587 119.914 0.016 0.000 2.334 52 V HA 0.762 4.882 4.120 -0.000 0.000 0.267 52 V C 0.485 176.588 176.094 0.016 0.000 1.040 52 V CA -0.238 62.094 62.300 0.053 0.000 0.866 52 V CB 0.377 32.207 31.823 0.012 0.000 1.019 52 V HN 1.070 nan 8.190 nan 0.000 0.468 53 G N 3.969 112.794 108.800 0.042 0.000 2.906 53 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.686 53 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.686 53 G C -0.039 174.878 174.900 0.028 0.000 1.170 53 G CA -0.249 44.867 45.100 0.028 0.000 0.775 53 G HN 1.256 nan 8.290 nan 0.000 0.630 54 S N 0.912 116.632 115.700 0.033 0.000 2.601 54 S HA 0.602 5.072 4.470 -0.000 0.000 0.244 54 S C 1.313 175.924 174.600 0.018 0.000 1.001 54 S CA 0.741 58.966 58.200 0.043 0.000 0.984 54 S CB 0.590 63.828 63.200 0.064 0.000 0.842 54 S HN 1.961 nan 8.310 nan 0.000 0.474 55 G N 2.760 111.559 108.800 -0.002 0.000 2.631 55 G HA2 0.366 4.326 3.960 -0.000 0.000 0.271 55 G HA3 0.366 4.326 3.960 -0.000 0.000 0.271 55 G C -1.114 173.755 174.900 -0.051 0.000 1.302 55 G CA -1.183 43.894 45.100 -0.039 0.000 1.002 55 G HN 0.250 nan 8.290 nan 0.000 0.519 56 P HA -0.069 nan 4.420 nan 0.000 0.220 56 P C 1.692 178.919 177.300 -0.122 0.000 1.148 56 P CA 0.733 63.764 63.100 -0.115 0.000 0.803 56 P CB 0.187 31.821 31.700 -0.110 0.000 0.782 57 I N 0.163 120.699 120.570 -0.057 0.000 2.277 57 I HA -0.028 4.142 4.170 -0.000 0.000 0.243 57 I C 2.729 178.895 176.117 0.083 0.000 1.094 57 I CA 1.521 62.822 61.300 0.001 0.000 1.393 57 I CB -2.301 35.729 38.000 0.051 0.000 1.078 57 I HN -0.003 nan 8.210 nan 0.000 0.417 58 G N 0.429 109.262 108.800 0.056 0.000 2.469 58 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.219 58 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.219 58 G C 1.767 176.663 174.900 -0.006 0.000 1.150 58 G CA 1.154 46.281 45.100 0.044 0.000 0.763 58 G HN 0.416 nan 8.290 nan 0.000 0.561 59 C N 0.522 119.791 119.300 -0.051 0.000 2.432 59 C HA 0.044 4.503 4.460 -0.000 0.000 0.280 59 C C 3.180 178.033 174.990 -0.228 0.000 1.353 59 C CA 1.324 60.269 59.018 -0.123 0.000 1.766 59 C CB -0.972 26.748 27.740 -0.033 0.000 1.924 59 C HN 0.457 nan 8.230 nan 0.000 0.509 60 T N 0.003 114.445 114.554 -0.186 0.000 2.708 60 T HA -0.159 4.191 4.350 -0.000 0.000 0.266 60 T C 1.478 176.013 174.700 -0.274 0.000 1.037 60 T CA 1.621 63.581 62.100 -0.234 0.000 1.146 60 T CB -0.391 68.356 68.868 -0.201 0.000 0.865 60 T HN 0.549 nan 8.240 nan 0.000 0.435 61 Y N 1.466 121.622 120.300 -0.239 0.000 2.181 61 Y HA -0.019 4.531 4.550 -0.000 0.000 0.288 61 Y C 2.728 178.410 175.900 -0.362 0.000 1.146 61 Y CA 0.891 58.832 58.100 -0.265 0.000 1.164 61 Y CB -0.739 37.584 38.460 -0.229 0.000 0.982 61 Y HN 0.192 nan 8.280 nan 0.000 0.515 62 A N 0.193 122.819 122.820 -0.323 0.000 1.858 62 A HA -0.240 4.080 4.320 -0.000 0.000 0.216 62 A C 2.306 179.329 177.584 -0.936 0.000 1.190 62 A CA 1.885 53.488 52.037 -0.724 0.000 0.617 62 A CB -0.822 17.489 19.000 -1.149 0.000 0.827 62 A HN 0.418 nan 8.150 nan 0.000 0.443 63 R N -0.460 119.526 120.500 -0.855 0.000 2.096 63 R HA -0.193 4.147 4.340 -0.000 0.000 0.240 63 R C 2.071 178.167 176.300 -0.340 0.000 1.139 63 R CA 1.920 57.683 56.100 -0.561 0.000 0.952 63 R CB -0.291 29.708 30.300 -0.502 0.000 0.854 63 R HN 0.576 nan 8.270 nan 0.000 0.436 64 E N 0.346 120.377 120.200 -0.281 0.000 2.047 64 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 64 E C 2.122 178.663 176.600 -0.099 0.000 0.987 64 E CA 1.257 57.569 56.400 -0.147 0.000 0.799 64 E CB -0.071 29.536 29.700 -0.155 0.000 0.752 64 E HN 0.438 nan 8.360 nan 0.000 0.449 65 L N 0.211 121.346 121.223 -0.146 0.000 2.249 65 L HA -0.030 4.310 4.340 -0.000 0.000 0.207 65 L C 2.472 179.384 176.870 0.071 0.000 1.090 65 L CA 0.181 54.987 54.840 -0.057 0.000 0.802 65 L CB -0.122 41.781 42.059 -0.259 0.000 0.947 65 L HN -0.060 nan 8.230 nan 0.000 0.453 66 V N 0.483 120.341 119.914 -0.092 0.000 2.427 66 V HA -0.156 3.964 4.120 -0.000 0.000 0.248 66 V C 2.593 178.706 176.094 0.032 0.000 1.051 66 V CA 1.995 64.278 62.300 -0.027 0.000 1.048 66 V CB -1.039 30.693 31.823 -0.151 0.000 0.666 66 V HN 0.547 nan 8.190 nan 0.000 0.456 67 G N -0.478 108.320 108.800 -0.003 0.000 2.443 67 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.219 67 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.219 67 G C 1.455 176.382 174.900 0.046 0.000 1.131 67 G CA 0.776 45.891 45.100 0.025 0.000 0.775 67 G HN 0.615 nan 8.290 nan 0.000 0.547 68 A N -0.369 122.501 122.820 0.083 0.000 2.251 68 A HA 0.487 4.807 4.320 -0.000 0.000 0.209 68 A C 1.925 179.514 177.584 0.008 0.000 1.187 68 A CA 1.183 53.279 52.037 0.098 0.000 0.823 68 A CB -0.430 18.708 19.000 0.231 0.000 0.846 68 A HN 1.516 nan 8.150 nan 0.000 0.486 69 G N -2.131 106.681 108.800 0.020 0.000 2.157 69 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.248 69 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.248 69 G C -0.025 174.796 174.900 -0.132 0.000 0.979 69 G CA 0.195 45.261 45.100 -0.057 0.000 0.650 69 G HN 0.429 nan 8.290 nan 0.000 0.529 70 Y N 0.413 120.700 120.300 -0.020 0.000 2.397 70 Y HA 0.415 4.965 4.550 -0.000 0.000 0.335 70 Y C 1.120 176.999 175.900 -0.034 0.000 1.213 70 Y CA 0.105 58.188 58.100 -0.028 0.000 1.391 70 Y CB 0.705 39.142 38.460 -0.038 0.000 1.293 70 Y HN 0.099 nan 8.280 nan 0.000 0.557 71 K N 2.840 123.308 120.400 0.114 0.000 2.273 71 K HA 0.402 4.722 4.320 -0.000 0.000 0.287 71 K C -1.579 175.112 176.600 0.153 0.000 1.089 71 K CA -0.173 56.156 56.287 0.070 0.000 0.909 71 K CB 0.014 32.518 32.500 0.008 0.000 1.123 71 K HN 0.503 nan 8.250 nan 0.000 0.473 72 V N 3.438 123.427 119.914 0.124 0.000 2.435 72 V HA 0.536 4.656 4.120 -0.000 0.000 0.290 72 V C -0.107 175.881 176.094 -0.178 0.000 1.030 72 V CA -0.924 61.402 62.300 0.044 0.000 0.881 72 V CB 1.316 33.211 31.823 0.120 0.000 0.983 72 V HN 0.877 nan 8.190 nan 0.000 0.445 73 A N 5.884 128.432 122.820 -0.452 0.000 2.324 73 A HA 0.937 5.257 4.320 -0.000 0.000 0.330 73 A C -0.573 176.646 177.584 -0.609 0.000 1.165 73 A CA -0.622 50.911 52.037 -0.840 0.000 0.813 73 A CB 1.426 19.536 19.000 -1.484 0.000 1.197 73 A HN 0.921 nan 8.150 nan 0.000 0.484 74 M N 2.404 121.565 119.600 -0.732 0.000 2.327 74 M HA 0.699 5.179 4.480 -0.000 0.000 0.298 74 M C -2.213 173.777 176.300 -0.517 0.000 1.065 74 M CA -0.375 54.694 55.300 -0.385 0.000 0.916 74 M CB 1.149 33.716 32.600 -0.055 0.000 1.630 74 M HN 0.589 nan 8.290 nan 0.000 0.442 75 F N 2.445 122.392 119.950 -0.006 0.000 2.469 75 F HA 0.572 5.099 4.527 -0.000 0.000 0.332 75 F C -0.090 175.710 175.800 0.000 0.000 1.103 75 F CA -0.449 57.567 58.000 0.027 0.000 0.979 75 F CB 1.445 40.443 39.000 -0.005 0.000 1.137 75 F HN 0.458 nan 8.300 nan 0.000 0.463 76 D N 2.861 123.360 120.400 0.165 0.000 2.879 76 D HA 0.226 4.865 4.640 -0.000 0.000 0.236 76 D C 0.589 176.915 176.300 0.042 0.000 1.171 76 D CA -0.335 53.709 54.000 0.074 0.000 0.868 76 D CB 2.440 43.267 40.800 0.045 0.000 1.598 76 D HN 0.642 nan 8.370 nan 0.000 0.497 77 I N 2.029 122.576 120.570 -0.038 0.000 2.493 77 I HA -0.003 4.167 4.170 -0.000 0.000 0.254 77 I C 1.135 177.205 176.117 -0.078 0.000 1.160 77 I CA 0.885 62.109 61.300 -0.127 0.000 1.445 77 I CB 0.173 37.976 38.000 -0.330 0.000 1.086 77 I HN 0.339 nan 8.210 nan 0.000 0.433 78 G N -0.175 108.605 108.800 -0.033 0.000 2.568 78 G HA2 0.427 4.387 3.960 -0.000 0.000 0.293 78 G HA3 0.427 4.387 3.960 -0.000 0.000 0.293 78 G C -0.924 173.996 174.900 0.034 0.000 1.347 78 G CA -0.432 44.676 45.100 0.013 0.000 1.039 78 G HN 0.299 nan 8.290 nan 0.000 0.523 79 E N -1.351 118.876 120.200 0.044 0.000 2.320 79 E HA 0.360 4.710 4.350 -0.000 0.000 0.264 79 E C -0.527 176.099 176.600 0.045 0.000 0.923 79 E CA -0.771 55.656 56.400 0.045 0.000 0.796 79 E CB 2.600 32.330 29.700 0.049 0.000 1.262 79 E HN 0.277 nan 8.360 nan 0.000 0.428 80 I N 2.715 123.309 120.570 0.040 0.000 2.581 80 I HA -0.026 4.144 4.170 -0.000 0.000 0.285 80 I C 0.003 176.150 176.117 0.050 0.000 1.129 80 I CA 0.796 62.121 61.300 0.041 0.000 1.397 80 I CB 0.031 38.050 38.000 0.031 0.000 1.399 80 I HN 0.544 nan 8.210 nan 0.000 0.537 81 D N 2.934 123.370 120.400 0.061 0.000 3.120 81 D HA 0.008 4.648 4.640 -0.000 0.000 0.331 81 D C -0.106 176.250 176.300 0.094 0.000 1.595 81 D CA -0.301 53.742 54.000 0.072 0.000 0.771 81 D CB -0.142 40.700 40.800 0.070 0.000 1.274 81 D HN 0.244 nan 8.370 nan 0.000 0.503 82 S N 0.016 115.773 115.700 0.096 0.000 2.601 82 S HA 0.622 5.092 4.470 -0.000 0.000 0.244 82 S C 0.907 175.579 174.600 0.120 0.000 1.001 82 S CA 0.088 58.362 58.200 0.124 0.000 0.984 82 S CB 0.694 63.969 63.200 0.124 0.000 0.842 82 S HN 0.884 nan 8.310 nan 0.000 0.474 83 G N 1.400 110.258 108.800 0.098 0.000 2.632 83 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.224 83 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.224 83 G C 0.325 175.261 174.900 0.060 0.000 1.341 83 G CA -0.292 44.857 45.100 0.082 0.000 0.880 83 G HN 0.298 nan 8.290 nan 0.000 0.566 84 L N 0.216 121.468 121.223 0.050 0.000 2.291 84 L HA 0.088 4.428 4.340 -0.000 0.000 0.214 84 L C 1.507 178.392 176.870 0.024 0.000 1.120 84 L CA 1.050 55.908 54.840 0.030 0.000 0.799 84 L CB -0.352 41.720 42.059 0.022 0.000 0.925 84 L HN 0.332 nan 8.230 nan 0.000 0.446 85 K N 1.694 122.118 120.400 0.039 0.000 2.273 85 K HA 0.321 4.641 4.320 -0.000 0.000 0.287 85 K C -0.306 176.317 176.600 0.039 0.000 1.089 85 K CA -0.221 56.085 56.287 0.032 0.000 0.909 85 K CB 0.909 33.441 32.500 0.052 0.000 1.123 85 K HN 0.083 nan 8.250 nan 0.000 0.473 86 I N 2.037 122.614 120.570 0.011 0.000 2.598 86 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 86 I C 1.347 177.483 176.117 0.031 0.000 1.140 86 I CA 0.744 62.056 61.300 0.019 0.000 1.420 86 I CB 0.412 38.414 38.000 0.002 0.000 1.387 86 I HN 0.964 nan 8.210 nan 0.000 0.553 87 G N 4.365 113.195 108.800 0.050 0.000 2.153 87 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.252 87 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.252 87 G C 0.326 175.274 174.900 0.080 0.000 0.994 87 G CA 0.114 45.247 45.100 0.055 0.000 0.698 87 G HN 0.959 nan 8.290 nan 0.000 0.521 88 A N -0.404 122.480 122.820 0.107 0.000 2.287 88 A HA 0.622 4.942 4.320 -0.000 0.000 0.273 88 A C 0.558 178.269 177.584 0.210 0.000 1.091 88 A CA -0.339 51.798 52.037 0.166 0.000 0.817 88 A CB 0.313 19.410 19.000 0.162 0.000 1.069 88 A HN 0.600 nan 8.150 nan 0.000 0.492 89 H N 0.544 119.749 119.070 0.224 0.000 2.848 89 H HA 0.102 4.658 4.556 -0.000 0.000 0.317 89 H C 0.721 176.184 175.328 0.224 0.000 1.046 89 H CA 0.712 56.910 56.048 0.251 0.000 1.470 89 H CB 0.815 30.746 29.762 0.281 0.000 1.483 89 H HN 0.687 nan 8.280 nan 0.000 0.548 90 K N 3.315 123.946 120.400 0.385 0.000 2.362 90 K HA -0.113 4.207 4.320 -0.000 0.000 0.200 90 K C 1.638 178.494 176.600 0.427 0.000 1.046 90 K CA 0.943 57.500 56.287 0.451 0.000 0.952 90 K CB 0.300 33.100 32.500 0.500 0.000 0.753 90 K HN 0.488 nan 8.250 nan 0.000 0.466 91 K N 0.402 120.925 120.400 0.206 0.000 2.444 91 K HA 0.043 4.363 4.320 -0.000 0.000 0.193 91 K C 0.285 176.888 176.600 0.005 0.000 1.024 91 K CA 0.381 56.460 56.287 -0.346 0.000 1.077 91 K CB 0.294 32.001 32.500 -1.321 0.000 0.833 91 K HN -0.101 nan 8.250 nan 0.000 0.517 92 N N 2.240 121.055 118.700 0.192 0.000 2.466 92 N HA -0.001 4.739 4.740 -0.000 0.000 0.251 92 N C -0.729 175.016 175.510 0.390 0.000 1.164 92 N CA 0.318 53.505 53.050 0.229 0.000 0.888 92 N CB 0.807 39.481 38.487 0.312 0.000 1.177 92 N HN 0.399 nan 8.380 nan 0.000 0.498 93 T N -4.043 110.720 114.554 0.348 0.000 2.929 93 T HA 0.325 4.675 4.350 -0.000 0.000 0.284 93 T C 1.591 176.500 174.700 0.347 0.000 1.014 93 T CA -0.766 61.531 62.100 0.328 0.000 1.051 93 T CB 1.707 70.712 68.868 0.228 0.000 1.028 93 T HN -0.187 nan 8.240 nan 0.000 0.485 94 V N 1.375 121.484 119.914 0.326 0.000 2.392 94 V HA -0.132 3.988 4.120 -0.000 0.000 0.249 94 V C 2.886 179.066 176.094 0.143 0.000 1.059 94 V CA 1.763 64.233 62.300 0.283 0.000 1.051 94 V CB -0.830 31.087 31.823 0.157 0.000 0.658 94 V HN 0.883 nan 8.190 nan 0.000 0.455 95 E N -0.467 119.758 120.200 0.041 0.000 2.077 95 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 95 E C 2.158 178.708 176.600 -0.083 0.000 0.989 95 E CA 1.609 57.961 56.400 -0.081 0.000 0.800 95 E CB -0.277 29.278 29.700 -0.242 0.000 0.746 95 E HN 0.741 nan 8.360 nan 0.000 0.452 96 Y N 1.199 121.571 120.300 0.120 0.000 2.314 96 Y HA -0.072 4.478 4.550 -0.000 0.000 0.293 96 Y C 2.438 178.360 175.900 0.036 0.000 1.129 96 Y CA 0.763 58.921 58.100 0.097 0.000 1.201 96 Y CB -0.196 38.329 38.460 0.108 0.000 0.999 96 Y HN 0.052 nan 8.280 nan 0.000 0.541 97 Q N 0.319 120.204 119.800 0.142 0.000 2.224 97 Q HA -0.137 4.203 4.340 -0.000 0.000 0.203 97 Q C 1.674 177.730 176.000 0.094 0.000 0.970 97 Q CA 1.109 56.944 55.803 0.053 0.000 0.865 97 Q CB -0.162 28.549 28.738 -0.045 0.000 0.922 97 Q HN 0.504 nan 8.270 nan 0.000 0.445 98 K N 0.317 120.780 120.400 0.106 0.000 2.314 98 K HA 0.064 4.384 4.320 -0.000 0.000 0.198 98 K C 0.408 177.060 176.600 0.086 0.000 1.045 98 K CA 0.307 56.644 56.287 0.084 0.000 0.988 98 K CB 0.459 32.998 32.500 0.066 0.000 0.783 98 K HN 0.091 nan 8.250 nan 0.000 0.484 99 N N 1.233 120.006 118.700 0.121 0.000 2.733 99 N HA 0.047 4.787 4.740 -0.000 0.000 0.271 99 N C 0.153 175.802 175.510 0.233 0.000 1.720 99 N CA 0.006 53.144 53.050 0.147 0.000 0.803 99 N CB 1.093 39.650 38.487 0.118 0.000 1.208 99 N HN -0.004 nan 8.380 nan 0.000 0.498 100 I N 1.095 121.777 120.570 0.187 0.000 2.226 100 I HA -0.200 3.970 4.170 -0.000 0.000 0.245 100 I C 1.063 177.304 176.117 0.207 0.000 1.100 100 I CA 1.721 63.130 61.300 0.181 0.000 1.374 100 I CB 0.015 38.087 38.000 0.121 0.000 1.057 100 I HN 0.175 nan 8.210 nan 0.000 0.413 101 D N 0.759 121.278 120.400 0.199 0.000 2.264 101 D HA -0.145 4.495 4.640 -0.000 0.000 0.208 101 D C 2.020 178.418 176.300 0.162 0.000 0.966 101 D CA 0.574 54.689 54.000 0.192 0.000 0.864 101 D CB -0.093 40.848 40.800 0.235 0.000 0.933 101 D HN 0.287 nan 8.370 nan 0.000 0.499 102 K N 0.091 120.622 120.400 0.218 0.000 2.280 102 K HA -0.115 4.205 4.320 -0.000 0.000 0.202 102 K C 1.759 178.463 176.600 0.174 0.000 1.047 102 K CA 0.134 56.560 56.287 0.231 0.000 0.942 102 K CB -0.432 32.267 32.500 0.332 0.000 0.739 102 K HN 0.233 nan 8.250 nan 0.000 0.457 103 F N 1.414 121.337 119.950 -0.044 0.000 2.365 103 F HA -0.151 4.376 4.527 -0.000 0.000 0.300 103 F C 1.873 177.555 175.800 -0.196 0.000 1.090 103 F CA 0.433 58.242 58.000 -0.317 0.000 1.408 103 F CB -0.060 38.726 39.000 -0.357 0.000 1.060 103 F HN -0.294 nan 8.300 nan 0.000 0.534 104 V N 0.551 120.386 119.914 -0.131 0.000 2.380 104 V HA -0.392 3.728 4.120 -0.000 0.000 0.251 104 V C 1.842 177.761 176.094 -0.291 0.000 1.063 104 V CA 2.464 64.638 62.300 -0.210 0.000 1.055 104 V CB -1.000 30.718 31.823 -0.175 0.000 0.657 104 V HN 0.387 nan 8.190 nan 0.000 0.455 105 N N -0.138 118.420 118.700 -0.237 0.000 2.166 105 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 105 N C 1.652 176.990 175.510 -0.286 0.000 1.019 105 N CA 1.311 54.239 53.050 -0.203 0.000 0.856 105 N CB -0.313 38.117 38.487 -0.096 0.000 0.993 105 N HN 0.344 nan 8.380 nan 0.000 0.426 106 V N 1.400 121.025 119.914 -0.481 0.000 2.295 106 V HA -0.228 3.892 4.120 -0.000 0.000 0.246 106 V C 2.066 177.823 176.094 -0.562 0.000 1.049 106 V CA 1.476 63.424 62.300 -0.587 0.000 1.024 106 V CB -0.583 30.596 31.823 -1.074 0.000 0.648 106 V HN 0.298 nan 8.190 nan 0.000 0.447 107 I N -0.218 119.922 120.570 -0.717 0.000 2.099 107 I HA -0.364 3.806 4.170 -0.000 0.000 0.239 107 I C 2.740 178.608 176.117 -0.416 0.000 1.066 107 I CA 1.951 62.888 61.300 -0.606 0.000 1.324 107 I CB -0.553 37.144 38.000 -0.504 0.000 1.037 107 I HN 0.344 nan 8.210 nan 0.000 0.401 108 Q N 0.440 120.053 119.800 -0.311 0.000 2.135 108 Q HA -0.155 4.185 4.340 -0.000 0.000 0.204 108 Q C 2.260 178.164 176.000 -0.160 0.000 0.981 108 Q CA 1.556 57.233 55.803 -0.210 0.000 0.856 108 Q CB -0.427 28.204 28.738 -0.178 0.000 0.902 108 Q HN 0.671 nan 8.270 nan 0.000 0.425 109 G N 0.941 109.643 108.800 -0.163 0.000 2.598 109 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.215 109 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.215 109 G C 0.935 175.792 174.900 -0.072 0.000 1.131 109 G CA 0.509 45.548 45.100 -0.100 0.000 0.785 109 G HN 0.466 nan 8.290 nan 0.000 0.539 110 Q N -0.591 119.150 119.800 -0.098 0.000 2.135 110 Q HA 0.404 4.744 4.340 -0.000 0.000 0.231 110 Q C -0.242 175.750 176.000 -0.013 0.000 0.817 110 Q CA -0.285 55.501 55.803 -0.028 0.000 1.073 110 Q CB 0.168 28.916 28.738 0.016 0.000 1.176 110 Q HN 0.238 nan 8.270 nan 0.000 0.478 111 L N 2.119 123.308 121.223 -0.057 0.000 2.283 111 L HA 0.496 4.836 4.340 -0.000 0.000 0.281 111 L C -0.903 175.969 176.870 0.003 0.000 1.033 111 L CA -0.793 54.033 54.840 -0.023 0.000 0.848 111 L CB 1.098 43.112 42.059 -0.074 0.000 1.226 111 L HN 0.197 nan 8.230 nan 0.000 0.429 112 M N 2.041 121.668 119.600 0.045 0.000 2.113 112 M HA 0.255 4.735 4.480 -0.000 0.000 0.352 112 M C 0.310 176.645 176.300 0.059 0.000 1.170 112 M CA -0.010 55.323 55.300 0.055 0.000 1.053 112 M CB 1.509 34.165 32.600 0.093 0.000 1.601 112 M HN 0.299 nan 8.290 nan 0.000 0.459 113 S N 1.942 117.665 115.700 0.038 0.000 2.546 113 S HA 0.101 4.571 4.470 -0.000 0.000 0.290 113 S C 1.503 176.137 174.600 0.057 0.000 1.290 113 S CA -0.624 57.599 58.200 0.037 0.000 1.069 113 S CB 0.537 63.748 63.200 0.017 0.000 0.846 113 S HN 0.583 nan 8.310 nan 0.000 0.495 114 V N 2.547 122.506 119.914 0.075 0.000 2.307 114 V HA -0.011 4.109 4.120 -0.000 0.000 0.245 114 V C 1.211 177.313 176.094 0.014 0.000 1.045 114 V CA 1.453 63.791 62.300 0.064 0.000 1.024 114 V CB -0.063 31.834 31.823 0.124 0.000 0.651 114 V HN 0.798 nan 8.190 nan 0.000 0.449 115 S N -0.627 115.100 115.700 0.044 0.000 2.720 115 S HA 0.532 5.002 4.470 -0.000 0.000 0.278 115 S C -1.171 173.433 174.600 0.007 0.000 1.172 115 S CA -0.474 57.718 58.200 -0.013 0.000 1.019 115 S CB 1.521 64.684 63.200 -0.063 0.000 1.049 115 S HN 0.004 nan 8.310 nan 0.000 0.483 116 V N 7.775 127.679 119.914 -0.016 0.000 2.357 116 V HA 0.554 4.674 4.120 -0.000 0.000 0.284 116 V C -1.994 174.083 176.094 -0.029 0.000 1.018 116 V CA -1.766 60.523 62.300 -0.018 0.000 0.841 116 V CB 1.450 33.263 31.823 -0.017 0.000 0.991 116 V HN 0.707 nan 8.190 nan 0.000 0.437 117 P HA 0.191 nan 4.420 nan 0.000 0.274 117 P C -0.170 177.106 177.300 -0.041 0.000 1.256 117 P CA -0.172 62.909 63.100 -0.033 0.000 0.795 117 P CB 0.938 32.620 31.700 -0.030 0.000 1.038 118 V N 2.141 122.033 119.914 -0.036 0.000 2.599 118 V HA -0.023 4.097 4.120 -0.000 0.000 0.300 118 V C 1.248 177.292 176.094 -0.085 0.000 1.034 118 V CA 0.141 62.415 62.300 -0.043 0.000 1.115 118 V CB -0.634 31.184 31.823 -0.008 0.000 0.934 118 V HN 0.612 nan 8.190 nan 0.000 0.485 119 N N 3.602 122.244 118.700 -0.096 0.000 2.458 119 N HA 0.093 4.833 4.740 -0.000 0.000 0.270 119 N C 0.583 175.927 175.510 -0.277 0.000 1.102 119 N CA 0.339 53.306 53.050 -0.138 0.000 0.967 119 N CB 1.554 39.989 38.487 -0.086 0.000 1.078 119 N HN 0.865 nan 8.380 nan 0.000 0.471 120 T N 1.183 115.447 114.554 -0.483 0.000 3.252 120 T HA 0.169 4.519 4.350 -0.000 0.000 0.286 120 T C 0.468 174.641 174.700 -0.878 0.000 1.013 120 T CA -0.542 60.844 62.100 -1.191 0.000 0.914 120 T CB -0.258 68.059 68.868 -0.918 0.000 1.131 120 T HN 0.270 nan 8.240 nan 0.000 0.529 121 L N 2.395 123.408 121.223 -0.351 0.000 2.397 121 L HA 0.541 4.881 4.340 -0.000 0.000 0.271 121 L C -0.325 176.590 176.870 0.075 0.000 1.148 121 L CA -0.351 54.417 54.840 -0.120 0.000 0.825 121 L CB 1.022 43.048 42.059 -0.055 0.000 1.117 121 L HN 0.113 nan 8.230 nan 0.000 0.456 122 V N 6.028 126.008 119.914 0.110 0.000 2.383 122 V HA 0.305 4.425 4.120 -0.000 0.000 0.275 122 V C -0.247 175.913 176.094 0.110 0.000 1.036 122 V CA -0.573 61.845 62.300 0.197 0.000 0.889 122 