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 1tt0_1_B 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 PGLVLHLGGT 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 0.000 176.261 176.300 -0.065 0.000 1.140 43 M CA 0.000 55.288 55.300 -0.020 0.000 0.988 43 M CB 0.000 32.385 32.600 -0.358 0.000 1.302 44 D N 3.023 123.408 120.400 -0.025 0.000 2.363 44 D HA 0.296 4.936 4.640 -0.000 0.000 0.240 44 D C 1.110 177.299 176.300 -0.185 0.000 1.236 44 D CA -0.013 53.873 54.000 -0.191 0.000 0.927 44 D CB 0.829 41.377 40.800 -0.421 0.000 1.150 44 D HN 0.698 nan 8.370 nan 0.000 0.458 45 I N -2.948 117.506 120.570 -0.194 0.000 4.082 45 I HA 0.258 4.428 4.170 -0.000 0.000 0.337 45 I C 0.149 176.202 176.117 -0.106 0.000 1.352 45 I CA -0.136 61.107 61.300 -0.094 0.000 1.097 45 I CB 0.119 38.093 38.000 -0.043 0.000 1.048 45 I HN -0.036 nan 8.210 nan 0.000 0.393 46 K N 0.897 121.121 120.400 -0.293 0.000 2.358 46 K HA 0.568 4.888 4.320 -0.000 0.000 0.260 46 K C -1.817 174.462 176.600 -0.534 0.000 0.956 46 K CA -0.461 55.678 56.287 -0.247 0.000 0.834 46 K CB 0.814 33.230 32.500 -0.141 0.000 1.102 46 K HN 0.148 nan 8.250 nan 0.000 0.431 47 Y N 1.256 121.544 120.300 -0.021 0.000 2.598 47 Y HA 0.259 4.809 4.550 -0.000 0.000 0.340 47 Y C 0.778 176.656 175.900 -0.036 0.000 1.038 47 Y CA -0.715 57.369 58.100 -0.028 0.000 1.100 47 Y CB 1.780 40.221 38.460 -0.032 0.000 1.281 47 Y HN 0.626 nan 8.280 nan 0.000 0.488 48 D N 0.150 120.644 120.400 0.157 0.000 2.123 48 D HA 0.013 4.653 4.640 -0.000 0.000 0.200 48 D C -0.309 175.987 176.300 -0.007 0.000 0.976 48 D CA 1.437 55.510 54.000 0.122 0.000 0.831 48 D CB 0.235 41.196 40.800 0.269 0.000 0.974 48 D HN 0.113 nan 8.370 nan 0.000 0.469 49 V N 1.147 121.050 119.914 -0.018 0.000 2.686 49 V HA 0.354 4.474 4.120 -0.000 0.000 0.306 49 V C -0.321 175.677 176.094 -0.160 0.000 1.065 49 V CA -1.069 61.126 62.300 -0.176 0.000 0.894 49 V CB 2.485 34.174 31.823 -0.224 0.000 1.004 49 V HN -0.012 nan 8.190 nan 0.000 0.424 50 V N 3.104 122.878 119.914 -0.233 0.000 2.495 50 V HA 0.750 4.870 4.120 -0.000 0.000 0.298 50 V C -0.620 175.414 176.094 -0.101 0.000 1.031 50 V CA -0.567 61.658 62.300 -0.126 0.000 0.871 50 V CB 1.647 33.473 31.823 0.005 0.000 0.988 50 V HN 0.690 nan 8.190 nan 0.000 0.432 51 I N 4.616 125.150 120.570 -0.061 0.000 2.389 51 I HA 0.471 4.640 4.170 -0.000 0.000 0.288 51 I C -0.494 175.644 176.117 0.035 0.000 0.999 51 I CA -0.901 60.352 61.300 -0.078 0.000 1.129 51 I CB 2.147 40.082 38.000 -0.109 0.000 1.288 51 I HN 0.440 nan 8.210 nan 0.000 0.444 52 V N 5.714 125.636 119.914 0.014 0.000 2.364 52 V HA 0.767 4.887 4.120 -0.000 0.000 0.272 52 V C 0.516 176.616 176.094 0.011 0.000 1.036 52 V CA -0.230 62.102 62.300 0.053 0.000 0.880 52 V CB 0.559 32.388 31.823 0.010 0.000 0.991 52 V HN 1.065 nan 8.190 nan 0.000 0.460 53 G N 4.088 112.909 108.800 0.036 0.000 2.911 53 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.686 53 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.686 53 G C -0.031 174.880 174.900 0.019 0.000 1.136 53 G CA -0.228 44.885 45.100 0.021 0.000 0.764 53 G HN 1.362 nan 8.290 nan 0.000 0.626 54 S N 1.044 116.758 115.700 0.023 0.000 2.664 54 S HA 0.610 5.080 4.470 -0.000 0.000 0.245 54 S C 1.300 175.905 174.600 0.008 0.000 1.019 54 S CA 0.745 58.963 58.200 0.031 0.000 0.996 54 S CB 0.623 63.853 63.200 0.051 0.000 0.878 54 S HN 1.972 nan 8.310 nan 0.000 0.493 55 G N 2.765 111.560 108.800 -0.009 0.000 2.631 55 G HA2 0.380 4.340 3.960 -0.000 0.000 0.271 55 G HA3 0.380 4.340 3.960 -0.000 0.000 0.271 55 G C -1.121 173.751 174.900 -0.047 0.000 1.302 55 G CA -1.186 43.888 45.100 -0.043 0.000 1.002 55 G HN 0.245 nan 8.290 nan 0.000 0.519 56 P HA -0.063 nan 4.420 nan 0.000 0.220 56 P C 1.698 178.951 177.300 -0.078 0.000 1.148 56 P CA 0.765 63.821 63.100 -0.074 0.000 0.803 56 P CB 0.183 31.858 31.700 -0.042 0.000 0.782 57 I N 0.095 120.647 120.570 -0.030 0.000 2.333 57 I HA -0.022 4.148 4.170 -0.000 0.000 0.246 57 I C 2.708 178.881 176.117 0.095 0.000 1.106 57 I CA 1.491 62.804 61.300 0.023 0.000 1.411 57 I CB -2.292 35.748 38.000 0.066 0.000 1.082 57 I HN -0.004 nan 8.210 nan 0.000 0.420 58 G N 0.294 109.126 108.800 0.054 0.000 2.442 58 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.219 58 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.219 58 G C 1.740 176.633 174.900 -0.012 0.000 1.141 58 G CA 0.992 46.113 45.100 0.036 0.000 0.763 58 G HN 0.410 nan 8.290 nan 0.000 0.554 59 C N 0.517 119.786 119.300 -0.052 0.000 2.448 59 C HA 0.057 4.517 4.460 -0.000 0.000 0.280 59 C C 3.151 178.014 174.990 -0.211 0.000 1.398 59 C CA 1.290 60.234 59.018 -0.123 0.000 1.774 59 C CB -0.910 26.804 27.740 -0.042 0.000 1.888 59 C HN 0.441 nan 8.230 nan 0.000 0.519 60 T N -0.032 114.425 114.554 -0.161 0.000 2.737 60 T HA -0.137 4.213 4.350 -0.000 0.000 0.265 60 T C 1.461 176.016 174.700 -0.242 0.000 1.038 60 T CA 1.530 63.502 62.100 -0.212 0.000 1.144 60 T CB -0.379 68.384 68.868 -0.175 0.000 0.866 60 T HN 0.552 nan 8.240 nan 0.000 0.434 61 Y N 1.526 121.691 120.300 -0.226 0.000 2.165 61 Y HA -0.067 4.482 4.550 -0.000 0.000 0.286 61 Y C 2.738 178.429 175.900 -0.348 0.000 1.155 61 Y CA 0.960 58.909 58.100 -0.252 0.000 1.164 61 Y CB -0.656 37.672 38.460 -0.220 0.000 0.978 61 Y HN 0.196 nan 8.280 nan 0.000 0.513 62 A N 0.135 122.767 122.820 -0.313 0.000 1.902 62 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 62 A C 2.178 179.221 177.584 -0.903 0.000 1.181 62 A CA 1.977 53.587 52.037 -0.712 0.000 0.623 62 A CB -0.681 17.619 19.000 -1.167 0.000 0.818 62 A HN 0.410 nan 8.150 nan 0.000 0.443 63 R N 0.053 120.101 120.500 -0.753 0.000 2.073 63 R HA -0.125 4.215 4.340 -0.000 0.000 0.234 63 R C 1.968 178.088 176.300 -0.301 0.000 1.134 63 R CA 1.950 57.761 56.100 -0.481 0.000 0.952 63 R CB -0.363 29.651 30.300 -0.477 0.000 0.850 63 R HN 0.532 nan 8.270 nan 0.000 0.433 64 E N 0.317 120.360 120.200 -0.261 0.000 2.047 64 E HA -0.158 4.192 4.350 -0.000 0.000 0.191 64 E C 2.068 178.621 176.600 -0.078 0.000 0.987 64 E CA 1.561 57.882 56.400 -0.131 0.000 0.799 64 E CB -0.114 29.499 29.700 -0.144 0.000 0.752 64 E HN 0.423 nan 8.360 nan 0.000 0.449 65 L N 0.288 121.441 121.223 -0.117 0.000 2.202 65 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 65 L C 2.534 179.471 176.870 0.112 0.000 1.083 65 L CA 0.261 55.095 54.840 -0.010 0.000 0.790 65 L CB -0.247 41.690 42.059 -0.204 0.000 0.942 65 L HN -0.058 nan 8.230 nan 0.000 0.452 66 V N 0.533 120.420 119.914 -0.045 0.000 2.407 66 V HA -0.192 3.928 4.120 -0.000 0.000 0.248 66 V C 2.606 178.744 176.094 0.072 0.000 1.055 66 V CA 2.027 64.346 62.300 0.032 0.000 1.049 66 V CB -1.215 30.571 31.823 -0.061 0.000 0.662 66 V HN 0.564 nan 8.190 nan 0.000 0.455 67 G N -0.477 108.339 108.800 0.027 0.000 2.443 67 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.219 67 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.219 67 G C 1.486 176.415 174.900 0.048 0.000 1.131 67 G CA 0.785 45.909 45.100 0.039 0.000 0.775 67 G HN 0.627 nan 8.290 nan 0.000 0.547 68 A N -0.449 122.424 122.820 0.088 0.000 2.238 68 A HA 0.482 4.802 4.320 -0.000 0.000 0.208 68 A C 1.933 179.511 177.584 -0.009 0.000 1.177 68 A CA 1.243 53.329 52.037 0.083 0.000 0.804 68 A CB -0.382 18.738 19.000 0.200 0.000 0.823 68 A HN 1.524 nan 8.150 nan 0.000 0.482 69 G N -2.382 106.435 108.800 0.029 0.000 2.176 69 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.232 69 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.232 69 G C -0.022 174.855 174.900 -0.039 0.000 0.986 69 G CA 0.057 45.146 45.100 -0.018 0.000 0.643 69 G HN 0.401 nan 8.290 nan 0.000 0.522 70 Y N 0.720 121.053 120.300 0.055 0.000 2.411 70 Y HA 0.393 4.943 4.550 -0.000 0.000 0.333 70 Y C 1.157 177.104 175.900 0.078 0.000 1.186 70 Y CA 0.281 58.413 58.100 0.054 0.000 1.381 70 Y CB 0.717 39.188 38.460 0.018 0.000 1.273 70 Y HN 0.089 nan 8.280 nan 0.000 0.546 71 K N 3.116 123.653 120.400 0.228 0.000 2.315 71 K HA 0.360 4.680 4.320 -0.000 0.000 0.291 71 K C -1.510 175.228 176.600 0.230 0.000 1.074 71 K CA -0.111 56.295 56.287 0.199 0.000 0.936 71 K CB -0.032 32.547 32.500 0.132 0.000 1.049 71 K HN 0.484 nan 8.250 nan 0.000 0.471 72 V N 3.215 123.238 119.914 0.180 0.000 2.555 72 V HA 0.613 4.733 4.120 -0.000 0.000 0.302 72 V C -0.335 175.633 176.094 -0.209 0.000 1.038 72 V CA -0.924 61.411 62.300 0.057 0.000 0.887 72 V CB 1.490 33.397 31.823 0.139 0.000 0.991 72 V HN 0.885 nan 8.190 nan 0.000 0.434 73 A N 5.563 128.093 122.820 -0.482 0.000 2.350 73 A HA 0.952 5.272 4.320 -0.000 0.000 0.324 73 A C -0.714 176.491 177.584 -0.632 0.000 1.118 73 A CA -0.633 50.883 52.037 -0.870 0.000 0.783 73 A CB 1.696 19.811 19.000 -1.475 0.000 1.236 73 A HN 0.905 nan 8.150 nan 0.000 0.457 74 M N 2.172 121.319 119.600 -0.756 0.000 2.393 74 M HA 0.735 5.215 4.480 -0.000 0.000 0.299 74 M C -2.208 173.747 176.300 -0.575 0.000 1.103 74 M CA -0.432 54.616 55.300 -0.420 0.000 0.910 74 M CB 1.291 33.850 32.600 -0.069 0.000 1.659 74 M HN 0.600 nan 8.290 nan 0.000 0.445 75 F N 2.286 122.225 119.950 -0.018 0.000 2.495 75 F HA 0.560 5.087 4.527 -0.000 0.000 0.327 75 F C -0.174 175.621 175.800 -0.009 0.000 1.103 75 F CA -0.529 57.479 58.000 0.013 0.000 0.949 75 F CB 1.507 40.494 39.000 -0.021 0.000 1.142 75 F HN 0.451 nan 8.300 nan 0.000 0.457 76 D N 2.892 123.387 120.400 0.158 0.000 2.879 76 D HA 0.245 4.885 4.640 -0.000 0.000 0.236 76 D C 0.476 176.799 176.300 0.037 0.000 1.171 76 D CA -0.315 53.727 54.000 0.070 0.000 0.868 76 D CB 2.562 43.385 40.800 0.039 0.000 1.598 76 D HN 0.653 nan 8.370 nan 0.000 0.497 77 I N 1.931 122.476 120.570 -0.042 0.000 2.546 77 I HA 0.061 4.231 4.170 -0.000 0.000 0.255 77 I C 1.133 177.202 176.117 -0.079 0.000 1.163 77 I CA 0.697 61.925 61.300 -0.120 0.000 1.457 77 I CB 0.184 37.998 38.000 -0.311 0.000 1.092 77 I HN 0.327 nan 8.210 nan 0.000 0.434 78 G N 0.061 108.837 108.800 -0.041 0.000 2.543 78 G HA2 0.362 4.322 3.960 -0.000 0.000 0.290 78 G HA3 0.362 4.322 3.960 -0.000 0.000 0.290 78 G C -0.841 174.077 174.900 0.029 0.000 1.310 78 G CA -0.412 44.692 45.100 0.006 0.000 1.025 78 G HN 0.311 nan 8.290 nan 0.000 0.502 79 E N -1.394 118.829 120.200 0.039 0.000 2.320 79 E HA 0.355 4.705 4.350 -0.000 0.000 0.264 79 E C -0.530 176.094 176.600 0.040 0.000 0.923 79 E CA -0.741 55.684 56.400 0.041 0.000 0.796 79 E CB 2.568 32.296 29.700 0.046 0.000 1.262 79 E HN 0.264 nan 8.360 nan 0.000 0.428 80 I N 2.806 123.397 120.570 0.036 0.000 2.505 80 I HA -0.032 4.138 4.170 -0.000 0.000 0.287 80 I C 0.370 176.514 176.117 0.045 0.000 1.104 80 I CA 0.551 61.873 61.300 0.037 0.000 1.387 80 I CB 0.069 38.086 38.000 0.028 0.000 1.404 80 I HN 0.601 nan 8.210 nan 0.000 0.528 81 D N 1.651 122.084 120.400 0.054 0.000 2.348 81 D HA -0.059 4.581 4.640 -0.000 0.000 0.283 81 D C 1.298 177.646 176.300 0.080 0.000 1.096 81 D CA 0.024 54.062 54.000 0.063 0.000 0.863 81 D CB -0.107 40.731 40.800 0.063 0.000 1.465 81 D HN 0.259 nan 8.370 nan 0.000 0.515 82 S N 0.241 115.994 115.700 0.087 0.000 2.626 82 S HA 0.401 4.871 4.470 -0.000 0.000 0.245 82 S C 1.165 175.833 174.600 0.113 0.000 0.973 82 S CA 0.755 59.023 58.200 0.114 0.000 0.959 82 S CB -0.777 62.489 63.200 0.110 0.000 0.762 82 S HN 0.878 nan 8.310 nan 0.000 0.539 83 G N 0.256 109.110 108.800 0.089 0.000 2.498 83 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.651 83 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.651 83 G C 0.091 175.024 174.900 0.054 0.000 1.284 83 G CA -0.533 44.613 45.100 0.077 0.000 0.950 83 G HN 0.210 nan 8.290 nan 0.000 0.511 84 L N -0.072 121.176 121.223 0.041 0.000 2.395 84 L HA 0.147 4.487 4.340 -0.000 0.000 0.218 84 L C 1.454 178.334 176.870 0.016 0.000 1.130 84 L CA 0.752 55.606 54.840 0.023 0.000 0.826 84 L CB -0.298 41.769 42.059 0.013 0.000 0.941 84 L HN 0.307 nan 8.230 nan 0.000 0.451 85 K N 1.997 122.415 120.400 0.030 0.000 2.262 85 K HA 0.314 4.633 4.320 -0.000 0.000 0.288 85 K C -0.219 176.400 176.600 0.031 0.000 1.090 85 K CA -0.175 56.126 56.287 0.024 0.000 0.918 85 K CB 0.717 33.244 32.500 0.045 0.000 1.139 85 K HN 0.112 nan 8.250 nan 0.000 0.462 86 I N 1.931 122.505 120.570 0.007 0.000 2.598 86 I HA -0.056 4.114 4.170 -0.000 0.000 0.284 86 I C 1.344 177.476 176.117 0.026 0.000 1.140 86 I CA 0.657 61.966 61.300 0.016 0.000 1.420 86 I CB 0.382 38.383 38.000 0.001 0.000 1.387 86 I HN 0.947 nan 8.210 nan 0.000 0.553 87 G N 4.315 113.141 108.800 0.042 0.000 2.153 87 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.252 87 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.252 87 G C 0.293 175.233 174.900 0.067 0.000 0.994 87 G CA 0.109 45.236 45.100 0.044 0.000 0.698 87 G HN 0.963 nan 8.290 nan 0.000 0.521 88 A N -0.527 122.350 122.820 0.095 0.000 2.246 88 A HA 0.664 4.984 4.320 -0.000 0.000 0.291 88 A C 0.516 178.215 177.584 