V CB 1.412 33.335 31.823 0.166 0.000 0.985 122 V HN 0.526 nan 8.190 nan 0.000 0.459 123 V N 5.341 125.320 119.914 0.108 0.000 2.313 123 V HA 0.342 4.462 4.120 -0.000 0.000 0.278 123 V C 0.189 176.311 176.094 0.047 0.000 1.017 123 V CA -0.446 61.893 62.300 0.065 0.000 0.823 123 V CB 1.311 33.172 31.823 0.064 0.000 1.010 123 V HN 1.059 nan 8.190 nan 0.000 0.443 124 D N 2.047 122.468 120.400 0.035 0.000 2.538 124 D HA 0.011 4.651 4.640 -0.000 0.000 0.231 124 D C 1.098 177.406 176.300 0.013 0.000 1.229 124 D CA 0.208 54.219 54.000 0.019 0.000 0.828 124 D CB 0.426 41.237 40.800 0.019 0.000 1.035 124 D HN 0.547 nan 8.370 nan 0.000 0.495 125 T N -1.885 112.680 114.554 0.018 0.000 3.228 125 T HA 0.332 4.682 4.350 -0.000 0.000 0.278 125 T C 0.672 175.383 174.700 0.017 0.000 1.014 125 T CA -0.549 61.560 62.100 0.015 0.000 0.904 125 T CB -0.251 68.627 68.868 0.015 0.000 1.110 125 T HN 0.018 nan 8.240 nan 0.000 0.541 126 L N 2.006 123.240 121.223 0.019 0.000 2.467 126 L HA 0.311 4.651 4.340 -0.000 0.000 0.270 126 L C 1.144 178.023 176.870 0.016 0.000 1.205 126 L CA -0.526 54.328 54.840 0.023 0.000 0.828 126 L CB 0.482 42.557 42.059 0.027 0.000 1.101 126 L HN 0.256 nan 8.230 nan 0.000 0.479 127 S N 1.986 117.698 115.700 0.020 0.000 2.558 127 S HA 0.077 4.547 4.470 -0.000 0.000 0.288 127 S C -1.419 173.187 174.600 0.010 0.000 1.318 127 S CA -0.998 57.212 58.200 0.016 0.000 1.056 127 S CB 0.761 63.974 63.200 0.022 0.000 0.853 127 S HN 0.400 nan 8.310 nan 0.000 0.505 128 P HA -0.088 nan 4.420 nan 0.000 0.220 128 P C 1.363 178.662 177.300 -0.001 0.000 1.144 128 P CA 1.377 64.473 63.100 -0.006 0.000 0.800 128 P CB -0.183 31.513 31.700 -0.007 0.000 0.772 129 T N -5.637 108.925 114.554 0.014 0.000 3.055 129 T HA 0.075 4.425 4.350 -0.000 0.000 0.265 129 T C 1.021 175.752 174.700 0.051 0.000 1.111 129 T CA 0.139 62.255 62.100 0.028 0.000 1.118 129 T CB -0.585 68.301 68.868 0.031 0.000 0.909 129 T HN -0.096 nan 8.240 nan 0.000 0.501 130 S N 1.408 117.141 115.700 0.055 0.000 2.565 130 S HA 0.300 4.770 4.470 -0.000 0.000 0.276 130 S C -0.597 174.078 174.600 0.124 0.000 1.326 130 S CA -0.997 57.263 58.200 0.100 0.000 1.045 130 S CB 0.174 63.427 63.200 0.090 0.000 0.918 130 S HN 0.600 nan 8.310 nan 0.000 0.505 131 W N 3.295 124.601 121.300 0.011 0.000 2.251 131 W HA 0.192 4.852 4.660 -0.000 0.000 0.327 131 W C -0.028 176.503 176.519 0.021 0.000 1.361 131 W CA 0.215 57.565 57.345 0.009 0.000 1.234 131 W CB 0.384 29.849 29.460 0.008 0.000 1.212 131 W HN 0.397 nan 8.180 nan 0.000 0.557 132 Q N 4.389 123.802 119.800 -0.645 0.000 2.359 132 Q HA 0.509 4.849 4.340 -0.000 0.000 0.274 132 Q C -0.453 174.777 176.000 -1.284 0.000 1.074 132 Q CA -0.762 54.631 55.803 -0.684 0.000 0.810 132 Q CB 1.976 30.533 28.738 -0.302 0.000 1.342 132 Q HN 0.620 nan 8.270 nan 0.000 0.427 133 A N 1.059 123.354 122.820 -0.874 0.000 2.332 133 A HA 0.344 4.664 4.320 -0.000 0.000 0.258 133 A C 0.692 178.091 177.584 -0.308 0.000 1.087 133 A CA -0.054 51.687 52.037 -0.494 0.000 0.802 133 A CB 0.390 19.488 19.000 0.164 0.000 1.042 133 A HN 0.717 nan 8.150 nan 0.000 0.489 134 S N -0.559 115.002 115.700 -0.232 0.000 2.575 134 S HA 0.143 4.613 4.470 -0.000 0.000 0.215 134 S C 0.704 175.195 174.600 -0.182 0.000 0.966 134 S CA 0.698 58.779 58.200 -0.198 0.000 0.911 134 S CB -0.330 62.779 63.200 -0.152 0.000 0.780 134 S HN 1.114 nan 8.310 nan 0.000 0.514 135 T N -1.510 112.967 114.554 -0.128 0.000 2.883 135 T HA 0.629 4.979 4.350 -0.000 0.000 0.296 135 T C -0.844 173.786 174.700 -0.117 0.000 1.117 135 T CA -0.779 61.251 62.100 -0.116 0.000 1.006 135 T CB 0.674 69.574 68.868 0.054 0.000 1.191 135 T HN -0.084 nan 8.240 nan 0.000 0.508 136 F N 3.203 123.222 119.950 0.115 0.000 2.652 136 F HA 0.369 4.896 4.527 -0.000 0.000 0.352 136 F C 0.448 176.282 175.800 0.058 0.000 1.259 136 F CA -1.659 56.368 58.000 0.044 0.000 1.249 136 F CB -1.004 37.997 39.000 0.001 0.000 1.628 136 F HN 0.550 nan 8.300 nan 0.000 0.654 137 F N -0.608 119.435 119.950 0.155 0.000 2.375 137 F HA 0.599 5.126 4.527 -0.000 0.000 0.313 137 F C -0.091 175.778 175.800 0.116 0.000 1.176 137 F CA -1.686 56.385 58.000 0.119 0.000 1.142 137 F CB -0.106 38.955 39.000 0.101 0.000 1.275 137 F HN -0.162 nan 8.300 nan 0.000 0.544 138 V N 2.915 122.958 119.914 0.215 0.000 2.421 138 V HA 0.264 4.384 4.120 -0.000 0.000 0.271 138 V C 0.167 176.279 176.094 0.030 0.000 1.031 138 V CA 0.009 62.358 62.300 0.081 0.000 1.032 138 V CB -0.681 31.213 31.823 0.118 0.000 1.009 138 V HN 0.731 nan 8.190 nan 0.000 0.477 139 R N 3.822 124.240 120.500 -0.135 0.000 2.744 139 R HA 0.450 4.790 4.340 -0.000 0.000 0.279 139 R C 0.107 176.361 176.300 -0.077 0.000 0.977 139 R CA -0.893 55.087 56.100 -0.199 0.000 0.906 139 R CB 1.375 31.415 30.300 -0.434 0.000 1.197 139 R HN 0.711 nan 8.270 nan 0.000 0.463 140 N N 0.852 119.534 118.700 -0.031 0.000 2.735 140 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 140 N C 0.454 175.954 175.510 -0.016 0.000 1.083 140 N CA 1.558 54.595 53.050 -0.021 0.000 0.703 140 N CB -1.103 37.364 38.487 -0.033 0.000 1.005 140 N HN 1.082 nan 8.380 nan 0.000 0.550 141 G N -1.757 107.040 108.800 -0.006 0.000 2.162 141 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.260 141 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.260 141 G C 0.270 175.165 174.900 -0.008 0.000 0.976 141 G CA 0.868 45.966 45.100 -0.004 0.000 0.655 141 G HN 1.308 nan 8.290 nan 0.000 0.533 142 S N -0.519 115.171 115.700 -0.017 0.000 2.579 142 S HA 0.467 4.937 4.470 -0.000 0.000 0.275 142 S C 0.171 174.762 174.600 -0.015 0.000 1.345 142 S CA 0.006 58.193 58.200 -0.022 0.000 1.031 142 S CB 1.749 64.928 63.200 -0.035 0.000 0.892 142 S HN 0.591 nan 8.310 nan 0.000 0.529 143 N N 2.366 121.050 118.700 -0.027 0.000 2.500 143 N HA 0.338 5.078 4.740 -0.000 0.000 0.236 143 N C -1.597 173.897 175.510 -0.026 0.000 1.022 143 N CA -2.531 50.496 53.050 -0.040 0.000 0.935 143 N CB 1.055 39.492 38.487 -0.084 0.000 1.147 143 N HN 0.385 nan 8.380 nan 0.000 0.512 144 P HA -0.054 nan 4.420 nan 0.000 0.230 144 P C 0.295 177.617 177.300 0.035 0.000 1.158 144 P CA 0.838 63.954 63.100 0.026 0.000 0.769 144 P CB 0.560 32.291 31.700 0.051 0.000 0.807 145 E N -0.171 120.036 120.200 0.012 0.000 2.347 145 E HA -0.095 4.254 4.350 -0.000 0.000 0.196 145 E C 0.910 177.517 176.600 0.013 0.000 1.008 145 E CA 0.564 56.991 56.400 0.045 0.000 0.852 145 E CB -0.163 29.497 29.700 -0.066 0.000 0.783 145 E HN 0.303 nan 8.360 nan 0.000 0.505 146 Q N 2.317 122.089 119.800 -0.047 0.000 2.307 146 Q HA 0.025 4.365 4.340 -0.000 0.000 0.259 146 Q C -0.813 175.195 176.000 0.012 0.000 0.998 146 Q CA -0.173 55.601 55.803 -0.048 0.000 0.923 146 Q CB 0.660 29.355 28.738 -0.071 0.000 1.196 146 Q HN -0.190 nan 8.270 nan 0.000 0.416 147 D N 6.105 126.534 120.400 0.048 0.000 2.382 147 D HA 0.027 4.667 4.640 -0.000 0.000 0.259 147 D C -1.647 174.669 176.300 0.027 0.000 1.224 147 D CA -1.752 52.276 54.000 0.047 0.000 0.894 147 D CB 1.260 42.101 40.800 0.069 0.000 1.127 147 D HN 0.434 nan 8.370 nan 0.000 0.487 148 P HA -0.100 nan 4.420 nan 0.000 0.222 148 P C 1.239 178.541 177.300 0.003 0.000 1.147 148 P CA 0.765 63.862 63.100 -0.004 0.000 0.790 148 P CB 0.296 31.982 31.700 -0.023 0.000 0.780 149 L N -1.323 119.906 121.223 0.010 0.000 2.607 149 L HA 0.184 4.524 4.340 -0.000 0.000 0.228 149 L C 1.379 178.262 176.870 0.022 0.000 1.123 149 L CA 0.229 55.076 54.840 0.011 0.000 0.890 149 L CB -0.170 41.892 42.059 0.005 0.000 1.103 149 L HN -0.159 nan 8.230 nan 0.000 0.468 150 R N -0.108 120.414 120.500 0.037 0.000 2.688 150 R HA 0.219 4.559 4.340 -0.000 0.000 0.396 150 R C -0.498 175.856 176.300 0.090 0.000 1.081 150 R CA -0.266 55.869 56.100 0.058 0.000 1.093 150 R CB 0.368 30.706 30.300 0.064 0.000 1.338 150 R HN 0.035 nan 8.270 nan 0.000 0.613 151 N N 0.572 119.302 118.700 0.050 0.000 2.432 151 N HA 0.402 5.142 4.740 -0.000 0.000 0.292 151 N C -0.788 174.639 175.510 -0.140 0.000 1.193 151 N CA -0.676 52.384 53.050 0.018 0.000 0.878 151 N CB 1.327 39.824 38.487 0.017 0.000 1.252 151 N HN 0.089 nan 8.380 nan 0.000 0.520 152 L N 2.103 123.088 121.223 -0.396 0.000 2.504 152 L HA 0.225 4.565 4.340 -0.000 0.000 0.249 152 L C 1.417 178.104 176.870 -0.306 0.000 1.120 152 L CA -0.291 54.199 54.840 -0.583 0.000 0.997 152 L CB 0.509 41.817 42.059 -1.252 0.000 1.349 152 L HN 0.647 nan 8.230 nan 0.000 0.439 153 S N -0.193 115.423 115.700 -0.141 0.000 2.419 153 S HA -0.123 4.347 4.470 -0.000 0.000 0.233 153 S C 1.822 176.386 174.600 -0.060 0.000 1.016 153 S CA 1.050 59.212 58.200 -0.062 0.000 0.974 153 S CB -0.198 62.979 63.200 -0.038 0.000 0.786 153 S HN 0.636 nan 8.310 nan 0.000 0.492 154 G N 0.590 109.339 108.800 -0.085 0.000 2.650 154 G HA2 0.056 4.016 3.960 -0.000 0.000 0.214 154 G HA3 0.056 4.016 3.960 -0.000 0.000 0.214 154 G C 0.623 175.488 174.900 -0.059 0.000 1.136 154 G CA -0.200 44.863 45.100 -0.062 0.000 0.789 154 G HN 0.382 nan 8.290 nan 0.000 0.536 155 Q N 0.554 120.294 119.800 -0.099 0.000 2.330 155 Q HA 0.498 4.838 4.340 -0.000 0.000 0.279 155 Q C -0.057 175.964 176.000 0.036 0.000 1.024 155 Q CA 0.290 56.066 55.803 -0.045 0.000 0.900 155 Q CB 1.366 30.051 28.738 -0.089 0.000 1.221 155 Q HN 0.291 nan 8.270 nan 0.000 0.396 156 A N 1.987 124.836 122.820 0.049 0.000 2.593 156 A HA 0.764 5.084 4.320 -0.000 0.000 0.290 156 A C -0.990 176.639 177.584 0.077 0.000 1.126 156 A CA -0.532 51.541 52.037 0.059 0.000 0.695 156 A CB 1.343 20.364 19.000 0.035 0.000 1.290 156 A HN 0.474 nan 8.150 nan 0.000 0.414 157 V N -2.343 117.628 119.914 0.095 0.000 3.001 157 V HA 0.943 5.063 4.120 -0.000 0.000 0.314 157 V C -0.480 175.701 176.094 0.144 0.000 1.099 157 V CA -0.549 61.828 62.300 0.127 0.000 0.989 157 V CB 1.639 33.564 31.823 0.170 0.000 1.040 157 V HN 0.877 nan 8.190 nan 0.000 0.434 158 T N 2.585 117.231 114.554 0.154 0.000 2.809 158 T HA 0.552 4.902 4.350 -0.000 0.000 0.284 158 T C -0.339 174.427 174.700 0.110 0.000 0.992 158 T CA -0.439 61.746 62.100 0.142 0.000 0.957 158 T CB 0.984 69.964 68.868 0.187 0.000 0.942 158 T HN 0.753 nan 8.240 nan 0.000 0.439 159 R N 2.671 123.225 120.500 0.090 0.000 2.423 159 R HA 0.604 4.944 4.340 -0.000 0.000 0.293 159 R C -0.612 175.717 176.300 0.049 0.000 1.196 159 R CA -0.601 55.526 56.100 0.044 0.000 1.262 159 R CB 0.737 31.042 30.300 0.009 0.000 1.116 159 R HN 0.528 nan 8.270 nan 0.000 0.566 160 V N -1.608 118.333 119.914 0.044 0.000 3.147 160 V HA 0.411 4.531 4.120 -0.000 0.000 0.299 160 V C -0.186 175.930 176.094 0.037 0.000 1.302 160 V CA -1.134 61.194 62.300 0.047 0.000 1.015 160 V CB 1.942 33.802 31.823 0.062 0.000 1.086 160 V HN 0.143 nan 8.190 nan 0.000 0.437 161 V N 3.571 123.508 119.914 0.039 0.000 2.599 161 V HA 0.525 4.645 4.120 -0.000 0.000 0.300 161 V C 1.734 177.848 176.094 0.033 0.000 1.034 161 V CA 1.954 64.276 62.300 0.037 0.000 1.115 161 V CB 0.176 32.023 31.823 0.041 0.000 0.934 161 V HN 2.134 nan 8.190 nan 0.000 0.485 162 G N 3.291 112.104 108.800 0.023 0.000 2.213 162 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.236 162 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.236 162 G C 1.010 175.885 174.900 -0.043 0.000 0.991 162 G CA 0.278 45.378 45.100 -0.000 0.000 0.629 162 G HN 2.138 nan 8.290 nan 0.000 0.517 163 G N 0.082 108.869 108.800 -0.023 0.000 2.574 163 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.282 163 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.282 163 G C 1.147 175.988 174.900 -0.100 0.000 1.257 163 G CA 1.175 46.254 45.100 -0.035 0.000 0.956 163 G HN 1.092 nan 8.290 nan 0.000 0.560 164 M N 1.456 120.960 119.600 -0.160 0.000 2.460 164 M HA -0.014 4.466 4.480 -0.000 0.000 0.263 164 M C 2.715 178.665 176.300 -0.583 0.000 1.071 164 M CA 1.741 56.806 55.300 -0.391 0.000 1.096 164 M CB -0.219 32.252 32.600 -0.216 0.000 1.408 164 M HN 0.746 nan 8.290 nan 0.000 0.463 165 S N -0.426 114.985 115.700 -0.480 0.000 2.555 165 S HA -0.071 4.399 4.470 -0.000 0.000 0.230 165 S C 1.679 176.135 174.600 -0.240 0.000 0.978 165 S CA 1.194 59.002 58.200 -0.653 0.000 0.934 165 S CB -0.896 61.946 63.200 -0.597 0.000 0.766 165 S HN 0.580 nan 8.310 nan 0.000 0.533 166 T N -0.775 113.642 114.554 -0.228 0.000 3.085 166 T HA 0.012 4.362 4.350 -0.000 0.000 0.263 166 T C 1.430 175.971 174.700 -0.264 0.000 1.127 166 T CA 0.924 62.926 62.100 -0.163 0.000 1.103 166 T CB -0.672 68.194 68.868 -0.002 0.000 0.921 166 T HN 0.910 nan 8.240 nan 0.000 0.510 167 H N -1.952 117.048 119.070 -0.118 0.000 3.680 167 H HA 0.202 4.758 4.556 -0.000 0.000 0.260 167 H C 0.574 176.114 175.328 0.353 0.000 1.183 167 H CA -1.017 55.120 56.048 0.148 0.000 1.159 167 H CB -0.429 29.409 29.762 0.126 0.000 1.567 167 H HN 0.484 nan 8.280 nan 0.000 0.648 168 W N 2.873 124.127 121.300 -0.077 0.000 2.089 168 W HA 0.259 4.919 4.660 -0.000 0.000 0.355 168 W C -0.032 176.591 176.519 0.173 0.000 1.305 168 W CA -0.037 57.367 57.345 0.097 0.000 1.281 168 W CB -0.152 29.286 29.460 -0.037 0.000 1.183 168 W HN -0.172 nan 8.180 nan 0.000 0.604 169 T N 1.094 115.607 114.554 -0.068 0.000 3.088 169 T HA -0.016 4.334 4.350 -0.000 0.000 0.259 169 T C 1.064 175.351 174.700 -0.688 0.000 1.122 169 T CA 1.092 62.986 62.100 -0.343 0.000 1.095 169 T CB -0.572 68.252 68.868 -0.073 0.000 0.930 169 T HN 0.669 nan 8.240 nan 0.000 0.508 170 C N 1.039 119.556 119.300 -1.306 0.000 4.465 170 C HA -0.118 4.342 4.460 -0.000 0.000 0.274 170 C C 1.158 175.675 174.990 -0.788 0.000 1.337 170 C CA -0.705 57.303 59.018 -1.682 0.000 1.822 170 C CB -2.748 24.493 27.740 -0.830 0.000 1.357 170 C HN 0.774 nan 8.230 nan 0.000 0.753 171 A N 1.096 123.646 122.820 -0.450 0.000 2.404 171 A HA 0.556 4.876 4.320 -0.000 0.000 0.273 171 A C 0.780 178.279 177.584 -0.143 0.000 1.144 171 A CA 1.112 53.029 52.037 -0.200 0.000 0.806 171 A CB 0.190 19.131 19.000 -0.099 0.000 1.080 171 A HN 1.407 nan 8.150 nan 0.000 0.509 172 T N 1.526 116.014 114.554 -0.110 0.000 3.504 172 T HA 0.523 4.873 4.350 -0.000 0.000 0.286 172 T C -2.759 171.898 174.700 -0.072 0.000 1.530 172 T CA -1.480 60.593 62.100 -0.046 0.000 1.652 172 T CB 0.618 69.484 68.868 -0.004 0.000 0.895 172 T HN 0.438 nan 8.240 nan 0.000 0.674 173 P HA 0.412 nan 4.420 nan 0.000 0.277 173 P C -0.207 176.957 177.300 -0.228 0.000 1.240 173 P CA -0.648 62.355 63.100 -0.162 0.000 0.798 173 P CB 1.123 32.699 31.700 -0.207 0.000 0.979 174 R N 0.810 121.088 120.500 -0.370 0.000 2.531 174 R HA 0.396 4.736 4.340 -0.000 0.000 0.273 174 R C 0.082 176.246 176.300 -0.226 0.000 1.070 174 R CA -0.457 55.218 56.100 -0.708 0.000 1.112 174 R CB 0.151 29.855 30.300 -0.994 0.000 1.049 174 R HN 0.365 nan 8.270 nan 0.000 0.508 175 F N 1.964 121.682 119.950 -0.387 0.000 2.412 175 F HA 0.042 4.569 4.527 -0.000 0.000 0.348 175 F C 0.971 176.590 175.800 -0.303 0.000 1.102 175 F CA -1.451 56.357 58.000 -0.320 0.000 1.196 175 F CB 0.267 39.075 39.000 -0.320 0.000 1.144 175 F HN 0.545 nan 8.300 nan 0.000 0.541 176 D N 2.512 122.841 120.400 -0.118 0.000 2.377 176 D HA 0.129 4.769 4.640 -0.000 0.000 0.245 176 D C 1.048 177.267 176.300 -0.135 0.000 1.196 176 D CA -0.439 53.493 54.000 -0.113 0.000 0.962 176 D CB 0.568 41.319 40.800 -0.082 0.000 1.127 176 D HN 0.479 nan 8.370 nan 0.000 0.471 177 R N -0.084 120.362 120.500 -0.090 0.000 2.113 177 R HA -0.217 4.123 4.340 -0.000 0.000 0.244 177 R C 2.042 178.292 176.300 -0.083 0.000 1.142 177 R CA 1.875 57.929 56.100 -0.076 0.000 0.953 177 R CB -0.325 29.965 30.300 -0.018 0.000 0.860 177 R HN 0.660 nan 8.270 nan 0.000 0.438 178 E N 0.565 120.717 120.200 -0.081 0.000 2.171 178 E HA -0.242 4.107 4.350 -0.000 0.000 0.197 178 E C 1.644 178.141 176.600 -0.172 0.000 0.997 178 E CA 1.359 57.717 56.400 -0.070 0.000 0.810 178 E CB 0.149 29.862 29.700 0.020 0.000 0.738 178 E HN 0.458 nan 8.360 nan 0.000 0.467 179 Q N -0.657 118.941 119.800 -0.336 0.000 2.356 179 Q HA 0.105 4.445 4.340 -0.000 0.000 0.205 179 Q C 0.443 176.324 176.000 -0.197 0.000 0.901 179 Q CA -0.118 55.415 55.803 -0.451 0.000 0.938 179 Q CB 0.610 28.770 28.738 -0.963 0.000 1.081 179 Q HN -0.058 nan 8.270 nan 0.000 0.517 180 R N 2.151 122.583 120.500 -0.113 0.000 2.312 180 R HA 0.263 4.603 4.340 -0.000 0.000 0.311 180 R C -2.517 173.763 176.300 -0.033 0.000 1.004 180 R CA -2.094 53.941 56.100 -0.109 0.000 0.902 180 R CB 0.810 30.874 30.300 -0.394 0.000 1.073 180 R HN -0.125 nan 8.270 nan 0.000 0.457 181 P HA 0.021 nan 4.420 nan 0.000 0.271 181 P C -0.663 176.812 177.300 0.292 0.000 1.218 181 P CA -0.015 63.181 63.100 0.161 0.000 0.780 181 P CB 0.542 32.359 31.700 0.194 0.000 0.901 182 L N 2.929 124.269 121.223 0.195 0.000 2.367 182 L HA 0.148 4.488 4.340 -0.000 0.000 0.275 182 L C 1.647 178.645 176.870 0.214 0.000 1.129 182 L CA -0.091 54.921 54.840 0.287 0.000 0.839 182 L CB 0.107 42.367 42.059 0.335 0.000 1.133 182 L HN 0.369 nan 8.230 nan 0.000 0.453 183 L N 3.567 124.963 121.223 0.288 0.000 2.425 183 L HA 0.199 4.539 4.340 -0.000 0.000 0.215 183 L C -0.040 176.995 176.870 0.276 0.000 1.065 183 L CA 0.248 55.151 54.840 0.105 0.000 0.842 183 L CB 0.598 42.508 42.059 -0.248 0.000 1.033 183 L HN 0.329 nan 8.230 nan 0.000 0.474 184 V N 1.259 121.334 119.914 0.269 0.000 2.487 184 V HA 0.240 4.360 4.120 -0.000 0.000 0.298 184 V C -0.347 175.855 176.094 0.180 0.000 1.028 184 V CA -0.945 61.468 62.300 0.187 0.000 0.860 184 V CB 1.655 33.533 31.823 0.092 0.000 0.991 184 V HN 0.198 nan 8.190 nan 0.000 0.427 185 K N 2.317 122.717 120.400 -0.000 0.000 2.118 185 K HA 0.496 4.816 4.320 -0.000 0.000 0.267 185 K C -0.427 176.150 176.600 -0.039 0.000 0.991 185 K CA -0.561 55.691 56.287 -0.058 0.000 0.916 185 K CB 0.976 33.276 32.500 -0.333 0.000 1.041 185 K HN 0.598 nan 8.250 nan 0.000 0.455 186 D N 0.968 121.369 120.400 0.002 0.000 2.772 186 D HA -0.165 4.475 4.640 -0.000 0.000 0.233 186 D C -0.859 175.451 176.300 0.016 0.000 1.143 186 D CA 1.416 55.419 54.000 0.006 0.000 0.700 186 D CB -0.745 40.044 40.800 -0.019 0.000 1.076 186 D HN 0.797 nan 8.370 nan 0.000 0.430 187 D N -1.377 119.046 120.400 0.038 0.000 2.668 187 D HA 0.356 4.996 4.640 -0.000 0.000 0.234 187 D C 0.882 177.222 176.300 0.066 0.000 1.349 187 D CA 0.204 54.229 54.000 0.042 0.000 0.889 187 D CB 0.266 41.084 40.800 0.031 0.000 1.520 187 D HN 0.007 nan 8.370 nan 0.000 0.521 188 A N 1.894 124.755 122.820 0.068 0.000 1.972 188 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 188 A C 1.624 179.260 177.584 0.086 0.000 1.169 188 A CA 1.454 53.542 52.037 0.084 0.000 0.635 188 A CB 0.012 19.053 19.000 0.069 0.000 0.810 188 A HN 0.400 nan 8.150 nan 0.000 0.446 189 D N -0.036 120.404 120.400 0.067 0.000 2.123 189 D HA 0.033 4.673 4.640 -0.000 0.000 0.200 189 D C 2.227 178.568 176.300 0.069 0.000 0.976 189 D CA 1.462 55.500 54.000 0.063 0.000 0.831 189 D CB -0.417 40.410 40.800 0.046 0.000 0.974 189 D HN 0.407 nan 8.370 nan 0.000 0.469 190 A N 0.618 123.476 122.820 0.062 0.000 1.930 190 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 190 A C 1.916 179.546 177.584 0.076 0.000 1.175 190 A CA 1.859 53.929 52.037 0.055 0.000 0.627 190 A CB -0.563 18.461 19.000 0.040 0.000 0.815 190 A HN 0.163 nan 8.150 nan 0.000 0.443 191 D N -0.051 120.419 120.400 0.117 0.000 2.084 191 D HA -0.162 4.478 4.640 -0.000 0.000 0.194 191 D C 1.300 177.765 176.300 0.274 0.000 0.990 191 D CA 1.617 55.734 54.000 0.194 0.000 0.826 191 D CB -0.172 40.773 40.800 0.241 0.000 0.971 191 D HN 0.331 nan 8.370 nan 0.000 0.453 192 D N -0.232 120.301 120.400 0.221 0.000 2.116 192 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 192 D C 1.941 178.356 176.300 0.191 0.000 0.998 192 D CA 1.703 55.832 54.000 0.215 0.000 0.836 192 D CB -0.604 40.276 40.800 0.135 0.000 0.951 192 D HN 0.337 nan 8.370 nan 0.000 0.449 193 A N 0.408 123.300 122.820 0.120 0.000 1.930 193 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 193 A C 2.133 179.750 177.584 0.055 0.000 1.175 193 A CA 1.890 53.975 52.037 0.080 0.000 0.627 193 A CB -0.538 18.490 19.000 0.048 0.000 0.815 193 A HN 0.251 nan 8.150 nan 0.000 0.443 194 E N -0.980 119.232 120.200 0.020 0.000 2.047 194 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 194 E C 1.694 178.207 176.600 -0.146 0.000 0.987 194 E CA 1.479 57.820 56.400 -0.098 0.000 0.799 194 E CB -0.446 29.149 29.700 -0.176 0.000 0.752 194 E HN 0.714 nan 8.360 nan 0.000 0.449 195 W N 0.878 122.151 121.300 -0.046 0.000 2.358 195 W HA -0.133 4.527 4.660 -0.000 0.000 0.303 195 W C 2.170 178.698 176.519 0.015 0.000 1.208 195 W CA 1.286 58.574 57.345 -0.095 0.000 1.274 195 W CB -0.404 29.047 29.460 -0.015 0.000 1.138 195 W HN 0.272 nan 8.180 nan 0.000 0.515 196 D N -0.074 120.511 120.400 0.308 0.000 2.123 196 D HA -0.220 4.420 4.640 -0.000 0.000 0.196 196 D C 2.135 178.518 176.300 0.137 0.000 0.992 196 D CA 1.542 55.683 54.000 0.234 0.000 0.833 196 D CB -0.190 40.703 40.800 0.155 0.000 0.954 196 D HN -0.033 nan 8.370 nan 0.000 0.455 197 R N -0.480 120.052 120.500 0.054 0.000 2.073 197 R HA -0.065 4.275 4.340 -0.000 0.000 0.234 197 R C 2.477 178.746 176.300 -0.052 0.000 1.134 197 R CA 1.112 57.206 56.100 -0.010 0.000 0.952 197 R CB -0.266 30.005 30.300 -0.049 0.000 0.850 197 R HN 0.258 nan 8.270 nan 0.000 0.433 198 L N -0.695 120.465 121.223 -0.105 0.000 2.027 198 L HA -0.187 4.153 4.340 -0.000 0.000 0.206 198 L C 2.321 179.137 176.870 -0.090 0.000 1.074 198 L CA 1.199 55.925 54.840 -0.190 0.000 0.745 198 L CB -0.592 41.250 42.059 -0.362 0.000 0.898 198 L HN 0.210 nan 8.230 nan 0.000 0.433 199 Y N 0.386 120.697 120.300 0.019 0.000 2.181 199 Y HA -0.243 4.307 4.550 -0.000 0.000 0.288 199 Y C 2.880 178.768 175.900 -0.021 0.000 1.146 199 Y CA 1.575 59.693 58.100 0.031 0.000 1.164 199 Y CB -1.147 37.363 38.460 0.083 0.000 0.982 199 Y HN 0.144 nan 8.280 nan 0.000 0.515 200 T N -0.247 114.389 114.554 0.137 0.000 2.720 200 T HA -0.229 4.121 4.350 -0.000 0.000 0.268 200 T C 2.002 176.679 174.700 -0.039 0.000 1.037 200 T CA 1.738 63.866 62.100 0.046 0.000 1.144 200 T CB -0.166 68.720 68.868 0.030 0.000 0.864 200 T HN 0.241 nan 8.240 nan 0.000 0.444 201 K N 0.700 121.023 120.400 -0.129 0.000 2.062 201 K HA 0.038 4.358 4.320 -0.000 0.000 0.205 201 K C 2.598 178.904 176.600 -0.490 0.000 1.051 201 K CA 1.010 57.096 56.287 -0.334 0.000 0.941 201 K CB -0.286 31.958 32.500 -0.427 0.000 0.719 201 K HN 0.269 nan 8.250 nan 0.000 0.440 202 A N 1.555 124.194 122.820 -0.301 0.000 1.908 202 A HA -0.232 4.088 4.320 -0.000 0.000 0.218 202 A C 1.829 179.440 177.584 0.044 0.000 1.181 202 A CA 1.887 53.824 52.037 -0.167 0.000 0.627 202 A CB -0.541 18.470 19.000 0.019 0.000 0.818 202 A HN 0.461 nan 8.150 nan 0.000 0.445 203 E N -0.042 120.217 120.200 0.098 0.000 2.110 203 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 203 E C 2.349 179.039 176.600 0.149 0.000 0.988 203 E CA 1.442 57.939 56.400 0.161 0.000 0.804 203 E CB -0.173 29.590 29.700 0.105 0.000 0.745 203 E HN 0.815 nan 8.360 nan 0.000 0.458 204 S N -0.081 115.660 115.700 0.068 0.000 2.406 204 S HA -0.133 4.337 4.470 -0.000 0.000 0.228 204 S C 1.883 176.627 174.600 0.241 0.000 1.020 204 S CA 0.434 58.701 58.200 0.111 0.000 0.965 204 S CB -0.324 62.913 63.200 0.061 0.000 0.798 204 S HN 0.192 nan 8.310 nan 0.000 0.488 205 Y N 0.674 121.000 120.300 0.043 0.000 2.165 205 Y HA 0.087 4.637 4.550 -0.000 0.000 0.286 205 Y C 2.021 177.976 175.900 0.093 0.000 1.155 205 Y CA 0.097 58.196 58.100 -0.002 0.000 1.164 205 Y CB -1.048 37.330 38.460 -0.137 0.000 0.978 205 Y HN 0.325 nan 8.280 nan 0.000 0.513 206 F N 0.174 120.280 119.950 0.261 0.000 2.743 206 F HA 0.051 4.578 4.527 -0.000 0.000 0.297 206 F C 0.819 176.733 175.800 0.190 0.000 1.131 206 F CA 0.186 58.329 58.000 0.239 0.000 1.426 206 F CB -0.256 38.902 39.000 0.264 0.000 1.116 206 F HN -0.000 nan 8.300 nan 0.000 0.583 207 Q N 0.577 120.570 119.800 0.322 0.000 2.463 207 Q HA -0.189 4.151 4.340 -0.000 0.000 0.299 207 Q C 0.059 176.145 176.000 0.143 0.000 1.353 207 Q CA 0.753 56.669 55.803 0.187 0.000 0.828 207 Q CB -2.672 26.152 28.738 0.143 0.000 1.157 207 Q HN 0.214 nan 8.270 nan 0.000 0.436 208 T N -0.007 114.645 114.554 0.163 0.000 2.928 208 T HA 0.437 4.787 4.350 -0.000 0.000 0.305 208 T C 0.801 175.531 174.700 0.050 0.000 1.035 208 T CA 0.600 62.757 62.100 0.096 0.000 1.145 208 T CB 1.270 70.205 68.868 0.110 0.000 0.963 208 T HN 0.493 nan 8.240 nan 0.000 0.545 209 G N 0.663 109.476 108.800 0.021 0.000 2.708 209 G HA2 0.568 4.528 3.960 -0.000 0.000 0.289 209 G HA3 0.568 4.528 3.960 -0.000 0.000 0.289 209 G C 0.016 174.923 174.900 0.011 0.000 1.416 209 G CA -0.518 44.586 45.100 0.008 0.000 0.829 209 G HN 0.635 nan 8.290 nan 0.000 0.480 210 T N -2.507 112.053 114.554 0.010 0.000 3.393 210 T HA 0.266 4.616 4.350 -0.000 0.000 0.298 210 T C 0.059 174.769 174.700 0.017 0.000 1.004 210 T CA 0.498 62.613 62.100 0.026 0.000 0.956 210 T CB 0.397 69.285 68.868 0.035 0.000 1.182 210 T HN 0.489 nan 8.240 nan 0.000 0.497 211 D N 0.305 120.694 120.400 -0.018 0.000 2.500 211 D HA 0.069 4.709 4.640 -0.000 0.000 0.217 211 D C 1.331 177.552 176.300 -0.131 0.000 1.159 211 D CA -0.035 53.930 54.000 -0.058 0.000 0.828 211 D CB -0.026 40.737 40.800 -0.062 0.000 1.039 211 D HN 0.284 nan 8.370 nan 0.000 0.512 212 Q N -0.494 119.223 119.800 -0.139 0.000 2.435 212 Q HA 0.201 4.541 4.340 -0.000 0.000 0.207 212 Q C 0.221 175.804 176.000 -0.695 0.000 0.956 212 Q CA 0.765 56.346 55.803 -0.369 0.000 0.917 212 Q CB -0.176 28.320 28.738 -0.403 0.000 0.997 212 Q HN 0.275 nan 8.270 nan 0.000 0.497 213 F N -0.262 119.522 119.950 -0.277 0.000 2.735 213 F HA 0.230 4.757 4.527 -0.000 0.000 0.308 213 F C 1.217 176.799 175.800 -0.365 0.000 1.112 213 F CA -0.540 57.252 58.000 -0.345 0.000 1.235 213 F CB 0.446 39.173 39.000 -0.456 0.000 1.027 213 F HN -0.011 nan 8.300 nan 0.000 0.528 214 K N 0.303 120.587 120.400 -0.193 0.000 2.211 214 K HA -0.083 4.237 4.320 -0.000 0.000 0.203 214 K C 0.747 177.225 176.600 -0.204 0.000 1.050 214 K CA 1.603 57.821 56.287 -0.115 0.000 0.945 214 K CB -0.131 32.302 32.500 -0.111 0.000 0.732 214 K HN 0.307 nan 8.250 nan 0.000 0.451 215 E N 1.652 121.617 120.200 -0.393 0.000 2.496 215 E HA 0.055 4.405 4.350 -0.000 0.000 0.200 215 E C -0.771 175.636 176.600 -0.322 0.000 1.016 215 E CA -0.333 55.595 56.400 -0.787 0.000 0.962 215 E CB 0.973 30.116 29.700 -0.928 0.000 1.071 215 E HN 0.225 nan 8.360 nan 0.000 0.457 216 S N 0.568 116.242 115.700 -0.044 0.000 2.505 216 S HA 0.162 4.631 4.470 -0.000 0.000 0.276 216 S C 1.193 175.875 174.600 0.138 0.000 1.274 216 S CA -0.419 57.829 58.200 0.079 0.000 1.053 216 S CB 0.493 63.800 63.200 0.180 0.000 0.919 216 S HN 0.207 nan 8.310 nan 0.000 0.490 217 I N 4.981 125.517 120.570 -0.057 0.000 2.179 217 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 217 I C 2.756 178.703 176.117 -0.283 0.000 1.088 217 I CA 1.263 62.279 61.300 -0.473 0.000 1.357 217 I CB -0.216 37.271 38.000 -0.854 0.000 1.051 217 I HN 0.699 nan 8.210 nan 0.000 0.409 218 R N -0.582 119.839 120.500 -0.131 0.000 2.091 218 R HA -0.243 4.097 4.340 -0.000 0.000 0.238 218 R C 2.359 178.687 176.300 0.047 0.000 1.136 218 R CA 1.826 57.901 56.100 -0.042 0.000 0.959 218 R CB -0.705 29.583 30.300 -0.019 0.000 0.856 218 R HN 0.445 nan 8.270 nan 0.000 0.437 219 H N 1.147 120.234 119.070 0.027 0.000 2.290 219 H HA -0.069 4.487 4.556 -0.000 0.000 0.298 219 H C 1.784 177.181 175.328 0.116 0.000 1.087 219 H CA 1.994 58.081 56.048 0.065 0.000 1.291 219 H CB -0.087 29.741 29.762 0.110 0.000 1.369 219 H HN 0.135 nan 8.280 nan 0.000 0.492 220 N N 0.041 118.844 118.700 0.172 0.000 2.216 220 N HA -0.123 4.617 4.740 -0.000 0.000 0.183 220 N C 2.040 177.703 175.510 0.255 0.000 1.017 220 N CA 0.953 54.154 53.050 0.252 0.000 0.861 220 N CB -0.226 38.624 38.487 0.606 0.000 0.986 220 N HN 0.295 nan 8.380 nan 0.000 0.428 221 L N 1.415 122.798 121.223 0.268 0.000 2.013 221 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 221 L C 2.142 179.068 176.870 0.094 0.000 1.073 221 L CA 1.461 56.449 54.840 0.248 0.000 0.753 221 L CB -0.587 41.568 42.059 0.161 0.000 0.890 221 L HN -0.110 nan 8.230 nan 0.000 0.432 222 V N -0.941 118.978 119.914 0.009 0.000 2.323 222 V HA -0.225 3.895 4.120 -0.000 0.000 0.244 222 V C 2.396 178.415 176.094 -0.125 0.000 1.041 222 V CA 1.473 63.744 62.300 -0.048 0.000 1.025 222 V CB -0.648 31.125 31.823 -0.084 0.000 0.656 222 V HN 0.495 nan 8.190 nan 0.000 0.451 223 L N 1.156 122.270 121.223 -0.182 0.000 2.012 223 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 223 L C 2.188 178.986 176.870 -0.119 0.000 1.073 223 L CA 2.126 56.849 54.840 -0.195 0.000 0.748 223 L CB -1.020 40.894 42.059 -0.242 0.000 0.891 223 L HN 0.318 nan 8.230 nan 0.000 0.431 224 N N -0.221 118.461 118.700 -0.031 0.000 2.142 224 N HA -0.190 4.550 4.740 -0.000 0.000 0.186 224 N C 1.837 177.326 175.510 -0.034 0.000 1.023 224 N CA 1.281 54.330 53.050 -0.003 0.000 0.852 224 N CB -0.324 38.191 38.487 0.047 0.000 0.998 224 N HN 0.288 nan 8.380 nan 0.000 0.424 225 K N 1.375 121.754 120.400 -0.034 0.000 2.057 225 K HA 0.065 4.385 4.320 -0.000 0.000 0.207 225 K C 1.918 178.471 176.600 -0.079 0.000 1.049 225 K CA 0.905 57.172 56.287 -0.034 0.000 0.931 225 K CB -0.411 32.088 32.500 -0.001 0.000 0.714 225 K HN 0.125 nan 8.250 nan 0.000 0.440 226 L N -0.066 121.038 121.223 -0.199 0.000 2.109 226 L HA -0.125 4.215 4.340 -0.000 0.000 0.207 226 L C 2.229 178.895 176.870 -0.341 0.000 1.086 226 L CA 1.520 56.127 54.840 -0.389 0.000 0.760 226 L CB -0.747 40.681 42.059 -1.052 0.000 0.910 226 L HN 0.225 nan 8.230 nan 0.000 0.437 227 T N -0.636 113.753 114.554 -0.275 0.000 2.684 227 T HA -0.269 4.081 4.350 -0.000 0.000 0.267 227 T C 1.786 176.531 174.700 0.076 0.000 1.036 227 T CA 1.822 63.938 62.100 0.028 0.000 1.148 227 T CB -0.192 68.708 68.868 0.054 0.000 0.863 227 T HN 0.417 nan 8.240 nan 0.000 0.436 228 E N 0.841 121.051 120.200 0.016 0.000 2.051 228 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 228 E C 2.060 178.658 176.600 -0.003 0.000 0.991 228 E CA 1.162 57.566 56.400 0.008 0.000 0.799 228 E CB -0.062 29.627 29.700 -0.018 0.000 0.748 228 E HN 0.409 nan 8.360 nan 0.000 0.449 229 E N -0.410 119.775 120.200 -0.025 0.000 2.204 229 E HA -0.164 4.186 4.350 -0.000 0.000 0.195 229 E C 0.956 177.405 176.600 -0.251 0.000 0.990 229 E CA 0.917 57.234 56.400 -0.138 0.000 0.821 229 E CB -0.124 29.469 29.700 -0.179 0.000 0.750 229 E HN 0.484 nan 8.360 nan 0.000 0.477 230 Y N 0.400 120.735 120.300 0.058 0.000 2.720 230 Y HA 0.188 4.738 4.550 -0.000 0.000 0.277 230 Y C 0.620 176.585 175.900 0.108 0.000 1.144 230 Y CA -0.385 57.789 58.100 0.123 0.000 1.221 230 Y CB 0.401 39.034 38.460 0.288 0.000 1.163 230 Y HN -0.278 nan 8.280 nan 0.000 0.537 231 K N 0.668 121.157 120.400 0.148 0.000 2.447 231 K HA 0.145 4.465 4.320 -0.000 0.000 0.281 231 K C 1.160 177.818 176.600 0.097 0.000 1.031 231 K CA 1.097 57.453 56.287 0.115 0.000 1.019 231 K CB 0.150 32.686 32.500 0.060 0.000 0.918 231 K HN 0.641 nan 8.250 nan 0.000 0.476 232 G N 3.313 112.172 108.800 0.099 0.000 2.187 232 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.261 232 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.261 232 G C 0.471 175.427 174.900 0.092 0.000 1.000 232 G CA 1.010 46.157 45.100 0.080 0.000 0.718 232 G HN 0.791 nan 8.290 nan 0.000 0.519 233 Q N -1.757 118.125 119.800 0.137 0.000 2.527 233 Q HA 0.251 4.591 4.340 -0.000 0.000 0.252 233 Q C 1.178 177.267 176.000 0.147 0.000 0.827 233 Q CA 0.154 56.048 55.803 0.153 0.000 0.979 233 Q CB 0.980 29.843 28.738 0.208 0.000 1.248 233 Q HN 0.504 nan 8.270 nan 0.000 0.578 234 R N 0.475 121.074 120.500 0.164 0.000 2.707 234 R HA 0.385 4.725 4.340 -0.000 0.000 0.272 234 R C -1.677 174.639 176.300 0.027 0.000 1.011 234 R CA -0.750 55.356 56.100 0.009 0.000 0.893 234 R CB 1.682 31.795 30.300 -0.312 0.000 1.233 234 R HN -0.046 nan 8.270 nan 0.000 0.464 235 D N 1.332 121.671 120.400 -0.102 0.000 2.163 235 D HA 0.405 5.045 4.640 -0.000 0.000 0.248 235 D C -0.764 175.374 176.300 -0.270 0.000 1.035 235 D CA 0.099 54.074 54.000 -0.040 0.000 0.872 235 D CB 1.173 41.962 40.800 -0.018 0.000 1.183 235 D HN 0.138 nan 8.370 nan 0.000 0.445 236 F N 0.727 120.678 119.950 0.002 0.000 2.546 236 F HA 0.403 4.930 4.527 -0.000 0.000 0.320 236 F C 0.621 176.432 175.800 0.018 0.000 1.076 236 F CA -0.640 57.354 58.000 -0.010 0.000 0.928 236 F CB 1.823 40.810 39.000 -0.020 0.000 1.189 236 F HN 0.216 nan 8.300 nan 0.000 0.465 237 Q N 0.047 119.961 119.800 0.190 0.000 2.737 237 Q HA 0.334 4.674 4.340 -0.000 0.000 0.307 237 Q C -1.630 174.480 176.000 0.183 0.000 0.905 237 Q CA -1.283 54.614 55.803 0.158 0.000 0.753 237 Q CB 1.749 30.544 28.738 0.095 0.000 1.463 237 Q HN 0.616 nan 8.270 nan 0.000 0.455 238 Q N 0.942 120.869 119.800 0.211 0.000 2.332 238 Q HA 0.250 4.590 4.340 -0.000 0.000 0.263 238 Q C -0.537 175.527 176.000 0.107 0.000 0.979 238 Q CA -0.267 55.668 55.803 0.220 0.000 0.885 238 Q CB 0.529 29.357 28.738 0.150 0.000 1.218 238 Q HN 0.586 nan 8.270 nan 0.000 0.405 239 I N 6.960 127.573 120.570 0.072 0.000 2.821 239 I HA -0.098 4.072 4.170 -0.000 0.000 0.294 239 I C -1.972 174.158 176.117 0.022 0.000 1.210 239 I CA -1.102 60.214 61.300 0.026 0.000 1.430 239 I CB 0.062 38.044 38.000 -0.031 0.000 1.356 239 I HN 0.452 nan 8.210 nan 0.000 0.563 240 P HA 0.206 nan 4.420 nan 0.000 0.267 240 P C -0.914 176.376 177.300 -0.017 0.000 1.209 240 P CA 0.186 63.286 63.100 -0.001 0.000 0.763 240 P CB 0.441 32.127 31.700 -0.023 0.000 0.816 241 L N 2.329 123.553 121.223 0.001 0.000 2.386 241 L HA 0.636 4.976 4.340 -0.000 0.000 0.271 241 L C 0.278 177.136 176.870 -0.020 0.000 0.993 241 L CA -1.198 53.639 54.840 -0.006 0.000 0.819 241 L CB 2.145 44.271 42.059 0.112 0.000 1.294 241 L HN 0.232 nan 8.230 nan 0.000 0.414 242 A N 3.025 125.793 122.820 -0.087 0.000 2.671 242 A HA 0.760 5.080 4.320 -0.000 0.000 0.306 242 A C 0.049 177.649 177.584 0.027 0.000 1.473 242 A CA 0.158 52.180 52.037 -0.025 0.000 1.155 242 A CB -0.370 18.542 19.000 -0.145 0.000 1.123 242 A HN 0.817 nan 8.150 nan 0.000 0.545 243 A N 1.980 124.784 122.820 -0.027 0.000 2.590 243 A HA 0.709 5.029 4.320 -0.000 0.000 0.294 243 A C -0.504 176.961 177.584 -0.199 0.000 1.046 243 A CA -0.478 51.441 52.037 -0.197 0.000 0.684 243 A CB 0.645 19.330 19.000 -0.524 0.000 1.279 243 A HN 0.685 nan 8.150 nan 0.000 0.415 244 T N 1.414 115.827 114.554 -0.236 0.000 2.841 244 T HA 0.504 4.854 4.350 -0.000 0.000 0.285 244 T C -0.016 174.531 174.700 -0.254 0.000 0.991 244 T CA -0.455 61.533 62.100 -0.187 0.000 0.966 244 T CB 1.296 70.112 68.868 -0.088 0.000 0.962 244 T HN 0.724 nan 8.240 nan 0.000 0.438 245 R N 2.256 122.592 120.500 -0.273 0.000 2.401 245 R HA 0.216 4.556 4.340 -0.000 0.000 0.299 245 R C 0.755 176.972 176.300 -0.140 0.000 1.064 245 R CA -0.329 55.608 56.100 -0.272 0.000 1.000 245 R CB 0.358 30.459 30.300 -0.331 0.000 0.973 245 R HN 0.410 nan 8.270 nan 0.000 0.438 246 R N 1.092 121.561 120.500 -0.051 0.000 2.225 246 R HA 0.128 4.467 4.340 -0.000 0.000 0.194 246 R C 0.219 176.497 176.300 -0.037 0.000 0.957 246 R CA 0.648 56.736 56.100 -0.020 0.000 1.042 246 R CB 0.350 30.667 30.300 0.029 0.000 1.004 246 R HN 0.755 nan 8.270 nan 0.000 0.509 247 S N -1.408 114.283 115.700 -0.015 0.000 2.643 247 S HA 0.378 4.848 4.470 -0.000 0.000 0.270 247 S C -2.622 171.952 174.600 -0.043 0.000 1.166 247 S CA -1.056 57.130 58.200 -0.023 0.000 0.815 247 S CB 2.125 65.330 63.200 0.008 0.000 1.139 247 S HN -0.256 nan 8.310 nan 0.000 0.472 248 P HA 0.027 nan 4.420 nan 0.000 0.223 248 P C 0.952 178.230 177.300 -0.036 0.000 1.144 248 P CA 1.703 64.769 63.100 -0.057 0.000 0.783 248 P CB -0.163 31.521 31.700 -0.027 0.000 0.771 249 T N -6.900 107.664 114.554 0.016 0.000 3.170 249 T HA 0.298 4.648 4.350 -0.000 0.000 0.288 249 T C -0.301 174.457 174.700 0.096 0.000 0.992 249 T CA -0.363 61.766 62.100 0.048 0.000 0.909 249 T CB -0.608 68.306 68.868 0.077 0.000 1.133 249 T HN -0.136 nan 8.240 nan 0.000 0.530 250 F N 1.651 121.545 119.950 -0.093 0.000 2.562 250 F HA 0.659 5.186 4.527 -0.000 0.000 0.319 250 F C -1.497 174.180 175.800 -0.205 0.000 1.154 250 F CA -1.139 56.802 58.000 -0.099 0.000 0.931 250 F CB 1.974 40.931 39.000 -0.072 0.000 1.198 250 F HN -0.092 nan 8.300 nan 0.000 0.444 251 V N 5.398 125.001 119.914 -0.519 0.000 2.409 251 V HA 0.270 4.390 4.120 -0.000 0.000 0.291 251 V C -0.290 175.310 176.094 -0.824 0.000 1.020 251 V CA -0.826 61.071 62.300 -0.672 0.000 0.848 251 V CB 1.595 32.830 31.823 -0.980 0.000 0.990 251 V HN 0.713 nan 8.190 nan 0.000 0.430 252 E N 4.642 124.603 120.200 -0.397 0.000 2.003 252 E HA 0.146 4.496 4.350 -0.000 0.000 0.279 252 E C -1.052 175.343 176.600 -0.342 0.000 1.132 252 E CA -0.544 55.752 56.400 -0.173 0.000 0.888 252 E CB 0.437 30.195 29.700 0.096 0.000 1.056 252 E HN 0.629 nan 8.360 nan 0.000 0.399 253 W N 2.992 124.200 121.300 -0.152 0.000 2.216 253 W HA 0.117 4.777 4.660 -0.000 0.000 0.326 253 W C 0.668 177.218 176.519 0.051 0.000 1.319 253 W CA -0.514 56.714 57.345 -0.195 0.000 1.213 253 W CB 0.851 29.932 29.460 -0.632 0.000 1.171 253 W HN 0.329 nan 8.180 nan 0.000 0.557 254 S N 1.707 117.613 115.700 0.343 0.000 2.608 254 S HA 0.580 5.050 4.470 -0.000 0.000 0.261 254 S C 0.174 175.220 174.600 0.744 0.000 1.314 254 S CA -0.483 57.993 58.200 0.461 0.000 0.992 254 S CB 1.059 64.528 63.200 0.449 0.000 0.935 254 S HN 0.522 nan 8.310 nan 0.000 0.564 255 S N -0.511 115.562 115.700 0.622 0.000 2.703 255 S HA 0.675 5.145 4.470 -0.000 0.000 0.273 255 S C 0.759 175.547 174.600 0.314 0.000 1.178 255 S CA -0.345 58.148 58.200 0.489 0.000 0.838 255 S CB 0.490 63.902 63.200 0.354 0.000 1.178 255 S HN 0.742 nan 8.310 nan 0.000 0.494 256 A N 1.756 124.657 122.820 0.134 0.000 1.903 256 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 256 A C 2.034 179.661 177.584 0.072 0.000 1.191 256 A CA 2.321 54.395 52.037 0.061 0.000 0.638 256 A CB -1.647 17.362 19.000 0.015 0.000 0.823 256 A HN 0.885 nan 8.150 nan 0.000 0.451 257 N N -0.617 118.133 118.700 0.084 0.000 2.137 257 N HA -0.166 4.574 4.740 -0.000 0.000 0.190 257 N C 1.585 177.119 175.510 0.040 0.000 1.017 257 N CA 2.130 55.206 53.050 0.043 0.000 0.859 257 N CB -0.290 38.235 38.487 0.064 0.000 1.002 257 N HN 0.498 nan 8.380 nan 0.000 0.428 258 T N 0.502 115.128 114.554 0.120 0.000 2.746 258 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 258 T C 2.080 176.817 174.700 0.061 0.000 1.039 258 T CA 1.258 63.435 62.100 0.128 0.000 1.142 258 T CB -0.250 68.769 68.868 0.250 0.000 0.866 258 T HN 0.062 nan 8.240 nan 0.000 0.444 259 V N -0.502 119.432 119.914 0.033 0.000 2.379 259 V HA 0.156 4.276 4.120 -0.000 0.000 0.245 259 V C 0.507 176.556 176.094 -0.075 0.000 1.044 259 V CA 0.968 63.208 62.300 -0.100 0.000 1.036 259 V CB -0.371 31.346 31.823 -0.177 0.000 0.664 259 V HN 0.482 nan 8.190 nan 0.000 0.453 260 F N 0.864 120.686 119.950 -0.212 0.000 2.623 260 F HA 0.377 4.904 4.527 -0.000 0.000 0.323 260 F C 0.209 175.893 175.800 -0.194 0.000 1.158 260 F CA -1.565 56.282 58.000 -0.256 0.000 1.030 260 F CB 1.411 40.205 39.000 -0.344 0.000 1.280 260 F HN 0.144 nan 8.300 nan 0.000 0.474 261 D N 4.816 124.750 120.400 -0.775 0.000 2.371 261 D HA -0.055 4.585 4.640 -0.000 0.000 0.221 261 D C 1.181 177.195 176.300 -0.477 0.000 0.986 261 D CA 1.127 54.827 54.000 -0.500 0.000 0.899 261 D CB -0.044 40.520 40.800 -0.394 0.000 0.902 261 D HN 0.687 nan 8.370 nan 0.000 0.530 262 L N -1.863 118.893 121.223 -0.779 0.000 4.625 262 L HA -0.239 4.101 4.340 -0.000 0.000 0.428 262 L C -0.238 176.605 176.870 -0.046 0.000 1.129 262 L CA 0.435 55.123 54.840 -0.254 0.000 0.978 262 L CB -1.383 40.691 42.059 0.026 0.000 2.043 262 L HN 0.229 nan 8.230 nan 0.000 0.847 263 Q N 0.904 120.566 119.800 -0.231 0.000 2.314 263 Q HA 0.230 4.570 4.340 -0.000 0.000 0.258 263 Q C 0.390 176.456 176.000 0.109 0.000 0.954 263 Q CA -0.093 55.668 55.803 -0.069 