0.191 0.000 1.103 88 A CA -0.354 51.776 52.037 0.154 0.000 0.844 88 A CB 0.361 19.456 19.000 0.157 0.000 1.136 88 A HN 0.603 nan 8.150 nan 0.000 0.500 89 H N 0.228 119.419 119.070 0.200 0.000 2.722 89 H HA 0.146 4.702 4.556 -0.000 0.000 0.328 89 H C 0.620 176.067 175.328 0.198 0.000 1.067 89 H CA 0.588 56.768 56.048 0.220 0.000 1.447 89 H CB 0.949 30.860 29.762 0.248 0.000 1.469 89 H HN 0.667 nan 8.280 nan 0.000 0.544 90 K N 3.308 123.900 120.400 0.320 0.000 2.365 90 K HA -0.085 4.235 4.320 -0.000 0.000 0.199 90 K C 1.648 178.471 176.600 0.372 0.000 1.045 90 K CA 0.592 57.116 56.287 0.394 0.000 0.962 90 K CB 0.374 33.136 32.500 0.436 0.000 0.759 90 K HN 0.411 nan 8.250 nan 0.000 0.469 91 K N 1.028 121.508 120.400 0.135 0.000 2.525 91 K HA 0.003 4.323 4.320 -0.000 0.000 0.192 91 K C 0.269 176.886 176.600 0.028 0.000 1.029 91 K CA 0.330 56.379 56.287 -0.396 0.000 1.029 91 K CB 0.238 32.062 32.500 -1.126 0.000 0.814 91 K HN 0.003 nan 8.250 nan 0.000 0.503 92 N N 1.870 120.707 118.700 0.228 0.000 2.484 92 N HA -0.026 4.714 4.740 -0.000 0.000 0.245 92 N C -0.664 175.136 175.510 0.484 0.000 1.184 92 N CA 0.303 53.558 53.050 0.342 0.000 0.884 92 N CB 0.571 39.279 38.487 0.369 0.000 1.182 92 N HN 0.252 nan 8.380 nan 0.000 0.493 93 T N -4.258 110.548 114.554 0.419 0.000 2.925 93 T HA 0.336 4.685 4.350 -0.000 0.000 0.285 93 T C 1.511 176.446 174.700 0.391 0.000 1.021 93 T CA -0.777 61.529 62.100 0.343 0.000 1.042 93 T CB 1.681 70.685 68.868 0.227 0.000 1.037 93 T HN -0.185 nan 8.240 nan 0.000 0.481 94 V N 1.469 121.534 119.914 0.252 0.000 2.392 94 V HA -0.116 4.004 4.120 -0.000 0.000 0.249 94 V C 2.809 178.976 176.094 0.122 0.000 1.059 94 V CA 2.374 64.797 62.300 0.206 0.000 1.051 94 V CB -0.998 30.852 31.823 0.044 0.000 0.658 94 V HN 1.044 nan 8.190 nan 0.000 0.455 95 E N -0.359 119.849 120.200 0.013 0.000 2.110 95 E HA -0.210 4.140 4.350 -0.000 0.000 0.193 95 E C 1.978 178.518 176.600 -0.100 0.000 0.988 95 E CA 1.650 57.991 56.400 -0.099 0.000 0.804 95 E CB -0.313 29.248 29.700 -0.232 0.000 0.745 95 E HN 0.681 nan 8.360 nan 0.000 0.458 96 Y N 0.611 120.984 120.300 0.121 0.000 2.337 96 Y HA 0.025 4.575 4.550 -0.000 0.000 0.293 96 Y C 2.135 178.065 175.900 0.049 0.000 1.123 96 Y CA 1.146 59.305 58.100 0.097 0.000 1.201 96 Y CB -0.141 38.370 38.460 0.084 0.000 1.011 96 Y HN 0.149 nan 8.280 nan 0.000 0.545 97 Q N -0.156 119.762 119.800 0.195 0.000 2.378 97 Q HA -0.101 4.239 4.340 -0.000 0.000 0.205 97 Q C 1.571 177.639 176.000 0.114 0.000 0.954 97 Q CA 0.758 56.635 55.803 0.123 0.000 0.901 97 Q CB -0.016 28.770 28.738 0.079 0.000 0.981 97 Q HN 0.440 nan 8.270 nan 0.000 0.483 98 K N 0.312 120.777 120.400 0.108 0.000 2.418 98 K HA 0.059 4.379 4.320 -0.000 0.000 0.195 98 K C 0.288 176.932 176.600 0.073 0.000 1.035 98 K CA 0.364 56.696 56.287 0.075 0.000 1.003 98 K CB 0.461 32.992 32.500 0.051 0.000 0.793 98 K HN 0.104 nan 8.250 nan 0.000 0.494 99 N N 0.773 119.538 118.700 0.108 0.000 2.636 99 N HA 0.032 4.772 4.740 -0.000 0.000 0.287 99 N C 0.106 175.734 175.510 0.196 0.000 1.817 99 N CA 0.055 53.180 53.050 0.126 0.000 0.842 99 N CB 0.867 39.420 38.487 0.110 0.000 1.353 99 N HN -0.024 nan 8.380 nan 0.000 0.500 100 I N 1.304 121.963 120.570 0.147 0.000 2.335 100 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 100 I C 1.522 177.721 176.117 0.137 0.000 1.129 100 I CA 1.747 63.126 61.300 0.131 0.000 1.402 100 I CB 0.130 38.160 38.000 0.052 0.000 1.069 100 I HN 0.163 nan 8.210 nan 0.000 0.424 101 D N 0.374 120.841 120.400 0.112 0.000 2.264 101 D HA -0.148 4.492 4.640 -0.000 0.000 0.208 101 D C 1.909 178.273 176.300 0.108 0.000 0.966 101 D CA 0.683 54.736 54.000 0.089 0.000 0.864 101 D CB -0.077 40.765 40.800 0.069 0.000 0.933 101 D HN 0.380 nan 8.370 nan 0.000 0.499 102 K N 0.258 120.764 120.400 0.177 0.000 2.217 102 K HA -0.066 4.253 4.320 -0.000 0.000 0.202 102 K C 1.821 178.521 176.600 0.166 0.000 1.051 102 K CA 0.013 56.423 56.287 0.206 0.000 0.952 102 K CB -0.419 32.270 32.500 0.316 0.000 0.736 102 K HN 0.179 nan 8.250 nan 0.000 0.453 103 F N 1.833 121.759 119.950 -0.039 0.000 2.333 103 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 103 F C 1.930 177.604 175.800 -0.210 0.000 1.083 103 F CA 0.506 58.314 58.000 -0.320 0.000 1.395 103 F CB -0.139 38.643 39.000 -0.363 0.000 1.056 103 F HN -0.300 nan 8.300 nan 0.000 0.529 104 V N 0.582 120.439 119.914 -0.095 0.000 2.317 104 V HA -0.414 3.706 4.120 -0.000 0.000 0.251 104 V C 1.854 177.819 176.094 -0.214 0.000 1.065 104 V CA 2.590 64.802 62.300 -0.147 0.000 1.049 104 V CB -0.979 30.810 31.823 -0.057 0.000 0.651 104 V HN 0.403 nan 8.190 nan 0.000 0.450 105 N N -0.392 118.209 118.700 -0.166 0.000 2.270 105 N HA -0.108 4.632 4.740 -0.000 0.000 0.181 105 N C 1.645 177.016 175.510 -0.232 0.000 1.016 105 N CA 1.101 54.065 53.050 -0.143 0.000 0.870 105 N CB -0.208 38.248 38.487 -0.052 0.000 0.979 105 N HN 0.326 nan 8.380 nan 0.000 0.431 106 V N 1.415 121.089 119.914 -0.401 0.000 2.295 106 V HA -0.224 3.896 4.120 -0.000 0.000 0.246 106 V C 2.060 177.833 176.094 -0.535 0.000 1.049 106 V CA 1.465 63.456 62.300 -0.515 0.000 1.024 106 V CB -0.502 30.767 31.823 -0.924 0.000 0.648 106 V HN 0.309 nan 8.190 nan 0.000 0.447 107 I N -0.302 119.855 120.570 -0.688 0.000 2.142 107 I HA -0.333 3.837 4.170 -0.000 0.000 0.240 107 I C 2.729 178.631 176.117 -0.359 0.000 1.078 107 I CA 1.736 62.681 61.300 -0.592 0.000 1.343 107 I CB -0.482 37.178 38.000 -0.566 0.000 1.046 107 I HN 0.359 nan 8.210 nan 0.000 0.405 108 Q N 0.451 120.102 119.800 -0.249 0.000 2.152 108 Q HA -0.191 4.149 4.340 -0.000 0.000 0.206 108 Q C 2.265 178.199 176.000 -0.110 0.000 0.985 108 Q CA 1.675 57.396 55.803 -0.137 0.000 0.863 108 Q CB -0.517 28.166 28.738 -0.091 0.000 0.904 108 Q HN 0.665 nan 8.270 nan 0.000 0.422 109 G N 0.998 109.722 108.800 -0.127 0.000 2.559 109 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 109 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 109 G C 0.960 175.827 174.900 -0.055 0.000 1.126 109 G CA 0.657 45.711 45.100 -0.077 0.000 0.778 109 G HN 0.492 nan 8.290 nan 0.000 0.543 110 Q N -0.640 119.112 119.800 -0.080 0.000 2.135 110 Q HA 0.413 4.753 4.340 -0.000 0.000 0.231 110 Q C -0.272 175.733 176.000 0.008 0.000 0.817 110 Q CA -0.285 55.507 55.803 -0.017 0.000 1.073 110 Q CB 0.163 28.907 28.738 0.011 0.000 1.176 110 Q HN 0.234 nan 8.270 nan 0.000 0.478 111 L N 2.038 123.248 121.223 -0.023 0.000 2.283 111 L HA 0.512 4.852 4.340 -0.000 0.000 0.281 111 L C -0.915 175.977 176.870 0.037 0.000 1.033 111 L CA -0.760 54.089 54.840 0.015 0.000 0.848 111 L CB 1.159 43.204 42.059 -0.024 0.000 1.226 111 L HN 0.226 nan 8.230 nan 0.000 0.429 112 M N 2.097 121.740 119.600 0.071 0.000 2.129 112 M HA 0.256 4.736 4.480 -0.000 0.000 0.348 112 M C 0.280 176.629 176.300 0.082 0.000 1.116 112 M CA 0.098 55.446 55.300 0.079 0.000 1.022 112 M CB 1.593 34.261 32.600 0.112 0.000 1.599 112 M HN 0.302 nan 8.290 nan 0.000 0.449 113 S N 1.944 117.681 115.700 0.061 0.000 2.552 113 S HA 0.090 4.560 4.470 -0.000 0.000 0.289 113 S C 1.453 176.098 174.600 0.074 0.000 1.304 113 S CA -0.573 57.661 58.200 0.058 0.000 1.063 113 S CB 0.617 63.838 63.200 0.036 0.000 0.848 113 S HN 0.587 nan 8.310 nan 0.000 0.499 114 V N 2.611 122.579 119.914 0.091 0.000 2.283 114 V HA 0.006 4.126 4.120 -0.000 0.000 0.243 114 V C 1.197 177.311 176.094 0.033 0.000 1.039 114 V CA 1.393 63.743 62.300 0.085 0.000 1.016 114 V CB 0.048 31.963 31.823 0.154 0.000 0.650 114 V HN 0.778 nan 8.190 nan 0.000 0.449 115 S N -0.408 115.328 115.700 0.060 0.000 2.776 115 S HA 0.514 4.984 4.470 -0.000 0.000 0.284 115 S C -1.076 173.533 174.600 0.015 0.000 1.160 115 S CA -0.474 57.723 58.200 -0.006 0.000 1.051 115 S CB 1.407 64.573 63.200 -0.056 0.000 1.037 115 S HN 0.022 nan 8.310 nan 0.000 0.485 116 V N 7.897 127.807 119.914 -0.007 0.000 2.347 116 V HA 0.526 4.646 4.120 -0.000 0.000 0.280 116 V C -1.968 174.111 176.094 -0.025 0.000 1.021 116 V CA -1.813 60.480 62.300 -0.011 0.000 0.847 116 V CB 1.274 33.092 31.823 -0.009 0.000 0.990 116 V HN 0.689 nan 8.190 nan 0.000 0.444 117 P HA 0.179 nan 4.420 nan 0.000 0.274 117 P C -0.132 177.143 177.300 -0.041 0.000 1.246 117 P CA -0.163 62.918 63.100 -0.033 0.000 0.795 117 P CB 0.903 32.584 31.700 -0.032 0.000 1.006 118 V N 2.349 122.242 119.914 -0.036 0.000 2.673 118 V HA -0.036 4.084 4.120 -0.000 0.000 0.303 118 V C 1.288 177.329 176.094 -0.088 0.000 1.046 118 V CA 0.189 62.463 62.300 -0.043 0.000 1.126 118 V CB -0.522 31.298 31.823 -0.004 0.000 0.934 118 V HN 0.625 nan 8.190 nan 0.000 0.487 119 N N 3.175 121.816 118.700 -0.098 0.000 2.488 119 N HA 0.106 4.846 4.740 -0.000 0.000 0.274 119 N C 0.518 175.866 175.510 -0.270 0.000 1.111 119 N CA 0.345 53.314 53.050 -0.136 0.000 0.974 119 N CB 1.538 39.975 38.487 -0.082 0.000 1.089 119 N HN 0.871 nan 8.380 nan 0.000 0.465 120 T N 0.946 115.230 114.554 -0.450 0.000 3.252 120 T HA 0.272 4.622 4.350 -0.000 0.000 0.286 120 T C 0.780 175.121 174.700 -0.599 0.000 1.013 120 T CA -0.462 60.991 62.100 -1.079 0.000 0.914 120 T CB -0.427 67.821 68.868 -1.034 0.000 1.131 120 T HN 0.281 nan 8.240 nan 0.000 0.529 121 L N 1.818 122.915 121.223 -0.210 0.000 2.453 121 L HA 0.356 4.696 4.340 -0.000 0.000 0.272 121 L C 0.111 177.054 176.870 0.122 0.000 1.182 121 L CA -0.703 54.114 54.840 -0.038 0.000 0.858 121 L CB 0.841 42.894 42.059 -0.010 0.000 1.120 121 L HN 0.079 nan 8.230 nan 0.000 0.474 122 V N 4.556 124.545 119.914 0.126 0.000 2.385 122 V HA 0.158 4.278 4.120 -0.000 0.000 0.269 122 V C 0.162 176.319 176.094 0.106 0.000 1.043 122 V CA -0.446 61.962 62.300 0.180 0.000 0.906 122 V CB 1.492 33.403 31.823 0.146 0.000 0.995 122 V HN 0.417 nan 8.190 nan 0.000 0.467 123 V N 5.431 125.406 119.914 0.103 0.000 2.275 123 V HA 0.302 4.421 4.120 -0.000 0.000 0.272 123 V C 0.299 176.419 176.094 0.044 0.000 1.028 123 V CA -0.448 61.891 62.300 0.065 0.000 0.810 123 V CB 1.127 32.992 31.823 0.069 0.000 1.043 123 V HN 1.055 nan 8.190 nan 0.000 0.453 124 D N 1.867 122.286 120.400 0.033 0.000 2.462 124 D HA -0.002 4.638 4.640 -0.000 0.000 0.221 124 D C 1.192 177.499 176.300 0.012 0.000 1.173 124 D CA 0.272 54.282 54.000 0.016 0.000 0.831 124 D CB 0.384 41.193 40.800 0.014 0.000 1.001 124 D HN 0.545 nan 8.370 nan 0.000 0.499 125 T N -1.822 112.743 114.554 0.018 0.000 3.266 125 T HA 0.319 4.669 4.350 -0.000 0.000 0.278 125 T C 0.646 175.358 174.700 0.020 0.000 1.010 125 T CA -0.595 61.515 62.100 0.016 0.000 0.909 125 T CB -0.366 68.513 68.868 0.017 0.000 1.122 125 T HN 0.024 nan 8.240 nan 0.000 0.536 126 L N 2.074 123.310 121.223 0.021 0.000 2.483 126 L HA 0.258 4.598 4.340 -0.000 0.000 0.276 126 L C 1.175 178.055 176.870 0.018 0.000 1.213 126 L CA -0.459 54.398 54.840 0.027 0.000 0.843 126 L CB 0.410 42.488 42.059 0.033 0.000 1.107 126 L HN 0.289 nan 8.230 nan 0.000 0.487 127 S N 2.644 118.358 115.700 0.023 0.000 2.558 127 S HA 0.037 4.507 4.470 -0.000 0.000 0.291 127 S C -1.370 173.236 174.600 0.010 0.000 1.306 127 S CA -0.954 57.256 58.200 0.017 0.000 1.056 127 S CB 0.719 63.934 63.200 0.024 0.000 0.836 127 S HN 0.407 nan 8.310 nan 0.000 0.504 128 P HA -0.085 nan 4.420 nan 0.000 0.220 128 P C 1.346 178.643 177.300 -0.005 0.000 1.144 128 P CA 1.408 64.503 63.100 -0.010 0.000 0.800 128 P CB -0.164 31.530 31.700 -0.010 0.000 0.772 129 T N -5.817 108.744 114.554 0.011 0.000 3.067 129 T HA 0.101 4.451 4.350 -0.000 0.000 0.261 129 T C 1.012 175.740 174.700 0.046 0.000 1.110 129 T CA 0.051 62.165 62.100 0.023 0.000 1.113 129 T CB -0.556 68.328 68.868 0.027 0.000 0.917 129 T HN -0.106 nan 8.240 nan 0.000 0.499 130 S N 1.367 117.098 115.700 0.052 0.000 2.564 130 S HA 0.268 4.738 4.470 -0.000 0.000 0.278 130 S C -0.557 174.112 174.600 0.116 0.000 1.333 130 S CA -0.969 57.289 58.200 0.098 0.000 1.048 130 S CB 0.111 63.367 63.200 0.094 0.000 0.900 130 S HN 0.595 nan 8.310 nan 0.000 0.505 131 W N 3.306 124.616 121.300 0.017 0.000 2.347 131 W HA 0.144 4.804 4.660 -0.000 0.000 0.333 131 W C 0.315 176.852 176.519 0.031 0.000 1.383 131 W CA 0.349 57.705 57.345 0.018 0.000 1.283 131 W CB 0.141 29.613 29.460 0.019 0.000 1.253 131 W HN 0.541 nan 8.180 nan 0.000 0.563 132 Q N 5.384 124.857 119.800 -0.545 0.000 2.337 132 Q HA 0.597 4.937 4.340 -0.000 0.000 0.270 132 Q C -0.519 174.994 176.000 -0.810 0.000 1.043 132 Q CA -0.844 54.712 55.803 -0.410 0.000 0.794 132 Q CB 1.637 30.224 28.738 -0.252 0.000 1.281 132 Q HN 0.599 nan 8.270 nan 0.000 0.446 133 A N 2.427 125.000 122.820 -0.411 0.000 2.425 133 A HA 0.241 4.561 4.320 -0.000 0.000 0.242 133 A C 0.463 177.885 177.584 -0.270 0.000 1.077 133 A CA -0.003 51.874 52.037 -0.266 0.000 0.781 133 A CB 0.684 19.862 19.000 0.296 0.000 1.020 133 A HN 0.883 nan 8.150 nan 0.000 0.494 134 S N -0.664 114.906 115.700 -0.216 0.000 2.503 134 S HA 0.137 4.607 4.470 -0.000 0.000 