0.000 0.890 263 Q CB 0.667 29.328 28.738 -0.129 0.000 1.210 263 Q HN 0.126 nan 8.270 nan 0.000 0.410 264 N N 2.092 120.853 118.700 0.102 0.000 2.454 264 N HA 0.060 4.800 4.740 -0.000 0.000 0.254 264 N C -0.268 175.308 175.510 0.110 0.000 1.228 264 N CA 0.429 53.542 53.050 0.106 0.000 0.900 264 N CB 0.580 39.036 38.487 -0.052 0.000 1.089 264 N HN 0.259 nan 8.380 nan 0.000 0.449 265 R N 1.494 122.090 120.500 0.160 0.000 2.807 265 R HA 0.519 4.859 4.340 -0.000 0.000 0.276 265 R C -2.462 173.900 176.300 0.103 0.000 0.979 265 R CA -1.662 54.516 56.100 0.130 0.000 0.928 265 R CB 1.398 31.801 30.300 0.171 0.000 1.191 265 R HN 0.353 nan 8.270 nan 0.000 0.471 266 P HA 0.093 nan 4.420 nan 0.000 0.271 266 P C -1.292 176.061 177.300 0.088 0.000 1.218 266 P CA -0.260 62.928 63.100 0.145 0.000 0.780 266 P CB 0.573 32.407 31.700 0.223 0.000 0.901 267 N N -1.253 117.486 118.700 0.066 0.000 2.902 267 N HA 0.278 5.018 4.740 -0.000 0.000 0.268 267 N C 0.490 176.014 175.510 0.023 0.000 1.450 267 N CA -0.782 52.288 53.050 0.033 0.000 0.819 267 N CB -0.461 38.034 38.487 0.013 0.000 1.540 267 N HN 0.031 nan 8.380 nan 0.000 0.545 268 T N -0.773 113.786 114.554 0.009 0.000 2.720 268 T HA -0.122 4.228 4.350 -0.000 0.000 0.268 268 T C 0.442 175.142 174.700 0.000 0.000 1.037 268 T CA 1.649 63.751 62.100 0.003 0.000 1.144 268 T CB -0.472 68.394 68.868 -0.004 0.000 0.864 268 T HN 0.536 nan 8.240 nan 0.000 0.444 269 D N 1.203 121.599 120.400 -0.006 0.000 2.269 269 D HA 0.134 4.774 4.640 -0.000 0.000 0.208 269 D C 0.858 177.157 176.300 -0.001 0.000 0.963 269 D CA 0.593 54.586 54.000 -0.011 0.000 0.864 269 D CB 0.149 40.932 40.800 -0.029 0.000 0.936 269 D HN 0.398 nan 8.370 nan 0.000 0.505 270 A N 1.302 124.130 122.820 0.014 0.000 3.266 270 A HA 0.316 4.636 4.320 -0.000 0.000 0.310 270 A C -2.032 175.594 177.584 0.070 0.000 1.066 270 A CA -0.863 51.197 52.037 0.038 0.000 0.839 270 A CB 1.042 20.065 19.000 0.038 0.000 1.192 270 A HN -0.158 nan 8.150 nan 0.000 0.496 271 P HA -0.041 nan 4.420 nan 0.000 0.229 271 P C 0.570 177.950 177.300 0.133 0.000 1.160 271 P CA 1.064 64.207 63.100 0.072 0.000 0.777 271 P CB 0.467 32.179 31.700 0.020 0.000 0.814 272 E N -0.297 119.996 120.200 0.156 0.000 2.501 272 E HA 0.113 4.463 4.350 -0.000 0.000 0.200 272 E C 0.092 176.905 176.600 0.355 0.000 1.016 272 E CA -0.017 56.554 56.400 0.285 0.000 0.921 272 E CB 0.492 30.271 29.700 0.133 0.000 1.034 272 E HN 0.472 nan 8.360 nan 0.000 0.468 273 E N 0.815 121.156 120.200 0.236 0.000 2.250 273 E HA 0.434 4.784 4.350 -0.000 0.000 0.269 273 E C -0.232 176.434 176.600 0.110 0.000 1.018 273 E CA -0.488 56.004 56.400 0.153 0.000 0.873 273 E CB 1.471 31.252 29.700 0.135 0.000 1.134 273 E HN -0.128 nan 8.360 nan 0.000 0.403 274 R N 1.672 122.201 120.500 0.049 0.000 2.500 274 R HA 0.419 4.759 4.340 -0.000 0.000 0.299 274 R C -1.651 174.741 176.300 0.153 0.000 1.038 274 R CA -0.542 55.555 56.100 -0.005 0.000 0.903 274 R CB 1.019 31.190 30.300 -0.214 0.000 1.177 274 R HN 0.412 nan 8.270 nan 0.000 0.455 275 F N 2.299 122.243 119.950 -0.011 0.000 2.604 275 F HA 0.430 4.957 4.527 -0.000 0.000 0.316 275 F C -1.725 174.018 175.800 -0.096 0.000 1.136 275 F CA -0.668 57.319 58.000 -0.022 0.000 0.989 275 F CB 1.940 41.001 39.000 0.102 0.000 1.258 275 F HN 0.382 nan 8.300 nan 0.000 0.451 276 N N 4.809 122.869 118.700 -1.067 0.000 2.296 276 N HA 0.582 5.322 4.740 -0.000 0.000 0.294 276 N C -1.968 172.505 175.510 -1.729 0.000 1.033 276 N CA -0.635 51.703 53.050 -1.185 0.000 0.839 276 N CB 2.308 40.273 38.487 -0.870 0.000 1.395 276 N HN 0.579 nan 8.380 nan 0.000 0.479 277 L N 2.767 123.183 121.223 -1.346 0.000 2.282 277 L HA 0.608 4.948 4.340 -0.000 0.000 0.288 277 L C -1.612 174.687 176.870 -0.952 0.000 1.033 277 L CA -0.255 54.049 54.840 -0.895 0.000 0.807 277 L CB 0.042 41.934 42.059 -0.277 0.000 1.209 277 L HN 0.450 nan 8.230 nan 0.000 0.423 278 F N 6.672 126.383 119.950 -0.397 0.000 2.359 278 F HA 0.534 5.061 4.527 -0.000 0.000 0.369 278 F C -2.082 173.674 175.800 -0.074 0.000 1.084 278 F CA -2.177 55.689 58.000 -0.224 0.000 1.096 278 F CB 0.630 39.481 39.000 -0.247 0.000 1.335 278 F HN 0.419 nan 8.300 nan 0.000 0.457 279 P HA 0.331 nan 4.420 nan 0.000 0.276 279 P C -0.030 177.330 177.300 0.099 0.000 1.252 279 P CA -0.252 62.892 63.100 0.075 0.000 0.802 279 P CB 1.141 32.863 31.700 0.037 0.000 1.035 280 A N -0.813 122.049 122.820 0.070 0.000 2.846 280 A HA -0.085 4.235 4.320 -0.000 0.000 0.287 280 A C -0.100 177.512 177.584 0.047 0.000 1.469 280 A CA 0.687 52.756 52.037 0.053 0.000 0.757 280 A CB -2.430 16.602 19.000 0.052 0.000 1.033 280 A HN 0.263 nan 8.150 nan 0.000 0.516 281 V N -0.301 119.655 119.914 0.070 0.000 2.443 281 V HA 0.672 4.792 4.120 -0.000 0.000 0.293 281 V C 0.578 176.672 176.094 0.001 0.000 1.021 281 V CA -0.313 62.024 62.300 0.061 0.000 0.848 281 V CB 1.547 33.494 31.823 0.207 0.000 0.998 281 V HN 1.509 nan 8.190 nan 0.000 0.424 282 A N 4.214 127.005 122.820 -0.048 0.000 2.347 282 A HA 0.447 4.767 4.320 -0.000 0.000 0.287 282 A C 0.166 177.719 177.584 -0.053 0.000 1.199 282 A CA -0.163 51.830 52.037 -0.072 0.000 0.851 282 A CB -0.168 18.825 19.000 -0.011 0.000 1.118 282 A HN 0.870 nan 8.150 nan 0.000 0.525 283 C N 2.870 122.114 119.300 -0.092 0.000 2.415 283 C HA 0.329 4.789 4.460 -0.000 0.000 0.369 283 C C 1.374 176.320 174.990 -0.073 0.000 1.279 283 C CA -0.225 58.730 59.018 -0.104 0.000 1.886 283 C CB -0.414 27.258 27.740 -0.114 0.000 2.468 283 C HN 1.010 nan 8.230 nan 0.000 0.553 284 E N 1.009 121.184 120.200 -0.041 0.000 2.332 284 E HA 0.101 4.451 4.350 -0.000 0.000 0.202 284 E C 0.267 176.835 176.600 -0.053 0.000 0.877 284 E CA 0.303 56.685 56.400 -0.031 0.000 0.979 284 E CB 0.482 30.188 29.700 0.009 0.000 0.969 284 E HN 0.761 nan 8.360 nan 0.000 0.495 285 R N 0.125 120.595 120.500 -0.050 0.000 2.664 285 R HA 0.414 4.754 4.340 -0.000 0.000 0.266 285 R C -0.839 175.390 176.300 -0.118 0.000 1.046 285 R CA -0.831 55.210 56.100 -0.099 0.000 0.885 285 R CB 1.050 31.265 30.300 -0.142 0.000 1.254 285 R HN -0.079 nan 8.270 nan 0.000 0.465 286 V N -0.630 119.204 119.914 -0.134 0.000 2.472 286 V HA 0.629 4.748 4.120 -0.000 0.000 0.290 286 V C 0.030 176.008 176.094 -0.192 0.000 1.037 286 V CA -0.834 61.356 62.300 -0.182 0.000 0.908 286 V CB 1.676 33.369 31.823 -0.217 0.000 0.985 286 V HN 0.509 nan 8.190 nan 0.000 0.454 287 V N 5.738 125.519 119.914 -0.222 0.000 2.383 287 V HA 0.469 4.589 4.120 -0.000 0.000 0.275 287 V C 0.591 176.623 176.094 -0.103 0.000 1.036 287 V CA -0.448 61.741 62.300 -0.185 0.000 0.889 287 V CB 0.919 32.638 31.823 -0.174 0.000 0.985 287 V HN 0.954 nan 8.190 nan 0.000 0.459 288 R N 3.819 124.282 120.500 -0.062 0.000 2.459 288 R HA 0.343 4.683 4.340 -0.000 0.000 0.281 288 R C 0.282 176.596 176.300 0.023 0.000 1.050 288 R CA -0.654 55.477 56.100 0.053 0.000 1.055 288 R CB 0.762 31.079 30.300 0.029 0.000 1.045 288 R HN 0.856 nan 8.270 nan 0.000 0.495 289 N N 1.452 120.182 118.700 0.049 0.000 2.317 289 N HA -0.009 4.731 4.740 -0.000 0.000 0.245 289 N C 0.557 176.051 175.510 -0.027 0.000 1.294 289 N CA 0.124 53.175 53.050 0.002 0.000 0.924 289 N CB 0.388 38.875 38.487 0.000 0.000 1.186 289 N HN 0.571 nan 8.380 nan 0.000 0.495 290 A N 0.055 122.856 122.820 -0.033 0.000 1.969 290 A HA -0.025 4.295 4.320 -0.000 0.000 0.218 290 A C 2.227 179.776 177.584 -0.058 0.000 1.169 290 A CA 0.863 52.875 52.037 -0.041 0.000 0.635 290 A CB -0.748 18.233 19.000 -0.031 0.000 0.810 290 A HN 0.634 nan 8.150 nan 0.000 0.445 291 L N -0.950 120.230 121.223 -0.073 0.000 2.554 291 L HA -0.007 4.333 4.340 -0.000 0.000 0.226 291 L C -0.038 176.729 176.870 -0.172 0.000 1.137 291 L CA -0.006 54.774 54.840 -0.100 0.000 0.863 291 L CB -0.339 41.664 42.059 -0.094 0.000 0.985 291 L HN 0.403 nan 8.230 nan 0.000 0.451 292 N N 0.242 118.820 118.700 -0.204 0.000 2.727 292 N HA -0.172 4.568 4.740 -0.000 0.000 0.251 292 N C 0.750 175.654 175.510 -1.010 0.000 1.040 292 N CA 1.027 53.834 53.050 -0.404 0.000 0.712 292 N CB -1.215 37.175 38.487 -0.163 0.000 0.912 292 N HN 0.518 nan 8.380 nan 0.000 0.545 293 S N -2.157 113.067 115.700 -0.793 0.000 2.687 293 S HA 0.279 4.749 4.470 -0.000 0.000 0.247 293 S C 0.204 174.575 174.600 -0.381 0.000 1.050 293 S CA -0.261 57.552 58.200 -0.644 0.000 1.063 293 S CB 1.595 64.633 63.200 -0.270 0.000 1.039 293 S HN 0.373 nan 8.310 nan 0.000 0.580 294 E N 0.426 120.512 120.200 -0.190 0.000 2.363 294 E HA 0.424 4.774 4.350 -0.000 0.000 0.281 294 E C -1.733 175.047 176.600 0.300 0.000 0.953 294 E CA -0.804 55.697 56.400 0.170 0.000 0.778 294 E CB 1.326 31.089 29.700 0.105 0.000 1.220 294 E HN 0.097 nan 8.360 nan 0.000 0.431 295 I N 3.386 124.099 120.570 0.239 0.000 2.396 295 I HA 0.150 4.320 4.170 -0.000 0.000 0.292 295 I C 0.921 176.981 176.117 -0.095 0.000 0.999 295 I CA 0.069 61.331 61.300 -0.064 0.000 1.310 295 I CB 1.269 38.981 38.000 -0.480 0.000 1.404 295 I HN 0.683 nan 8.210 nan 0.000 0.496 296 E N 2.991 123.130 120.200 -0.100 0.000 2.413 296 E HA 0.104 4.454 4.350 -0.000 0.000 0.203 296 E C 0.219 176.875 176.600 0.094 0.000 0.957 296 E CA 0.321 56.747 56.400 0.043 0.000 0.950 296 E CB 0.662 30.389 29.700 0.045 0.000 0.957 296 E HN 0.723 nan 8.360 nan 0.000 0.497 297 S N -0.372 115.305 115.700 -0.038 0.000 2.643 297 S HA 0.463 4.933 4.470 -0.000 0.000 0.266 297 S C -1.682 172.945 174.600 0.044 0.000 1.130 297 S CA -1.061 57.227 58.200 0.147 0.000 0.817 297 S CB 1.156 64.485 63.200 0.215 0.000 1.107 297 S HN 0.011 nan 8.310 nan 0.000 0.471 298 L N 1.852 123.210 121.223 0.224 0.000 2.325 298 L HA 0.706 5.046 4.340 -0.000 0.000 0.281 298 L C -1.437 175.537 176.870 0.174 0.000 1.004 298 L CA -0.119 54.804 54.840 0.138 0.000 0.823 298 L CB 0.989 43.134 42.059 0.143 0.000 1.236 298 L HN 0.898 nan 8.230 nan 0.000 0.415 299 H N 5.630 124.656 119.070 -0.073 0.000 2.604 299 H HA 0.582 5.138 4.556 -0.000 0.000 0.306 299 H C -0.264 175.008 175.328 -0.094 0.000 1.075 299 H CA -0.073 55.936 56.048 -0.064 0.000 1.357 299 H CB 0.768 30.497 29.762 -0.055 0.000 1.426 299 H HN 0.685 nan 8.280 nan 0.000 0.470 300 I N -0.365 120.180 120.570 -0.041 0.000 2.846 300 I HA 0.463 4.633 4.170 -0.000 0.000 0.307 300 I C -0.639 175.521 176.117 0.071 0.000 1.053 300 I CA -0.867 60.389 61.300 -0.074 0.000 1.050 300 I CB 2.756 40.578 38.000 -0.297 0.000 1.239 300 I HN 0.535 nan 8.210 nan 0.000 0.439 301 H N 3.678 122.730 119.070 -0.029 0.000 2.860 301 H HA 0.231 4.787 4.556 -0.000 0.000 0.312 301 H C -1.424 173.935 175.328 0.052 0.000 0.995 301 H CA -0.678 55.372 56.048 0.004 0.000 1.311 301 H CB 1.372 31.136 29.762 0.003 0.000 1.478 301 H HN 0.787 nan 8.280 nan 0.000 0.508 302 D N 5.502 125.902 120.400 -0.001 0.000 2.358 302 D HA -0.015 4.625 4.640 -0.000 0.000 0.258 302 D C 1.113 177.241 176.300 -0.287 0.000 1.223 302 D CA 0.010 53.986 54.000 -0.040 0.000 0.886 302 D CB 0.975 41.877 40.800 0.170 0.000 1.120 302 D HN 0.685 nan 8.370 nan 0.000 0.482 303 L N 4.290 125.362 121.223 -0.251 0.000 2.313 303 L HA -0.104 4.236 4.340 -0.000 0.000 0.214 303 L C 1.913 178.734 176.870 -0.081 0.000 1.119 303 L CA 0.124 54.819 54.840 -0.242 0.000 0.809 303 L CB -0.029 41.980 42.059 -0.082 0.000 0.933 303 L HN 0.503 nan 8.230 nan 0.000 0.449 304 I N -0.473 120.083 120.570 -0.024 0.000 2.270 304 I HA -0.156 4.014 4.170 -0.000 0.000 0.239 304 I C 2.807 178.940 176.117 0.026 0.000 1.080 304 I CA 1.701 63.010 61.300 0.015 0.000 1.383 304 I CB -1.364 36.657 38.000 0.036 0.000 1.097 304 I HN 0.256 nan 8.210 nan 0.000 0.420 305 S N 0.570 116.297 115.700 0.044 0.000 2.387 305 S HA 0.040 4.510 4.470 -0.000 0.000 0.226 305 S C 1.865 176.498 174.600 0.056 0.000 1.026 305 S CA 1.203 59.440 58.200 0.062 0.000 0.972 305 S CB -0.188 63.076 63.200 0.106 0.000 0.814 305 S HN 0.643 nan 8.310 nan 0.000 0.477 306 G N 0.708 109.539 108.800 0.051 0.000 2.176 306 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.232 306 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.232 306 G C -0.430 174.577 174.900 0.178 0.000 0.986 306 G CA 0.090 45.273 45.100 0.138 0.000 0.643 306 G HN 0.562 nan 8.290 nan 0.000 0.522 307 D N 0.692 121.132 120.400 0.067 0.000 2.341 307 D HA 0.509 5.149 4.640 -0.000 0.000 0.245 307 D C 0.890 177.081 176.300 -0.182 0.000 1.106 307 D CA 0.139 54.052 54.000 -0.145 0.000 0.905 307 D CB 0.639 41.243 40.800 -0.327 0.000 1.202 307 D HN 0.366 nan 8.370 nan 0.000 0.426 308 R N 1.329 121.589 120.500 -0.400 0.000 2.514 308 R HA 0.591 4.931 4.340 -0.000 0.000 0.301 308 R C -0.713 175.213 176.300 -0.624 0.000 0.962 308 R CA -0.640 55.274 56.100 -0.310 0.000 0.882 308 R CB 1.207 31.388 30.300 -0.199 0.000 1.143 308 R HN 0.286 nan 8.270 nan 0.000 0.452 309 F N 0.007 119.873 119.950 -0.140 0.000 2.613 309 F HA 0.335 4.862 4.527 -0.000 0.000 0.314 309 F C -0.001 175.623 175.800 -0.294 0.000 1.075 309 F CA -0.964 56.927 58.000 -0.182 0.000 0.945 309 F CB 2.009 40.926 39.000 -0.139 0.000 1.310 309 F HN 0.289 nan 8.300 nan 0.000 0.467 310 E N 2.541 122.705 120.200 -0.060 0.000 2.151 310 E HA 0.529 4.879 4.350 -0.000 0.000 0.275 310 E C -1.094 175.523 176.600 0.029 0.000 0.936 310 E CA -0.618 55.706 56.400 -0.126 0.000 0.777 310 E CB 1.933 31.557 29.700 -0.128 0.000 1.108 310 E HN 0.231 nan 8.360 nan 0.000 0.401 311 I N 2.579 123.184 120.570 0.059 0.000 2.474 311 I HA 0.352 4.522 4.170 -0.000 0.000 0.294 311 I C -0.141 176.104 176.117 0.213 0.000 1.005 311 I CA -0.889 60.480 61.300 0.114 0.000 1.113 311 I CB 1.557 39.598 38.000 0.068 0.000 1.289 311 I HN 0.423 nan 8.210 nan 0.000 0.436 312 K N 4.075 124.599 120.400 0.206 0.000 2.259 312 K HA 0.867 5.187 4.320 -0.000 0.000 0.252 312 K C -1.223 175.455 176.600 0.129 0.000 0.936 312 K CA -0.332 56.090 56.287 0.225 0.000 0.810 312 K CB 2.197 34.792 32.500 0.160 0.000 1.143 312 K HN 0.829 nan 8.250 nan 0.000 0.427 313 A N 2.424 125.227 122.820 -0.029 0.000 2.593 313 A HA 0.379 4.699 4.320 -0.000 0.000 0.290 313 A C -0.614 176.849 177.584 -0.201 0.000 1.126 313 A CA -0.676 51.217 52.037 -0.240 0.000 0.695 313 A CB 1.134 19.801 19.000 -0.554 0.000 1.290 313 A HN 0.793 nan 8.150 nan 0.000 0.414 314 D N -0.554 119.781 120.400 -0.108 0.000 2.194 314 D HA 0.130 4.770 4.640 -0.000 0.000 0.204 314 D C 0.254 176.492 176.300 -0.103 0.000 0.964 314 D CA 1.639 55.655 54.000 0.027 0.000 0.846 314 D CB 0.243 41.126 40.800 0.139 0.000 0.962 314 D HN 0.212 nan 8.370 nan 0.000 0.490 315 V N 0.656 120.346 119.914 -0.373 0.000 2.638 315 V HA 0.274 4.394 4.120 -0.000 0.000 0.306 315 V C -1.310 174.529 176.094 -0.426 0.000 1.052 315 V CA -0.877 61.192 62.300 -0.385 0.000 0.885 315 V CB 1.889 33.349 31.823 -0.603 0.000 0.999 315 V HN -0.069 nan 8.190 nan 0.000 0.424 316 Y N 3.047 123.333 120.300 -0.024 0.000 2.328 316 Y HA 0.694 5.244 4.550 -0.000 0.000 0.336 316 Y C -0.084 175.775 175.900 -0.068 0.000 0.960 316 Y CA -0.879 57.196 58.100 -0.042 0.000 1.134 316 Y CB 2.105 40.545 38.460 -0.034 0.000 1.166 316 Y HN 0.359 nan 8.280 nan 0.000 0.464 317 V N 5.532 125.409 119.914 -0.062 0.000 2.487 317 V HA 0.395 4.515 4.120 -0.000 0.000 0.298 317 V C -0.469 175.496 176.094 -0.215 0.000 1.028 317 V CA -0.937 61.210 62.300 -0.255 0.000 0.860 317 V CB 1.749 33.199 31.823 -0.622 0.000 0.991 317 V HN 0.593 nan 8.190 nan 0.000 0.427 318 L N 5.145 126.235 121.223 -0.221 0.000 2.276 318 L HA 0.544 4.884 4.340 -0.000 0.000 0.286 318 L C 0.312 177.081 176.870 -0.168 0.000 1.024 318 L CA -0.179 54.553 54.840 -0.180 0.000 0.826 318 L CB 1.551 43.482 42.059 -0.213 0.000 1.211 318 L HN 0.821 nan 8.230 nan 0.000 0.422 319 T N -1.581 112.910 114.554 -0.105 0.000 3.624 319 T HA 0.379 4.729 4.350 -0.000 0.000 0.244 319 T C 0.634 175.341 174.700 0.011 0.000 1.063 319 T CA -0.161 61.919 62.100 -0.034 0.000 1.252 319 T CB 1.035 69.888 68.868 -0.025 0.000 1.021 319 T HN 0.524 nan 8.240 nan 0.000 0.590 320 A N 0.772 123.607 122.820 0.025 0.000 2.345 320 A HA 0.784 5.104 4.320 -0.000 0.000 0.225 320 A C 1.380 179.038 177.584 0.123 0.000 1.243 320 A CA 0.070 52.145 52.037 0.063 0.000 0.875 320 A CB -0.683 18.350 19.000 0.054 0.000 0.929 320 A HN 1.708 nan 8.150 nan 0.000 0.502 321 G N -2.395 106.474 108.800 0.115 0.000 2.707 321 G HA2 0.253 4.213 3.960 -0.000 0.000 0.686 321 G HA3 0.253 4.213 3.960 -0.000 0.000 0.686 321 G C 0.759 175.753 174.900 0.158 0.000 1.315 321 G CA -0.311 44.864 45.100 0.124 0.000 0.832 321 G HN 1.284 nan 8.290 nan 0.000 0.573 322 A N -0.560 122.337 122.820 0.127 0.000 1.969 322 A HA 0.254 4.574 4.320 -0.000 0.000 0.218 322 A C 2.607 180.272 177.584 0.134 0.000 1.169 322 A CA 3.091 55.201 52.037 0.121 0.000 0.635 322 A CB -0.279 18.761 19.000 0.067 0.000 0.810 322 A HN 1.559 nan 8.150 nan 0.000 0.445 323 V N -1.104 118.845 119.914 0.058 0.000 2.379 323 V HA -0.169 3.951 4.120 -0.000 0.000 0.243 323 V C 2.180 178.306 176.094 0.054 0.000 1.035 323 V CA 2.034 64.340 62.300 0.010 0.000 1.035 323 V CB -0.965 30.741 31.823 -0.196 0.000 0.673 323 V HN 0.730 nan 8.190 nan 0.000 0.457 324 H N -0.346 118.798 119.070 0.122 0.000 2.470 324 H HA -0.009 4.547 4.556 -0.000 0.000 0.289 324 H C 2.264 177.586 175.328 -0.009 0.000 1.033 324 H CA 0.848 56.925 56.048 0.047 0.000 1.331 324 H CB 0.169 29.941 29.762 0.016 0.000 1.414 324 H HN 0.318 nan 8.280 nan 0.000 0.545 325 N N 0.014 118.790 118.700 0.127 0.000 2.043 325 N HA -0.128 4.612 4.740 -0.000 0.000 0.193 325 N C 1.821 177.314 175.510 -0.029 0.000 1.037 325 N CA 1.876 54.927 53.050 0.002 0.000 0.851 325 N CB -0.588 37.880 38.487 -0.031 0.000 1.027 325 N HN 0.306 nan 8.380 nan 0.000 0.422 326 T N 1.017 115.636 114.554 0.108 0.000 2.720 326 T HA -0.203 4.147 4.350 -0.000 0.000 0.268 326 T C 1.842 176.414 174.700 -0.214 0.000 1.037 326 T CA 1.287 63.448 62.100 0.101 0.000 1.144 326 T CB -0.295 68.778 68.868 0.341 0.000 0.864 326 T HN 0.366 nan 8.240 nan 0.000 0.444 327 Q N 0.090 119.651 119.800 -0.398 0.000 2.061 327 Q HA -0.140 4.200 4.340 -0.000 0.000 0.204 327 Q C 2.319 178.035 176.000 -0.473 0.000 0.984 327 Q CA 1.252 56.490 55.803 -0.942 0.000 0.846 327 Q CB -0.254 28.265 28.738 -0.365 0.000 0.902 327 Q HN 0.363 nan 8.270 nan 0.000 0.421 328 L N 0.650 121.731 121.223 -0.236 0.000 2.046 328 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 328 L C 2.089 178.863 176.870 -0.160 0.000 1.077 328 L CA 1.536 56.274 54.840 -0.170 0.000 0.747 328 L CB -0.681 41.300 42.059 -0.129 0.000 0.896 328 L HN 0.312 nan 8.230 nan 0.000 0.432 329 L N -1.826 119.286 121.223 -0.184 0.000 2.017 329 L HA -0.225 4.115 4.340 -0.000 0.000 0.208 329 L C 2.429 179.322 176.870 0.039 0.000 1.073 329 L CA 1.116 55.875 54.840 -0.135 0.000 0.745 329 L CB -0.667 41.213 42.059 -0.299 0.000 0.894 329 L HN 0.086 nan 8.230 nan 0.000 0.432 330 V N -0.142 119.720 119.914 -0.086 0.000 2.427 330 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 330 V C 2.088 178.147 176.094 -0.058 0.000 1.051 330 V CA 1.925 64.197 62.300 -0.045 0.000 1.048 330 V CB -0.686 31.073 31.823 -0.107 0.000 0.666 330 V HN 0.484 nan 8.190 nan 0.000 0.456 331 N N 0.027 118.650 118.700 -0.127 0.000 2.520 331 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 331 N C 1.569 177.042 175.510 -0.061 0.000 1.068 331 N CA 1.092 54.089 53.050 -0.089 0.000 0.911 331 N CB -0.039 38.383 38.487 -0.109 0.000 0.961 331 N HN 0.388 nan 8.380 nan 0.000 0.446 332 S N -1.509 114.176 115.700 -0.025 0.000 2.556 332 S HA 0.303 4.773 4.470 -0.000 0.000 0.216 332 S C 1.124 175.681 174.600 -0.073 0.000 0.970 332 S CA 0.301 58.488 58.200 -0.022 0.000 0.912 332 S CB 0.482 63.728 63.200 0.077 0.000 0.790 332 S HN 0.540 nan 8.310 nan 0.000 0.504 333 G N 1.090 109.859 108.800 -0.051 0.000 2.157 333 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.239 333 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.239 333 G C -0.049 174.750 174.900 -0.170 0.000 0.982 333 G CA -0.517 44.513 45.100 -0.117 0.000 0.650 333 G HN 0.420 nan 8.290 nan 0.000 0.527 334 F N 0.947 120.864 119.950 -0.056 0.000 2.382 334 F HA 0.511 5.038 4.527 -0.000 0.000 0.331 334 F C 1.685 177.490 175.800 0.009 0.000 1.121 334 F CA 1.166 59.148 58.000 -0.030 0.000 1.183 334 F CB 0.883 39.836 39.000 -0.078 0.000 1.207 334 F HN 0.755 nan 8.300 nan 0.000 0.555 335 G N 1.920 110.855 108.800 0.225 0.000 2.582 335 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.288 335 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.288 335 G C -0.698 174.272 174.900 0.117 0.000 1.247 335 G CA 0.241 45.443 45.100 0.170 0.000 0.972 335 G HN 0.864 nan 8.290 nan 0.000 0.557 336 Q N -1.059 118.816 119.800 0.126 0.000 2.289 336 Q HA 0.628 4.968 4.340 -0.000 0.000 0.270 336 Q C -1.014 175.067 176.000 0.135 0.000 1.038 336 Q CA -0.998 54.861 55.803 0.093 0.000 0.812 336 Q CB 1.794 30.567 28.738 0.058 0.000 1.300 336 Q HN 0.811 nan 8.270 nan 0.000 0.427 337 L N 3.230 124.523 121.223 0.116 0.000 2.436 337 L HA 0.723 5.063 4.340 -0.000 0.000 0.265 337 L C 0.507 177.460 176.870 0.138 0.000 1.168 337 L CA 2.072 57.008 54.840 0.160 0.000 0.815 337 L CB 1.026 43.153 42.059 0.114 0.000 1.109 337 L HN 0.897 nan 8.230 nan 0.000 0.462 338 G N 3.165 112.100 108.800 0.226 0.000 2.760 338 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.246 338 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.246 338 G C -0.444 174.351 174.900 -0.175 0.000 1.359 338 G CA -0.138 45.048 45.100 0.143 0.000 0.861 338 G HN 0.894 nan 8.290 nan 0.000 0.541 339 R N 0.794 120.958 120.500 -0.561 0.000 2.449 339 R HA 0.387 4.727 4.340 -0.000 0.000 0.296 339 R C -1.921 173.936 176.300 -0.738 0.000 1.047 339 R CA -0.754 54.578 56.100 -1.281 0.000 1.018 339 R CB 0.020 29.841 30.300 -0.799 0.000 0.962 339 R HN 0.348 nan 8.270 nan 0.000 0.428 340 P HA -0.111 nan 4.420 nan 0.000 0.261 340 P C -1.294 175.846 177.300 -0.266 0.000 1.173 340 P CA 0.637 63.501 63.100 -0.393 0.000 0.760 340 P CB 0.318 31.807 31.700 -0.351 0.000 0.783 341 N N 3.751 122.354 118.700 -0.162 0.000 2.573 341 N HA 0.210 4.950 4.740 -0.000 0.000 0.262 341 N C -1.679 173.788 175.510 -0.072 0.000 1.029 341 N CA -1.911 51.071 53.050 -0.113 0.000 0.882 341 N CB 1.331 39.761 38.487 -0.095 0.000 1.204 341 N HN 0.183 nan 8.380 nan 0.000 0.519 342 P HA -0.036 nan 4.420 nan 0.000 0.218 342 P C 0.448 177.731 177.300 -0.029 0.000 1.152 342 P CA 0.636 63.710 63.100 -0.043 0.000 0.826 342 P CB 0.149 31.823 31.700 -0.044 0.000 0.790 343 A N 0.116 122.917 122.820 -0.032 0.000 2.810 343 A HA 0.122 4.442 4.320 -0.000 0.000 0.247 343 A C 0.693 178.264 177.584 -0.022 0.000 1.576 343 A CA 0.166 52.189 52.037 -0.023 0.000 1.294 343 A CB -1.614 17.372 19.000 -0.023 0.000 0.976 343 A HN 0.193 nan 8.150 nan 0.000 0.631 344 N N -0.079 118.609 118.700 -0.020 0.000 3.596 344 N HA 0.035 4.775 4.740 -0.000 0.000 0.135 344 N C -3.402 172.102 175.510 -0.010 0.000 0.982 344 N CA -0.420 52.620 53.050 -0.016 0.000 2.806 344 N CB 0.425 38.897 38.487 -0.024 0.000 1.378 344 N HN 0.203 nan 8.380 nan 0.000 0.776 345 P HA 0.365 nan 4.420 nan 0.000 0.272 345 P C -2.539 174.772 177.300 0.019 0.000 1.230 345 P CA -0.577 62.529 63.100 0.011 0.000 0.788 345 P CB -0.100 31.611 31.700 0.019 0.000 0.949 346 P HA 0.158 nan 4.420 nan 0.000 0.274 346 P C 0.824 178.147 177.300 0.038 0.000 1.246 346 P CA -0.173 62.950 63.100 0.038 0.000 0.795 346 P CB 1.107 32.843 31.700 0.061 0.000 1.006 347 E N 0.009 120.225 120.200 0.026 0.000 2.072 347 E HA -0.033 4.317 4.350 -0.000 0.000 0.191 347 E C 0.120 176.749 176.600 0.048 0.000 0.985 347 E CA 0.808 57.222 56.400 0.023 0.000 0.801 347 E CB 0.053 29.752 29.700 -0.001 0.000 0.750 347 E HN 0.376 nan 8.360 nan 0.000 0.452 348 L N 1.403 122.664 121.223 0.063 0.000 2.322 348 L HA 0.268 4.608 4.340 -0.000 0.000 0.281 348 L C -0.038 176.953 176.870 0.201 0.000 1.014 348 L CA -0.642 54.273 54.840 0.126 0.000 0.815 348 L CB 1.731 43.814 42.059 0.040 0.000 1.247 348 L HN 0.171 nan 8.230 nan 0.000 0.421 349 L N 4.508 125.876 121.223 0.240 0.000 3.826 349 L HA -0.179 4.161 4.340 -0.000 0.000 0.566 349 L C -1.440 175.541 176.870 0.186 0.000 1.217 349 L CA -0.475 54.508 54.840 0.237 0.000 0.823 349 L CB -0.696 41.531 42.059 0.280 0.000 1.381 349 L HN 0.593 nan 8.230 nan 0.000 0.825 350 P HA -0.101 nan 4.420 nan 0.000 0.225 350 P C 1.193 178.590 177.300 0.160 0.000 1.148 350 P CA 0.964 64.142 63.100 0.130 0.000 0.779 350 P CB 0.337 32.096 31.700 0.097 0.000 0.780 351 S N -0.611 115.203 115.700 0.191 0.000 2.593 351 S HA 0.075 4.545 4.470 -0.000 0.000 0.217 351 S C 0.805 175.562 174.600 0.263 0.000 0.966 351 S CA -0.408 57.950 58.200 0.264 0.000 0.914 351 S CB -0.664 62.682 63.200 0.243 0.000 0.776 351 S HN 0.063 nan 8.310 nan 0.000 0.523 352 L N 2.376 123.730 121.223 0.220 0.000 2.513 352 L HA 0.400 4.740 4.340 -0.000 0.000 0.272 352 L C 1.158 178.166 176.870 0.231 0.000 1.187 352 L CA 1.056 56.027 54.840 0.218 0.000 0.895 352 L CB -0.358 41.818 42.059 0.196 0.000 1.147 352 L HN 0.339 nan 8.230 nan 0.000 0.483 353 G N 2.498 111.443 108.800 0.242 0.000 2.155 353 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.257 353 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.257 353 G C 0.394 175.414 174.900 0.201 0.000 0.983 353 G CA 0.402 45.643 45.100 0.235 0.000 0.676 353 G HN 0.828 nan 8.290 nan 0.000 0.528 354 S N -1.796 114.030 115.700 0.211 0.000 2.648 354 S HA 0.659 5.129 4.470 -0.000 0.000 0.305 354 S C 0.315 175.045 174.600 0.218 0.000 1.094 354 S CA -0.004 58.256 58.200 0.101 0.000 0.983 354 S CB 0.967 64.162 63.200 -0.008 0.000 1.101 354 S HN 0.933 nan 8.310 nan 0.000 0.514 355 Y N -0.803 119.562 120.300 0.109 0.000 4.177 355 Y HA -0.207 4.343 4.550 -0.000 0.000 0.227 355 Y C 0.455 176.435 175.900 0.132 0.000 1.154 355 Y CA 0.259 58.422 58.100 0.105 0.000 1.887 355 Y CB -2.157 36.361 38.460 0.096 0.000 1.594 355 Y HN 0.607 nan 8.280 nan 0.000 0.668 356 I N -0.061 120.655 120.570 0.243 0.000 2.634 356 I HA 0.498 4.668 4.170 -0.000 0.000 0.284 356 I C 0.658 176.941 176.117 0.276 0.000 1.124 356 I CA 0.350 61.797 61.300 0.246 0.000 1.417 356 I CB 1.359 39.506 38.000 0.244 0.000 1.396 356 I HN 0.203 nan 8.210 nan 0.000 0.571 357 T N 1.941 116.617 114.554 0.204 0.000 2.863 357 T HA 0.667 5.017 4.350 -0.000 0.000 0.285 357 T C -0.617 174.099 174.700 0.026 0.000 1.009 357 T CA -0.671 61.532 62.100 0.172 0.000 0.989 357 T CB 2.000 70.917 68.868 0.083 0.000 1.004 357 T HN 0.809 nan 8.240 nan 0.000 0.455 358 E N 1.385 121.574 120.200 -0.019 0.000 2.314 358 E HA 0.345 4.694 4.350 -0.000 0.000 0.272 358 E C -0.977 175.710 176.600 0.145 0.000 0.884 358 E CA -0.579 55.756 56.400 -0.109 0.000 0.753 358 E CB 2.013 31.419 29.700 -0.489 0.000 1.213 358 E HN 0.717 nan 8.360 nan 0.000 0.432 359 Q N 1.171 121.059 119.800 0.146 0.000 2.352 359 Q HA 0.379 4.719 4.340 -0.000 0.000 0.260 359 Q C -0.386 175.810 176.000 0.326 0.000 0.976 359 Q CA -0.166 55.780 55.803 0.238 0.000 0.881 359 Q CB 1.049 29.942 28.738 0.259 0.000 1.235 359 Q HN 0.460 nan 8.270 nan 0.000 0.419 360 S N 1.610 117.435 115.700 0.209 0.000 2.564 360 S HA 0.305 4.775 4.470 -0.000 0.000 0.278 360 S C -0.676 173.967 174.600 0.071 0.000 1.333 360 S CA -0.460 57.731 58.200 -0.016 0.000 1.048 360 S CB 0.371 63.454 63.200 -0.195 0.000 0.900 360 S HN 0.367 nan 8.310 nan 0.000 0.505 361 L N 4.947 126.187 121.223 0.027 0.000 2.406 361 L HA 0.679 5.019 4.340 -0.000 0.000 0.272 361 L C -0.714 176.030 176.870 -0.211 0.000 0.980 361 L CA -0.656 54.106 54.840 -0.130 0.000 0.831 361 L CB 1.535 43.507 42.059 -0.145 0.000 1.253 361 L HN 0.472 nan 8.230 nan 0.000 0.406 362 V N 2.178 121.885 119.914 -0.345 0.000 2.769 362 V HA 0.760 4.880 4.120 -0.000 0.000 0.312 362 V C -0.928 175.038 176.094 -0.213 0.000 1.058 362 V CA -0.656 61.364 62.300 -0.465 0.000 0.952 362 V CB 1.678 33.036 31.823 -0.775 0.000 1.019 362 V HN 0.809 nan 8.190 nan 0.000 0.445 363 F N 4.315 124.060 119.950 -0.341 0.000 2.608 363 F HA 0.856 5.383 4.527 -0.000 0.000 0.309 363 F C -0.447 175.218 175.800 -0.225 0.000 1.103 363 F CA -0.201 57.672 58.000 -0.212 0.000 0.954 363 F CB 1.463 40.380 39.000 -0.139 0.000 1.267 363 F HN 1.210 nan 8.300 nan 0.000 0.444 364 C N 2.695 121.294 119.300 -1.169 0.000 3.320 364 C HA 0.806 5.266 4.460 -0.000 0.000 0.335 364 C C -1.672 172.724 174.990 -0.989 0.000 1.430 364 C CA -0.697 57.633 59.018 -1.146 0.000 1.271 364 C CB 1.649 28.985 27.740 -0.674 0.000 1.609 364 C HN 0.989 nan 8.230 nan 0.000 0.457 365 Q N 0.562 120.028 119.800 -0.557 0.000 2.387 365 Q HA 0.779 5.119 4.340 -0.000 0.000 0.273 365 Q C -0.448 175.565 176.000 0.023 0.000 1.089 365 Q CA -0.232 55.479 55.803 -0.154 0.000 0.824 365 Q CB 2.650 31.299 28.738 -0.149 0.000 1.367 365 Q HN 0.942 nan 8.270 nan 0.000 0.443 366 T N -2.589 112.055 114.554 0.151 0.000 2.924 366 T HA 0.708 5.058 4.350 -0.000 0.000 0.291 366 T C -0.596 174.154 174.700 0.084 0.000 1.045 366 T CA -0.732 61.430 62.100 0.102 0.000 1.015 366 T CB 1.225 70.165 68.868 0.121 0.000 1.103 366 T HN 0.261 nan 8.240 nan 0.000 0.496 367 V N 2.750 122.682 119.914 0.031 0.000 2.384 367 V HA 0.410 4.530 4.120 -0.000 0.000 0.287 367 V C 0.313 176.413 176.094 0.011 0.000 1.020 367 V CA -0.923 61.389 62.300 0.019 0.000 0.850 367 V CB 1.158 32.983 31.823 0.004 0.000 0.987 367 V HN 1.027 nan 8.190 nan 0.000 0.436 368 M N 4.747 124.361 119.600 0.023 0.000 2.248 368 M HA 0.096 4.576 4.480 -0.000 0.000 0.343 368 M C 0.863 177.165 176.300 0.004 0.000 1.243 368 M CA 0.727 56.042 55.300 0.025 0.000 1.025 368 M CB 0.628 33.242 32.600 0.023 0.000 1.759 368 M HN 0.929 nan 8.290 nan 0.000 0.452 369 S N 2.444 118.145 115.700 0.000 0.000 2.579 369 S HA 0.106 4.576 4.470 -0.000 0.000 0.275 369 S C 1.018 175.617 174.600 -0.002 0.000 1.345 369 S CA -0.196 57.996 58.200 -0.014 0.000 1.031 369 S CB 0.642 63.829 63.200 -0.021 0.000 0.892 369 S HN 0.801 nan 8.310 nan 0.000 0.529 370 T N 1.964 116.514 114.554 -0.007 0.000 2.699 370 T HA -0.156 4.194 4.350 -0.000 0.000 0.268 370 T C 1.635 176.340 174.700 0.008 0.000 1.036 370 T CA 2.011 64.112 62.100 0.001 0.000 1.147 370 T CB -0.527 68.338 68.868 -0.004 0.000 0.862 370 T HN 0.778 nan 8.240 nan 0.000 0.446 371 E N 0.498 120.699 120.200 0.003 0.000 2.085 371 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 371 E C 2.266 178.882 176.600 0.027 0.000 0.994 371 E CA 0.940 57.345 56.400 0.009 0.000 0.801 371 E CB -0.265 29.433 29.700 -0.003 0.000 0.743 371 E HN 0.428 nan 8.360 nan 0.000 0.453 372 L N 0.654 121.895 121.223 0.030 0.000 2.072 372 L HA -0.167 4.173 4.340 -0.000 0.000 0.205 372 L C 2.399 179.308 176.870 0.065 0.000 1.079 372 L CA 0.390 55.263 54.840 0.055 0.000 0.752 372 L CB -0.230 41.860 42.059 0.052 0.000 0.906 372 L HN 0.192 nan 8.230 nan 0.000 0.436 373 I N 0.041 120.636 120.570 0.041 0.000 2.179 373 I HA -0.292 3.878 4.170 -0.000 0.000 0.242 373 I C 2.143 178.290 176.117 0.050 0.000 1.088 373 I CA 1.551 62.872 61.300 0.034 0.000 1.357 373 I CB -1.141 36.869 38.000 0.016 0.000 1.051 373 I HN 0.280 nan 8.210 nan 0.000 0.409 374 D N 0.630 121.059 120.400 0.048 0.000 2.178 374 D HA -0.129 4.511 4.640 -0.000 0.000 0.201 374 D C 2.348 178.697 176.300 0.080 0.000 0.980 374 D CA 1.572 55.604 54.000 0.054 0.000 0.842 374 D CB -0.098 40.724 40.800 0.038 0.000 0.948 374 D HN 0.380 nan 8.370 nan 0.000 0.472 375 S N -0.093 115.665 115.700 0.097 0.000 2.447 375 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 375 S C 2.114 176.870 174.600 0.259 0.000 1.006 375 S CA 0.578 58.867 58.200 0.148 0.000 0.957 375 S CB -0.417 62.862 63.200 0.132 0.000 0.773 375 S HN 0.071 nan 8.310 nan 0.000 0.507 376 V N 2.845 122.885 119.914 0.209 0.000 2.490 376 V HA -0.141 3.979 4.120 -0.000 0.000 0.250 376 V C 2.216 178.452 176.094 0.236 0.000 1.061 376 V CA 2.078 64.527 62.300 0.248 0.000 1.064 376 V CB -0.779 31.097 31.823 0.088 0.000 0.670 376 V HN 0.825 nan 8.190 nan 0.000 0.461 377 K N 0.267 120.764 120.400 0.161 0.000 2.498 377 K HA 0.175 4.495 4.320 -0.000 0.000 0.207 377 K C 1.635 178.303 176.600 0.113 0.000 1.033 377 K CA 0.680 57.044 56.287 0.129 0.000 1.138 377 K CB 0.207 32.763 32.500 0.094 0.000 0.860 377 K HN 0.393 nan 8.250 nan 0.000 0.490 378 S N 0.990 116.772 115.700 0.137 0.000 2.402 378 S HA -0.191 4.279 4.470 -0.000 0.000 0.233 378 S C 0.976 175.593 174.600 0.028 0.000 1.030 378 S CA 1.477 59.716 58.200 0.065 0.000 1.003 378 S CB -0.275 62.939 63.200 0.023 0.000 0.813 378 S HN 0.346 nan 8.310 nan 0.000 0.477 379 D N 0.588 121.016 120.400 0.046 0.000 2.349 379 D HA 0.250 4.890 4.640 -0.000 0.000 0.214 379 D C 0.121 176.463 176.300 0.070 0.000 1.063 379 D CA 0.206 54.218 54.000 0.019 0.000 0.847 379 D CB 0.018 40.804 40.800 -0.024 0.000 0.933 379 D HN 0.376 nan 8.370 nan 0.000 0.513 380 M N 0.514 120.158 119.600 0.072 0.000 2.249 380 M HA 0.235 4.715 4.480 -0.000 0.000 0.351 380 M C 0.305 176.635 176.300 0.050 0.000 1.180 380 M CA 0.041 55.391 55.300 0.084 0.000 1.127 380 M CB 1.029 33.672 32.600 0.072 0.000 1.546 380 M HN -0.320 nan 8.290 nan 0.000 0.461 381 T N 3.914 118.490 114.554 0.037 0.000 2.794 381 T HA 0.726 5.076 4.350 -0.000 0.000 0.280 381 T C -0.186 174.495 174.700 -0.033 0.000 0.987 381 T CA -0.393 61.709 62.100 0.003 0.000 0.993 381 T CB 0.821 69.686 68.868 -0.005 0.000 0.939 381 T HN 0.387 nan 8.240 nan 0.000 0.449 382 I N 2.783 123.333 120.570 -0.034 0.000 2.433 382 I HA 0.473 4.643 4.170 -0.000 0.000 0.292 382 I C 0.306 176.394 176.117 -0.049 0.000 1.001 382 I CA -0.594 60.659 61.300 -0.079 0.000 1.119 382 I CB 1.664 39.657 38.000 -0.012 0.000 1.289 382 I HN 0.263 nan 8.210 nan 0.000 0.438 383 R N 3.858 124.301 120.500 -0.096 0.000 2.480 383 R HA 0.719 5.059 4.340 -0.000 0.000 0.306 383 R C 0.126 176.454 176.300 0.048 0.000 0.958 383 R CA -0.244 55.840 56.100 -0.027 0.000 0.861 383 R CB 1.888 32.161 30.300 -0.045 0.000 1.171 383 R HN 0.933 nan 8.270 nan 0.000 0.445 384 G N 1.543 110.401 108.800 0.097 0.000 2.632 384 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.224 384 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.224 384 G C -0.735 174.302 174.900 0.229 0.000 1.341 384 G CA -0.322 44.869 45.100 0.152 0.000 0.880 384 G HN 0.608 nan 8.290 nan 0.000 0.566 385 T N -0.377 114.287 114.554 0.183 0.000 2.863 385 T HA 0.687 5.037 4.350 -0.000 0.000 0.285 385 T C -2.880 171.700 174.700 -0.199 0.000 1.009 385 T CA -1.406 60.730 62.100 0.059 0.000 0.989 385 T CB 2.292 71.162 68.868 0.003 0.000 1.004 385 T HN 0.534 nan 8.240 nan 0.000 0.455 386 P HA 0.189 nan 4.420 nan 0.000 0.263 386 P C 1.258 178.273 177.300 -0.475 0.000 1.168 386 P CA 1.577 64.047 63.100 -1.050 0.000 0.759 386 P CB 0.081 31.414 31.700 -0.612 0.000 0.782 387 G N 1.435 110.004 108.800 -0.385 0.000 2.317 387 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.227 387 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.227 387 G C 0.240 175.101 174.900 -0.066 0.000 1.042 387 G CA 0.228 45.234 45.100 -0.156 0.000 0.623 387 G HN 0.713 nan 8.290 nan 0.000 0.509 388 E N 1.399 121.573 120.200 -0.044 0.000 2.312 388 E HA 0.557 4.907 4.350 -0.000 0.000 0.259 388 E C 1.498 178.130 176.600 0.053 0.000 1.122 388 E CA -0.450 55.956 56.400 0.010 0.000 0.922 388 E CB 1.205 30.914 29.700 0.015 0.000 1.109 388 E HN 0.306 nan 8.360 nan 0.000 0.442 389 L N 1.797 123.045 121.223 0.042 0.000 2.043 389 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 389 L C 2.144 179.051 176.870 0.062 0.000 1.075 389 L CA 2.886 57.752 54.840 0.043 0.000 0.752 389 L CB -0.758 41.318 42.059 0.028 0.000 0.891 389 L HN 0.904 nan 8.230 nan 0.000 0.432 390 T N -4.293 110.305 114.554 0.072 0.000 3.176 390 T HA 0.058 4.408 4.350 -0.000 0.000 0.263 390 T C 0.355 175.114 174.700 0.098 0.000 1.021 390 T CA -0.547 61.591 62.100 0.063 0.000 0.905 390 T CB -0.867 68.023 68.868 0.038 0.000 1.057 390 T HN 0.125 nan 8.240 nan 0.000 0.558 391 Y N 2.752 123.052 120.300 -0.001 0.000 2.804 391 Y HA 0.357 4.907 4.550 -0.000 0.000 0.338 391 Y C 0.203 176.104 175.900 0.001 0.000 1.252 391 Y CA -0.285 57.815 58.100 0.001 0.000 1.576 391 Y CB -0.073 38.385 38.460 -0.002 0.000 1.223 391 Y HN 0.278 nan 8.280 nan 0.000 0.536 392 S N 5.257 120.721 115.700 -0.393 0.000 2.561 392 S HA 0.707 5.177 4.470 -0.000 0.000 0.303 392 S C -1.595 172.707 174.600 -0.498 0.000 1.110 392 S CA -0.736 57.243 58.200 -0.368 0.000 1.034 392 S CB 0.714 63.816 63.200 -0.162 0.000 1.010 392 S HN 0.436 nan 8.310 nan 0.000 0.482 393 V N 4.977 124.654 119.914 -0.394 0.000 2.378 393 V HA 0.681 4.801 4.120 -0.000 0.000 0.288 393 V C 0.159 176.215 176.094 -0.063 0.000 1.016 393 V CA -0.511 61.656 62.300 -0.221 0.000 0.840 393 V CB 1.160 32.879 31.823 -0.173 0.000 0.994 393 V HN 1.007 nan 8.190 nan 0.000 0.431 394 T N 1.763 116.309 114.554 -0.013 0.000 2.883 394 T HA 0.876 5.226 4.350 -0.000 0.000 0.296 394 T C -1.020 173.761 174.700 0.135 0.000 1.117 394 T CA -0.772 61.344 62.100 0.027 0.000 1.006 394 T CB 2.368 71.202 68.868 -0.056 0.000 1.191 394 T HN 0.760 nan 8.240 nan 0.000 0.508 395 Y N -1.943 118.347 120.300 -0.018 0.000 2.644 395 Y HA 0.761 5.311 4.550 -0.000 0.000 0.338 395 Y C -0.796 175.094 175.900 -0.016 0.000 1.119 395 Y CA -1.383 56.709 58.100 -0.015 0.000 1.060 395 Y CB 0.669 39.127 38.460 -0.003 0.000 1.294 395 Y HN 0.639 nan 8.280 nan 0.000 0.472 396 T N 4.157 118.691 114.554 -0.033 0.000 2.747 396 T HA 0.364 4.714 4.350 -0.000 0.000 0.301 396 T C -2.731 171.973 174.700 0.006 0.000 0.952 396 T CA -1.197 60.845 62.100 -0.096 0.000 0.983 396 T CB 0.403 69.257 68.868 -0.023 0.000 0.930 396 T HN 0.348 nan 8.240 nan 0.000 0.494 397 P HA 0.143 nan 4.420 nan 0.000 0.264 397 P C 1.108 178.452 177.300 0.072 0.000 1.183 397 P CA 0.684 63.831 63.100 0.080 0.000 0.763 397 P CB 0.264 31.954 31.700 -0.018 0.000 0.807 398 G N 2.150 111.010 108.800 0.100 0.000 2.233 398 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.270 398 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.270 398 G C 0.499 175.413 174.900 0.022 0.000 1.011 398 G CA 0.107 45.235 45.100 0.048 0.000 0.762 398 G HN 0.860 nan 8.290 nan 0.000 0.511 399 A N 0.225 123.061 122.820 0.027 0.000 2.511 399 A HA 0.633 4.953 4.320 -0.000 0.000 0.242 399 A C 1.817 179.389 177.584 -0.019 0.000 1.069 399 A CA 1.184 53.223 52.037 0.002 0.000 0.763 399 A CB 0.287 19.291 19.000 0.007 0.000 1.001 399 A HN 1.758 nan 8.150 nan 0.000 0.498 400 S N 1.685 117.370 115.700 -0.024 0.000 2.400 400 S HA -0.189 4.281 4.470 -0.000 0.000 0.232 400 S C 1.493 176.060 174.600 -0.054 0.000 1.025 400 S CA 1.926 60.105 58.200 -0.036 0.000 0.993 400 S CB -0.971 62.212 63.200 -0.029 0.000 0.808 400 S HN 1.257 nan 8.310 nan 0.000 0.478 401 T N -0.928 113.595 114.554 -0.053 0.000 3.148 401 T HA 0.193 4.543 4.350 -0.000 0.000 0.253 401 T C 0.441 175.081 174.700 -0.100 0.000 1.134 401 T CA -0.346 61.712 62.100 -0.069 0.000 1.051 401 T CB -0.647 68.189 68.868 -0.052 0.000 0.959 401 T HN 0.218 nan 8.240 nan 0.000 0.525 402 N N 2.484 121.123 118.700 -0.101 0.000 2.454 402 N HA 0.146 4.886 4.740 -0.000 0.000 0.260 402 N C 0.992 176.337 175.510 -0.275 0.000 1.218 402 N CA -0.206 52.751 53.050 -0.156 0.000 0.904 402 N CB 0.956 39.376 38.487 -0.111 0.000 1.065 402 N HN 0.141 nan 8.380 nan 0.000 0.462 403 K N 1.268 121.400 120.400 -0.446 0.000 2.296 403 K HA 0.020 4.340 4.320 -0.000 0.000 0.200 403 K C 0.063 176.088 176.600 -0.958 0.000 1.048 403 K CA 0.955 56.822 56.287 -0.699 0.000 0.966 403 K CB 0.037 32.011 32.500 -0.877 0.000 0.754 403 K HN 0.573 nan 8.250 nan 0.000 0.466 404 H N -0.098 118.638 119.070 -0.556 0.000 2.679 404 H HA 0.335 4.891 4.556 -0.000 0.000 0.367 404 H C -2.322 172.662 175.328 -0.575 0.000 1.162 404 H CA -2.565 52.983 56.048 -0.834 0.000 1.181 404 H CB 1.426 30.261 29.762 -1.545 0.000 1.693 404 H HN -0.153 nan 8.280 nan 0.000 0.538 405 P HA 0.021 nan 4.420 nan 0.000 0.273 405 P C 0.308 177.364 177.300 -0.407 0.000 1.250 405 P CA -0.245 62.623 63.100 -0.386 0.000 0.793 405 P