0.215 134 S C 0.782 175.284 174.600 -0.164 0.000 1.003 134 S CA 0.773 58.863 58.200 -0.183 0.000 0.910 134 S CB -0.038 63.074 63.200 -0.147 0.000 0.790 134 S HN 1.106 nan 8.310 nan 0.000 0.514 135 T N -1.323 113.178 114.554 -0.088 0.000 2.865 135 T HA 0.635 4.985 4.350 -0.000 0.000 0.294 135 T C -0.922 173.735 174.700 -0.071 0.000 1.119 135 T CA -0.721 61.324 62.100 -0.092 0.000 1.007 135 T CB 0.701 69.619 68.868 0.083 0.000 1.225 135 T HN -0.091 nan 8.240 nan 0.000 0.515 136 F N 2.918 122.949 119.950 0.135 0.000 2.605 136 F HA 0.395 4.922 4.527 -0.000 0.000 0.352 136 F C 0.345 176.199 175.800 0.090 0.000 1.236 136 F CA -1.845 56.192 58.000 0.062 0.000 1.267 136 F CB -0.976 38.036 39.000 0.019 0.000 1.632 136 F HN 0.555 nan 8.300 nan 0.000 0.639 137 F N -0.820 119.242 119.950 0.186 0.000 2.362 137 F HA 0.642 5.169 4.527 -0.000 0.000 0.311 137 F C -0.113 175.763 175.800 0.127 0.000 1.161 137 F CA -1.629 56.454 58.000 0.137 0.000 1.085 137 F CB -0.055 39.019 39.000 0.122 0.000 1.311 137 F HN -0.189 nan 8.300 nan 0.000 0.524 138 V N 2.844 122.908 119.914 0.250 0.000 2.421 138 V HA 0.267 4.387 4.120 -0.000 0.000 0.271 138 V C 0.068 176.183 176.094 0.035 0.000 1.031 138 V CA -0.068 62.289 62.300 0.095 0.000 1.032 138 V CB -0.585 31.316 31.823 0.130 0.000 1.009 138 V HN 0.686 nan 8.190 nan 0.000 0.477 139 R N 4.018 124.436 120.500 -0.138 0.000 2.778 139 R HA 0.501 4.841 4.340 -0.000 0.000 0.277 139 R C 0.330 176.599 176.300 -0.052 0.000 0.977 139 R CA -0.868 55.150 56.100 -0.136 0.000 0.950 139 R CB 0.997 31.116 30.300 -0.302 0.000 1.165 139 R HN 0.685 nan 8.270 nan 0.000 0.474 140 N N 0.807 119.497 118.700 -0.017 0.000 2.735 140 N HA -0.192 4.548 4.740 -0.000 0.000 0.248 140 N C 0.429 175.935 175.510 -0.006 0.000 1.083 140 N CA 1.497 54.541 53.050 -0.011 0.000 0.703 140 N CB -1.255 37.219 38.487 -0.021 0.000 1.005 140 N HN 1.078 nan 8.380 nan 0.000 0.550 141 G N -1.887 106.914 108.800 0.002 0.000 2.148 141 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 141 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 141 G C 0.325 175.227 174.900 0.002 0.000 0.981 141 G CA 0.936 46.040 45.100 0.006 0.000 0.670 141 G HN 1.312 nan 8.290 nan 0.000 0.528 142 S N -0.701 114.995 115.700 -0.006 0.000 2.600 142 S HA 0.521 4.991 4.470 -0.000 0.000 0.265 142 S C 0.111 174.705 174.600 -0.009 0.000 1.325 142 S CA 0.048 58.240 58.200 -0.014 0.000 1.002 142 S CB 1.774 64.958 63.200 -0.027 0.000 0.921 142 S HN 0.657 nan 8.310 nan 0.000 0.554 143 N N 1.628 120.315 118.700 -0.023 0.000 2.558 143 N HA 0.375 5.115 4.740 -0.000 0.000 0.242 143 N C -1.782 173.713 175.510 -0.025 0.000 0.979 143 N CA -2.499 50.529 53.050 -0.037 0.000 0.931 143 N CB 1.399 39.836 38.487 -0.082 0.000 1.122 143 N HN 0.370 nan 8.380 nan 0.000 0.508 144 P HA -0.049 nan 4.420 nan 0.000 0.230 144 P C 0.311 177.632 177.300 0.036 0.000 1.158 144 P CA 0.799 63.917 63.100 0.029 0.000 0.769 144 P CB 0.603 32.336 31.700 0.056 0.000 0.807 145 E N -0.022 120.184 120.200 0.010 0.000 2.274 145 E HA -0.114 4.236 4.350 -0.000 0.000 0.194 145 E C 0.967 177.575 176.600 0.014 0.000 0.996 145 E CA 0.657 57.079 56.400 0.036 0.000 0.840 145 E CB -0.183 29.471 29.700 -0.077 0.000 0.772 145 E HN 0.323 nan 8.360 nan 0.000 0.491 146 Q N 2.274 122.047 119.800 -0.046 0.000 2.314 146 Q HA 0.032 4.372 4.340 -0.000 0.000 0.257 146 Q C -0.883 175.125 176.000 0.014 0.000 0.975 146 Q CA -0.227 55.549 55.803 -0.045 0.000 0.933 146 Q CB 0.791 29.487 28.738 -0.071 0.000 1.195 146 Q HN -0.196 nan 8.270 nan 0.000 0.426 147 D N 6.123 126.553 120.400 0.050 0.000 2.358 147 D HA 0.047 4.687 4.640 -0.000 0.000 0.258 147 D C -1.686 174.630 176.300 0.028 0.000 1.223 147 D CA -1.865 52.163 54.000 0.046 0.000 0.886 147 D CB 1.253 42.096 40.800 0.070 0.000 1.120 147 D HN 0.435 nan 8.370 nan 0.000 0.482 148 P HA -0.078 nan 4.420 nan 0.000 0.226 148 P C 1.255 178.554 177.300 -0.000 0.000 1.153 148 P CA 0.654 63.751 63.100 -0.006 0.000 0.777 148 P CB 0.313 31.996 31.700 -0.028 0.000 0.794 149 L N -1.224 120.003 121.223 0.007 0.000 2.592 149 L HA 0.173 4.513 4.340 -0.000 0.000 0.227 149 L C 1.502 178.383 176.870 0.019 0.000 1.127 149 L CA 0.286 55.130 54.840 0.007 0.000 0.884 149 L CB -0.200 41.859 42.059 0.001 0.000 1.065 149 L HN -0.168 nan 8.230 nan 0.000 0.457 150 R N -0.269 120.254 120.500 0.037 0.000 2.734 150 R HA 0.207 4.547 4.340 -0.000 0.000 0.395 150 R C -0.407 175.950 176.300 0.095 0.000 1.096 150 R CA -0.272 55.863 56.100 0.059 0.000 1.071 150 R CB 0.322 30.660 30.300 0.063 0.000 1.348 150 R HN 0.042 nan 8.270 nan 0.000 0.600 151 N N 0.527 119.258 118.700 0.053 0.000 2.483 151 N HA 0.367 5.107 4.740 -0.000 0.000 0.285 151 N C -0.656 174.772 175.510 -0.137 0.000 1.210 151 N CA -0.621 52.445 53.050 0.027 0.000 0.931 151 N CB 1.174 39.673 38.487 0.020 0.000 1.220 151 N HN 0.087 nan 8.380 nan 0.000 0.542 152 L N 2.044 123.022 121.223 -0.408 0.000 2.494 152 L HA 0.208 4.548 4.340 -0.000 0.000 0.251 152 L C 1.415 178.095 176.870 -0.317 0.000 1.119 152 L CA -0.275 54.207 54.840 -0.597 0.000 1.026 152 L CB 0.368 41.672 42.059 -1.258 0.000 1.370 152 L HN 0.636 nan 8.230 nan 0.000 0.426 153 S N -0.305 115.303 115.700 -0.152 0.000 2.447 153 S HA -0.106 4.364 4.470 -0.000 0.000 0.233 153 S C 1.794 176.354 174.600 -0.067 0.000 1.006 153 S CA 0.940 59.098 58.200 -0.070 0.000 0.957 153 S CB -0.108 63.063 63.200 -0.049 0.000 0.773 153 S HN 0.633 nan 8.310 nan 0.000 0.507 154 G N 0.478 109.219 108.800 -0.100 0.000 2.623 154 G HA2 0.067 4.027 3.960 -0.000 0.000 0.214 154 G HA3 0.067 4.027 3.960 -0.000 0.000 0.214 154 G C 0.622 175.489 174.900 -0.056 0.000 1.138 154 G CA -0.239 44.816 45.100 -0.076 0.000 0.794 154 G HN 0.392 nan 8.290 nan 0.000 0.535 155 Q N 0.568 120.311 119.800 -0.096 0.000 2.315 155 Q HA 0.471 4.811 4.340 -0.000 0.000 0.289 155 Q C -0.093 175.938 176.000 0.052 0.000 1.044 155 Q CA 0.398 56.182 55.803 -0.032 0.000 0.920 155 Q CB 1.303 29.998 28.738 -0.072 0.000 1.214 155 Q HN 0.301 nan 8.270 nan 0.000 0.392 156 A N 1.887 124.751 122.820 0.073 0.000 2.606 156 A HA 0.710 5.030 4.320 -0.000 0.000 0.293 156 A C -1.004 176.641 177.584 0.103 0.000 1.082 156 A CA -0.551 51.537 52.037 0.085 0.000 0.685 156 A CB 1.298 20.341 19.000 0.071 0.000 1.284 156 A HN 0.471 nan 8.150 nan 0.000 0.408 157 V N -1.996 117.988 119.914 0.116 0.000 3.001 157 V HA 0.957 5.077 4.120 -0.000 0.000 0.314 157 V C -0.432 175.755 176.094 0.155 0.000 1.099 157 V CA -0.545 61.839 62.300 0.141 0.000 0.989 157 V CB 1.688 33.617 31.823 0.177 0.000 1.040 157 V HN 0.897 nan 8.190 nan 0.000 0.434 158 T N 2.693 117.341 114.554 0.157 0.000 2.809 158 T HA 0.551 4.901 4.350 -0.000 0.000 0.284 158 T C -0.333 174.429 174.700 0.102 0.000 0.992 158 T CA -0.434 61.750 62.100 0.141 0.000 0.957 158 T CB 0.970 69.945 68.868 0.178 0.000 0.942 158 T HN 0.760 nan 8.240 nan 0.000 0.439 159 R N 2.731 123.280 120.500 0.082 0.000 2.423 159 R HA 0.588 4.928 4.340 -0.000 0.000 0.293 159 R C -0.638 175.685 176.300 0.039 0.000 1.196 159 R CA -0.583 55.537 56.100 0.034 0.000 1.262 159 R CB 0.714 31.011 30.300 -0.005 0.000 1.116 159 R HN 0.510 nan 8.270 nan 0.000 0.566 160 V N -1.775 118.160 119.914 0.035 0.000 3.120 160 V HA 0.424 4.544 4.120 -0.000 0.000 0.303 160 V C 0.009 176.119 176.094 0.026 0.000 1.238 160 V CA -1.174 61.148 62.300 0.037 0.000 1.008 160 V CB 1.941 33.793 31.823 0.048 0.000 1.064 160 V HN 0.126 nan 8.190 nan 0.000 0.434 161 V N 3.522 123.453 119.914 0.029 0.000 2.557 161 V HA 0.470 4.590 4.120 -0.000 0.000 0.301 161 V C 1.758 177.864 176.094 0.020 0.000 1.026 161 V CA 1.956 64.272 62.300 0.027 0.000 1.137 161 V CB -0.005 31.838 31.823 0.033 0.000 0.917 161 V HN 2.128 nan 8.190 nan 0.000 0.484 162 G N 3.135 111.940 108.800 0.009 0.000 2.194 162 G HA2 0.012 3.971 3.960 -0.000 0.000 0.236 162 G HA3 0.012 3.971 3.960 -0.000 0.000 0.236 162 G C 1.007 175.869 174.900 -0.064 0.000 0.987 162 G CA 0.288 45.378 45.100 -0.018 0.000 0.635 162 G HN 2.155 nan 8.290 nan 0.000 0.520 163 G N 0.106 108.882 108.800 -0.041 0.000 2.582 163 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.288 163 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.288 163 G C 1.177 176.003 174.900 -0.125 0.000 1.247 163 G CA 1.259 46.327 45.100 -0.053 0.000 0.972 163 G HN 1.096 nan 8.290 nan 0.000 0.557 164 M N 1.512 121.000 119.600 -0.186 0.000 2.476 164 M HA 0.009 4.489 4.480 -0.000 0.000 0.262 164 M C 2.728 178.653 176.300 -0.625 0.000 1.079 164 M CA 1.696 56.741 55.300 -0.424 0.000 1.104 164 M CB -0.196 32.257 32.600 -0.244 0.000 1.409 164 M HN 0.736 nan 8.290 nan 0.000 0.467 165 S N -0.244 115.141 115.700 -0.526 0.000 2.547 165 S HA -0.083 4.387 4.470 -0.000 0.000 0.235 165 S C 1.710 176.124 174.600 -0.310 0.000 0.980 165 S CA 1.281 59.053 58.200 -0.713 0.000 0.941 165 S CB -0.993 61.808 63.200 -0.664 0.000 0.763 165 S HN 0.587 nan 8.310 nan 0.000 0.532 166 T N -0.722 113.665 114.554 -0.278 0.000 3.085 166 T HA 0.000 4.350 4.350 -0.000 0.000 0.263 166 T C 1.405 175.901 174.700 -0.340 0.000 1.127 166 T CA 0.945 62.913 62.100 -0.220 0.000 1.103 166 T CB -0.701 68.141 68.868 -0.043 0.000 0.921 166 T HN 0.923 nan 8.240 nan 0.000 0.510 167 H N -2.037 116.914 119.070 -0.199 0.000 3.680 167 H HA 0.202 4.757 4.556 -0.000 0.000 0.260 167 H C 0.603 176.074 175.328 0.239 0.000 1.183 167 H CA -1.022 55.052 56.048 0.045 0.000 1.159 167 H CB -0.436 29.367 29.762 0.069 0.000 1.567 167 H HN 0.475 nan 8.280 nan 0.000 0.648 168 W N 3.673 124.881 121.300 -0.154 0.000 2.042 168 W HA 0.240 4.900 4.660 -0.000 0.000 0.358 168 W C 0.499 177.013 176.519 -0.009 0.000 1.325 168 W CA 0.560 57.898 57.345 -0.011 0.000 1.311 168 W CB -0.251 29.157 29.460 -0.086 0.000 1.210 168 W HN 0.027 nan 8.180 nan 0.000 0.620 169 T N -2.356 112.009 114.554 -0.315 0.000 3.122 169 T HA 0.161 4.511 4.350 -0.000 0.000 0.250 169 T C 0.851 175.053 174.700 -0.830 0.000 1.067 169 T CA 0.387 62.100 62.100 -0.644 0.000 0.966 169 T CB -1.150 67.408 68.868 -0.516 0.000 1.002 169 T HN 0.728 nan 8.240 nan 0.000 0.542 170 C N 0.869 119.287 119.300 -1.469 0.000 4.392 170 C HA -0.088 4.372 4.460 -0.000 0.000 0.280 170 C C 1.300 175.793 174.990 -0.828 0.000 1.381 170 C CA -0.415 57.549 59.018 -1.755 0.000 1.871 170 C CB -2.864 24.339 27.740 -0.896 0.000 1.323 170 C HN 1.016 nan 8.230 nan 0.000 0.772 171 A N 1.121 123.660 122.820 -0.469 0.000 2.404 171 A HA 0.535 4.855 4.320 -0.000 0.000 0.273 171 A C 0.798 178.298 177.584 -0.139 0.000 1.144 171 A CA 1.121 53.043 52.037 -0.190 0.000 0.806 171 A CB 0.171 19.138 19.000 -0.055 0.000 1.080 171 A HN 1.349 nan 8.150 nan 0.000 0.509 172 T N 1.666 116.159 114.554 -0.103 0.000 3.504 172 T HA 0.510 4.860 4.350 -0.000 0.000 0.286 172 T C -2.706 171.958 174.700 -0.059 0.000 1.530 172 T CA -1.453 60.624 62.100 -0.038 0.000 1.652 172 T CB 0.604 69.483 68.868 0.018 0.000 0.895 172 T HN 0.460 nan 8.240 nan 0.000 0.674 173 P HA 0.378 nan 4.420 nan 0.000 0.277 173 P C -0.180 176.986 177.300 -0.224 0.000 1.240 173 P CA -0.653 62.361 63.100 -0.144 0.000 0.798 173 P CB 1.175 32.774 31.700 -0.168 0.000 0.979 174 R N 0.959 121.237 120.500 -0.370 0.000 2.641 174 R HA 0.342 4.682 4.340 -0.000 0.000 0.269 174 R C 0.103 176.275 176.300 -0.212 0.000 1.074 174 R CA -0.314 55.375 56.100 -0.685 0.000 1.133 174 R CB 0.096 29.863 30.300 -0.890 0.000 1.029 174 R HN 0.382 nan 8.270 nan 0.000 0.488 175 F N 2.034 121.756 119.950 -0.381 0.000 2.412 175 F HA 0.043 4.570 4.527 -0.000 0.000 0.348 175 F C 0.962 176.579 175.800 -0.305 0.000 1.102 175 F CA -1.596 56.212 58.000 -0.320 0.000 1.196 175 F CB 0.301 39.112 39.000 -0.315 0.000 1.144 175 F HN 0.542 nan 8.300 nan 0.000 0.541 176 D N 2.579 122.905 120.400 -0.124 0.000 2.371 176 D HA 0.079 4.719 4.640 -0.000 0.000 0.242 176 D C 1.018 177.233 176.300 -0.142 0.000 1.218 176 D CA -0.378 53.547 54.000 -0.124 0.000 0.945 176 D CB 0.590 41.333 40.800 -0.095 0.000 1.137 176 D HN 0.507 nan 8.370 nan 0.000 0.464 177 R N -0.062 120.380 120.500 -0.097 0.000 2.117 177 R HA -0.201 4.139 4.340 -0.000 0.000 0.243 177 R C 2.001 178.252 176.300 -0.083 0.000 1.143 177 R CA 1.719 57.770 56.100 -0.083 0.000 0.968 177 R CB -0.290 29.995 30.300 -0.025 0.000 0.863 177 R HN 0.687 nan 8.270 nan 0.000 0.444 178 E N 0.709 120.859 120.200 -0.084 0.000 2.209 178 E HA -0.220 4.129 4.350 -0.000 0.000 0.196 178 E C 1.557 178.064 176.600 -0.154 0.000 0.993 178 E CA 1.180 57.541 56.400 -0.065 0.000 0.819 178 E CB 0.215 29.931 29.700 0.027 0.000 0.745 178 E HN 0.415 nan 8.360 nan 0.000 0.477 179 Q N -0.641 118.976 119.800 -0.306 0.000 2.378 179 Q HA 0.122 4.462 4.340 -0.000 0.000 0.216 179 Q C 0.387 176.303 176.000 -0.140 0.000 0.892 179 Q CA -0.157 55.406 55.803 -0.400 0.000 0.931 179 Q CB 0.641 28.855 28.738 -0.872 0.000 1.086 179 Q HN -0.048 nan 8.270 nan 0.000 0.528 180 R N 1.913 