CB 1.291 32.703 31.700 -0.480 0.000 1.011 406 D N -0.004 120.293 120.400 -0.171 0.000 2.144 406 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 406 D C 1.927 178.211 176.300 -0.028 0.000 0.984 406 D CA 1.234 55.212 54.000 -0.037 0.000 0.834 406 D CB -0.529 40.372 40.800 0.169 0.000 0.955 406 D HN 0.607 nan 8.370 nan 0.000 0.465 407 W N 0.276 121.643 121.300 0.112 0.000 2.374 407 W HA -0.143 4.517 4.660 -0.000 0.000 0.288 407 W C 1.918 178.509 176.519 0.119 0.000 1.218 407 W CA 0.153 57.562 57.345 0.105 0.000 1.245 407 W CB -1.324 28.193 29.460 0.095 0.000 1.126 407 W HN 0.061 nan 8.180 nan 0.000 0.545 408 W N 3.449 124.264 121.300 -0.809 0.000 2.413 408 W HA -0.150 4.510 4.660 -0.000 0.000 0.315 408 W C 1.924 178.182 176.519 -0.435 0.000 1.186 408 W CA 1.645 58.535 57.345 -0.758 0.000 1.326 408 W CB -1.060 27.702 29.460 -1.165 0.000 1.153 408 W HN -0.138 nan 8.180 nan 0.000 0.489 409 N N 1.058 119.684 118.700 -0.123 0.000 2.149 409 N HA -0.220 4.520 4.740 -0.000 0.000 0.188 409 N C 1.506 176.784 175.510 -0.385 0.000 1.019 409 N CA 2.057 54.843 53.050 -0.440 0.000 0.857 409 N CB -0.718 37.054 38.487 -1.191 0.000 0.997 409 N HN 0.242 nan 8.380 nan 0.000 0.426 410 E N 1.366 121.457 120.200 -0.182 0.000 2.077 410 E HA -0.090 4.260 4.350 -0.000 0.000 0.193 410 E C 1.614 178.272 176.600 0.097 0.000 0.989 410 E CA 1.373 57.843 56.400 0.116 0.000 0.800 410 E CB 0.040 29.862 29.700 0.204 0.000 0.746 410 E HN 0.283 nan 8.360 nan 0.000 0.452 411 K N -0.579 119.861 120.400 0.066 0.000 2.057 411 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 411 K C 2.111 178.722 176.600 0.018 0.000 1.050 411 K CA 1.285 57.602 56.287 0.050 0.000 0.935 411 K CB -0.067 32.453 32.500 0.035 0.000 0.715 411 K HN 0.017 nan 8.250 nan 0.000 0.439 412 V N 2.037 121.930 119.914 -0.035 0.000 2.307 412 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 412 V C 2.377 178.515 176.094 0.075 0.000 1.045 412 V CA 1.665 63.958 62.300 -0.011 0.000 1.024 412 V CB -0.434 31.375 31.823 -0.024 0.000 0.651 412 V HN 0.342 nan 8.190 nan 0.000 0.449 413 K N 0.322 120.767 120.400 0.076 0.000 2.032 413 K HA -0.259 4.061 4.320 -0.000 0.000 0.209 413 K C 2.024 178.682 176.600 0.098 0.000 1.048 413 K CA 2.122 58.477 56.287 0.112 0.000 0.927 413 K CB -0.238 32.384 32.500 0.203 0.000 0.712 413 K HN 0.431 nan 8.250 nan 0.000 0.441 414 N N 0.242 119.005 118.700 0.105 0.000 2.142 414 N HA -0.169 4.571 4.740 -0.000 0.000 0.186 414 N C 1.777 177.342 175.510 0.092 0.000 1.023 414 N CA 1.371 54.475 53.050 0.089 0.000 0.852 414 N CB -0.687 37.858 38.487 0.098 0.000 0.998 414 N HN 0.421 nan 8.380 nan 0.000 0.424 415 H N 0.813 119.908 119.070 0.043 0.000 2.290 415 H HA 0.036 4.592 4.556 -0.000 0.000 0.298 415 H C 2.051 177.419 175.328 0.068 0.000 1.087 415 H CA 1.954 58.036 56.048 0.058 0.000 1.291 415 H CB -0.141 29.575 29.762 -0.077 0.000 1.369 415 H HN 0.107 nan 8.280 nan 0.000 0.492 416 M N -0.882 118.720 119.600 0.003 0.000 2.229 416 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 416 M C 1.730 178.076 176.300 0.077 0.000 1.063 416 M CA 1.079 56.392 55.300 0.021 0.000 1.114 416 M CB 0.076 32.750 32.600 0.124 0.000 1.387 416 M HN 0.364 nan 8.290 nan 0.000 0.420 417 M N -0.519 119.107 119.600 0.043 0.000 2.287 417 M HA -0.051 4.429 4.480 -0.000 0.000 0.266 417 M C 1.923 178.211 176.300 -0.021 0.000 1.079 417 M CA 1.303 56.638 55.300 0.059 0.000 1.146 417 M CB -0.770 31.846 32.600 0.026 0.000 1.374 417 M HN 0.208 nan 8.290 nan 0.000 0.435 418 Q N -0.552 119.168 119.800 -0.133 0.000 2.398 418 Q HA 0.034 4.374 4.340 -0.000 0.000 0.204 418 Q C 0.100 175.759 176.000 -0.568 0.000 0.932 418 Q CA 0.818 56.429 55.803 -0.320 0.000 0.916 418 Q CB 0.248 28.762 28.738 -0.374 0.000 1.024 418 Q HN 0.564 nan 8.270 nan 0.000 0.504 419 H N 0.509 119.494 119.070 -0.141 0.000 2.380 419 H HA 0.266 4.822 4.556 -0.000 0.000 0.231 419 H C 0.334 175.572 175.328 -0.150 0.000 1.415 419 H CA -0.109 55.857 56.048 -0.137 0.000 1.433 419 H CB 0.528 30.151 29.762 -0.232 0.000 1.544 419 H HN 0.212 nan 8.280 nan 0.000 0.503 420 Q N 0.660 120.445 119.800 -0.025 0.000 2.436 420 Q HA -0.099 4.241 4.340 -0.000 0.000 0.209 420 Q C 1.889 177.839 176.000 -0.084 0.000 0.965 420 Q CA 0.718 56.471 55.803 -0.084 0.000 0.910 420 Q CB 0.479 29.130 28.738 -0.146 0.000 0.980 420 Q HN 0.514 nan 8.270 nan 0.000 0.491 421 E N 1.274 121.469 120.200 -0.007 0.000 2.371 421 E HA -0.108 4.242 4.350 -0.000 0.000 0.194 421 E C -0.350 176.279 176.600 0.049 0.000 1.012 421 E CA 0.484 56.893 56.400 0.015 0.000 0.860 421 E CB 0.040 29.768 29.700 0.046 0.000 0.811 421 E HN 0.156 nan 8.360 nan 0.000 0.502 422 D N 2.075 122.518 120.400 0.073 0.000 2.264 422 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 422 D C -1.532 174.815 176.300 0.078 0.000 1.113 422 D CA -1.962 52.107 54.000 0.114 0.000 0.871 422 D CB 1.539 42.429 40.800 0.151 0.000 1.167 422 D HN -0.127 nan 8.370 nan 0.000 0.447 423 P HA 0.092 nan 4.420 nan 0.000 0.249 423 P C -0.232 177.108 177.300 0.066 0.000 1.229 423 P CA 0.226 63.362 63.100 0.060 0.000 0.788 423 P CB 0.372 32.100 31.700 0.046 0.000 1.072 424 L N 1.633 122.907 121.223 0.085 0.000 2.334 424 L HA 0.379 4.719 4.340 -0.000 0.000 0.273 424 L C -1.441 175.465 176.870 0.059 0.000 1.013 424 L CA -2.291 52.573 54.840 0.040 0.000 0.816 424 L CB 2.633 44.683 42.059 -0.014 0.000 1.278 424 L HN -0.304 nan 8.230 nan 0.000 0.431 425 P HA 0.084 nan 4.420 nan 0.000 0.251 425 P C 0.233 177.399 177.300 -0.224 0.000 1.223 425 P CA 0.501 63.605 63.100 0.006 0.000 0.796 425 P CB 0.413 32.122 31.700 0.016 0.000 1.068 426 I N 2.304 122.648 120.570 -0.377 0.000 2.416 426 I HA 0.194 4.364 4.170 -0.000 0.000 0.288 426 I C -2.127 173.494 176.117 -0.827 0.000 1.051 426 I CA -2.682 58.338 61.300 -0.467 0.000 1.375 426 I CB 0.529 38.347 38.000 -0.303 0.000 1.407 426 I HN -0.246 nan 8.210 nan 0.000 0.516 427 P HA -0.022 nan 4.420 nan 0.000 0.266 427 P C 0.319 177.395 177.300 -0.374 0.000 1.195 427 P CA 0.062 62.816 63.100 -0.576 0.000 0.768 427 P CB 0.303 31.887 31.700 -0.194 0.000 0.838 428 F N 1.138 120.977 119.950 -0.185 0.000 2.154 428 F HA -0.158 4.369 4.527 -0.000 0.000 0.301 428 F C 1.743 177.507 175.800 -0.060 0.000 1.087 428 F CA 1.607 59.543 58.000 -0.107 0.000 1.274 428 F CB -0.940 38.009 39.000 -0.084 0.000 1.009 428 F HN 0.421 nan 8.300 nan 0.000 0.485 429 E N -0.321 119.971 120.200 0.154 0.000 2.419 429 E HA -0.009 4.341 4.350 -0.000 0.000 0.190 429 E C -0.202 176.424 176.600 0.044 0.000 1.040 429 E CA -0.229 56.228 56.400 0.096 0.000 0.900 429 E CB -0.240 29.520 29.700 0.100 0.000 1.054 429 E HN 0.193 nan 8.360 nan 0.000 0.462 430 D N 2.536 122.938 120.400 0.003 0.000 2.450 430 D HA 0.019 4.659 4.640 -0.000 0.000 0.247 430 D C -2.282 174.036 176.300 0.030 0.000 1.162 430 D CA -1.480 52.508 54.000 -0.020 0.000 0.879 430 D CB 0.780 41.526 40.800 -0.091 0.000 1.163 430 D HN -0.121 nan 8.370 nan 0.000 0.472 431 P HA 0.064 nan 4.420 nan 0.000 0.271 431 P C -0.355 177.057 177.300 0.186 0.000 1.233 431 P CA -0.341 62.857 63.100 0.163 0.000 0.789 431 P CB 0.354 32.168 31.700 0.190 0.000 0.951 432 E N 1.751 122.073 120.200 0.204 0.000 2.392 432 E HA 0.206 4.556 4.350 -0.000 0.000 0.256 432 E C -2.480 174.143 176.600 0.038 0.000 1.145 432 E CA -2.019 54.425 56.400 0.073 0.000 0.929 432 E CB -0.945 28.759 29.700 0.007 0.000 0.998 432 E HN 0.219 nan 8.360 nan 0.000 0.442 433 P HA 0.067 nan 4.420 nan 0.000 0.271 433 P C -0.489 176.812 177.300 0.001 0.000 1.218 433 P CA 0.047 63.205 63.100 0.097 0.000 0.780 433 P CB 0.393 32.100 31.700 0.011 0.000 0.901 434 Q N 1.189 121.096 119.800 0.178 0.000 3.394 434 Q HA 0.301 4.641 4.340 -0.000 0.000 0.285 434 Q C -0.995 175.098 176.000 0.154 0.000 0.866 434 Q CA -0.331 55.454 55.803 -0.029 0.000 0.844 434 Q CB 1.149 29.627 28.738 -0.433 0.000 1.472 434 Q HN 0.189 nan 8.270 nan 0.000 0.401 435 V N 0.542 120.499 119.914 0.071 0.000 2.547 435 V HA 0.717 4.837 4.120 -0.000 0.000 0.299 435 V C 0.183 176.283 176.094 0.011 0.000 1.040 435 V CA -0.404 61.933 62.300 0.062 0.000 0.913 435 V CB 2.043 33.837 31.823 -0.048 0.000 0.992 435 V HN 0.413 nan 8.190 nan 0.000 0.449 436 T N 1.753 116.346 114.554 0.064 0.000 2.916 436 T HA 0.440 4.790 4.350 -0.000 0.000 0.305 436 T C -0.858 173.782 174.700 -0.100 0.000 1.119 436 T CA -0.312 61.767 62.100 -0.035 0.000 1.008 436 T CB 1.774 70.610 68.868 -0.052 0.000 1.129 436 T HN 0.814 nan 8.240 nan 0.000 0.480 437 T N 5.033 119.367 114.554 -0.366 0.000 2.756 437 T HA 0.587 4.937 4.350 -0.000 0.000 0.290 437 T C 0.049 174.594 174.700 -0.259 0.000 0.985 437 T CA -0.583 61.135 62.100 -0.637 0.000 0.955 437 T CB -0.274 67.753 68.868 -1.401 0.000 0.930 437 T HN 0.508 nan 8.240 nan 0.000 0.451 438 L N 4.566 125.718 121.223 -0.119 0.000 2.467 438 L HA 0.360 4.700 4.340 -0.000 0.000 0.270 438 L C 0.766 177.642 176.870 0.010 0.000 1.205 438 L CA -0.870 53.986 54.840 0.025 0.000 0.828 438 L CB 0.168 42.239 42.059 0.020 0.000 1.101 438 L HN 0.614 nan 8.230 nan 0.000 0.479 439 F N 2.994 122.870 119.950 -0.123 0.000 2.604 439 F HA -0.082 4.445 4.527 -0.000 0.000 0.390 439 F C 0.258 175.810 175.800 -0.414 0.000 1.053 439 F CA 0.607 58.444 58.000 -0.272 0.000 1.256 439 F CB 0.102 38.990 39.000 -0.187 0.000 0.996 439 F HN 0.396 nan 8.300 nan 0.000 0.564 440 Q N 6.675 125.984 119.800 -0.818 0.000 2.456 440 Q HA 0.257 4.597 4.340 -0.000 0.000 0.284 440 Q C -1.992 173.537 176.000 -0.785 0.000 1.061 440 Q CA -1.789 53.618 55.803 -0.659 0.000 0.799 440 Q CB 1.395 29.648 28.738 -0.808 0.000 1.445 440 Q HN 0.235 nan 8.270 nan 0.000 0.411 441 P HA -0.214 nan 4.420 nan 0.000 0.217 441 P C 1.164 178.235 177.300 -0.382 0.000 1.151 441 P CA 2.107 65.019 63.100 -0.313 0.000 0.849 441 P CB 0.203 31.818 31.700 -0.142 0.000 0.787 442 S N -1.717 113.756 115.700 -0.378 0.000 2.527 442 S HA -0.092 4.378 4.470 -0.000 0.000 0.222 442 S C 0.542 174.938 174.600 -0.339 0.000 0.985 442 S CA 0.086 58.137 58.200 -0.247 0.000 0.921 442 S CB -1.240 61.922 63.200 -0.064 0.000 0.772 442 S HN 0.434 nan 8.310 nan 0.000 0.529 443 H N -1.009 117.615 119.070 -0.744 0.000 2.538 443 H HA 0.490 5.046 4.556 -0.000 0.000 0.239 443 H C -3.241 170.925 175.328 -1.936 0.000 1.401 443 H CA -1.953 53.249 56.048 -1.409 0.000 1.499 443 H CB 0.550 29.756 29.762 -0.926 0.000 1.624 443 H HN 0.065 nan 8.280 nan 0.000 0.524 444 P HA 0.082 nan 4.420 nan 0.000 0.220 444 P C -1.266 175.465 177.300 -0.949 0.000 1.806 444 P CA 0.162 62.157 63.100 -1.840 0.000 0.976 444 P CB -1.042 30.105 31.700 -0.922 0.000 1.952 445 W N -0.182 120.848 121.300 -0.449 0.000 3.167 445 W HA 0.526 5.186 4.660 -0.000 0.000 0.324 445 W C -0.769 175.842 176.519 0.152 0.000 1.230 445 W CA -1.271 56.108 57.345 0.057 0.000 1.184 445 W CB 0.091 29.592 29.460 0.068 0.000 1.414 445 W HN 0.006 nan 8.180 nan 0.000 0.551 446 H N 1.008 120.325 119.070 0.412 0.000 2.505 446 H HA 0.719 5.274 4.556 -0.000 0.000 0.355 446 H C -0.191 175.264 175.328 0.211 0.000 1.179 446 H CA 0.544 56.726 56.048 0.224 0.000 1.343 446 H CB 1.518 31.347 29.762 0.111 0.000 1.501 446 H HN 0.587 nan 8.280 nan 0.000 0.569 447 T N 1.761 115.926 114.554 -0.649 0.000 2.912 447 T HA 0.489 4.839 4.350 -0.000 0.000 0.299 447 T C -0.919 173.438 174.700 -0.571 0.000 1.052 447 T CA -1.111 60.651 62.100 -0.562 0.000 0.996 447 T CB 1.588 70.020 68.868 -0.727 0.000 1.070 447 T HN 0.669 nan 8.240 nan 0.000 0.465 448 Q N 1.917 121.596 119.800 -0.202 0.000 2.274 448 Q HA 0.571 4.911 4.340 -0.000 0.000 0.268 448 Q C -1.206 174.689 176.000 -0.175 0.000 1.015 448 Q CA -0.624 54.985 55.803 -0.323 0.000 0.775 448 Q CB 2.578 30.992 28.738 -0.539 0.000 1.256 448 Q HN 0.727 nan 8.270 nan 0.000 0.442 449 I N 3.702 124.132 120.570 -0.234 0.000 2.537 449 I HA 0.363 4.533 4.170 -0.000 0.000 0.276 449 I C -0.408 175.604 176.117 -0.175 0.000 1.063 449 I CA -0.283 60.766 61.300 -0.419 0.000 1.144 449 I CB 0.384 38.002 38.000 -0.637 0.000 1.252 449 I HN 0.765 nan 8.210 nan 0.000 0.480 450 H N 3.652 122.537 119.070 -0.309 0.000 3.150 450 H HA 0.669 5.225 4.556 -0.000 0.000 0.270 450 H C -1.192 174.058 175.328 -0.130 0.000 1.573 450 H CA -1.322 54.614 56.048 -0.187 0.000 1.195 450 H CB 1.425 31.098 29.762 -0.148 0.000 1.874 450 H HN 0.094 nan 8.280 nan 0.000 0.691 451 R N 1.358 121.656 120.500 -0.336 0.000 2.533 451 R HA 0.268 4.608 4.340 -0.000 0.000 0.288 451 R C -1.660 174.411 176.300 -0.382 0.000 1.039 451 R CA -0.620 55.283 56.100 -0.328 0.000 0.909 451 R CB 1.757 31.994 30.300 -0.105 0.000 1.195 451 R HN 0.883 nan 8.270 nan 0.000 0.438 452 D N 0.699 120.882 120.400 -0.362 0.000 2.497 452 D HA 0.492 5.132 4.640 -0.000 0.000 0.243 452 D C -0.260 176.031 176.300 -0.014 0.000 1.039 452 D CA -0.884 53.008 54.000 -0.181 0.000 1.052 452 D CB 0.551 41.252 40.800 -0.166 0.000 1.344 452 D HN 0.401 nan 8.370 nan 0.000 0.553 453 A N -0.331 122.502 122.820 0.022 0.000 2.587 453 A HA 0.342 4.662 4.320 -0.000 0.000 0.235 453 A C -0.735 176.927 177.584 0.130 0.000 1.044 453 A CA 0.355 52.455 52.037 0.104 0.000 0.754 453 A CB -0.711 18.373 19.000 0.140 0.000 0.968 453 A HN 0.481 nan 8.150 nan 0.000 0.509 454 F N 1.487 121.390 119.950 -0.078 0.000 2.628 454 F HA 0.469 4.995 4.527 -0.000 0.000 0.309 454 F C 0.117 175.759 175.800 -0.264 0.000 1.108 454 F CA -0.327 57.512 58.000 -0.267 0.000 0.971 454 F CB 1.949 40.642 39.000 -0.512 0.000 1.279 454 F HN 0.554 nan 8.300 nan 0.000 0.441 455 S N 4.194 119.360 115.700 -0.891 0.000 2.411 455 S HA 0.391 4.861 4.470 -0.000 0.000 0.304 455 S C -1.061 173.200 174.600 -0.564 0.000 1.098 455 S CA -0.412 57.465 58.200 -0.538 0.000 1.068 455 S CB -0.506 62.436 63.200 -0.430 0.000 1.032 455 S HN 0.455 nan 8.310 nan 0.000 0.511 456 Y N 2.241 122.547 120.300 0.010 0.000 2.335 456 Y HA 0.485 5.035 4.550 -0.000 0.000 0.331 456 Y C 1.469 177.410 175.900 0.068 0.000 1.094 456 Y CA 0.074 58.283 58.100 0.181 0.000 1.253 456 Y CB 0.507 39.105 38.460 0.230 0.000 1.203 456 Y HN 0.836 nan 8.280 nan 0.000 0.508 457 G N 1.110 110.037 108.800 0.211 0.000 2.699 457 G HA2 0.270 4.230 3.960 -0.000 0.000 0.246 457 G HA3 0.270 4.230 3.960 -0.000 0.000 0.246 457 G C 0.892 175.874 174.900 0.137 0.000 1.219 457 G CA -0.048 45.129 45.100 0.128 0.000 0.866 457 G HN 0.894 nan 8.290 nan 0.000 0.572 458 A N 0.003 122.875 122.820 0.086 0.000 1.933 458 A HA -0.018 4.302 4.320 -0.000 0.000 0.218 458 A C 2.501 180.126 177.584 0.069 0.000 1.175 458 A CA 1.956 54.035 52.037 0.069 0.000 0.628 458 A CB -0.463 18.564 19.000 0.045 0.000 0.814 458 A HN 0.540 nan 8.150 nan 0.000 0.444 459 V N -0.182 119.776 119.914 0.073 0.000 2.379 459 V HA -0.272 3.847 4.120 -0.000 0.000 0.245 459 V C 2.548 178.691 176.094 0.081 0.000 1.044 459 V CA 2.052 64.391 62.300 0.066 0.000 1.036 459 V CB -0.916 30.944 31.823 0.061 0.000 0.664 459 V HN 0.636 nan 8.190 nan 0.000 0.453 460 Q N -0.237 119.641 119.800 0.131 0.000 2.170 460 Q HA -0.245 4.095 4.340 -0.000 0.000 0.203 460 Q C 2.189 178.232 176.000 0.072 0.000 0.976 460 Q CA 1.341 57.241 55.803 0.161 0.000 0.858 460 Q CB -0.226 28.723 28.738 0.351 0.000 0.907 460 Q HN 0.689 nan 8.270 nan 0.000 0.433 461 Q N -0.184 119.664 119.800 0.079 0.000 2.508 461 Q HA -0.080 4.260 4.340 -0.000 0.000 0.214 461 Q C 1.859 177.854 176.000 -0.008 0.000 0.979 461 Q CA 0.632 56.440 55.803 0.010 0.000 0.911 461 Q CB -0.012 28.756 28.738 0.049 0.000 0.969 461 Q HN 0.142 nan 8.270 nan 0.000 0.504 462 S N -0.094 115.612 115.700 0.010 0.000 2.481 462 S HA -0.003 4.467 4.470 -0.000 0.000 0.231 462 S C 0.748 175.343 174.600 -0.009 0.000 0.996 462 S CA 0.129 58.332 58.200 0.005 0.000 0.942 462 S CB 0.261 63.472 63.200 0.018 0.000 0.768 462 S HN 0.155 nan 8.310 nan 0.000 0.520 463 I N 2.833 123.387 120.570 -0.027 0.000 2.342 463 I HA 0.237 4.407 4.170 -0.000 0.000 0.291 463 I C 0.388 176.464 176.117 -0.068 0.000 1.010 463 I CA -0.814 60.463 61.300 -0.038 0.000 1.308 463 I CB 0.745 38.725 38.000 -0.034 0.000 1.400 463 I HN 0.170 nan 8.210 nan 0.000 0.488 464 D N 3.934 124.311 120.400 -0.038 0.000 2.493 464 D HA -0.094 4.546 4.640 -0.000 0.000 0.240 464 D C 1.151 177.413 176.300 -0.064 0.000 1.142 464 D CA 0.349 54.330 54.000 -0.032 0.000 0.872 464 D CB 1.139 41.944 40.800 0.008 0.000 1.173 464 D HN 0.606 nan 8.370 nan 0.000 0.467 465 S N 3.978 119.628 115.700 -0.083 0.000 2.400 465 S HA -0.182 4.288 4.470 -0.000 0.000 0.232 465 S C 1.743 176.312 174.600 -0.052 0.000 1.025 465 S CA 1.072 59.206 58.200 -0.111 0.000 0.993 465 S CB 0.057 63.200 63.200 -0.095 0.000 0.808 465 S HN 0.528 nan 8.310 nan 0.000 0.478 466 R N 0.248 120.735 120.500 -0.022 0.000 2.193 466 R HA 0.058 4.398 4.340 -0.000 0.000 0.229 466 R C 1.915 178.199 176.300 -0.027 0.000 1.110 466 R CA 1.149 57.234 56.100 -0.025 0.000 0.988 466 R CB -0.330 29.947 30.300 -0.038 0.000 0.871 466 R HN 0.442 nan 8.270 nan 0.000 0.458 467 L N 0.279 121.487 121.223 -0.024 0.000 2.418 467 L HA 0.110 4.450 4.340 -0.000 0.000 0.218 467 L C 0.735 177.607 176.870 0.004 0.000 1.125 467 L CA 0.244 55.077 54.840 -0.011 0.000 0.835 467 L CB 0.078 42.131 42.059 -0.010 0.000 0.953 467 L HN 0.065 nan 8.230 nan 0.000 0.454 468 I N 0.164 120.730 120.570 -0.006 0.000 2.353 468 I HA 0.246 4.416 4.170 -0.000 0.000 0.293 468 I C -0.602 175.535 176.117 0.033 0.000 0.992 468 I CA -0.393 60.919 61.300 0.019 0.000 1.268 468 I CB 1.802 39.796 38.000 -0.009 0.000 1.387 468 I HN -0.294 nan 8.210 nan 0.000 0.478 469 V N 4.826 124.784 119.914 0.073 0.000 2.656 469 V HA 0.337 4.457 4.120 -0.000 0.000 0.307 469 V C -0.814 175.300 176.094 0.034 0.000 1.051 469 V CA -0.868 61.446 62.300 0.025 0.000 0.893 469 V CB 2.143 33.985 31.823 0.031 0.000 0.999 469 V HN 0.570 nan 8.190 nan 0.000 0.426 470 D N 2.502 122.842 120.400 -0.100 0.000 2.210 470 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 470 D C -1.028 175.184 176.300 -0.147 0.000 1.062 470 D CA 0.114 54.088 54.000 -0.043 0.000 0.891 470 D CB 1.312 42.082 40.800 -0.049 0.000 1.186 470 D HN 0.444 nan 8.370 nan 0.000 0.432 471 W N 1.537 122.819 121.300 -0.031 0.000 2.538 471 W HA 0.447 5.107 4.660 -0.000 0.000 0.322 471 W C 0.209 176.766 176.519 0.063 0.000 1.028 471 W CA -0.859 56.499 57.345 0.022 0.000 1.228 471 W CB 1.233 30.579 29.460 -0.190 0.000 1.356 471 W HN -0.066 nan 8.180 nan 0.000 0.452 472 R N 3.063 123.799 120.500 0.395 0.000 2.473 472 R HA 0.479 4.819 4.340 -0.000 0.000 0.303 472 R C -1.484 175.038 176.300 0.370 0.000 1.002 472 R CA -0.815 55.423 56.100 0.230 0.000 0.884 472 R CB 1.448 31.865 30.300 0.195 0.000 1.173 472 R HN 0.161 nan 8.270 nan 0.000 0.464 473 F N 3.154 123.000 119.950 -0.173 0.000 2.436 473 F HA 0.487 5.014 4.527 -0.000 0.000 0.340 473 F C -0.209 175.498 175.800 -0.156 0.000 1.113 473 F CA -1.567 56.404 58.000 -0.048 0.000 1.022 473 F CB 0.959 39.883 39.000 -0.126 0.000 1.128 473 F HN 0.288 nan 8.300 nan 0.000 0.466 474 F N 1.254 121.377 119.950 0.288 0.000 2.449 474 F HA 0.641 5.168 4.527 -0.000 0.000 0.342 474 F C 0.683 176.673 175.800 0.317 0.000 1.127 474 F CA -1.151 57.013 58.000 0.273 0.000 0.975 474 F CB 1.416 40.604 39.000 0.313 0.000 1.146 474 F HN 0.520 nan 8.300 nan 0.000 0.444 475 G N 2.244 111.277 108.800 0.387 0.000 2.451 475 G HA2 0.595 4.555 3.960 -0.000 0.000 0.303 475 G HA3 0.595 4.555 3.960 -0.000 0.000 0.303 475 G C -0.772 174.303 174.900 0.292 0.000 1.166 475 G CA -1.033 44.279 45.100 0.354 0.000 0.884 475 G HN 0.716 nan 8.290 nan 0.000 0.514 476 R N -0.503 120.168 120.500 0.286 0.000 2.428 476 R HA 0.627 4.967 4.340 -0.000 0.000 0.294 476 R C -0.966 175.423 176.300 0.147 0.000 1.000 476 R CA -0.549 55.639 56.100 0.148 0.000 0.960 476 R CB 1.224 31.624 30.300 0.166 0.000 1.076 476 R HN 0.256 nan 8.270 nan 0.000 0.475 477 T N 2.225 116.832 114.554 0.089 0.000 2.786 477 T HA 0.112 4.462 4.350 -0.000 0.000 0.283 477 T C -0.674 174.097 174.700 0.118 0.000 0.992 477 T CA -0.625 61.578 62.100 0.171 0.000 0.954 477 T CB 