122.358 120.500 -0.091 0.000 2.368 180 R HA 0.262 4.602 4.340 -0.000 0.000 0.302 180 R C -2.535 173.741 176.300 -0.041 0.000 1.002 180 R CA -2.032 54.002 56.100 -0.111 0.000 0.929 180 R CB 0.768 30.829 30.300 -0.398 0.000 1.073 180 R HN -0.148 nan 8.270 nan 0.000 0.464 181 P HA -0.020 nan 4.420 nan 0.000 0.267 181 P C -0.749 176.729 177.300 0.297 0.000 1.200 181 P CA 0.091 63.293 63.100 0.169 0.000 0.772 181 P CB 0.493 32.329 31.700 0.227 0.000 0.855 182 L N 3.099 124.465 121.223 0.238 0.000 2.367 182 L HA 0.162 4.502 4.340 -0.000 0.000 0.275 182 L C 1.504 178.536 176.870 0.270 0.000 1.129 182 L CA -0.051 54.992 54.840 0.339 0.000 0.839 182 L CB 0.240 42.548 42.059 0.416 0.000 1.133 182 L HN 0.398 nan 8.230 nan 0.000 0.453 183 L N 3.403 124.822 121.223 0.327 0.000 2.575 183 L HA 0.227 4.567 4.340 -0.000 0.000 0.228 183 L C -0.130 176.929 176.870 0.315 0.000 1.075 183 L CA 0.200 55.120 54.840 0.132 0.000 0.867 183 L CB 0.731 42.675 42.059 -0.192 0.000 1.097 183 L HN 0.319 nan 8.230 nan 0.000 0.485 184 V N 1.349 121.466 119.914 0.337 0.000 2.588 184 V HA 0.220 4.340 4.120 -0.000 0.000 0.304 184 V C -0.382 175.811 176.094 0.165 0.000 1.042 184 V CA -1.018 61.413 62.300 0.219 0.000 0.877 184 V CB 1.996 33.886 31.823 0.111 0.000 0.996 184 V HN 0.150 nan 8.190 nan 0.000 0.425 185 K N 2.446 122.757 120.400 -0.147 0.000 2.249 185 K HA 0.350 4.670 4.320 -0.000 0.000 0.280 185 K C -0.452 176.084 176.600 -0.105 0.000 1.033 185 K CA -0.332 55.796 56.287 -0.266 0.000 0.946 185 K CB 0.743 32.817 32.500 -0.710 0.000 1.005 185 K HN 0.628 nan 8.250 nan 0.000 0.469 186 D N 0.760 121.137 120.400 -0.038 0.000 2.837 186 D HA -0.159 4.481 4.640 -0.000 0.000 0.230 186 D C -0.904 175.398 176.300 0.003 0.000 1.152 186 D CA 1.469 55.460 54.000 -0.015 0.000 0.736 186 D CB -0.809 39.968 40.800 -0.039 0.000 1.084 186 D HN 0.782 nan 8.370 nan 0.000 0.429 187 D N -1.290 119.126 120.400 0.027 0.000 2.337 187 D HA 0.446 5.086 4.640 -0.000 0.000 0.238 187 D C 0.883 177.219 176.300 0.059 0.000 1.331 187 D CA 0.143 54.163 54.000 0.035 0.000 0.967 187 D CB 0.667 41.482 40.800 0.024 0.000 1.382 187 D HN -0.015 nan 8.370 nan 0.000 0.549 188 A N 2.882 125.738 122.820 0.059 0.000 1.933 188 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 188 A C 1.599 179.230 177.584 0.079 0.000 1.175 188 A CA 1.353 53.434 52.037 0.074 0.000 0.628 188 A CB 0.018 19.054 19.000 0.060 0.000 0.814 188 A HN 0.444 nan 8.150 nan 0.000 0.444 189 D N 0.095 120.531 120.400 0.060 0.000 2.117 189 D HA -0.015 4.625 4.640 -0.000 0.000 0.198 189 D C 2.253 178.592 176.300 0.065 0.000 0.982 189 D CA 1.486 55.522 54.000 0.058 0.000 0.828 189 D CB -0.451 40.375 40.800 0.042 0.000 0.967 189 D HN 0.404 nan 8.370 nan 0.000 0.464 190 A N 0.782 123.637 122.820 0.058 0.000 1.902 190 A HA -0.224 4.095 4.320 -0.000 0.000 0.217 190 A C 1.984 179.613 177.584 0.075 0.000 1.181 190 A CA 2.106 54.174 52.037 0.052 0.000 0.623 190 A CB -0.693 18.331 19.000 0.040 0.000 0.818 190 A HN 0.196 nan 8.150 nan 0.000 0.443 191 D N -0.356 120.113 120.400 0.115 0.000 2.097 191 D HA -0.149 4.491 4.640 -0.000 0.000 0.195 191 D C 1.320 177.778 176.300 0.264 0.000 0.989 191 D CA 1.537 55.653 54.000 0.192 0.000 0.827 191 D CB -0.151 40.789 40.800 0.233 0.000 0.966 191 D HN 0.347 nan 8.370 nan 0.000 0.456 192 D N -0.172 120.349 120.400 0.203 0.000 2.117 192 D HA -0.116 4.524 4.640 -0.000 0.000 0.197 192 D C 2.017 178.426 176.300 0.181 0.000 0.987 192 D CA 1.384 55.507 54.000 0.204 0.000 0.829 192 D CB -0.565 40.311 40.800 0.126 0.000 0.961 192 D HN 0.317 nan 8.370 nan 0.000 0.460 193 A N 0.748 123.636 122.820 0.114 0.000 1.908 193 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 193 A C 2.171 179.783 177.584 0.048 0.000 1.181 193 A CA 1.975 54.055 52.037 0.071 0.000 0.627 193 A CB -0.559 18.466 19.000 0.042 0.000 0.818 193 A HN 0.155 nan 8.150 nan 0.000 0.445 194 E N -1.012 119.198 120.200 0.017 0.000 2.028 194 E HA -0.185 4.165 4.350 -0.000 0.000 0.191 194 E C 1.700 178.211 176.600 -0.148 0.000 0.988 194 E CA 1.523 57.859 56.400 -0.107 0.000 0.799 194 E CB -0.382 29.203 29.700 -0.191 0.000 0.755 194 E HN 0.734 nan 8.360 nan 0.000 0.447 195 W N 0.750 122.016 121.300 -0.057 0.000 2.338 195 W HA -0.164 4.496 4.660 -0.000 0.000 0.304 195 W C 2.201 178.721 176.519 0.002 0.000 1.212 195 W CA 1.284 58.567 57.345 -0.103 0.000 1.264 195 W CB -0.390 29.052 29.460 -0.031 0.000 1.142 195 W HN 0.240 nan 8.180 nan 0.000 0.512 196 D N -0.087 120.482 120.400 0.283 0.000 2.117 196 D HA -0.206 4.433 4.640 -0.000 0.000 0.197 196 D C 2.136 178.511 176.300 0.125 0.000 0.987 196 D CA 1.457 55.588 54.000 0.218 0.000 0.829 196 D CB -0.221 40.664 40.800 0.142 0.000 0.961 196 D HN -0.026 nan 8.370 nan 0.000 0.460 197 R N -0.440 120.088 120.500 0.046 0.000 2.081 197 R HA -0.061 4.279 4.340 -0.000 0.000 0.235 197 R C 2.424 178.688 176.300 -0.061 0.000 1.131 197 R CA 1.074 57.163 56.100 -0.018 0.000 0.960 197 R CB -0.219 30.050 30.300 -0.051 0.000 0.856 197 R HN 0.262 nan 8.270 nan 0.000 0.436 198 L N -0.790 120.366 121.223 -0.111 0.000 2.072 198 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 198 L C 2.255 179.064 176.870 -0.103 0.000 1.079 198 L CA 0.994 55.714 54.840 -0.200 0.000 0.752 198 L CB -0.570 41.259 42.059 -0.383 0.000 0.906 198 L HN 0.181 nan 8.230 nan 0.000 0.436 199 Y N 0.500 120.809 120.300 0.016 0.000 2.224 199 Y HA -0.234 4.316 4.550 -0.000 0.000 0.289 199 Y C 2.882 178.764 175.900 -0.030 0.000 1.146 199 Y CA 1.484 59.598 58.100 0.024 0.000 1.182 199 Y CB -1.144 37.363 38.460 0.078 0.000 0.983 199 Y HN 0.134 nan 8.280 nan 0.000 0.524 200 T N -0.310 114.317 114.554 0.122 0.000 2.746 200 T HA -0.224 4.126 4.350 -0.000 0.000 0.267 200 T C 1.997 176.665 174.700 -0.052 0.000 1.039 200 T CA 1.747 63.868 62.100 0.036 0.000 1.142 200 T CB -0.175 68.705 68.868 0.020 0.000 0.866 200 T HN 0.233 nan 8.240 nan 0.000 0.444 201 K N 0.793 121.108 120.400 -0.142 0.000 2.026 201 K HA -0.009 4.311 4.320 -0.000 0.000 0.208 201 K C 2.549 178.844 176.600 -0.507 0.000 1.048 201 K CA 1.155 57.232 56.287 -0.349 0.000 0.929 201 K CB -0.313 31.941 32.500 -0.411 0.000 0.713 201 K HN 0.265 nan 8.250 nan 0.000 0.439 202 A N 1.330 123.962 122.820 -0.314 0.000 1.883 202 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 202 A C 1.848 179.437 177.584 0.008 0.000 1.186 202 A CA 1.876 53.795 52.037 -0.195 0.000 0.624 202 A CB -0.576 18.419 19.000 -0.009 0.000 0.822 202 A HN 0.471 nan 8.150 nan 0.000 0.444 203 E N -0.553 119.695 120.200 0.080 0.000 2.118 203 E HA -0.177 4.172 4.350 -0.000 0.000 0.195 203 E C 2.268 178.944 176.600 0.125 0.000 0.992 203 E CA 1.338 57.823 56.400 0.141 0.000 0.804 203 E CB -0.184 29.572 29.700 0.092 0.000 0.741 203 E HN 0.617 nan 8.360 nan 0.000 0.458 204 S N -0.519 115.203 115.700 0.037 0.000 2.383 204 S HA -0.154 4.316 4.470 -0.000 0.000 0.227 204 S C 1.793 176.516 174.600 0.206 0.000 1.026 204 S CA 0.835 59.080 58.200 0.076 0.000 0.981 204 S CB -0.187 63.024 63.200 0.019 0.000 0.818 204 S HN 0.267 nan 8.310 nan 0.000 0.472 205 Y N 0.199 120.505 120.300 0.011 0.000 2.181 205 Y HA 0.066 4.616 4.550 -0.000 0.000 0.288 205 Y C 1.990 177.915 175.900 0.042 0.000 1.146 205 Y CA 0.283 58.356 58.100 -0.044 0.000 1.164 205 Y CB -1.040 37.307 38.460 -0.190 0.000 0.982 205 Y HN 0.335 nan 8.280 nan 0.000 0.515 206 F N 0.110 120.211 119.950 0.252 0.000 2.743 206 F HA 0.050 4.577 4.527 -0.000 0.000 0.297 206 F C 0.788 176.695 175.800 0.178 0.000 1.131 206 F CA 0.152 58.292 58.000 0.234 0.000 1.426 206 F CB -0.274 38.886 39.000 0.267 0.000 1.116 206 F HN -0.017 nan 8.300 nan 0.000 0.583 207 Q N 0.501 120.485 119.800 0.307 0.000 2.463 207 Q HA -0.188 4.152 4.340 -0.000 0.000 0.299 207 Q C 0.062 176.147 176.000 0.141 0.000 1.353 207 Q CA 0.714 56.625 55.803 0.180 0.000 0.828 207 Q CB -2.674 26.146 28.738 0.138 0.000 1.157 207 Q HN 0.207 nan 8.270 nan 0.000 0.436 208 T N 0.007 114.660 114.554 0.164 0.000 2.916 208 T HA 0.460 4.810 4.350 -0.000 0.000 0.303 208 T C 0.777 175.510 174.700 0.055 0.000 1.025 208 T CA 0.601 62.764 62.100 0.106 0.000 1.142 208 T CB 1.276 70.216 68.868 0.120 0.000 0.947 208 T HN 0.494 nan 8.240 nan 0.000 0.544 209 G N 0.647 109.464 108.800 0.028 0.000 2.708 209 G HA2 0.553 4.513 3.960 -0.000 0.000 0.289 209 G HA3 0.553 4.513 3.960 -0.000 0.000 0.289 209 G C 0.036 174.945 174.900 0.016 0.000 1.416 209 G CA -0.542 44.566 45.100 0.013 0.000 0.829 209 G HN 0.626 nan 8.290 nan 0.000 0.480 210 T N -2.441 112.123 114.554 0.017 0.000 3.288 210 T HA 0.269 4.619 4.350 -0.000 0.000 0.293 210 T C 0.143 174.860 174.700 0.029 0.000 1.008 210 T CA 0.530 62.650 62.100 0.033 0.000 0.929 210 T CB 0.354 69.247 68.868 0.042 0.000 1.152 210 T HN 0.523 nan 8.240 nan 0.000 0.517 211 D N 0.341 120.739 120.400 -0.003 0.000 2.500 211 D HA 0.039 4.679 4.640 -0.000 0.000 0.217 211 D C 1.304 177.544 176.300 -0.100 0.000 1.159 211 D CA -0.047 53.933 54.000 -0.034 0.000 0.828 211 D CB 0.012 40.786 40.800 -0.042 0.000 1.039 211 D HN 0.277 nan 8.370 nan 0.000 0.512 212 Q N -0.289 119.448 119.800 -0.106 0.000 2.291 212 Q HA 0.111 4.451 4.340 -0.000 0.000 0.205 212 Q C 0.384 176.025 176.000 -0.597 0.000 0.970 212 Q CA 0.968 56.585 55.803 -0.309 0.000 0.876 212 Q CB -0.267 28.282 28.738 -0.316 0.000 0.935 212 Q HN 0.270 nan 8.270 nan 0.000 0.455 213 F N 0.185 119.980 119.950 -0.259 0.000 2.708 213 F HA 0.232 4.759 4.527 -0.000 0.000 0.300 213 F C 1.277 176.891 175.800 -0.310 0.000 1.118 213 F CA -0.522 57.293 58.000 -0.308 0.000 1.307 213 F CB 0.292 39.059 39.000 -0.389 0.000 0.986 213 F HN 0.010 nan 8.300 nan 0.000 0.522 214 K N 0.155 120.472 120.400 -0.139 0.000 2.211 214 K HA -0.071 4.249 4.320 -0.000 0.000 0.203 214 K C 0.752 177.327 176.600 -0.043 0.000 1.050 214 K CA 1.454 57.725 56.287 -0.026 0.000 0.945 214 K CB -0.130 32.344 32.500 -0.043 0.000 0.732 214 K HN 0.271 nan 8.250 nan 0.000 0.451 215 E N 1.675 121.732 120.200 -0.238 0.000 2.437 215 E HA 0.017 4.367 4.350 -0.000 0.000 0.189 215 E C -0.343 176.195 176.600 -0.104 0.000 1.054 215 E CA -0.116 56.000 56.400 -0.472 0.000 0.874 215 E CB 0.671 29.982 29.700 -0.649 0.000 1.011 215 E HN 0.214 nan 8.360 nan 0.000 0.474 216 S N 0.937 116.687 115.700 0.084 0.000 2.505 216 S HA 0.154 4.624 4.470 -0.000 0.000 0.276 216 S C 1.255 175.976 174.600 0.200 0.000 1.274 216 S CA -0.441 57.852 58.200 0.156 0.000 1.053 216 S CB 0.403 63.746 63.200 0.239 0.000 0.919 216 S HN 0.145 nan 8.310 nan 0.000 0.490 217 I N 5.049 125.604 120.570 -0.025 0.000 2.179 217 I HA -0.161 4.009 4.170 -0.000 0.000 0.242 217 I C 2.680 178.636 176.117 -0.268 0.000 1.088 217 I CA 1.158 62.179 61.300 -0.464 0.000 1.357 217 I CB -0.176 37.310 38.000 -0.855 0.000 1.051 217 I HN 0.695 nan 8.210 nan 0.000 0.409 218 R N -0.550 119.881 120.500 -0.114 0.000 2.081 218 R HA -0.224 4.116 4.340 -0.000 0.000 0.235 218 R C 2.368 178.700 176.300 0.054 0.000 1.131 218 R CA 1.667 57.748 56.100 -0.032 0.000 0.960 218 R CB -0.619 29.675 30.300 -0.009 0.000 0.856 218 R HN 0.418 nan 8.270 nan 0.000 0.436 219 H N 1.164 120.265 119.070 0.052 0.000 2.290 219 H HA -0.060 4.496 4.556 -0.000 0.000 0.298 219 H C 1.748 177.154 175.328 0.130 0.000 1.087 219 H CA 1.941 58.043 56.048 0.090 0.000 1.291 219 H CB -0.113 29.737 29.762 0.146 0.000 1.369 219 H HN 0.119 nan 8.280 nan 0.000 0.492 220 N N 0.040 118.830 118.700 0.151 0.000 2.270 220 N HA -0.121 4.619 4.740 -0.000 0.000 0.181 220 N C 2.039 177.680 175.510 0.219 0.000 1.016 220 N CA 0.978 54.157 53.050 0.216 0.000 0.870 220 N CB -0.215 38.597 38.487 0.542 0.000 0.979 220 N HN 0.311 nan 8.380 nan 0.000 0.431 221 L N 1.356 122.731 121.223 0.253 0.000 2.012 221 L HA -0.129 4.211 4.340 -0.000 0.000 0.210 221 L C 2.130 179.052 176.870 0.086 0.000 1.073 221 L CA 1.397 56.383 54.840 0.243 0.000 0.748 221 L CB -0.569 41.592 42.059 0.169 0.000 0.891 221 L HN -0.123 nan 8.230 nan 0.000 0.431 222 V N -0.769 119.148 119.914 0.004 0.000 2.307 222 V HA -0.245 3.874 4.120 -0.000 0.000 0.245 222 V C 2.436 178.448 176.094 -0.136 0.000 1.045 222 V CA 1.636 63.903 62.300 -0.055 0.000 1.024 222 V CB -0.666 31.105 31.823 -0.086 0.000 0.651 222 V HN 0.517 nan 8.190 nan 0.000 0.449 223 L N 0.997 122.105 121.223 -0.191 0.000 2.012 223 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 223 L C 2.218 179.012 176.870 -0.126 0.000 1.073 223 L CA 2.138 56.858 54.840 -0.199 0.000 0.748 223 L CB -0.902 41.019 42.059 -0.230 0.000 0.891 223 L HN 0.312 nan 8.230 nan 0.000 0.431 224 N N -0.123 118.553 118.700 -0.041 0.000 2.120 224 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 224 N C 1.843 177.333 175.510 -0.033 0.000 1.024 224 N CA 1.428 54.473 53.050 -0.008 0.000 0.852 224 N CB -0.314 38.194 38.487 0.035 0.000 1.003 224 N HN 0.318 nan 8.380 nan 0.000 0.424 225 K N 1.165 121.542 120.400 -0.039 0.000 2.062 