1.297 70.340 68.868 0.291 0.000 0.934 477 T HN 0.671 nan 8.240 nan 0.000 0.440 478 E N 4.298 124.574 120.200 0.126 0.000 2.415 478 E HA 0.104 4.454 4.350 -0.000 0.000 0.263 478 E C -2.257 174.417 176.600 0.125 0.000 0.995 478 E CA -1.560 54.906 56.400 0.110 0.000 0.915 478 E CB 0.468 30.226 29.700 0.097 0.000 0.951 478 E HN 0.184 nan 8.360 nan 0.000 0.449 479 P HA 0.099 nan 4.420 nan 0.000 0.271 479 P C -1.268 176.185 177.300 0.255 0.000 1.233 479 P CA 0.098 63.334 63.100 0.227 0.000 0.764 479 P CB 0.607 32.460 31.700 0.254 0.000 0.825 480 K N 2.602 123.091 120.400 0.149 0.000 2.378 480 K HA 0.176 4.496 4.320 -0.000 0.000 0.252 480 K C 0.924 177.353 176.600 -0.285 0.000 0.931 480 K CA -0.691 55.604 56.287 0.012 0.000 0.794 480 K CB 2.216 34.686 32.500 -0.051 0.000 1.181 480 K HN 0.435 nan 8.250 nan 0.000 0.425 481 E N 2.151 122.026 120.200 -0.541 0.000 2.118 481 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 481 E C 1.015 177.359 176.600 -0.426 0.000 0.992 481 E CA 1.482 57.321 56.400 -0.935 0.000 0.804 481 E CB 0.463 29.823 29.700 -0.566 0.000 0.741 481 E HN 0.557 nan 8.360 nan 0.000 0.458 482 E N 0.442 120.497 120.200 -0.241 0.000 2.338 482 E HA -0.121 4.229 4.350 -0.000 0.000 0.197 482 E C -0.008 176.527 176.600 -0.108 0.000 1.007 482 E CA 0.335 56.648 56.400 -0.145 0.000 0.849 482 E CB -0.314 29.318 29.700 -0.114 0.000 0.774 482 E HN 0.084 nan 8.360 nan 0.000 0.506 483 N N 2.137 120.761 118.700 -0.127 0.000 2.401 483 N HA 0.156 4.895 4.740 -0.000 0.000 0.255 483 N C -0.690 174.873 175.510 0.088 0.000 1.110 483 N CA 0.207 53.236 53.050 -0.035 0.000 0.949 483 N CB 1.008 39.443 38.487 -0.086 0.000 1.110 483 N HN 0.136 nan 8.380 nan 0.000 0.490 484 K N 1.202 121.709 120.400 0.178 0.000 2.426 484 K HA 0.468 4.788 4.320 -0.000 0.000 0.251 484 K C -1.095 175.660 176.600 0.257 0.000 0.941 484 K CA -0.947 55.468 56.287 0.213 0.000 0.808 484 K CB 2.395 35.026 32.500 0.218 0.000 1.265 484 K HN 0.156 nan 8.250 nan 0.000 0.432 485 L N 4.018 125.336 121.223 0.159 0.000 2.319 485 L HA 0.537 4.877 4.340 -0.000 0.000 0.281 485 L C -1.242 175.562 176.870 -0.109 0.000 1.005 485 L CA -0.144 54.620 54.840 -0.127 0.000 0.828 485 L CB 0.486 42.461 42.059 -0.140 0.000 1.227 485 L HN 0.702 nan 8.230 nan 0.000 0.415 486 W N 3.742 124.773 121.300 -0.448 0.000 2.967 486 W HA 0.672 5.332 4.660 -0.000 0.000 0.342 486 W C -2.070 174.027 176.519 -0.703 0.000 1.162 486 W CA -1.243 55.891 57.345 -0.352 0.000 1.085 486 W CB 0.891 30.284 29.460 -0.111 0.000 1.460 486 W HN 0.327 nan 8.180 nan 0.000 0.584 487 F N 1.374 121.511 119.950 0.312 0.000 2.529 487 F HA 0.329 4.856 4.527 -0.000 0.000 0.320 487 F C 0.745 176.698 175.800 0.256 0.000 1.118 487 F CA -0.965 57.097 58.000 0.104 0.000 0.915 487 F CB 2.117 41.158 39.000 0.069 0.000 1.161 487 F HN 0.267 nan 8.300 nan 0.000 0.445 488 S N 0.967 116.804 115.700 0.229 0.000 2.562 488 S HA 0.055 4.525 4.470 -0.000 0.000 0.281 488 S C 0.678 175.421 174.600 0.237 0.000 1.333 488 S CA -0.463 57.898 58.200 0.269 0.000 1.052 488 S CB 0.369 63.637 63.200 0.114 0.000 0.884 488 S HN 0.701 nan 8.310 nan 0.000 0.506 489 D N 2.671 123.200 120.400 0.215 0.000 2.328 489 D HA 0.168 4.808 4.640 -0.000 0.000 0.221 489 D C 0.914 177.274 176.300 0.101 0.000 1.072 489 D CA 0.283 54.367 54.000 0.139 0.000 0.850 489 D CB 0.250 41.116 40.800 0.111 0.000 0.922 489 D HN 0.358 nan 8.370 nan 0.000 0.516 490 K N -0.283 120.180 120.400 0.106 0.000 2.485 490 K HA 0.161 4.481 4.320 -0.000 0.000 0.200 490 K C 0.072 176.712 176.600 0.068 0.000 1.344 490 K CA -0.060 56.274 56.287 0.078 0.000 0.948 490 K CB 1.025 33.572 32.500 0.077 0.000 1.454 490 K HN 0.011 nan 8.250 nan 0.000 0.502 491 I N 3.473 124.086 120.570 0.072 0.000 2.474 491 I HA 0.104 4.274 4.170 -0.000 0.000 0.287 491 I C 0.643 176.793 176.117 0.056 0.000 1.048 491 I CA 0.101 61.432 61.300 0.052 0.000 1.383 491 I CB 0.895 38.915 38.000 0.032 0.000 1.412 491 I HN 0.174 nan 8.210 nan 0.000 0.531 492 T N 1.397 115.980 114.554 0.048 0.000 2.924 492 T HA 0.589 4.939 4.350 -0.000 0.000 0.291 492 T C -0.348 174.383 174.700 0.053 0.000 1.045 492 T CA -0.926 61.208 62.100 0.057 0.000 1.015 492 T CB 2.346 71.242 68.868 0.047 0.000 1.103 492 T HN 0.546 nan 8.240 nan 0.000 0.496 493 D N 0.932 121.379 120.400 0.078 0.000 2.478 493 D HA 0.462 5.102 4.640 -0.000 0.000 0.274 493 D C 1.652 177.985 176.300 0.054 0.000 1.234 493 D CA -0.425 53.627 54.000 0.086 0.000 1.069 493 D CB 0.035 40.925 40.800 0.150 0.000 1.113 493 D HN 0.642 nan 8.370 nan 0.000 0.571 494 A N -1.230 121.608 122.820 0.030 0.000 2.070 494 A HA -0.144 4.176 4.320 -0.000 0.000 0.220 494 A C 1.328 178.732 177.584 -0.301 0.000 1.159 494 A CA 0.989 52.941 52.037 -0.141 0.000 0.656 494 A CB -1.012 17.855 19.000 -0.222 0.000 0.800 494 A HN 0.571 nan 8.150 nan 0.000 0.453 495 Y N -1.190 119.126 120.300 0.026 0.000 2.571 495 Y HA 0.225 4.775 4.550 -0.000 0.000 0.275 495 Y C 0.723 176.640 175.900 0.029 0.000 1.179 495 Y CA -0.110 58.008 58.100 0.030 0.000 1.242 495 Y CB -0.337 38.125 38.460 0.003 0.000 1.126 495 Y HN 0.446 nan 8.280 nan 0.000 0.524 496 N N -0.304 118.456 118.700 0.099 0.000 2.741 496 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 496 N C -0.654 174.896 175.510 0.065 0.000 1.115 496 N CA 0.630 53.717 53.050 0.062 0.000 0.724 496 N CB -0.509 37.996 38.487 0.030 0.000 1.090 496 N HN 0.159 nan 8.380 nan 0.000 0.558 497 M N -0.301 119.354 119.600 0.092 0.000 2.598 497 M HA 0.425 4.905 4.480 -0.000 0.000 0.317 497 M C -2.104 174.249 176.300 0.089 0.000 1.201 497 M CA -2.001 53.340 55.300 0.068 0.000 0.971 497 M CB 0.548 33.184 32.600 0.059 0.000 1.657 497 M HN -0.276 nan 8.290 nan 0.000 0.470 498 P HA -0.021 nan 4.420 nan 0.000 0.262 498 P C -0.608 176.841 177.300 0.248 0.000 1.182 498 P CA 0.136 63.324 63.100 0.147 0.000 0.761 498 P CB 0.220 32.004 31.700 0.140 0.000 0.795 499 Q N 6.861 126.759 119.800 0.162 0.000 2.286 499 Q HA 0.167 4.507 4.340 -0.000 0.000 0.267 499 Q C -2.248 173.729 176.000 -0.039 0.000 1.028 499 Q CA -2.014 53.834 55.803 0.076 0.000 0.901 499 Q CB -0.230 28.504 28.738 -0.006 0.000 1.183 499 Q HN 0.284 nan 8.270 nan 0.000 0.392 500 P HA 0.084 nan 4.420 nan 0.000 0.268 500 P C -1.056 175.766 177.300 -0.796 0.000 1.204 500 P CA -0.044 62.665 63.100 -0.652 0.000 0.768 500 P CB 0.943 32.354 31.700 -0.481 0.000 0.842 501 T N 3.167 117.020 114.554 -1.168 0.000 2.921 501 T HA 0.493 4.843 4.350 -0.000 0.000 0.297 501 T C -0.570 173.468 174.700 -1.102 0.000 1.013 501 T CA -0.140 61.271 62.100 -1.148 0.000 0.990 501 T CB 0.469 68.310 68.868 -1.711 0.000 1.023 501 T HN 0.039 nan 8.240 nan 0.000 0.447 502 F N 1.998 121.674 119.950 -0.458 0.000 2.399 502 F HA 0.512 5.039 4.527 -0.000 0.000 0.334 502 F C 0.719 176.479 175.800 -0.067 0.000 1.097 502 F CA -0.907 56.955 58.000 -0.229 0.000 1.076 502 F CB 1.066 39.976 39.000 -0.149 0.000 1.162 502 F HN 0.404 nan 8.300 nan 0.000 0.495 503 D N 3.458 124.036 120.400 0.297 0.000 2.408 503 D HA 0.204 4.844 4.640 -0.000 0.000 0.261 503 D C -1.771 174.663 176.300 0.222 0.000 1.190 503 D CA -0.103 54.054 54.000 0.262 0.000 0.910 503 D CB 0.251 41.236 40.800 0.308 0.000 1.097 503 D HN 0.290 nan 8.370 nan 0.000 0.522 504 F N 3.191 123.139 119.950 -0.004 0.000 2.561 504 F HA 0.575 5.102 4.527 -0.000 0.000 0.313 504 F C -1.057 174.643 175.800 -0.168 0.000 1.126 504 F CA -0.613 57.317 58.000 -0.117 0.000 0.918 504 F CB 1.342 40.206 39.000 -0.226 0.000 1.199 504 F HN -0.002 nan 8.300 nan 0.000 0.444 505 R N 4.352 124.364 120.500 -0.813 0.000 2.725 505 R HA 0.356 4.696 4.340 -0.000 0.000 0.277 505 R C -1.585 174.090 176.300 -1.042 0.000 0.987 505 R CA -0.996 54.720 56.100 -0.640 0.000 0.901 505 R CB 1.709 31.843 30.300 -0.278 0.000 1.207 505 R HN 0.578 nan 8.270 nan 0.000 0.463 506 F N 2.999 122.731 119.950 -0.362 0.000 2.571 506 F HA 0.137 4.664 4.527 -0.000 0.000 0.384 506 F C -1.293 174.385 175.800 -0.202 0.000 1.058 506 F CA -0.980 56.895 58.000 -0.208 0.000 1.200 506 F CB -0.207 38.789 39.000 -0.006 0.000 1.077 506 F HN 0.124 nan 8.300 nan 0.000 0.558 507 P HA 0.113 nan 4.420 nan 0.000 0.266 507 P C -0.452 176.859 177.300 0.019 0.000 1.195 507 P CA -0.163 62.914 63.100 -0.037 0.000 0.768 507 P CB 0.541 32.234 31.700 -0.012 0.000 0.838 508 A N 2.763 125.581 122.820 -0.003 0.000 2.366 508 A HA 0.562 4.882 4.320 -0.000 0.000 0.250 508 A C 1.150 178.747 177.584 0.021 0.000 1.099 508 A CA 0.720 52.762 52.037 0.008 0.000 0.794 508 A CB -0.993 18.005 19.000 -0.005 0.000 1.056 508 A HN 0.830 nan 8.150 nan 0.000 0.499 509 G N -0.216 108.598 108.800 0.024 0.000 2.498 509 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.251 509 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.251 509 G C 1.056 175.985 174.900 0.048 0.000 1.170 509 G CA 0.825 45.945 45.100 0.033 0.000 0.944 509 G HN 1.018 nan 8.290 nan 0.000 0.567 510 R N -0.168 120.367 120.500 0.058 0.000 2.091 510 R HA -0.092 4.248 4.340 -0.000 0.000 0.238 510 R C 2.861 179.218 176.300 0.095 0.000 1.136 510 R CA 2.761 58.906 56.100 0.075 0.000 0.959 510 R CB -0.923 29.424 30.300 0.078 0.000 0.856 510 R HN 0.645 nan 8.270 nan 0.000 0.437 511 T N 0.056 114.669 114.554 0.099 0.000 2.684 511 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 511 T C 1.957 176.712 174.700 0.091 0.000 1.036 511 T CA 1.882 64.056 62.100 0.124 0.000 1.148 511 T CB -0.226 68.736 68.868 0.156 0.000 0.863 511 T HN 0.271 nan 8.240 nan 0.000 0.436 512 S N 0.661 116.397 115.700 0.060 0.000 2.371 512 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 512 S C 2.035 176.646 174.600 0.017 0.000 1.029 512 S CA 1.139 59.344 58.200 0.009 0.000 0.978 512 S CB -0.227 62.973 63.200 -0.001 0.000 0.833 512 S HN 0.554 nan 8.310 nan 0.000 0.466 513 K N 1.450 121.877 120.400 0.044 0.000 2.032 513 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 513 K C 1.889 178.544 176.600 0.092 0.000 1.048 513 K CA 1.650 57.972 56.287 0.058 0.000 0.927 513 K CB -0.152 32.387 32.500 0.064 0.000 0.712 513 K HN 0.348 nan 8.250 nan 0.000 0.441 514 E N -0.136 120.144 120.200 0.134 0.000 2.106 514 E HA -0.164 4.186 4.350 -0.000 0.000 0.192 514 E C 1.997 178.686 176.600 0.149 0.000 0.984 514 E CA 0.881 57.419 56.400 0.229 0.000 0.806 514 E CB -0.106 29.764 29.700 0.283 0.000 0.750 514 E HN 0.488 nan 8.360 nan 0.000 0.458 515 A N 1.400 124.279 122.820 0.098 0.000 1.877 515 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 515 A C 2.091 179.750 177.584 0.124 0.000 1.186 515 A CA 1.822 53.914 52.037 0.092 0.000 0.620 515 A CB -0.389 18.614 19.000 0.006 0.000 0.822 515 A HN 0.137 nan 8.150 nan 0.000 0.443 516 E N 0.450 120.702 120.200 0.087 0.000 2.072 516 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 516 E C 1.362 177.949 176.600 -0.021 0.000 0.985 516 E CA 1.517 57.967 56.400 0.082 0.000 0.801 516 E CB -0.313 29.410 29.700 0.037 0.000 0.750 516 E HN 0.516 nan 8.360 nan 0.000 0.452 517 D N -0.107 120.276 120.400 -0.028 0.000 2.149 517 D HA -0.189 4.451 4.640 -0.000 0.000 0.198 517 D C 1.926 177.987 176.300 -0.398 0.000 0.990 517 D CA 1.278 55.244 54.000 -0.057 0.000 0.839 517 D CB -0.342 40.554 40.800 0.161 0.000 0.948 517 D HN 0.324 nan 8.370 nan 0.000 0.460 518 M N -0.271 118.891 119.600 -0.730 0.000 2.086 518 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 518 M C 2.088 177.989 176.300 -0.665 0.000 1.067 518 M CA 1.306 55.839 55.300 -1.280 0.000 1.116 518 M CB -0.028 32.010 32.600 -0.937 0.000 1.348 518 M HN -0.022 nan 8.290 nan 0.000 0.407 519 M N 0.522 119.854 119.600 -0.446 0.000 2.073 519 M HA -0.177 4.303 4.480 -0.000 0.000 0.258 519 M C 1.797 177.896 176.300 -0.335 0.000 1.070 519 M CA 2.546 57.584 55.300 -0.438 0.000 1.103 519 M CB -1.046 31.367 32.600 -0.313 0.000 1.321 519 M HN 0.302 nan 8.290 nan 0.000 0.405 520 T N -0.014 114.408 114.554 -0.220 0.000 2.720 520 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 520 T C 1.500 176.133 174.700 -0.112 0.000 1.037 520 T CA 1.817 63.839 62.100 -0.130 0.000 1.144 520 T CB -0.635 68.199 68.868 -0.057 0.000 0.864 520 T HN 0.547 nan 8.240 nan 0.000 0.444 521 D N 0.449 120.776 120.400 -0.122 0.000 2.144 521 D HA -0.057 4.583 4.640 -0.000 0.000 0.199 521 D C 2.055 178.368 176.300 0.021 0.000 0.984 521 D CA 0.849 54.889 54.000 0.066 0.000 0.834 521 D CB -0.213 40.730 40.800 0.237 0.000 0.955 521 D HN 0.294 nan 8.370 nan 0.000 0.465 522 M N -0.552 118.839 119.600 -0.347 0.000 2.132 522 M HA -0.161 4.319 4.480 -0.000 0.000 0.263 522 M C 1.992 178.010 176.300 -0.471 0.000 1.065 522 M CA 1.272 56.102 55.300 -0.783 0.000 1.122 522 M CB -0.145 31.734 32.600 -1.201 0.000 1.365 522 M HN 0.185 nan 8.290 nan 0.000 0.411 523 C N -0.287 118.833 119.300 -0.301 0.000 2.413 523 C HA -0.125 4.335 4.460 -0.000 0.000 0.276 523 C C 2.662 177.561 174.990 -0.151 0.000 1.248 523 C CA 0.916 59.860 59.018 -0.122 0.000 1.742 523 C CB -1.050 26.666 27.740 -0.041 0.000 2.017 523 C HN 0.498 nan 8.230 nan 0.000 0.481 524 V N 0.343 120.197 119.914 -0.099 0.000 2.283 524 V HA -0.260 3.860 4.120 -0.000 0.000 0.243 524 V C 2.397 178.475 176.094 -0.027 0.000 1.039 524 V CA 2.172 64.446 62.300 -0.044 0.000 1.016 524 V CB -0.671 31.178 31.823 0.043 0.000 0.650 524 V HN 0.566 nan 8.190 nan 0.000 0.449 525 M N 0.852 120.484 119.600 0.054 0.000 2.117 525 M HA -0.178 4.302 4.480 -0.000 0.000 0.262 525 M C 2.454 178.657 176.300 -0.161 0.000 1.065 525 M CA 2.379 57.782 55.300 0.171 0.000 1.114 525 M CB -0.211 32.647 32.600 0.430 0.000 1.361 525 M HN 0.565 nan 8.290 nan 0.000 0.408 526 S N 0.432 115.720 115.700 -0.688 0.000 2.399 526 S HA -0.054 4.416 4.470 -0.000 0.000 0.231 526 S C 1.974 176.204 174.600 -0.618 0.000 1.022 526 S CA 0.953 58.363 58.200 -1.318 0.000 0.983 526 S CB -0.850 61.297 63.200 -1.756 0.000 0.803 526 S HN 0.574 nan 8.310 nan 0.000 0.480 527 A N 2.048 124.602 122.820 -0.444 0.000 2.070 527 A HA -0.028 4.292 4.320 -0.000 0.000 0.220 527 A C 2.168 179.632 177.584 -0.200 0.000 1.159 527 A CA 1.347 53.175 52.037 -0.349 0.000 0.656 527 A CB -0.521 18.298 19.000 -0.302 0.000 0.800 527 A HN 0.641 nan 8.150 nan 0.000 0.453 528 K N -0.692 119.635 120.400 -0.121 0.000 2.296 528 K HA 0.057 4.377 4.320 -0.000 0.000 0.200 528 K C 1.155 177.755 176.600 0.000 0.000 1.048 528 K CA 0.682 56.946 56.287 -0.039 0.000 0.966 528 K CB 0.011 32.528 32.500 0.027 0.000 0.754 528 K HN 0.399 nan 8.250 nan 0.000 0.466 529 I N -0.457 120.129 120.570 0.027 0.000 2.927 529 I HA 0.137 4.307 4.170 -0.000 0.000 0.268 529 I C 1.132 177.266 176.117 0.029 0.000 1.153 529 I CA 0.589 61.948 61.300 0.097 0.000 1.459 529 I CB -0.094 38.103 38.000 0.328 0.000 1.149 529 I HN 0.119 nan 8.210 nan 0.000 0.443 530 G N -0.639 108.124 108.800 -0.061 0.000 2.313 530 G HA2 0.429 4.389 3.960 -0.000 0.000 0.296 530 G HA3 0.429 4.389 3.960 -0.000 0.000 0.296 530 G C -0.642 174.119 174.900 -0.231 0.000 1.356 530 G CA -0.220 44.819 45.100 -0.102 0.000 0.833 530 G HN 0.296 nan 8.290 nan 0.000 0.552 531 G N -1.198 107.463 108.800 -0.231 0.000 2.562 531 G HA2 0.588 4.548 3.960 -0.000 0.000 0.275 531 G HA3 0.588 4.548 3.960 -0.000 0.000 0.275 531 G C -0.273 174.447 174.900 -0.301 0.000 1.196 531 G CA -0.596 44.275 45.100 -0.383 0.000 0.908 531 G HN 0.483 nan 8.290 nan 0.000 0.524 532 F N -0.792 119.063 119.950 -0.158 0.000 2.553 532 F HA 0.208 4.735 4.527 -0.000 0.000 0.356 532 F C 0.700 176.440 175.800 -0.100 0.000 1.142 532 F CA -0.764 57.137 58.000 -0.165 0.000 1.322 532 F CB 0.617 39.509 39.000 -0.181 0.000 1.126 532 F HN 0.137 nan 8.300 nan 0.000 0.599 533 L N 5.904 127.198 121.223 0.119 0.000 2.369 533 L HA 0.386 4.726 4.340 -0.000 0.000 0.279 533 L C -2.369 174.547 176.870 0.076 0.000 1.108 533 L CA -2.021 52.865 54.840 0.077 0.000 0.852 533 L CB 0.001 42.102 42.059 0.070 0.000 1.169 533 L HN 0.284 nan 8.230 nan 0.000 0.452 534 P HA 0.178 nan 4.420 nan 0.000 0.262 534 P C 0.648 177.997 177.300 0.081 0.000 1.182 534 P CA 1.032 64.170 63.100 0.064 0.000 0.761 534 P CB 0.614 32.347 31.700 0.055 0.000 0.795 535 G N 2.127 110.967 108.800 0.067 0.000 2.199 535 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.254 535 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.254 535 G C 0.458 175.438 174.900 0.133 0.000 0.982 535 G CA 0.221 45.380 45.100 0.098 0.000 0.632 535 G HN 0.528 nan 8.290 nan 0.000 0.529 536 S N 0.747 116.496 115.700 0.081 0.000 2.474 536 S HA 0.522 4.992 4.470 -0.000 0.000 0.224 536 S C 0.449 174.941 174.600 -0.180 0.000 1.209 536 S CA -0.554 57.670 58.200 0.040 0.000 1.212 536 S CB 0.315 63.520 63.200 0.008 0.000 1.137 536 S HN 0.461 nan 8.310 nan 0.000 0.446 537 L N 2.626 123.738 121.223 -0.185 0.000 2.466 537 L HA 0.362 4.702 4.340 -0.000 0.000 0.257 537 L C -1.995 174.568 176.870 -0.512 0.000 1.189 537 L CA -2.204 52.389 54.840 -0.410 0.000 0.813 537 L CB 0.037 41.928 42.059 -0.279 0.000 1.118 537 L HN 0.092 nan 8.230 nan 0.000 0.471 538 P HA 0.024 nan 4.420 nan 0.000 0.267 538 P C -1.503 175.556 177.300 -0.401 0.000 1.209 538 P CA 0.051 62.752 63.100 -0.664 0.000 0.763 538 P CB 0.568 31.777 31.700 -0.818 0.000 0.816 539 Q N 1.795 121.400 119.800 -0.324 0.000 2.472 539 Q HA 0.483 4.823 4.340 -0.000 0.000 0.281 539 Q C -1.458 174.390 176.000 -0.253 0.000 0.997 539 Q CA -0.894 54.800 55.803 -0.182 0.000 0.828 539 Q CB 0.743 29.456 28.738 -0.043 0.000 1.443 539 Q HN 0.104 nan 8.270 nan 0.000 0.390 540 F N 1.623 121.521 119.950 -0.087 0.000 2.412 540 F HA 0.309 4.836 4.527 -0.000 0.000 0.348 540 F C 0.488 176.262 175.800 -0.043 0.000 1.102 540 F CA -0.364 57.586 58.000 -0.082 0.000 1.196 540 F CB 0.971 39.910 39.000 -0.102 0.000 1.144 540 F HN 0.396 nan 8.300 nan 0.000 0.541 541 M N 2.068 121.730 119.600 0.102 0.000 2.255 541 M HA 0.141 4.621 4.480 -0.000 0.000 0.336 541 M C 0.282 176.636 176.300 0.090 0.000 1.135 541 M CA -0.650 54.684 55.300 0.057 0.000 1.145 541 M CB 0.650 33.245 32.600 -0.007 0.000 1.473 541 M HN 0.649 nan 8.290 nan 0.000 0.462 542 E N 2.989 123.217 120.200 0.047 0.000 2.442 542 E HA 0.083 4.433 4.350 -0.000 0.000 0.262 542 E C -2.336 174.297 176.600 0.054 0.000 1.004 542 E CA -1.298 55.129 56.400 0.045 0.000 0.928 542 E CB 0.085 29.787 29.700 0.004 0.000 0.937 542 E HN 0.248 nan 8.360 nan 0.000 0.446 543 P HA 0.078 nan 4.420 nan 0.000 0.266 543 P C 0.427 177.662 177.300 -0.108 0.000 1.215 543 P CA 1.088 64.231 63.100 0.072 0.000 0.763 543 P CB 0.753 32.477 31.700 0.039 0.000 0.806 544 G N 2.629 111.367 108.800 -0.103 0.000 2.213 544 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.236 544 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.236 544 G C 0.727 175.591 174.900 -0.060 0.000 0.991 544 G CA 0.123 45.121 45.100 -0.170 0.000 0.629 544 G HN 0.510 nan 8.290 nan 0.000 0.517 545 L N 1.067 122.277 121.223 -0.022 0.000 2.127 545 L HA 0.154 4.494 4.340 -0.000 0.000 0.211 545 L C 2.825 179.721 176.870 0.043 0.000 1.089 545 L CA 2.486 57.324 54.840 -0.003 0.000 0.757 545 L CB -0.365 41.683 42.059 -0.019 0.000 0.899 545 L HN 0.473 nan 8.230 nan 0.000 0.434 546 V N -0.254 119.707 119.914 0.078 0.000 2.594 546 V HA -0.163 3.957 4.120 -0.000 0.000 0.253 546 V C 1.525 177.740 176.094 0.201 0.000 1.069 546 V CA 1.155 63.557 62.300 0.170 0.000 1.082 546 V CB -0.282 31.669 31.823 0.215 0.000 0.680 546 V HN 0.489 nan 8.190 nan 0.000 0.469 547 L N 0.456 121.758 121.223 0.132 0.000 3.634 547 L HA -0.184 4.156 4.340 -0.000 0.000 0.423 547 L C 0.064 177.040 176.870 0.177 0.000 1.253 547 L CA 0.567 55.486 54.840 0.133 0.000 0.885 547 L CB -2.029 40.123 42.059 0.156 0.000 1.789 547 L HN 0.445 nan 8.230 nan 0.000 0.904 548 N N 0.648 119.460 118.700 0.186 0.000 2.480 548 N HA 0.265 5.005 4.740 -0.000 0.000 0.281 548 N C -0.137 175.513 175.510 0.234 0.000 1.381 548 N CA -0.388 52.815 53.050 0.254 0.000 0.903 548 N CB 0.606 39.294 38.487 0.335 0.000 1.274 548 N HN 0.216 nan 8.380 nan 0.000 0.505 549 L N 1.079 122.384 121.223 0.137 0.000 2.540 549 L HA 0.355 4.695 4.340 -0.000 0.000 0.276 549 L C 0.729 177.709 176.870 0.183 0.000 1.212 549 L CA 0.522 55.420 54.840 0.097 0.000 0.893 549 L CB 0.048 42.141 42.059 0.056 0.000 1.138 549 L HN 0.227 nan 8.230 nan 0.000 0.491 550 G N 1.912 110.836 108.800 0.207 0.000 2.733 550 G HA2 0.539 4.498 3.960 -0.000 0.000 0.288 550 G HA3 0.539 4.498 3.960 -0.000 0.000 0.288 550 G C 0.311 175.311 174.900 0.167 0.000 1.373 550 G CA -0.271 44.982 45.100 0.255 0.000 0.895 550 G HN 1.312 nan 8.290 nan 0.000 0.479 551 G N -1.179 107.692 108.800 0.118 0.000 2.162 551 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 551 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 551 G C 1.390 176.353 174.900 0.105 0.000 0.976 551 G CA 1.641 46.815 45.100 0.123 0.000 0.655 551 G HN 1.901 nan 8.290 nan 0.000 0.533 552 T N -2.009 112.559 114.554 0.024 0.000 2.962 552 T HA 0.088 4.438 4.350 -0.000 0.000 0.270 552 T C 1.144 175.927 174.700 0.139 0.000 1.088 552 T CA 1.912 64.063 62.100 0.085 0.000 1.127 552 T CB -0.290 68.638 68.868 0.100 0.000 0.883 552 T HN 1.496 nan 8.240 nan 0.000 0.493 553 H N -0.078 119.063 119.070 0.118 0.000 2.712 553 H HA 0.469 5.025 4.556 -0.000 0.000 0.226 553 H C -0.069 175.298 175.328 0.066 0.000 1.422 553 H CA -1.335 54.757 56.048 0.073 0.000 1.270 553 H CB -0.343 29.428 29.762 0.014 0.000 1.891 553 H HN 0.369 nan 8.280 nan 0.000 0.518 554 R N 0.676 121.257 120.500 0.136 0.000 2.641 554 R HA 0.279 4.619 4.340 -0.000 0.000 0.269 554 R C -0.309 176.048 176.300 0.096 0.000 1.074 554 R CA -0.667 55.486 56.100 0.089 0.000 1.133 554 R CB 0.954 31.300 30.300 0.077 0.000 1.029 554 R HN 0.481 nan 8.270 nan 0.000 0.488 555 M N 1.245 120.878 119.600 0.056 0.000 2.342 555 M HA 0.477 4.957 4.480 -0.000 0.000 0.332 555 M C -0.485 175.815 176.300 0.001 0.000 1.166 555 M CA 0.201 55.512 55.300 0.019 0.000 1.086 555 M CB 1.682 34.269 32.600 -0.022 0.000 1.541 555 M HN 0.948 nan 8.290 nan 0.000 0.462 556 G N 1.833 110.643 108.800 0.017 0.000 2.495 556 G HA2 0.386 4.346 3.960 -0.000 0.000 0.294 556 G HA3 0.386 4.346 3.960 -0.000 0.000 0.294 556 G C -0.958 173.963 174.900 0.034 0.000 1.397 556 G CA -0.703 44.361 45.100 -0.061 0.000 0.790 556 G HN 0.672 nan 8.290 nan 0.000 0.486 557 F N -0.026 120.028 119.950 0.173 0.000 2.187 557 F HA 0.250 4.777 4.527 -0.000 0.000 0.295 557 F C 1.234 177.157 175.800 0.204 0.000 1.091 557 F CA 1.017 59.121 58.000 0.172 0.000 1.308 557 F CB 0.529 39.586 39.000 0.095 0.000 1.030 557 F HN 0.290 nan 8.300 nan 0.000 0.487 558 D N -0.215 120.334 120.400 0.248 0.000 2.757 558 D HA 0.055 4.694 4.640 -0.000 0.000 0.249 558 D C 0.618 176.741 176.300 -0.294 0.000 1.168 558 D CA -0.101 53.880 54.000 -0.032 0.000 0.870 558 D CB 1.811 42.620 40.800 0.015 0.000 1.411 558 D HN 0.175 nan 8.370 nan 0.000 0.525 559 E N 3.320 122.992 120.200 -0.880 0.000 2.070 559 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 559 E C 1.496 177.914 176.600 -0.303 0.000 1.004 559 E CA 1.409 57.289 56.400 -0.866 0.000 0.805 559 E CB 0.325 29.401 29.700 -1.041 0.000 0.744 559 E HN 0.422 nan 8.360 nan 0.000 0.451 560 K N 0.135 120.404 120.400 -0.219 0.000 2.044 560 K HA -0.110 4.210 4.320 -0.000 0.000 0.204 560 K C 2.002 178.569 176.600 -0.055 0.000 1.049 560 K CA 1.334 57.563 56.287 -0.096 0.000 0.945 560 K CB 0.083 32.541 32.500 -0.071 0.000 0.724 560 K HN 0.073 nan 8.250 nan 0.000 0.440 561 E N 0.227 120.398 120.200 -0.048 0.000 2.150 561 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 561 E C 0.709 177.305 176.600 -0.005 0.000 0.985 561 E CA 1.023 57.417 56.400 -0.010 0.000 0.814 561 E CB 0.170 29.877 29.700 0.012 0.000 0.752 561 E HN 0.350 nan 8.360 nan 0.000 0.466 562 D N -0.119 120.270 120.400 -0.019 0.000 2.398 562 D HA 0.063 4.703 4.640 -0.000 0.000 0.210 562 D C -0.633 175.602 176.300 -0.109 0.000 1.094 562 D CA -0.014 53.969 54.000 -0.028 0.000 0.839 562 D CB 0.178 40.996 40.800 0.031 0.000 0.963 562 D HN 0.061 nan 8.370 nan 0.000 0.506 563 N N 0.470 119.106 118.700 -0.107 0.000 2.696 563 N HA -0.179 4.561 4.740 -0.000 0.000 0.256 563 N C -0.338 175.091 175.510 -0.135 0.000 1.031 563 N CA 0.619 53.579 53.050 -0.150 0.000 0.730 563 N CB -1.513 36.744 38.487 -0.384 0.000 0.894 563 N HN 0.409 nan 8.380 nan 0.000 0.544 564 C N -3.534 115.767 119.300 0.002 0.000 3.318 564 C HA 0.797 5.257 4.460 -0.000 0.000 0.329 564 C C 1.281 176.442 174.990 0.286 0.000 1.449 564 C CA -0.564 58.528 59.018 0.124 0.000 1.397 564 C CB 1.563 29.395 27.740 0.153 0.000 1.810 564 C HN 0.472 nan 8.230 nan 0.000 0.449 565 C N 0.219 119.722 119.300 0.338 0.000 3.095 565 C HA 0.513 4.973 4.460 -0.000 0.000 0.472 565 C C 0.642 175.733 174.990 0.169 0.000 1.348 565 C CA 0.661 59.871 59.018 0.319 0.000 2.206 565 C CB -0.264 27.584 27.740 0.179 0.000 3.088 565 C HN 1.005 nan 8.230 nan 0.000 0.599 566 V N 1.372 121.267 119.914 -0.033 0.000 3.001 566 V HA 0.728 4.848 4.120 -0.000 0.000 0.314 566 V C -0.820 174.924 176.094 -0.585 0.000 1.099 566 V CA -0.596 61.442 62.300 -0.436 0.000 0.989 566 V CB 1.599 33.299 31.823 -0.205 0.000 1.040 566 V HN 0.409 nan 8.190 nan 0.000 0.434 567 N N 0.805 119.012 118.700 -0.821 0.000 2.495 567 N HA 0.272 5.012 4.740 -0.000 0.000 0.294 567 N C 1.056 176.434 175.510 -0.221 0.000 1.276 567 N CA 0.240 53.021 53.050 -0.448 0.000 0.973 567 N CB 0.078 38.317 38.487 -0.414 0.000 1.143 567 N HN 0.943 nan 8.380 nan 0.000 0.589 568 T N -4.562 109.913 114.554 -0.132 0.000 3.113 568 T HA -0.011 4.339 4.350 -0.000 0.000 0.263 568 T C 0.132 174.759 174.700 -0.120 0.000 1.143 568 T CA 0.733 62.757 62.100 -0.127 0.000 1.090 568 T CB -0.392 68.430 68.868 -0.077 0.000 0.922 568 T HN 0.450 nan 8.240 nan 0.000 0.521 569 D N 1.019 121.337 120.400 -0.137 0.000 2.328 569 D HA 0.192 4.832 4.640 -0.000 0.000 0.221 569 D C 0.562 176.868 176.300 0.011 0.000 1.072 569 D CA 0.127 54.062 54.000 -0.108 0.000 0.850 569 D CB 0.104 40.723 40.800 -0.302 0.000 0.922 569 D HN 0.341 nan 8.370 nan 0.000 0.516 570 S N 0.195 115.872 115.700 -0.039 0.000 3.476 570 S HA -0.252 4.218 4.470 -0.000 0.000 0.309 570 S C 0.542 175.139 174.600 -0.004 0.000 1.222 570 S CA 0.434 58.647 58.200 0.022 0.000 0.922 570 S CB -1.335 61.950 63.200 0.143 0.000 1.023 570 S HN 0.466 nan 8.310 nan 0.000 0.591 571 R N 1.171 121.549 120.500 -0.203 0.000 2.297 571 R HA 0.482 4.822 4.340 -0.000 0.000 0.308 571 R C -0.018 175.978 176.300 -0.507 0.000 1.029 571 R CA -0.418 55.372 56.100 -0.516 0.000 0.929 571 R CB 0.704 30.666 30.300 -0.563 0.000 1.046 571 R HN 0.138 nan 8.270 nan 0.000 0.461 572 V N 5.911 125.556 119.914 -0.448 0.000 2.585 572 V HA 0.013 4.133 4.120 -0.000 0.000 0.296 572 V C 0.182 176.205 176.094 -0.118 0.000 1.035 572 V CA 0.203 62.325 62.300 -0.297 0.000 1.084 572 V CB 0.078 31.709 31.823 -0.321 0.000 0.953 572 V HN 0.565 nan 8.190 nan 0.000 0.483 573 F N 3.723 123.712 119.950 0.065 0.000 2.608 573 F HA 0.427 4.954 4.527 -0.000 0.000 0.380 573 F C 1.516 177.437 175.800 0.202 0.000 1.083 573 F CA 1.460 59.519 58.000 0.099 0.000 1.266 573 F CB 0.142 39.194 39.000 0.086 0.000 1.076 573 F HN 0.787 nan 8.300 nan 0.000 0.574 574 G N 2.330 111.306 108.800 0.294 0.000 2.241 574 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 574 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 574 G C -0.116 174.731 174.900 -0.087 0.000 0.998 574 G CA -0.551 44.614 45.100 0.109 0.000 0.621 574 G HN 0.430 nan 8.290 nan 0.000 0.519 575 F N 1.242 121.210 119.950 0.030 0.000 2.427 575 F HA 0.602 5.129 4.527 -0.000 0.000 0.346 575 F C 1.402 177.181 175.800 -0.035 0.000 1.120 575 F CA -0.901 57.101 58.000 0.003 0.000 1.033 575 F CB 1.671 40.668 39.000 -0.006 0.000 1.126 575 F HN -0.229 nan 8.300 nan 0.000 0.462 576 K N 1.792 122.288 120.400 0.160 0.000 2.148 576 K HA -0.096 4.224 4.320 -0.000 0.000 0.204 576 K C 0.713 177.511 176.600 0.330 0.000 1.050 576 K CA 1.136 57.553 56.287 0.216 0.000 0.942 576 K CB -0.003 32.627 32.500 0.218 0.000 0.724 576 K HN 0.685 nan 8.250 nan 0.000 0.446 577 N N -0.151 118.705 118.700 0.261 0.000 2.387 577 N HA 0.030 4.770 4.740 -0.000 0.000 0.259 577 N C -0.808 174.784 175.510 0.137 0.000 1.369 577 N CA -0.332 52.924 53.050 0.344 0.000 0.867 577 N CB -0.136 38.630 38.487 0.466 0.000 1.341 577 N HN -0.076 nan 8.380 nan 0.000 0.495 578 L N 0.624 121.690 121.223 -0.261 0.000 2.376 578 L HA 0.701 5.041 4.340 -0.000 0.000 0.275 578 L C -1.865 174.598 176.870 -0.679 0.000 0.987 578 L CA -0.582 54.086 54.840 -0.286 0.000 0.828 578 L CB 0.937 42.827 42.059 -0.281 0.000 1.249 578 L HN -0.028 nan 8.230 nan 0.000 0.409 579 F N 4.994 124.854 119.950 -0.149 0.000 2.532 579 F HA 0.648 5.175 4.527 -0.000 0.000 0.321 579 F C -0.521 175.119 175.800 -0.266 0.000 1.089 579 F CA -0.708 57.183 58.000 -0.182 0.000 0.926 579 F CB 1.806 40.722 39.000 -0.140 0.000 1.168 579 F HN 0.187 nan 8.300 nan 0.000 0.459 580 L N 2.180 123.352 121.223 -0.085 0.000 2.329 580 L HA 0.846 5.186 4.340 -0.000 0.000 0.279 580 L C 0.146 177.019 176.870 0.005 0.000 1.014 580 L CA -0.788 53.934 54.840 -0.197 0.000 0.814 580 L CB 1.769 43.568 42.059 -0.433 0.000 1.257 580 L HN 0.791 nan 8.230 nan 0.000 0.424 581 G N 0.550 109.368 108.800 0.030 0.000 2.482 581 G HA2 0.783 4.743 3.960 -0.000 0.000 0.317 581 G HA3 0.783 4.743 3.960 -0.000 0.000 0.317 581 G C -0.429 174.592 174.900 0.202 0.000 1.241 581 G CA -0.223 45.002 45.100 0.209 0.000 0.967 581 G HN 0.958 nan 8.290 nan 0.000 0.482 582 G N -1.028 107.884 108.800 0.187 0.000 2.347 582 G HA2 0.049 4.009 3.960 -0.000 0.000 0.341 582 G HA3 0.049 4.009 3.960 -0.000 0.000 0.341 582 G C 0.800 175.752 174.900 0.087 0.000 1.287 582 G CA 0.077 45.259 45.100 0.137 0.000 0.984 582 G HN 1.127 nan 8.290 nan 0.000 0.526 583 C N 0.651 119.981 119.300 0.049 0.000 2.419 583 C HA 0.185 4.645 4.460 -0.000 0.000 0.281 583 C C 3.063 178.031 174.990 -0.036 0.000 1.336 583 C CA 1.879 60.909 59.018 0.020 0.000 1.770 583 C CB -1.360 26.427 27.740 0.078 0.000 1.929 583 C HN 1.282 nan 8.230 nan 0.000 0.509 584 G N 1.108 109.788 108.800 -0.199 0.000 2.479 584 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.220 584 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.220 584 G C 1.417 175.967 174.900 -0.584 0.000 1.115 584 G CA 0.758 45.485 45.100 -0.622 0.000 0.757 584 G HN 0.554 nan 8.290 nan 0.000 0.560 585 N N 0.332 118.895 118.700 -0.227 0.000 2.396 585 N HA 0.021 4.761 4.740 -0.000 0.000 0.180 585 N C 0.899 176.424 175.510 0.024 0.000 1.028 585 N CA 0.155 53.215 53.050 0.017 0.000 0.893 585 N CB 0.023 38.574 38.487 0.106 0.000 0.967 585 N HN 0.306 nan 8.380 nan 0.000 0.440 586 I N 3.053 123.638 120.570 0.025 0.000 2.505 586 I HA 0.029 4.199 4.170 -0.000 0.000 0.287 586 I C -1.338 174.872 176.117 0.155 0.000 1.104 586 I CA -0.973 60.373 61.300 0.077 0.000 1.387 586 I CB 1.172 39.169 38.000 -0.005 0.000 1.404 586 I HN -0.059 nan 8.210 nan 0.000 0.528 587 P HA 0.058 nan 4.420 nan 0.000 0.267 587 P C 0.274 177.661 177.300 0.145 0.000 1.289 587 P CA 0.209 63.379 63.100 0.115 0.000 0.866 587 P CB 0.169 31.895 31.700 0.044 0.000 1.309 588 T N -2.264 112.412 114.554 0.203 0.000 2.897 588 T HA 0.685 5.035 4.350 -0.000 0.000 0.278 588 T C 0.164 174.991 174.700 0.212 0.000 0.981 588 T CA -0.874 61.332 62.100 0.177 0.000 0.973 588 T CB 1.179 70.130 68.868 0.140 0.000 1.092 588 T HN 0.052 nan 8.240 nan 0.000 0.543 589 A N 1.763 124.640 122.820 0.095 0.000 2.302 589 A HA 0.616 4.936 4.320 -0.000 0.000 0.295 589 A C -0.714 176.823 177.584 -0.079 0.000 1.235 589 A CA -0.870 51.169 52.037 0.003 0.000 0.876 589 A CB -0.802 18.223 19.000 0.042 0.000 1.133 589 A HN 0.893 nan 8.150 nan 0.000 0.533 590 Y N -0.195 120.003 120.300 -0.170 0.000 2.477 590 Y HA 0.697 5.247 4.550 -0.000 0.000 0.347 590 Y C 0.687 176.450 175.900 -0.229 0.000 0.981 590 Y CA -0.663 57.148 58.100 -0.481 0.000 1.033 590 Y CB 1.390 39.352 38.460 -0.830 0.000 1.245 590 Y HN 0.405 nan 8.280 nan 0.000 0.455 591 G N 1.009 109.719 108.800 -0.149 0.000 2.673 591 G HA2 0.364 4.324 3.960 -0.000 0.000 0.208 591 G HA3 0.364 4.324 3.960 -0.000 0.000 0.208 591 G C 0.514 175.494 174.900 0.134 0.000 1.128 591 G CA 0.157 45.361 45.100 0.173 0.000 0.805 591 G HN 0.966 nan 8.290 nan 0.000 0.526 592 A N 0.827 123.570 122.820 -0.129 0.000 2.448 592 A HA 0.411 4.731 4.320 -0.000 0.000 0.239 592 A C -0.021 177.557 177.584 -0.010 0.000 1.080 592 A CA -0.366 51.501 52.037 -0.283 0.000 0.779 592 A CB -0.007 18.850 19.000 -0.237 0.000 1.026 592 A HN 0.389 nan 8.150 nan 0.000 0.499 593 N N 2.291 120.865 118.700 -0.211 0.000 2.483 593 N HA 0.251 4.991 4.740 -0.000 0.000 0.264 593 N C -1.980 173.620 175.510 0.150 0.000 1.197 593 N CA -0.998 52.044 53.050 -0.012 0.000 0.927 593 N CB 0.430 38.870 38.487 -0.077 0.000 1.065 593 N HN 0.420 nan 8.380 nan 0.000 0.461 594 P HA -0.019 nan 4.420 nan 0.000 0.240 594 P C 0.450 177.712 177.300 -0.063 0.000 1.190 594 P CA 0.712 63.809 63.100 -0.005 0.000 0.781 594 P CB 0.292 31.960 31.700 -0.053 0.000 0.931 595 T N 0.901 115.501 114.554 0.078 0.000 2.788 595 T HA -0.126 4.224 4.350 -0.000 0.000 0.268 595 T C 1.769 176.584 174.700 0.192 0.000 1.044 595 T CA 0.910 63.088 62.100 0.130 0.000 1.139 595 T CB -0.777 68.197 68.868 0.176 0.000 0.867 595 T HN 0.019 nan 8.240 nan 0.000 0.454 596 L N 1.105 122.458 121.223 0.217 0.000 2.083 596 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 596 L C 2.495 179.458 176.870 0.156 0.000 1.083 596 L CA 1.722 56.731 54.840 0.282 0.000 0.752 596 L CB -1.043 41.160 42.059 0.240 0.000 0.899 596 L HN 0.177 nan 8.230 nan 0.000 0.433 597 T N -0.372 114.147 114.554 -0.059 0.000 2.737 597 T HA -0.132 4.218 4.350 -0.000 0.000 0.265 597 T C 1.929 176.558 174.700 -0.117 0.000 1.038 597 T CA 1.235 63.208 62.100 -0.213 0.000 1.144 597 T CB -0.511 67.810 68.868 -0.911 0.000 0.866 597 T HN 0.512 nan 8.240 nan 0.000 0.434 598 A N 1.648 124.403 122.820 -0.108 0.000 1.917 598 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 598 A C 2.325 179.879 177.584 -0.049 0.000 1.182 598 A CA 2.058 54.066 52.037 -0.048 0.000 0.633 598 A CB -0.795 18.197 19.000 -0.014 0.000 0.819 598 A HN 0.533 nan 8.150 nan 0.000 0.448 599 M N -0.275 119.301 119.600 -0.040 0.000 2.117 599 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 599 M C 2.162 178.373 176.300 -0.148 0.000 1.065 599 M CA 2.178 57.420 55.300 -0.097 0.000 1.114 599 M CB -0.161 32.378 32.600 -0.101 0.000 1.361 599 M HN 0.390 nan 8.290 nan 0.000 0.408 600 S N 1.140 116.759 115.700 -0.135 0.000 2.368 600 S HA -0.127 4.343 4.470 -0.000 0.000 0.225 600 S C 1.754 176.173 174.600 -0.302 0.000 1.030 600 S CA 1.463 59.520 58.200 -0.238 0.000 0.999 600 S CB -0.587 62.426 63.200 -0.311 0.000 0.844 600 S HN 0.515 nan 8.310 nan 0.000 0.459 601 L N 1.182 122.267 121.223 -0.231 0.000 2.042 601 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 601 L C 2.794 179.533 176.870 -0.219 0.000 1.076 601 L CA 1.258 55.963 54.840 -0.225 0.000 0.749 601 L CB -0.734 41.261 42.059 -0.106 0.000 0.893 601 L HN 0.332 nan 8.230 nan 0.000 0.432 602 A N 0.183 122.864 122.820 -0.232 0.000 1.930 602 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 602 A C 2.222 179.483 177.584 -0.539 0.000 1.175 602 A CA 1.341 53.120 52.037 -0.430 0.000 0.627 602 A CB -0.597 18.130 19.000 -0.454 0.000 0.815 602 A HN 0.342 nan 8.150 nan 0.000 0.443 603 I N -0.420 119.930 120.570 -0.366 0.000 2.179 603 I HA -0.291 3.879 4.170 -0.000 0.000 0.242 603 I C 2.529 178.487 176.117 -0.265 0.000 1.088 603 I CA 1.945 63.068 61.300 -0.295 0.000 1.357 603 I CB -0.217 37.629 38.000 -0.257 0.000 1.051 603 I HN 0.370 nan 8.210 nan 0.000 0.409 604 K N 0.447 120.688 120.400 -0.265 0.000 2.063 604 K HA -0.235 4.085 4.320 -0.000 0.000 0.208 604 K C 2.351 178.869 176.600 -0.137 0.000 1.048 604 K CA 1.869 58.031 56.287 -0.208 0.000 0.928 604 K CB -0.148 32.195 32.500 -0.262 0.000 0.713 604 K HN 0.159 nan 8.250 nan 0.000 0.442 605 S N -0.093 115.508 115.700 -0.165 0.000 2.368 605 S HA -0.162 4.308 4.470 -0.000 0.000 0.225 605 S C 2.036 176.547 174.600 -0.148 0.000 1.030 605 S CA 1.453 59.597 58.200 -0.092 0.000 0.999 605 S CB -0.466 62.722 63.200 -0.020 0.000 0.844 605 S HN 0.576 nan 8.310 nan 0.000 0.459 606 C N 1.506 120.641 119.300 -0.276 0.000 2.432 606 C HA 0.040 4.500 4.460 -0.000 0.000 0.280 606 C C 2.494 177.406 174.990 -0.129 0.000 1.353 606 C CA 0.592 59.461 59.018 -0.249 0.000 1.766 606 C CB -1.444 26.109 27.740 -0.312 0.000 1.924 606 C HN 0.680 nan 8.230 nan 0.000 0.509 607 E N -0.509 119.638 120.200 -0.088 0.000 2.077 607 E HA -0.247 4.103 4.350 -0.000 0.000 0.193 607 E C 1.830 178.442 176.600 0.020 0.000 0.989 607 E CA 1.465 57.845 56.400 -0.034 0.000 0.800 607 E CB -0.294 29.381 29.700 -0.040 0.000 0.746 607 E HN 0.832 nan 8.360 nan 0.000 0.452 608 Y N 1.239 121.508 120.300 -0.052 0.000 2.163 608 Y HA -0.200 4.350 4.550 -0.000 0.000 0.288 608 Y C 1.998 177.934 175.900 0.060 0.000 1.136 608 Y CA 1.453 59.566 58.100 0.021 0.000 1.147 608 Y CB -0.109 38.395 38.460 0.074 0.000 0.987 608 Y HN -0.071 nan 8.280 nan 0.000 0.509 609 I N 0.468 121.069 120.570 0.050 0.000 2.208 609 I HA -0.352 3.818 4.170 -0.000 0.000 0.245 609 I C 2.317 178.476 176.117 0.069 0.000 1.097 609 I CA 1.736 63.041 61.300 0.008 0.000 1.363 609 I CB -0.411 37.365 38.000 -0.373 0.000 1.051 609 I HN 0.175 nan 8.210 nan 0.000 0.413 610 K N 0.285 120.693 120.400 0.012 0.000 2.209 610 K HA -0.191 4.129 4.320 -0.000 0.000 0.204 610 K C 1.970 178.617 176.600 0.079 0.000 1.048 610 K CA 1.190 57.555 56.287 0.130 0.000 0.940 610 K CB -0.102 32.453 32.500 0.091 0.000 0.729 610 K HN 0.466 nan 8.250 nan 0.000 0.451 611 Q N -0.363 119.414 119.800 -0.039 0.000 2.424 611 Q HA 0.062 4.402 4.340 -0.000 0.000 0.204 611 Q C 0.944 176.832 176.000 -0.187 0.000 0.933 611 Q CA 0.440 56.179 55.803 -0.106 0.000 0.929 611 Q CB 0.447 29.098 28.738 -0.145 0.000 1.037 611 Q HN 0.278 nan 8.270 nan 0.000 0.511 612 N N -0.987 117.577 118.700 -0.226 0.000 2.166 612 N HA 0.154 4.894 4.740 -0.000 0.000 0.213 612 N C -0.918 174.253 175.510 -0.566 0.000 1.222 612 N CA 0.253 53.041 53.050 -0.437 0.000 0.900 612 N CB 1.046 39.109 38.487 -0.707 0.000 1.055 612 N HN -0.005 nan 8.380 nan 0.000 0.515 613 F N 0.460 120.426 119.950 0.027 0.000 2.578 613 F HA 0.344 4.871 4.527 -0.000 0.000 0.311 613 F C -0.057 175.866 175.800 0.206 0.000 1.094 613 F CA -0.680 57.397 58.000 0.129 0.000 0.923 613 F CB 1.951 41.038 39.000 0.146 0.000 1.230 613 F HN -0.374 nan 8.300 nan 0.000 0.450 614 T N 3.512 118.239 114.554 0.287 0.000 2.771 614 T HA 0.430 4.780 4.350 -0.000 0.000 0.281 614 T C -2.616 172.093 174.700 0.015 0.000 0.982 614 T CA -1.532 60.625 62.100 0.095 0.000 0.978 614 T CB 1.264 70.151 68.868 0.032 0.000 0.930 614 T HN 0.116 nan 8.240 nan 0.000 0.447 615 P HA 0.118 nan 4.420 nan 0.000 0.266 615 P C 0.044 177.265 177.300 -0.131 0.000 1.195 615 P CA -0.355 62.504 63.100 -0.403 0.000 0.768 615 P CB 0.283 31.614 31.700 -0.616 0.000 0.838 616 S N 3.347 119.010 115.700 -0.061 0.000 2.579 616 S HA 0.314 4.784 4.470 -0.000 0.000 0.275 616 S C -2.072 172.511 174.600 -0.029 0.000 1.345 616 S CA -1.029 57.155 58.200 -0.027 0.000 1.031 616 S CB -0.659 62.530 63.200 -0.019 0.000 0.892 616 S HN 0.315 nan 8.310 nan 0.000 0.529 617 P HA 0.143 nan 4.420 nan 0.000 0.271 617 P C -0.654 176.709 177.300 0.104 0.000 1.216 617 P CA -0.438 62.689 63.100 0.045 0.000 0.776 617 P CB 0.124 31.848 31.700 0.040 0.000 0.881 618 F N 3.314 123.248 119.950 -0.025 0.000 2.506 618 F HA 0.079 4.606 4.527 -0.000 0.000 0.369 618 F C 1.391 177.182 175.800 -0.014 0.000 1.114 618 F CA -0.081 57.909 58.000 -0.016 0.000 1.121 618 F CB -0.638 38.354 39.000 -0.013 0.000 1.104 618 F HN 0.280 nan 8.300 nan 0.000 0.564 619 T N 0.000 114.791 114.554 0.395 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.237 62.100 0.228 0.000 1.349 619 T CB 0.000 68.947 68.868 0.131 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658