225 K HA 0.102 4.422 4.320 -0.000 0.000 0.205 225 K C 1.925 178.481 176.600 -0.074 0.000 1.051 225 K CA 0.759 57.027 56.287 -0.033 0.000 0.941 225 K CB -0.334 32.164 32.500 -0.003 0.000 0.719 225 K HN 0.099 nan 8.250 nan 0.000 0.440 226 L N 0.114 121.218 121.223 -0.198 0.000 2.056 226 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 226 L C 2.210 178.923 176.870 -0.262 0.000 1.078 226 L CA 1.602 56.218 54.840 -0.373 0.000 0.749 226 L CB -0.738 40.685 42.059 -1.060 0.000 0.901 226 L HN 0.235 nan 8.230 nan 0.000 0.433 227 T N -0.836 113.591 114.554 -0.213 0.000 2.684 227 T HA -0.267 4.083 4.350 -0.000 0.000 0.267 227 T C 1.783 176.557 174.700 0.123 0.000 1.036 227 T CA 1.740 63.899 62.100 0.098 0.000 1.148 227 T CB -0.141 68.784 68.868 0.095 0.000 0.863 227 T HN 0.390 nan 8.240 nan 0.000 0.436 228 E N 0.524 120.751 120.200 0.045 0.000 2.047 228 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 228 E C 2.213 178.830 176.600 0.028 0.000 0.987 228 E CA 0.906 57.325 56.400 0.032 0.000 0.799 228 E CB 0.065 29.763 29.700 -0.003 0.000 0.752 228 E HN 0.362 nan 8.360 nan 0.000 0.449 229 E N -0.260 119.945 120.200 0.009 0.000 2.106 229 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 229 E C 1.773 178.290 176.600 -0.138 0.000 0.984 229 E CA 0.954 57.303 56.400 -0.084 0.000 0.806 229 E CB -0.174 29.437 29.700 -0.148 0.000 0.750 229 E HN 0.475 nan 8.360 nan 0.000 0.458 230 Y N 0.399 120.751 120.300 0.088 0.000 2.519 230 Y HA 0.035 4.585 4.550 -0.000 0.000 0.287 230 Y C 0.728 176.684 175.900 0.093 0.000 1.128 230 Y CA 0.365 58.543 58.100 0.130 0.000 1.282 230 Y CB 0.186 38.806 38.460 0.267 0.000 1.027 230 Y HN -0.126 nan 8.280 nan 0.000 0.551 231 K N 0.238 120.739 120.400 0.169 0.000 3.156 231 K HA -0.261 4.059 4.320 -0.000 0.000 0.266 231 K C 1.021 177.690 176.600 0.116 0.000 0.966 231 K CA 0.611 56.961 56.287 0.106 0.000 0.719 231 K CB -1.551 30.980 32.500 0.052 0.000 1.333 231 K HN 0.665 nan 8.250 nan 0.000 0.468 232 G N -0.524 108.364 108.800 0.147 0.000 2.234 232 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.260 232 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.260 232 G C 0.781 175.747 174.900 0.110 0.000 0.987 232 G CA 0.664 45.833 45.100 0.115 0.000 0.625 232 G HN 0.518 nan 8.290 nan 0.000 0.532 233 Q N -0.346 119.541 119.800 0.146 0.000 2.170 233 Q HA 0.022 4.362 4.340 -0.000 0.000 0.203 233 Q C 1.346 177.390 176.000 0.072 0.000 0.976 233 Q CA 1.063 56.943 55.803 0.129 0.000 0.858 233 Q CB 0.064 28.909 28.738 0.178 0.000 0.907 233 Q HN 0.575 nan 8.270 nan 0.000 0.433 234 R N 0.651 121.179 120.500 0.047 0.000 2.686 234 R HA 0.355 4.695 4.340 -0.000 0.000 0.283 234 R C -1.327 174.869 176.300 -0.172 0.000 0.978 234 R CA -0.611 55.362 56.100 -0.212 0.000 0.897 234 R CB 1.601 31.498 30.300 -0.673 0.000 1.192 234 R HN -0.021 nan 8.270 nan 0.000 0.457 235 D N 2.146 122.392 120.400 -0.257 0.000 2.192 235 D HA 0.388 5.028 4.640 -0.000 0.000 0.246 235 D C -0.652 175.429 176.300 -0.365 0.000 1.042 235 D CA -0.028 53.887 54.000 -0.143 0.000 0.847 235 D CB 1.436 42.212 40.800 -0.040 0.000 1.186 235 D HN 0.170 nan 8.370 nan 0.000 0.461 236 F N 0.937 120.894 119.950 0.011 0.000 2.522 236 F HA 0.358 4.885 4.527 -0.000 0.000 0.324 236 F C 0.646 176.466 175.800 0.034 0.000 1.077 236 F CA -0.632 57.371 58.000 0.007 0.000 0.944 236 F CB 1.848 40.848 39.000 -0.001 0.000 1.175 236 F HN 0.208 nan 8.300 nan 0.000 0.468 237 Q N 0.291 120.218 119.800 0.210 0.000 2.648 237 Q HA 0.339 4.679 4.340 -0.000 0.000 0.300 237 Q C -1.568 174.556 176.000 0.207 0.000 0.954 237 Q CA -1.293 54.614 55.803 0.173 0.000 0.757 237 Q CB 1.796 30.598 28.738 0.107 0.000 1.482 237 Q HN 0.621 nan 8.270 nan 0.000 0.437 238 Q N 0.992 120.929 119.800 0.229 0.000 2.337 238 Q HA 0.223 4.563 4.340 -0.000 0.000 0.270 238 Q C -0.473 175.602 176.000 0.125 0.000 1.002 238 Q CA -0.208 55.733 55.803 0.232 0.000 0.888 238 Q CB 0.526 29.357 28.738 0.154 0.000 1.222 238 Q HN 0.599 nan 8.270 nan 0.000 0.400 239 I N 6.567 127.194 120.570 0.095 0.000 2.821 239 I HA -0.099 4.071 4.170 -0.000 0.000 0.294 239 I C -1.978 174.162 176.117 0.039 0.000 1.210 239 I CA -1.176 60.156 61.300 0.054 0.000 1.430 239 I CB 0.089 38.095 38.000 0.010 0.000 1.356 239 I HN 0.451 nan 8.210 nan 0.000 0.563 240 P HA 0.222 nan 4.420 nan 0.000 0.271 240 P C -0.925 176.368 177.300 -0.011 0.000 1.233 240 P CA 0.160 63.265 63.100 0.009 0.000 0.764 240 P CB 0.457 32.150 31.700 -0.011 0.000 0.825 241 L N 2.449 123.674 121.223 0.002 0.000 2.386 241 L HA 0.636 4.976 4.340 -0.000 0.000 0.271 241 L C 0.271 177.130 176.870 -0.018 0.000 0.993 241 L CA -1.176 53.659 54.840 -0.009 0.000 0.819 241 L CB 2.135 44.252 42.059 0.097 0.000 1.294 241 L HN 0.246 nan 8.230 nan 0.000 0.414 242 A N 3.144 125.911 122.820 -0.088 0.000 2.671 242 A HA 0.761 5.081 4.320 -0.000 0.000 0.306 242 A C 0.028 177.631 177.584 0.033 0.000 1.473 242 A CA 0.124 52.154 52.037 -0.012 0.000 1.155 242 A CB -0.316 18.613 19.000 -0.119 0.000 1.123 242 A HN 0.811 nan 8.150 nan 0.000 0.545 243 A N 1.850 124.663 122.820 -0.011 0.000 2.590 243 A HA 0.736 5.056 4.320 -0.000 0.000 0.294 243 A C -0.533 176.941 177.584 -0.183 0.000 1.046 243 A CA -0.469 51.464 52.037 -0.172 0.000 0.684 243 A CB 0.707 19.446 19.000 -0.436 0.000 1.279 243 A HN 0.675 nan 8.150 nan 0.000 0.415 244 T N 1.304 115.712 114.554 -0.242 0.000 2.881 244 T HA 0.493 4.842 4.350 -0.000 0.000 0.291 244 T C -0.117 174.419 174.700 -0.273 0.000 0.990 244 T CA -0.432 61.551 62.100 -0.194 0.000 0.976 244 T CB 1.262 70.074 68.868 -0.093 0.000 0.970 244 T HN 0.745 nan 8.240 nan 0.000 0.438 245 R N 2.197 122.526 120.500 -0.285 0.000 2.442 245 R HA 0.261 4.600 4.340 -0.000 0.000 0.291 245 R C 0.740 176.943 176.300 -0.162 0.000 1.069 245 R CA -0.352 55.564 56.100 -0.306 0.000 1.022 245 R CB 0.394 30.483 30.300 -0.350 0.000 0.976 245 R HN 0.365 nan 8.270 nan 0.000 0.443 246 R N 1.019 121.475 120.500 -0.072 0.000 2.254 246 R HA 0.143 4.483 4.340 -0.000 0.000 0.193 246 R C 0.096 176.382 176.300 -0.023 0.000 0.929 246 R CA 0.651 56.750 56.100 -0.001 0.000 1.038 246 R CB 0.268 30.633 30.300 0.109 0.000 1.009 246 R HN 0.771 nan 8.270 nan 0.000 0.512 247 S N -1.714 113.970 115.700 -0.027 0.000 2.611 247 S HA 0.368 4.838 4.470 -0.000 0.000 0.268 247 S C -2.634 171.922 174.600 -0.072 0.000 1.156 247 S CA -1.040 57.138 58.200 -0.038 0.000 0.817 247 S CB 2.054 65.253 63.200 -0.000 0.000 1.122 247 S HN -0.255 nan 8.310 nan 0.000 0.466 248 P HA -0.008 nan 4.420 nan 0.000 0.221 248 P C 1.083 178.338 177.300 -0.075 0.000 1.145 248 P CA 1.887 64.930 63.100 -0.094 0.000 0.795 248 P CB -0.150 31.513 31.700 -0.060 0.000 0.775 249 T N -6.800 107.745 114.554 -0.015 0.000 3.084 249 T HA 0.279 4.629 4.350 -0.000 0.000 0.270 249 T C -0.160 174.590 174.700 0.083 0.000 1.008 249 T CA -0.342 61.774 62.100 0.026 0.000 0.900 249 T CB -0.501 68.402 68.868 0.059 0.000 1.084 249 T HN -0.113 nan 8.240 nan 0.000 0.538 250 F N 1.390 121.266 119.950 -0.123 0.000 2.573 250 F HA 0.648 5.175 4.527 -0.000 0.000 0.316 250 F C -1.661 173.997 175.800 -0.238 0.000 1.148 250 F CA -1.102 56.820 58.000 -0.131 0.000 0.940 250 F CB 2.029 40.972 39.000 -0.095 0.000 1.214 250 F HN -0.133 nan 8.300 nan 0.000 0.448 251 V N 5.133 124.501 119.914 -0.911 0.000 2.409 251 V HA 0.272 4.392 4.120 -0.000 0.000 0.291 251 V C -0.387 175.045 176.094 -1.105 0.000 1.020 251 V CA -0.841 60.897 62.300 -0.936 0.000 0.848 251 V CB 1.650 32.755 31.823 -1.197 0.000 0.990 251 V HN 0.732 nan 8.190 nan 0.000 0.430 252 E N 4.641 124.516 120.200 -0.541 0.000 1.932 252 E HA 0.132 4.482 4.350 -0.000 0.000 0.275 252 E C -1.020 175.382 176.600 -0.330 0.000 1.159 252 E CA -0.529 55.725 56.400 -0.243 0.000 0.905 252 E CB 0.378 30.105 29.700 0.044 0.000 1.059 252 E HN 0.630 nan 8.360 nan 0.000 0.400 253 W N 2.886 124.064 121.300 -0.204 0.000 2.216 253 W HA 0.107 4.767 4.660 -0.000 0.000 0.326 253 W C 0.703 177.231 176.519 0.015 0.000 1.319 253 W CA -0.535 56.673 57.345 -0.228 0.000 1.213 253 W CB 0.855 29.944 29.460 -0.619 0.000 1.171 253 W HN 0.309 nan 8.180 nan 0.000 0.557 254 S N 1.669 117.569 115.700 0.334 0.000 2.624 254 S HA 0.603 5.073 4.470 -0.000 0.000 0.263 254 S C 0.129 175.160 174.600 0.718 0.000 1.287 254 S CA -0.540 57.927 58.200 0.445 0.000 0.990 254 S CB 1.126 64.594 63.200 0.447 0.000 0.950 254 S HN 0.515 nan 8.310 nan 0.000 0.561 255 S N -0.481 115.578 115.700 0.599 0.000 2.661 255 S HA 0.667 5.137 4.470 -0.000 0.000 0.268 255 S C 0.733 175.513 174.600 0.300 0.000 1.162 255 S CA -0.335 58.138 58.200 0.455 0.000 0.817 255 S CB 0.515 63.913 63.200 0.331 0.000 1.141 255 S HN 0.745 nan 8.310 nan 0.000 0.477 256 A N 1.725 124.618 122.820 0.122 0.000 1.927 256 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 256 A C 2.028 179.658 177.584 0.075 0.000 1.185 256 A CA 2.319 54.395 52.037 0.065 0.000 0.639 256 A CB -1.613 17.392 19.000 0.009 0.000 0.820 256 A HN 0.895 nan 8.150 nan 0.000 0.451 257 N N -0.684 118.067 118.700 0.085 0.000 2.149 257 N HA -0.161 4.579 4.740 -0.000 0.000 0.188 257 N C 1.528 177.061 175.510 0.039 0.000 1.019 257 N CA 2.072 55.149 53.050 0.044 0.000 0.857 257 N CB -0.248 38.276 38.487 0.060 0.000 0.997 257 N HN 0.487 nan 8.380 nan 0.000 0.426 258 T N 0.479 115.103 114.554 0.117 0.000 2.821 258 T HA -0.044 4.306 4.350 -0.000 0.000 0.267 258 T C 2.087 176.821 174.700 0.056 0.000 1.046 258 T CA 1.036 63.207 62.100 0.119 0.000 1.139 258 T CB -0.174 68.842 68.868 0.247 0.000 0.871 258 T HN 0.055 nan 8.240 nan 0.000 0.454 259 V N -0.327 119.606 119.914 0.033 0.000 2.307 259 V HA 0.107 4.227 4.120 -0.000 0.000 0.245 259 V C 0.561 176.606 176.094 -0.083 0.000 1.045 259 V CA 1.060 63.297 62.300 -0.105 0.000 1.024 259 V CB -0.365 31.351 31.823 -0.179 0.000 0.651 259 V HN 0.487 nan 8.190 nan 0.000 0.449 260 F N 0.899 120.721 119.950 -0.214 0.000 2.605 260 F HA 0.388 4.915 4.527 -0.000 0.000 0.320 260 F C 0.205 175.884 175.800 -0.201 0.000 1.159 260 F CA -1.624 56.221 58.000 -0.259 0.000 0.999 260 F CB 1.426 40.220 39.000 -0.343 0.000 1.258 260 F HN 0.158 nan 8.300 nan 0.000 0.464 261 D N 4.952 124.897 120.400 -0.758 0.000 2.363 261 D HA -0.044 4.596 4.640 -0.000 0.000 0.220 261 D C 1.201 177.242 176.300 -0.432 0.000 0.994 261 D CA 1.045 54.765 54.000 -0.467 0.000 0.890 261 D CB -0.026 40.549 40.800 -0.374 0.000 0.906 261 D HN 0.704 nan 8.370 nan 0.000 0.530 262 L N -2.072 118.744 121.223 -0.677 0.000 4.884 262 L HA -0.237 4.103 4.340 -0.000 0.000 0.430 262 L C -0.169 176.682 176.870 -0.032 0.000 1.087 262 L CA 0.481 55.203 54.840 -0.197 0.000 1.033 262 L CB -1.372 40.698 42.059 0.018 0.000 2.030 262 L HN 0.215 nan 8.230 nan 0.000 0.762 263 Q N 1.088 120.772 119.800 -0.194 0.000 2.352 263 Q HA 0.223 4.562 4.340 -0.000 0.000 0.260 263 Q C 0.376 176.443 176.000 0.112 0.000 0.976 263 Q CA -0.026 55.743 55.803 -0.057 0.000 0.881 263 Q CB 0.624 29.291 28.738 -0.118 0.000 1.235 263 Q HN 0.137 nan 8.270 nan 0.000 0.419 264 N N 2.008 120.766 118.700 0.097 0.000 2.441 264 N HA 0.106 4.846 4.740 -0.000 0.000 0.251 264 N C -0.245 175.331 175.510 0.110 0.000 1.242 264 N CA 0.367 53.481 53.050 0.107 0.000 0.898 264 N CB 0.627 39.082 38.487 -0.054 0.000 1.100 264 N HN 0.267 nan 8.380 nan 0.000 0.443 265 R N 1.055 121.652 120.500 0.162 0.000 2.795 265 R HA 0.505 4.845 4.340 -0.000 0.000 0.275 265 R C -2.459 173.922 176.300 0.134 0.000 0.981 265 R CA -1.571 54.619 56.100 0.149 0.000 0.917 265 R CB 1.960 32.386 30.300 0.211 0.000 1.202 265 R HN 0.392 nan 8.270 nan 0.000 0.469 266 P HA 0.128 nan 4.420 nan 0.000 0.274 266 P C -1.381 175.972 177.300 0.088 0.000 1.231 266 P CA -0.313 62.878 63.100 0.152 0.000 0.790 266 P CB 0.751 32.590 31.700 0.232 0.000 0.951 267 N N -1.116 117.620 118.700 0.060 0.000 3.157 267 N HA 0.253 4.993 4.740 -0.000 0.000 0.291 267 N C 0.658 176.177 175.510 0.015 0.000 1.515 267 N CA -0.738 52.330 53.050 0.029 0.000 0.807 267 N CB -0.624 37.868 38.487 0.009 0.000 1.672 267 N HN 0.053 nan 8.380 nan 0.000 0.592 268 T N -0.667 113.889 114.554 0.002 0.000 2.720 268 T HA -0.114 4.235 4.350 -0.000 0.000 0.268 268 T C 0.327 175.020 174.700 -0.013 0.000 1.037 268 T CA 1.780 63.877 62.100 -0.005 0.000 1.144 268 T CB -0.477 68.385 68.868 -0.010 0.000 0.864 268 T HN 0.514 nan 8.240 nan 0.000 0.444 269 D N 0.908 121.296 120.400 -0.020 0.000 2.317 269 D HA 0.200 4.840 4.640 -0.000 0.000 0.211 269 D C 0.742 177.026 176.300 -0.026 0.000 0.966 269 D CA 0.402 54.385 54.000 -0.028 0.000 0.876 269 D CB 0.102 40.877 40.800 -0.042 0.000 0.927 269 D HN 0.394 nan 8.370 nan 0.000 0.519 270 A N 0.976 123.788 122.820 -0.013 0.000 3.216 270 A HA 0.334 4.654 4.320 -0.000 0.000 0.321 270 A C -1.970 175.625 177.584 0.018 0.000 1.042 270 A CA -0.882 51.155 52.037 -0.000 0.000 0.838 270 A CB 0.997 20.004 19.000 0.012 0.000 1.136 270 A HN -0.161 nan 8.150 nan 0.000 0.483 271 P HA -0.079 nan 4.420 nan 0.000 0.226 271 P C 0.381 177.649 177.300 -0.054 0.000 1.153 271 P CA 1.117 64.213 63.100 -0.006 0.000 0.777 271 P CB 0.445 32.122 31.700 -0.038 0.000 0.794 272 E N -0.235 119.896 120.200 -0.115 0.000 2.548 272 E HA 0.166 4.516 4.350 -0.000 0.000 0.206 272 E C 0.176 176.777 176.600 0.001 0.000 1.005 272 E CA 0.022 56.242 56.400 -0.301 0.000 0.951 272 E CB 0.715 30.210 29.700 -0.342 0.000 1.035 272 E HN 0.481 nan 8.360 nan 0.000 0.470 273 E N 1.054 121.341 120.200 0.146 0.000 2.222 273 E HA 0.502 4.852 4.350 -0.000 0.000 0.267 273 E C -0.284 176.492 176.600 0.293 0.000 0.963 273 E CA -0.640 55.885 56.400 0.208 0.000 0.837 273 E CB 1.649 31.442 29.700 0.155 0.000 1.183 273 E HN -0.142 nan 8.360 nan 0.000 0.403 274 R N 1.655 122.317 120.500 0.271 0.000 2.500 274 R HA 0.423 4.763 4.340 -0.000 0.000 0.299 274 R C -1.674 174.785 176.300 0.266 0.000 1.038 274 R CA -0.531 55.703 56.100 0.224 0.000 0.903 274 R CB 1.038 31.432 30.300 0.157 0.000 1.177 274 R HN 0.396 nan 8.270 nan 0.000 0.455 275 F N 2.275 122.265 119.950 0.066 0.000 2.604 275 F HA 0.440 4.966 4.527 -0.000 0.000 0.316 275 F C -1.714 174.042 175.800 -0.074 0.000 1.136 275 F CA -0.660 57.352 58.000 0.019 0.000 0.989 275 F CB 1.972 41.053 39.000 0.134 0.000 1.258 275 F HN 0.403 nan 8.300 nan 0.000 0.451 276 N N 4.849 122.859 118.700 -1.150 0.000 2.295 276 N HA 0.572 5.312 4.740 -0.000 0.000 0.293 276 N C -2.011 172.463 175.510 -1.726 0.000 1.040 276 N CA -0.657 51.662 53.050 -1.217 0.000 0.840 276 N CB 2.348 40.288 38.487 -0.913 0.000 1.468 276 N HN 0.554 nan 8.380 nan 0.000 0.478 277 L N 2.450 122.902 121.223 -1.285 0.000 2.289 277 L HA 0.630 4.970 4.340 -0.000 0.000 0.285 277 L C -1.601 174.701 176.870 -0.947 0.000 1.049 277 L CA -0.249 54.085 54.840 -0.844 0.000 0.804 277 L CB 0.081 41.999 42.059 -0.234 0.000 1.195 277 L HN 0.467 nan 8.230 nan 0.000 0.428 278 F N 6.264 125.979 119.950 -0.392 0.000 2.434 278 F HA 0.539 5.066 4.527 -0.000 0.000 0.367 278 F C -2.145 173.611 175.800 -0.072 0.000 1.093 278 F CA -2.019 55.848 58.000 -0.223 0.000 1.085 278 F CB 0.835 39.675 39.000 -0.267 0.000 1.322 278 F HN 0.423 nan 8.300 nan 0.000 0.452 279 P HA 0.340 nan 4.420 nan 0.000 0.276 279 P C -0.053 177.306 177.300 0.098 0.000 1.261 279 P CA -0.243 62.903 63.100 0.077 0.000 0.800 279 P CB 1.040 32.763 31.700 0.040 0.000 1.066 280 A N -1.093 121.765 122.820 0.064 0.000 2.791 280 A HA -0.100 4.220 4.320 -0.000 0.000 0.292 280 A C -0.060 177.546 177.584 0.037 0.000 1.487 280 A CA 0.744 52.808 52.037 0.045 0.000 0.760 280 A CB -2.437 16.591 19.000 0.046 0.000 1.031 280 A HN 0.252 nan 8.150 nan 0.000 0.503 281 V N -0.251 119.700 119.914 0.061 0.000 2.409 281 V HA 0.664 4.784 4.120 -0.000 0.000 0.290 281 V C 0.613 176.696 176.094 -0.018 0.000 1.017 281 V CA -0.343 61.986 62.300 0.048 0.000 0.841 281 V CB 1.455 33.398 31.823 0.200 0.000 1.003 281 V HN 1.469 nan 8.190 nan 0.000 0.426 282 A N 4.167 126.940 122.820 -0.079 0.000 2.354 282 A HA 0.448 4.767 4.320 -0.000 0.000 0.281 282 A C 0.137 177.671 177.584 -0.083 0.000 1.174 282 A CA -0.144 51.838 52.037 -0.092 0.000 0.828 282 A CB -0.080 18.899 19.000 -0.033 0.000 1.099 282 A HN 0.870 nan 8.150 nan 0.000 0.516 283 C N 2.944 122.180 119.300 -0.106 0.000 2.325 283 C HA 0.350 4.810 4.460 -0.000 0.000 0.347 283 C C 1.367 176.316 174.990 -0.069 0.000 1.263 283 C CA -0.257 58.688 59.018 -0.121 0.000 1.806 283 C CB -0.375 27.292 27.740 -0.121 0.000 2.405 283 C HN 1.029 nan 8.230 nan 0.000 0.537 284 E N 1.097 121.284 120.200 -0.021 0.000 2.290 284 E HA 0.089 4.438 4.350 -0.000 0.000 0.199 284 E C 0.451 177.063 176.600 0.019 0.000 0.912 284 E CA 0.384 56.802 56.400 0.030 0.000 0.924 284 E CB 0.485 30.264 29.700 0.132 0.000 0.901 284 E HN 0.759 nan 8.360 nan 0.000 0.487 285 R N -0.093 120.430 120.500 0.038 0.000 2.690 285 R HA 0.427 4.767 4.340 -0.000 0.000 0.269 285 R C -0.872 175.420 176.300 -0.013 0.000 1.037 285 R CA -0.834 55.266 56.100 -0.001 0.000 0.877 285 R CB 1.036 31.327 30.300 -0.015 0.000 1.255 285 R HN -0.086 nan 8.270 nan 0.000 0.467 286 V N -0.748 119.138 119.914 -0.048 0.000 2.532 286 V HA 0.642 4.762 4.120 -0.000 0.000 0.295 286 V C -0.014 176.029 176.094 -0.084 0.000 1.041 286 V CA -0.881 61.355 62.300 -0.107 0.000 0.926 286 V CB 1.724 33.436 31.823 -0.185 0.000 0.992 286 V HN 0.507 nan 8.190 nan 0.000 0.457 287 V N 5.416 125.262 119.914 -0.113 0.000 2.364 287 V HA 0.462 4.582 4.120 -0.000 0.000 0.272 287 V C 0.612 176.672 176.094 -0.057 0.000 1.036 287 V CA -0.457 61.798 62.300 -0.076 0.000 0.880 287 V CB 0.813 32.602 31.823 -0.056 0.000 0.991 287 V HN 0.946 nan 8.190 nan 0.000 0.460 288 R N 3.715 124.203 120.500 -0.020 0.000 2.490 288 R HA 0.312 4.652 4.340 -0.000 0.000 0.278 288 R C 0.343 176.667 176.300 0.039 0.000 1.069 288 R CA -0.599 55.545 56.100 0.074 0.000 1.080 288 R CB 0.635 30.973 30.300 0.064 0.000 1.030 288 R HN 0.858 nan 8.270 nan 0.000 0.491 289 N N 1.254 119.989 118.700 0.058 0.000 2.347 289 N HA 0.014 4.754 4.740 -0.000 0.000 0.253 289 N C 0.532 176.030 175.510 -0.020 0.000 1.274 289 N CA 0.083 53.138 53.050 0.009 0.000 0.941 289 N CB 0.447 38.937 38.487 0.005 0.000 1.200 289 N HN 0.568 nan 8.380 nan 0.000 0.514 290 A N 0.242 123.045 122.820 -0.029 0.000 1.972 290 A HA -0.050 4.270 4.320 -0.000 0.000 0.219 290 A C 2.160 179.710 177.584 -0.056 0.000 1.169 290 A CA 0.958 52.972 52.037 -0.038 0.000 0.635 290 A CB -0.773 18.209 19.000 -0.031 0.000 0.810 290 A HN 0.643 nan 8.150 nan 0.000 0.446 291 L N -0.942 120.237 121.223 -0.073 0.000 2.558 291 L HA 0.018 4.358 4.340 -0.000 0.000 0.225 291 L C -0.038 176.728 176.870 -0.174 0.000 1.128 291 L CA -0.031 54.749 54.840 -0.100 0.000 0.868 291 L CB -0.282 41.723 42.059 -0.091 0.000 1.006 291 L HN 0.414 nan 8.230 nan 0.000 0.454 292 N N 0.065 118.641 118.700 -0.206 0.000 2.756 292 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 292 N C 0.872 175.754 175.510 -1.046 0.000 1.062 292 N CA 1.019 53.825 53.050 -0.406 0.000 0.696 292 N CB -1.250 37.133 38.487 -0.173 0.000 0.946 292 N HN 0.511 nan 8.380 nan 0.000 0.548 293 S N -2.045 113.216 115.700 -0.732 0.000 2.559 293 S HA 0.260 4.730 4.470 -0.000 0.000 0.226 293 S C 0.322 174.717 174.600 -0.342 0.000 1.030 293 S CA -0.156 57.679 58.200 -0.608 0.000 0.956 293 S CB 1.595 64.641 63.200 -0.257 0.000 0.900 293 S HN 0.398 nan 8.310 nan 0.000 0.510 294 E N 0.221 120.347 120.200 -0.124 0.000 2.392 294 E HA 0.446 4.796 4.350 -0.000 0.000 0.279 294 E C -1.645 175.137 176.600 0.303 0.000 0.964 294 E CA -0.879 55.641 56.400 0.200 0.000 0.777 294 E CB 1.354 31.128 29.700 0.124 0.000 1.249 294 E HN 0.079 nan 8.360 nan 0.000 0.449 295 I N 3.341 124.039 120.570 0.214 0.000 2.428 295 I HA 0.126 4.296 4.170 -0.000 0.000 0.289 295 I C 0.913 176.965 176.117 -0.108 0.000 1.019 295 I CA 0.097 61.341 61.300 -0.093 0.000 1.351 295 I CB 1.224 38.904 38.000 -0.533 0.000 1.412 295 I HN 0.687 nan 8.210 nan 0.000 0.513 296 E N 3.136 123.276 120.200 -0.100 0.000 2.340 296 E HA 0.082 4.432 4.350 -0.000 0.000 0.198 296 E C 0.284 176.923 176.600 0.066 0.000 0.961 296 E CA 0.362 56.777 56.400 0.024 0.000 0.905 296 E CB 0.573 30.291 29.700 0.030 0.000 0.884 296 E HN 0.719 nan 8.360 nan 0.000 0.491 297 S N -0.354 115.315 115.700 -0.053 0.000 2.615 297 S HA 0.488 4.957 4.470 -0.000 0.000 0.268 297 S C -1.564 173.035 174.600 -0.001 0.000 1.146 297 S CA -1.076 57.179 58.200 0.093 0.000 0.818 297 S CB 1.255 64.516 63.200 0.103 0.000 1.111 297 S HN 0.022 nan 8.310 nan 0.000 0.465 298 L N 1.906 123.219 121.223 0.150 0.000 2.333 298 L HA 0.701 5.041 4.340 -0.000 0.000 0.280 298 L C -0.812 176.085 176.870 0.046 0.000 1.004 298 L CA -0.167 54.715 54.840 0.069 0.000 0.820 298 L CB 1.374 43.495 42.059 0.104 0.000 1.247 298 L HN 1.017 nan 8.230 nan 0.000 0.416 299 H N 5.252 124.282 119.070 -0.066 0.000 2.562 299 H HA 0.652 5.208 4.556 -0.000 0.000 0.314 299 H C -0.564 174.712 175.328 -0.086 0.000 1.079 299 H CA -0.220 55.794 56.048 -0.057 0.000 1.349 299 H CB 0.769 30.503 29.762 -0.047 0.000 1.432 299 H HN 0.664 nan 8.280 nan 0.000 0.479 300 I N 1.439 121.745 120.570 -0.440 0.000 3.002 300 I HA 0.429 4.599 4.170 -0.000 0.000 0.310 300 I C -1.182 174.777 176.117 -0.263 0.000 1.087 300 I CA -1.029 60.075 61.300 -0.327 0.000 1.017 300 I CB 2.629 40.396 38.000 -0.389 0.000 1.226 300 I HN 0.664 nan 8.210 nan 0.000 0.443 301 H N 2.614 121.560 119.070 -0.208 0.000 2.906 301 H HA 0.236 4.792 4.556 -0.000 0.000 0.324 301 H C -1.543 173.774 175.328 -0.019 0.000 0.973 301 H CA -0.676 55.300 56.048 -0.121 0.000 1.321 301 H CB 1.495 31.209 29.762 -0.080 0.000 1.535 301 H HN 0.788 nan 8.280 nan 0.000 0.518 302 D N 5.620 126.025 120.400 0.008 0.000 2.338 302 D HA 0.000 4.640 4.640 -0.000 0.000 0.255 302 D C 1.053 177.215 176.300 -0.231 0.000 1.237 302 D CA -0.108 53.874 54.000 -0.030 0.000 0.883 302 D CB 0.849 41.742 40.800 0.156 0.000 1.087 302 D HN 0.660 nan 8.370 nan 0.000 0.485 303 L N 4.062 125.119 121.223 -0.277 0.000 2.291 303 L HA -0.107 4.233 4.340 -0.000 0.000 0.214 303 L C 1.884 178.703 176.870 -0.085 0.000 1.120 303 L CA 0.189 54.861 54.840 -0.280 0.000 0.799 303 L CB -0.162 41.819 42.059 -0.130 0.000 0.925 303 L HN 0.508 nan 8.230 nan 0.000 0.446 304 I N -0.273 120.283 120.570 -0.024 0.000 2.235 304 I HA -0.159 4.011 4.170 -0.000 0.000 0.241 304 I C 2.758 178.893 176.117 0.029 0.000 1.085 304 I CA 1.754 63.064 61.300 0.016 0.000 1.378 304 I CB -1.242 36.780 38.000 0.037 0.000 1.076 304 I HN 0.292 nan 8.210 nan 0.000 0.415 305 S N 0.264 115.990 115.700 0.044 0.000 2.446 305 S HA 0.122 4.592 4.470 -0.000 0.000 0.225 305 S C 1.837 176.469 174.600 0.052 0.000 1.016 305 S CA 0.821 59.053 58.200 0.053 0.000 0.943 305 S CB 0.056 63.303 63.200 0.079 0.000 0.786 305 S HN 0.599 nan 8.310 nan 0.000 0.508 306 G N 1.004 109.849 108.800 0.074 0.000 2.195 306 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.246 306 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.246 306 G C -0.467 174.505 174.900 0.120 0.000 0.984 306 G CA 0.077 45.271 45.100 0.158 0.000 0.633 306 G HN 0.556 nan 8.290 nan 0.000 0.525 307 D N 0.642 121.052 120.400 0.016 0.000 2.382 307 D HA 0.510 5.150 4.640 -0.000 0.000 0.245 307 D C 0.883 177.027 176.300 -0.260 0.000 1.120 307 D CA 0.305 54.171 54.000 -0.223 0.000 0.890 307 D CB 0.534 41.089 40.800 -0.408 0.000 1.201 307 D HN 0.399 nan 8.370 nan 0.000 0.433 308 R N 1.675 121.911 120.500 -0.441 0.000 2.439 308 R HA 0.479 4.819 4.340 -0.000 0.000 0.310 308 R C -0.803 175.191 176.300 -0.510 0.000 0.955 308 R CA -0.627 55.245 56.100 -0.380 0.000 0.853 308 R CB 1.041 31.187 30.300 -0.256 0.000 1.171 308 R HN 0.272 nan 8.270 nan 0.000 0.449 309 F N 0.298 120.128 119.950 -0.201 0.000 2.611 309 F HA 0.412 4.939 4.527 -0.000 0.000 0.324 309 F C 0.517 176.241 175.800 -0.128 0.000 1.061 309 F CA -0.950 56.977 58.000 -0.122 0.000 0.954 309 F CB 1.699 40.627 39.000 -0.120 0.000 1.301 309 F HN 0.164 nan 8.300 nan 0.000 0.482 310 E N 1.933 122.255 120.200 0.203 0.000 2.183 310 E HA 0.467 4.817 4.350 -0.000 0.000 0.271 310 E C -1.106 175.558 176.600 0.107 0.000 0.919 310 E CA -0.636 55.849 56.400 0.141 0.000 0.781 310 E CB 2.571 32.361 29.700 0.149 0.000 1.140 310 E HN 0.224 nan 8.360 nan 0.000 0.402 311 I N 2.131 122.745 120.570 0.074 0.000 2.474 311 I HA 0.323 4.493 4.170 -0.000 0.000 0.294 311 I C 0.141 176.369 176.117 0.186 0.000 1.005 311 I CA -0.753 60.610 61.300 0.105 0.000 1.113 311 I CB 1.522 39.558 38.000 0.061 0.000 1.289 311 I HN 0.341 nan 8.210 nan 0.000 0.436 312 K N 3.848 124.353 120.400 0.175 0.000 2.156 312 K HA 0.860 5.180 4.320 -0.000 0.000 0.254 312 K C -1.053 175.620 176.600 0.122 0.000 0.950 312 K CA -0.411 55.995 56.287 0.197 0.000 0.849 312 K CB 2.104 34.689 32.500 0.141 0.000 1.100 312 K HN 0.837 nan 8.250 nan 0.000 0.434 313 A N 2.417 125.240 122.820 0.005 0.000 2.587 313 A HA 0.303 4.623 4.320 -0.000 0.000 0.293 313 A C -0.561 176.911 177.584 -0.188 0.000 1.087 313 A CA -0.709 51.198 52.037 -0.217 0.000 0.692 313 A CB 1.212 19.876 19.000 -0.560 0.000 1.291 313 A HN 0.821 nan 8.150 nan 0.000 0.407 314 D N -0.350 119.986 120.400 -0.108 0.000 2.183 314 D HA 0.076 4.716 4.640 -0.000 0.000 0.203 314 D C 0.333 176.528 176.300 -0.175 0.000 0.969 314 D CA 1.735 55.730 54.000 -0.009 0.000 0.842 314 D CB 0.171 41.021 40.800 0.084 0.000 0.957 314 D HN 0.227 nan 8.370 nan 0.000 0.484 315 V N 0.649 120.312 119.914 -0.417 0.000 2.638 315 V HA 0.262 4.382 4.120 -0.000 0.000 0.306 315 V C -1.311 174.516 176.094 -0.446 0.000 1.052 315 V CA -0.890 61.168 62.300 -0.404 0.000 0.885 315 V CB 1.875 33.346 31.823 -0.588 0.000 0.999 315 V HN -0.078 nan 8.190 nan 0.000 0.424 316 Y N 2.998 123.281 120.300 -0.030 0.000 2.341 316 Y HA 0.702 5.252 4.550 -0.000 0.000 0.338 316 Y C -0.088 175.772 175.900 -0.066 0.000 0.965 316 Y CA -0.976 57.095 58.100 -0.048 0.000 1.108 316 Y CB 2.088 40.521 38.460 -0.046 0.000 1.180 316 Y HN 0.348 nan 8.280 nan 0.000 0.458 317 V N 5.476 125.348 119.914 -0.069 0.000 2.487 317 V HA 0.410 4.529 4.120 -0.000 0.000 0.298 317 V C -0.466 175.494 176.094 -0.223 0.000 1.028 317 V CA -0.917 61.227 62.300 -0.259 0.000 0.860 317 V CB 1.692 33.150 31.823 -0.607 0.000 0.991 317 V HN 0.593 nan 8.190 nan 0.000 0.427 318 L N 5.188 126.278 121.223 -0.221 0.000 2.276 318 L HA 0.563 4.903 4.340 -0.000 0.000 0.286 318 L C 0.250 177.020 176.870 -0.167 0.000 1.024 318 L CA -0.209 54.525 54.840 -0.177 0.000 0.826 318 L CB 1.637 43.575 42.059 -0.202 0.000 1.211 318 L HN 0.805 nan 8.230 nan 0.000 0.422 319 T N -1.490 112.999 114.554 -0.109 0.000 3.630 319 T HA 0.391 4.741 4.350 -0.000 0.000 0.238 319 T C 0.589 175.295 174.700 0.010 0.000 1.195 319 T CA -0.195 61.884 62.100 -0.036 0.000 1.433 319 T CB 1.061 69.908 68.868 -0.035 0.000 0.940 319 T HN 0.538 nan 8.240 nan 0.000 0.641 320 A N 0.774 123.610 122.820 0.028 0.000 2.345 320 A HA 0.796 5.116 4.320 -0.000 0.000 0.225 320 A C 1.337 178.998 177.584 0.128 0.000 1.243 320 A CA 0.050 52.127 52.037 0.067 0.000 0.875 320 A CB -0.608 18.426 19.000 0.057 0.000 0.929 320 A HN 1.717 nan 8.150 nan 0.000 0.502 321 G N -2.492 106.380 108.800 0.120 0.000 2.619 321 G HA2 0.286 4.246 3.960 -0.000 0.000 0.686 321 G HA3 0.286 4.246 3.960 -0.000 0.000 0.686 321 G C 0.734 175.730 174.900 0.160 0.000 1.256 321 G CA -0.292 44.884 45.100 0.128 0.000 0.826 321 G HN 1.262 nan 8.290 nan 0.000 0.619 322 A N -0.394 122.508 122.820 0.137 0.000 1.933 322 A HA 0.195 4.515 4.320 -0.000 0.000 0.218 322 A C 2.640 180.314 177.584 0.149 0.000 1.175 322 A CA 3.245 55.361 52.037 0.132 0.000 0.628 322 A CB -0.366 18.685 19.000 0.084 0.000 0.814 322 A HN 1.588 nan 8.150 nan 0.000 0.444 323 V N -0.997 118.961 119.914 0.073 0.000 2.302 323 V HA -0.197 3.923 4.120 -0.000 0.000 0.243 323 V C 2.212 178.343 176.094 0.062 0.000 1.036 323 V CA 2.132 64.450 62.300 0.029 0.000 1.020 323 V CB -1.018 30.705 31.823 -0.166 0.000 0.657 323 V HN 0.741 nan 8.190 nan 0.000 0.453 324 H N -0.266 118.881 119.070 0.129 0.000 2.502 324 H HA -0.021 4.535 4.556 -0.000 0.000 0.283 324 H C 2.254 177.581 175.328 -0.003 0.000 1.015 324 H CA 0.844 56.923 56.048 0.051 0.000 1.298 324 H CB 0.126 29.901 29.762 0.021 0.000 1.411 324 H HN 0.327 nan 8.280 nan 0.000 0.556 325 N N -0.034 118.746 118.700 0.133 0.000 2.069 325 N HA -0.122 4.618 4.740 -0.000 0.000 0.191 325 N C 1.776 177.268 175.510 -0.030 0.000 1.031 325 N CA 1.781 54.839 53.050 0.013 0.000 0.852 325 N CB -0.479 37.996 38.487 -0.020 0.000 1.018 325 N HN 0.322 nan 8.380 nan 0.000 0.423 326 T N 0.906 115.515 114.554 0.092 0.000 2.777 326 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 326 T C 1.845 176.380 174.700 -0.276 0.000 1.040 326 T CA 1.006 63.148 62.100 0.069 0.000 1.141 326 T CB -0.207 68.857 68.868 0.328 0.000 0.868 326 T HN 0.340 nan 8.240 nan 0.000 0.444 327 Q N 0.506 120.027 119.800 -0.465 0.000 2.077 327 Q HA -0.124 4.215 4.340 -0.000 0.000 0.206 327 Q C 2.338 178.068 176.000 -0.450 0.000 0.989 327 Q CA 1.390 56.636 55.803 -0.928 0.000 0.853 327 Q CB -0.347 28.181 28.738 -0.350 0.000 0.907 327 Q HN 0.507 nan 8.270 nan 0.000 0.418 328 L N 0.257 121.347 121.223 -0.222 0.000 2.046 328 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 328 L C 2.255 179.042 176.870 -0.138 0.000 1.077 328 L CA 1.029 55.779 54.840 -0.149 0.000 0.747 328 L CB -0.119 41.872 42.059 -0.114 0.000 0.896 328 L HN 0.328 nan 8.230 nan 0.000 0.432 329 L N -1.506 119.613 121.223 -0.173 0.000 2.056 329 L HA -0.194 4.146 4.340 -0.000 0.000 0.207 329 L C 2.405 179.307 176.870 0.053 0.000 1.078 329 L CA 0.807 55.569 54.840 -0.130 0.000 0.749 329 L CB -0.470 41.404 42.059 -0.308 0.000 0.901 329 L HN 0.088 nan 8.230 nan 0.000 0.433 330 V N -0.147 119.723 119.914 -0.074 0.000 2.515 330 V HA -0.229 3.891 4.120 -0.000 0.000 0.250 330 V C 2.042 178.119 176.094 -0.028 0.000 1.058 330 V CA 1.738 64.025 62.300 -0.021 0.000 1.064 330 V CB -0.652 31.122 31.823 -0.082 0.000 0.675 330 V HN 0.467 nan 8.190 nan 0.000 0.461 331 N N 0.090 118.734 118.700 -0.095 0.000 2.520 331 N HA -0.092 4.647 4.740 -0.000 0.000 0.185 331 N C 1.549 177.046 175.510 -0.022 0.000 1.068 331 N CA 1.062 54.079 53.050 -0.055 0.000 0.911 331 N CB -0.026 38.417 38.487 -0.074 0.000 0.961 331 N HN 0.392 nan 8.380 nan 0.000 0.446 332 S N -1.579 114.132 115.700 0.019 0.000 2.540 332 S HA 0.313 4.783 4.470 -0.000 0.000 0.218 332 S C 1.086 175.673 174.600 -0.023 0.000 0.977 332 S CA 0.258 58.479 58.200 0.035 0.000 0.918 332 S CB 0.602 63.881 63.200 0.132 0.000 0.806 332 S HN 0.512 nan 8.310 nan 0.000 0.496 333 G N 1.179 109.970 108.800 -0.014 0.000 2.141 333 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.231 333 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.231 333 G C -0.096 174.711 174.900 -0.156 0.000 0.984 333 G CA -0.561 44.486 45.100 -0.089 0.000 0.660 333 G HN 0.401 nan 8.290 nan 0.000 0.525 334 F N 0.854 120.783 119.950 -0.034 0.000 2.382 334 F HA 0.538 5.064 4.527 -0.000 0.000 0.331 334 F C 1.652 177.466 175.800 0.024 0.000 1.121 334 F CA 1.070 59.063 58.000 -0.012 0.000 1.183 334 F CB 0.897 39.862 39.000 -0.058 0.000 1.207 334 F HN 0.769 nan 8.300 nan 0.000 0.555 335 G N 2.200 111.145 108.800 0.242 0.000 2.582 335 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.288 335 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.288 335 G C -0.842 174.137 174.900 0.131 0.000 1.247 335 G CA 0.293 45.504 45.100 0.185 0.000 0.972 335 G HN 1.005 nan 8.290 nan 0.000 0.557 336 Q N -1.504 118.380 119.800 0.141 0.000 2.379 336 Q HA 0.756 5.096 4.340 -0.000 0.000 0.278 336 Q C -1.134 174.959 176.000 0.155 0.000 1.068 336 Q CA -1.182 54.687 55.803 0.110 0.000 0.816 336 Q CB 2.244 31.022 28.738 0.066 0.000 1.387 336 Q HN 0.953 nan 8.270 nan 0.000 0.413 337 L N 1.657 122.959 121.223 0.132 0.000 2.350 337 L HA 0.776 5.115 4.340 -0.000 0.000 0.275 337 L C 0.433 177.397 176.870 0.156 0.000 1.099 337 L CA 1.995 56.942 54.840 0.178 0.000 0.808 337 L CB 1.051 43.187 42.059 0.128 0.000 1.149 337 L HN 1.005 nan 8.230 nan 0.000 0.442 338 G N 3.470 112.418 108.800 0.247 0.000 2.655 338 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.680 338 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.680 338 G C -0.609 174.220 174.900 -0.117 0.000 1.302 338 G CA -0.395 44.809 45.100 0.174 0.000 0.872 338 G HN 0.845 nan 8.290 nan 0.000 0.540 339 R N 0.728 120.943 120.500 -0.476 0.000 2.522 339 R HA 0.362 4.702 4.340 -0.000 0.000 0.284 339 R C -1.874 174.009 176.300 -0.696 0.000 1.032 339 R CA -0.649 54.728 56.100 -1.204 0.000 1.049 339 R CB -0.027 29.812 30.300 -0.768 0.000 0.956 339 R HN 0.345 nan 8.270 nan 0.000 0.422 340 P HA -0.070 nan 4.420 nan 0.000 0.265 340 P C -1.267 175.879 177.300 -0.256 0.000 1.187 340 P CA 0.450 63.324 63.100 -0.376 0.000 0.766 340 P CB 0.383 31.877 31.700 -0.342 0.000 0.820 341 N N 2.775 121.384 118.700 -0.151 0.000 2.621 341 N HA 0.145 4.884 4.740 -0.000 0.000 0.271 341 N C -1.881 173.590 175.510 -0.065 0.000 1.181 341 N CA -1.599 51.388 53.050 -0.105 0.000 0.805 341 N CB 1.196 39.627 38.487 -0.093 0.000 1.351 341 N HN 0.149 nan 8.380 nan 0.000 0.539 342 P HA -0.122 nan 4.420 nan 0.000 0.223 342 P C 0.970 178.256 177.300 -0.024 0.000 1.144 342 P CA 0.766 63.845 63.100 -0.034 0.000 0.783 342 P CB 0.303 31.983 31.700 -0.034 0.000 0.771 343 A N -0.294 122.510 122.820 -0.028 0.000 2.067 343 A HA -0.053 4.267 4.320 -0.000 0.000 0.217 343 A C 0.897 178.471 177.584 -0.017 0.000 1.156 343 A CA 0.867 52.891 52.037 -0.021 0.000 0.683 343 A CB -0.813 18.172 19.000 -0.024 0.000 0.808 343 A HN 0.259 nan 8.150 nan 0.000 0.455 344 N N 0.271 118.959 118.700 -0.019 0.000 2.844 344 N HA 0.346 5.086 4.740 -0.000 0.000 0.268 344 N C -3.142 172.364 175.510 -0.007 0.000 1.574 344 N CA -1.018 52.024 53.050 -0.012 0.000 0.838 344 N CB 0.973 39.451 38.487 -0.015 0.000 1.177 344 N HN 0.109 nan 8.380 nan 0.000 0.495 345 P HA 0.087 nan 4.420 nan 0.000 0.267 345 P C -2.328 174.984 177.300 0.020 0.000 1.200 345 P CA -0.661 62.447 63.100 0.013 0.000 0.772 345 P CB 0.053 31.764 31.700 0.018 0.000 0.855 346 P HA 0.114 nan 4.420 nan 0.000 0.274 346 P C 0.323 177.647 177.300 0.040 0.000 1.237 346 P CA -0.043 63.081 63.100 0.040 0.000 0.793 346 P CB 0.893 32.632 31.700 0.065 0.000 0.977 347 E N 0.429 120.646 120.200 0.028 0.000 2.028 347 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 347 E C 0.345 176.972 176.600 0.044 0.000 0.988 347 E CA 1.202 57.615 56.400 0.021 0.000 0.799 347 E CB -0.379 29.320 29.700 -0.002 0.000 0.755 347 E HN 0.380 nan 8.360 nan 0.000 0.447 348 L N 0.905 122.163 121.223 0.058 0.000 2.329 348 L HA 0.348 4.688 4.340 -0.000 0.000 0.279 348 L C -0.239 176.750 176.870 0.198 0.000 1.014 348 L CA -0.833 54.081 54.840 0.123 0.000 0.814 348 L CB 1.221 43.318 42.059 0.062 0.000 1.257 348 L HN 0.110 nan 8.230 nan 0.000 0.424 349 L N 3.301 124.667 121.223 0.239 0.000 3.823 349 L HA -0.184 4.156 4.340 -0.000 0.000 0.525 349 L C -1.449 175.535 176.870 0.191 0.000 1.247 349 L CA -0.521 54.464 54.840 0.241 0.000 0.776 349 L CB -0.940 41.295 42.059 0.294 0.000 1.443 349 L HN 0.600 nan 8.230 nan 0.000 0.831 350 P HA -0.116 nan 4.420 nan 0.000 0.225 350 P C 1.216 178.614 177.300 0.162 0.000 1.148 350 P CA 1.059 64.238 63.100 0.131 0.000 0.779 350 P CB 0.337 32.095 31.700 0.097 0.000 0.780 351 S N -0.757 115.057 115.700 0.189 0.000 2.575 351 S HA 0.090 4.560 4.470 -0.000 0.000 0.215 351 S C 0.752 175.507 174.600 0.260 0.000 0.966 351 S CA -0.456 57.898 58.200 0.257 0.000 0.911 351 S CB -0.636 62.700 63.200 0.227 0.000 0.780 351 S HN 0.060 nan 8.310 nan 0.000 0.514 352 L N 2.446 123.803 121.223 0.224 0.000 2.534 352 L HA 0.397 4.737 4.340 -0.000 0.000 0.271 352 L C 1.139 178.157 176.870 0.246 0.000 1.178 352 L CA 1.192 56.168 54.840 0.227 0.000 0.907 352 L CB -0.435 41.746 42.059 0.203 0.000 1.164 352 L HN 0.332 nan 8.230 nan 0.000 0.482 353 G N 2.332 111.288 108.800 0.261 0.000 2.176 353 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 353 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 353 G C 0.454 175.491 174.900 0.230 0.000 0.979 353 G CA 0.274 45.531 45.100 0.261 0.000 0.641 353 G HN 0.817 nan 8.290 nan 0.000 0.530 354 S N -1.307 114.537 115.700 0.240 0.000 2.681 354 S HA 0.636 5.106 4.470 -0.000 0.000 0.299 354 S C 0.409 175.195 174.600 0.310 0.000 1.113 354 S CA 0.133 58.433 58.200 0.168 0.000 1.013 354 S CB 0.778 64.034 63.200 0.093 0.000 1.076 354 S HN 0.936 nan 8.310 nan 0.000 0.534 355 Y N -0.974 119.401 120.300 0.124 0.000 4.177 355 Y HA -0.203 4.346 4.550 -0.000 0.000 0.227 355 Y C 0.510 176.501 175.900 0.151 0.000 1.154 355 Y CA 0.183 58.355 58.100 0.121 0.000 1.887 355 Y CB -2.204 36.321 38.460 0.109 0.000 1.594 355 Y HN 0.613 nan 8.280 nan 0.000 0.668 356 I N -0.028 120.707 120.570 0.274 0.000 2.696 356 I HA 0.464 4.634 4.170 -0.000 0.000 0.284 356 I C 0.658 176.962 176.117 0.311 0.000 1.129 356 I CA 0.435 61.900 61.300 0.274 0.000 1.410 356 I CB 1.288 39.449 38.000 0.268 0.000 1.399 356 I HN 0.217 nan 8.210 nan 0.000 0.579 357 T N 1.956 116.657 114.554 0.244 0.000 2.876 357 T HA 0.684 5.034 4.350 -0.000 0.000 0.289 357 T C -0.666 174.085 174.700 0.086 0.000 1.014 357 T CA -0.687 61.548 62.100 0.224 0.000 0.986 357 T CB 2.075 71.025 68.868 0.136 0.000 1.021 357 T HN 0.839 nan 8.240 nan 0.000 0.458 358 E N 1.281 121.508 120.200 0.046 0.000 2.356 358 E HA 0.368 4.718 4.350 -0.000 0.000 0.275 358 E C -1.095 175.631 176.600 0.211 0.000 0.904 358 E CA -0.582 55.797 56.400 -0.036 0.000 0.757 358 E CB 2.033 31.491 29.700 -0.404 0.000 1.232 358 E HN 0.715 nan 8.360 nan 0.000 0.442 359 Q N 1.075 121.004 119.800 0.215 0.000 2.299 359 Q HA 0.455 4.795 4.340 -0.000 0.000 0.246 359 Q C -0.455 175.736 176.000 0.320 0.000 0.935 359 Q CA -0.466 55.507 55.803 0.283 0.000 0.887 359 Q CB 1.296 30.227 28.738 0.322 0.000 1.223 359 Q HN 0.476 nan 8.270 nan 0.000 0.439 360 S N 1.547 117.349 115.700 0.170 0.000 2.564 360 S HA 0.334 4.804 4.470 -0.000 0.000 0.278 360 S C -0.675 173.947 174.600 0.036 0.000 1.333 360 S CA -0.487 57.673 58.200 -0.066 0.000 1.048 360 S CB 0.401 63.455 63.200 -0.244 0.000 0.900 360 S HN 0.381 nan 8.310 nan 0.000 0.505 361 L N 4.388 125.595 121.223 -0.026 0.000 2.409 361 L HA 0.698 5.038 4.340 -0.000 0.000 0.272 361 L C -0.896 175.810 176.870 -0.273 0.000 0.980 361 L CA -0.679 54.048 54.840 -0.189 0.000 0.826 361 L CB 1.650 43.569 42.059 -0.234 0.000 1.268 361 L HN 0.474 nan 8.230 nan 0.000 0.407 362 V N 2.150 121.832 119.914 -0.386 0.000 2.628 362 V HA 0.739 4.859 4.120 -0.000 0.000 0.306 362 V C -0.971 174.966 176.094 -0.261 0.000 1.045 362 V CA -0.618 61.373 62.300 -0.515 0.000 0.905 362 V CB 1.530 32.874 31.823 -0.799 0.000 0.997 362 V HN 0.784 nan 8.190 nan 0.000 0.436 363 F N 5.357 125.080 119.950 -0.380 0.000 2.578 363 F HA 0.897 5.424 4.527 -0.000 0.000 0.311 363 F C -0.336 175.339 175.800 -0.208 0.000 1.094 363 F CA -0.327 57.541 58.000 -0.221 0.000 0.923 363 F CB 1.675 40.586 39.000 -0.149 0.000 1.230 363 F HN 1.201 nan 8.300 nan 0.000 0.450 364 C N 2.924 121.646 119.300 -0.964 0.000 3.321 364 C HA 0.765 5.225 4.460 -0.000 0.000 0.329 364 C C -1.738 172.774 174.990 -0.797 0.000 1.394 364 C CA -0.746 57.708 59.018 -0.940 0.000 1.291 364 C CB 1.578 28.981 27.740 -0.562 0.000 1.606 364 C HN 0.958 nan 8.230 nan 0.000 0.463 365 Q N 0.767 120.292 119.800 -0.458 0.000 2.348 365 Q HA 0.785 5.125 4.340 -0.000 0.000 0.271 365 Q C -0.312 175.729 176.000 0.068 0.000 1.067 365 Q CA -0.241 55.524 55.803 -0.064 0.000 0.839 365 Q CB 2.662 31.376 28.738 -0.041 0.000 1.354 365 Q HN 0.940 nan 8.270 nan 0.000 0.447 366 T N -2.633 112.037 114.554 0.193 0.000 2.930 366 T HA 0.707 5.057 4.350 -0.000 0.000 0.290 366 T C -0.605 174.159 174.700 0.106 0.000 1.052 366 T CA -0.738 61.436 62.100 0.124 0.000 1.017 366 T CB 1.245 70.195 68.868 0.138 0.000 1.137 366 T HN 0.263 nan 8.240 nan 0.000 0.511 367 V N 2.441 122.383 119.914 0.046 0.000 2.378 367 V HA 0.402 4.522 4.120 -0.000 0.000 0.288 367 V C 0.221 176.330 176.094 0.025 0.000 1.016 367 V CA -0.889 61.432 62.300 0.035 0.000 0.840 367 V CB 1.142 32.975 31.823 0.016 0.000 0.994 367 V HN 1.022 nan 8.190 nan 0.000 0.431 368 M N 4.832 124.456 119.600 0.040 0.000 2.248 368 M HA 0.072 4.552 4.480 -0.000 0.000 0.343 368 M C 0.903 177.210 176.300 0.013 0.000 1.243 368 M CA 0.732 56.055 55.300 0.038 0.000 1.025 368 M CB 0.581 33.202 32.600 0.034 0.000 1.759 368 M HN 0.920 nan 8.290 nan 0.000 0.452 369 S N 2.529 118.233 115.700 0.006 0.000 2.568 369 S HA 0.065 4.535 4.470 -0.000 0.000 0.282 369 S C 1.019 175.620 174.600 0.002 0.000 1.338 369 S CA -0.107 58.088 58.200 -0.009 0.000 1.045 369 S CB 0.501 63.690 63.200 -0.017 0.000 0.873 369 S HN 0.803 nan 8.310 nan 0.000 0.516 370 T N 1.931 116.483 114.554 -0.004 0.000 2.720 370 T HA -0.146 4.203 4.350 -0.000 0.000 0.268 370 T C 1.621 176.327 174.700 0.011 0.000 1.037 370 T CA 1.898 64.000 62.100 0.004 0.000 1.144 370 T CB -0.491 68.376 68.868 -0.001 0.000 0.864 370 T HN 0.775 nan 8.240 nan 0.000 0.444 371 E N 0.505 120.708 120.200 0.005 0.000 2.085 371 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 371 E C 2.239 178.854 176.600 0.026 0.000 0.994 371 E CA 0.875 57.281 56.400 0.010 0.000 0.801 371 E CB -0.253 29.446 29.700 -0.002 0.000 0.743 371 E HN 0.433 nan 8.360 nan 0.000 0.453 372 L N 0.671 121.912 121.223 0.030 0.000 2.056 372 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 372 L C 2.381 179.288 176.870 0.063 0.000 1.078 372 L CA 0.430 55.302 54.840 0.053 0.000 0.749 372 L CB -0.225 41.866 42.059 0.052 0.000 0.901 372 L HN 0.197 nan 8.230 nan 0.000 0.433 373 I N -0.035 120.559 120.570 0.041 0.000 2.179 373 I HA -0.287 3.882 4.170 -0.000 0.000 0.242 373 I C 2.180 178.327 176.117 0.050 0.000 1.088 373 I CA 1.489 62.810 61.300 0.035 0.000 1.357 373 I CB -1.160 36.852 38.000 0.019 0.000 1.051 373 I HN 0.278 nan 8.210 nan 0.000 0.409 374 D N 0.813 121.242 120.400 0.047 0.000 2.123 374 D HA -0.159 4.481 4.640 -0.000 0.000 0.196 374 D C 2.365 178.712 176.300 0.079 0.000 0.992 374 D CA 1.814 55.847 54.000 0.054 0.000 0.833 374 D CB -0.177 40.647 40.800 0.039 0.000 0.954 374 D HN 0.388 nan 8.370 nan 0.000 0.455 375 S N 0.028 115.783 115.700 0.092 0.000 2.419 375 S HA -0.119 4.351 4.470 -0.000 0.000 0.233 375 S C 2.175 176.923 174.600 0.246 0.000 1.016 375 S CA 0.800 59.084 58.200 0.140 0.000 0.974 375 S CB -0.541 62.734 63.200 0.125 0.000 0.786 375 S HN 0.095 nan 8.310 nan 0.000 0.492 376 V N 3.060 123.094 119.914 0.201 0.000 2.469 376 V HA -0.176 3.944 4.120 -0.000 0.000 0.251 376 V C 2.263 178.490 176.094 0.222 0.000 1.064 376 V CA 2.161 64.602 62.300 0.234 0.000 1.066 376 V CB -0.826 31.046 31.823 0.082 0.000 0.667 376 V HN 0.821 nan 8.190 nan 0.000 0.461 377 K N 0.321 120.812 120.400 0.152 0.000 2.440 377 K HA 0.166 4.486 4.320 -0.000 0.000 0.206 377 K C 1.678 178.343 176.600 0.108 0.000 1.025 377 K CA 0.696 57.056 56.287 0.122 0.000 1.135 377 K CB 0.145 32.700 32.500 0.091 0.000 0.856 377 K HN 0.436 nan 8.250 nan 0.000 0.502 378 S N 1.235 117.015 115.700 0.132 0.000 2.402 378 S HA -0.192 4.278 4.470 -0.000 0.000 0.233 378 S C 1.063 175.682 174.600 0.030 0.000 1.030 378 S CA 1.455 59.694 58.200 0.065 0.000 1.003 378 S CB -0.294 62.921 63.200 0.025 0.000 0.813 378 S HN 0.324 nan 8.310 nan 0.000 0.477 379 D N 0.744 121.170 120.400 0.044 0.000 2.340 379 D HA 0.212 4.852 4.640 -0.000 0.000 0.220 379 D C 0.211 176.556 176.300 0.075 0.000 1.039 379 D CA 0.303 54.318 54.000 0.025 0.000 0.866 379 D CB -0.042 40.754 40.800 -0.006 0.000 0.913 379 D HN 0.383 nan 8.370 nan 0.000 0.523 380 M N 0.500 120.146 119.600 0.076 0.000 2.249 380 M HA 0.204 4.684 4.480 -0.000 0.000 0.351 380 M C 0.271 176.604 176.300 0.055 0.000 1.180 380 M CA 0.051 55.404 55.300 0.089 0.000 1.127 380 M CB 1.015 33.659 32.600 0.074 0.000 1.546 380 M HN -0.340 nan 8.290 nan 0.000 0.461 381 T N 4.497 119.077 114.554 0.044 0.000 2.743 381 T HA 0.650 5.000 4.350 -0.000 0.000 0.292 381 T C 0.067 174.751 174.700 -0.026 0.000 0.972 381 T CA -0.307 61.799 62.100 0.009 0.000 0.967 381 T CB 0.297 69.165 68.868 -0.000 0.000 0.926 381 T HN 0.424 nan 8.240 nan 0.000 0.459 382 I N 4.042 124.597 120.570 -0.025 0.000 2.389 382 I HA 0.476 4.646 4.170 -0.000 0.000 0.288 382 I C 0.291 176.384 176.117 -0.041 0.000 0.999 382 I CA -0.679 60.581 61.300 -0.066 0.000 1.129 382 I CB 1.330 39.336 38.000 0.010 0.000 1.288 382 I HN 0.296 nan 8.210 nan 0.000 0.444 383 R N 4.084 124.526 120.500 -0.097 0.000 2.621 383 R HA 0.766 5.106 4.340 -0.000 0.000 0.292 383 R C 0.008 176.344 176.300 0.060 0.000 0.969 383 R CA -0.600 55.492 56.100 -0.014 0.000 0.887 383 R CB 2.227 32.509 30.300 -0.031 0.000 1.180 383 R HN 0.871 nan 8.270 nan 0.000 0.450 384 G N 0.938 109.815 108.800 0.127 0.000 2.660 384 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.215 384 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.215 384 G C -0.876 174.190 174.900 0.276 0.000 1.345 384 G CA -0.742 44.470 45.100 0.188 0.000 0.877 384 G HN 0.496 nan 8.290 nan 0.000 0.549 385 T N 3.347 118.010 114.554 0.182 0.000 2.797 385 T HA 0.638 4.987 4.350 -0.000 0.000 0.279 385 T C -2.439 172.096 174.700 -0.275 0.000 0.991 385 T CA -0.618 61.486 62.100 0.006 0.000 0.979 385 T CB 1.935 70.795 68.868 -0.014 0.000 0.943 385 T HN 0.508 nan 8.240 nan 0.000 0.444 386 P HA 0.239 nan 4.420 nan 0.000 0.265 386 P C 1.031 178.070 177.300 -0.435 0.000 1.193 386 P CA 0.819 63.300 63.100 -1.031 0.000 0.765 386 P CB 0.342 31.606 31.700 -0.728 0.000 0.823 387 G N 1.040 109.644 108.800 -0.328 0.000 2.195 387 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.246 387 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.246 387 G C 0.032 174.892 174.900 -0.067 0.000 0.984 387 G CA -0.329 44.689 45.100 -0.137 0.000 0.633 387 G HN 0.520 nan 8.290 nan 0.000 0.525 388 E N -0.020 120.150 120.200 -0.049 0.000 2.248 388 E HA 0.535 4.885 4.350 -0.000 0.000 0.272 388 E C 1.531 178.167 176.600 0.061 0.000 1.008 388 E CA -0.776 55.632 56.400 0.013 0.000 0.856 388 E CB 1.164 30.879 29.700 0.026 0.000 1.120 388 E HN 0.177 nan 8.360 nan 0.000 0.397 389 L N 0.767 122.018 121.223 0.047 0.000 2.362 389 L HA -0.133 4.207 4.340 -0.000 0.000 0.219 389 L C 1.955 178.865 176.870 0.065 0.000 1.134 389 L CA 1.391 56.261 54.840 0.051 0.000 0.807 389 L CB -0.584 41.493 42.059 0.030 0.000 0.927 389 L HN 0.540 nan 8.230 nan 0.000 0.447 390 T N -4.723 109.876 114.554 0.076 0.000 3.107 390 T HA -0.061 4.289 4.350 -0.000 0.000 0.249 390 T C 0.472 175.240 174.700 0.113 0.000 1.096 390 T CA -0.281 61.862 62.100 0.073 0.000 1.012 390 T CB -0.338 68.564 68.868 0.056 0.000 0.977 390 T HN 0.120 nan 8.240 nan 0.000 0.527 391 Y N 3.716 124.017 120.300 0.003 0.000 2.425 391 Y HA 0.434 4.984 4.550 -0.000 0.000 0.331 391 Y C 0.173 176.076 175.900 0.006 0.000 1.157 391 Y CA -0.597 57.506 58.100 0.005 0.000 1.372 391 Y CB 0.554 39.015 38.460 0.003 0.000 1.253 391 Y HN 0.344 nan 8.280 nan 0.000 0.536 392 S N 4.298 119.712 115.700 -0.476 0.000 2.556 392 S HA 0.796 5.265 4.470 -0.000 0.000 0.271 392 S C -1.968 172.314 174.600 -0.531 0.000 1.135 392 S CA -0.955 56.989 58.200 -0.427 0.000 0.858 392 S CB 1.442 64.539 63.200 -0.171 0.000 1.114 392 S HN 0.532 nan 8.310 nan 0.000 0.468 393 V N 2.353 122.059 119.914 -0.347 0.000 2.525 393 V HA 0.830 4.950 4.120 -0.000 0.000 0.299 393 V C -0.039 176.027 176.094 -0.046 0.000 1.034 393 V CA -0.064 62.118 62.300 -0.196 0.000 0.863 393 V CB 1.301 33.039 31.823 -0.142 0.000 0.999 393 V HN 1.269 nan 8.190 nan 0.000 0.423 394 T N 1.639 116.197 114.554 0.005 0.000 2.841 394 T HA 0.899 5.249 4.350 -0.000 0.000 0.296 394 T C -1.072 173.721 174.700 0.155 0.000 1.166 394 T CA -0.769 61.360 62.100 0.049 0.000 1.007 394 T CB 2.436 71.281 68.868 -0.038 0.000 1.253 394 T HN 0.979 nan 8.240 nan 0.000 0.511 395 Y N -1.985 118.306 120.300 -0.014 0.000 2.670 395 Y HA 0.746 5.296 4.550 -0.000 0.000 0.334 395 Y C -1.013 174.880 175.900 -0.011 0.000 1.185 395 Y CA -1.285 56.809 58.100 -0.010 0.000 1.053 395 Y CB 0.786 39.247 38.460 0.002 0.000 1.298 395 Y HN 0.657 nan 8.280 nan 0.000 0.459 396 T N 4.225 118.764 114.554 -0.025 0.000 2.762 396 T HA 0.398 4.748 4.350 -0.000 0.000 0.303 396 T C -2.790 171.908 174.700 -0.004 0.000 0.977 396 T CA -1.276 60.766 62.100 -0.097 0.000 0.961 396 T CB 0.568 69.424 68.868 -0.020 0.000 0.944 396 T HN 0.342 nan 8.240 nan 0.000 0.481 397 P HA 0.231 nan 4.420 nan 0.000 0.264 397 P C 1.086 178.426 177.300 0.066 0.000 1.193 397 P CA 0.641 63.783 63.100 0.071 0.000 0.763 397 P CB 0.370 32.059 31.700 -0.019 0.000 0.810 398 G N 1.984 110.842 108.800 0.097 0.000 2.162 398 G HA2 -0.208 3.751 3.960 -0.000 0.000 0.260 398 G HA3 -0.208 3.751 3.960 -0.000 0.000 0.260 398 G C 0.452 175.365 174.900 0.022 0.000 0.976 398 G CA 0.006 45.135 45.100 0.048 0.000 0.655 398 G HN 0.856 nan 8.290 nan 0.000 0.533 399 A N 0.503 123.337 122.820 0.023 0.000 2.477 399 A HA 0.670 4.990 4.320 -0.000 0.000 0.246 399 A C 1.797 179.370 177.584 -0.018 0.000 1.078 399 A CA 1.155 53.192 52.037 0.001 0.000 0.770 399 A CB 0.315 19.317 19.000 0.004 0.000 1.011 399 A HN 1.612 nan 8.150 nan 0.000 0.494 400 S N 1.617 117.303 115.700 -0.022 0.000 2.383 400 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 400 S C 1.438 176.008 174.600 -0.050 0.000 1.030 400 S CA 1.912 60.093 58.200 -0.031 0.000 1.002 400 S CB -0.977 62.208 63.200 -0.025 0.000 0.829 400 S HN 1.179 nan 8.310 nan 0.000 0.467 401 T N -0.993 113.529 114.554 -0.052 0.000 3.129 401 T HA 0.227 4.577 4.350 -0.000 0.000 0.251 401 T C 0.349 174.987 174.700 -0.103 0.000 1.117 401 T CA -0.510 61.548 62.100 -0.070 0.000 1.034 401 T CB -0.565 68.270 68.868 -0.054 0.000 0.968 401 T HN 0.141 nan 8.240 nan 0.000 0.526 402 N N 2.554 121.193 118.700 -0.103 0.000 2.458 402 N HA 0.127 4.867 4.740 -0.000 0.000 0.258 402 N C 1.082 176.425 175.510 -0.279 0.000 1.219 402 N CA -0.192 52.765 53.050 -0.155 0.000 0.902 402 N CB 0.847 39.268 38.487 -0.110 0.000 1.076 402 N HN 0.099 nan 8.380 nan 0.000 0.455 403 K N 1.267 121.401 120.400 -0.443 0.000 2.288 403 K HA -0.015 4.305 4.320 -0.000 0.000 0.201 403 K C 0.045 176.060 176.600 -0.975 0.000 1.048 403 K CA 1.160 57.018 56.287 -0.715 0.000 0.956 403 K CB -0.047 31.896 32.500 -0.928 0.000 0.746 403 K HN 0.572 nan 8.250 nan 0.000 0.461 404 H N -0.152 118.592 119.070 -0.543 0.000 2.622 404 H HA 0.313 4.869 4.556 -0.000 0.000 0.363 404 H C -2.301 172.690 175.328 -0.562 0.000 1.151 404 H CA -2.572 52.974 56.048 -0.837 0.000 1.184 404 H CB 1.570 30.412 29.762 -1.532 0.000 1.643 404 H HN -0.121 nan 8.280 nan 0.000 0.531 405 P HA 0.018 nan 4.420 nan 0.000 0.274 405 P C 0.199 177.300 177.300 -0.333 0.000 1.246 405 P CA -0.264 62.654 63.100 -0.304 0.000 0.795 405 P CB 1.442 32.973 31.700 -0.282 0.000 1.006 406 D N 0.225 120.563 120.400 -0.104 0.000 2.144 406 D HA -0.137 4.503 4.640 -0.000 0.000 0.199 406 D C 1.915 178.212 176.300 -0.005 0.000 0.984 406 D CA 1.328 55.334 54.000 0.010 0.000 0.834 406 D CB -0.534 40.384 40.800 0.196 0.000 0.955 406 D HN 0.613 nan 8.370 nan 0.000 0.465 407 W N 0.255 121.623 121.300 0.113 0.000 2.374 407 W HA -0.130 4.530 4.660 -0.000 0.000 0.288 407 W C 1.919 178.515 176.519 0.128 0.000 1.218 407 W CA 0.117 57.527 57.345 0.109 0.000 1.245 407 W CB -1.347 28.171 29.460 0.096 0.000 1.126 407 W HN 0.053 nan 8.180 nan 0.000 0.545 408 W N 3.610 124.343 121.300 -0.945 0.000 2.378 408 W HA -0.169 4.491 4.660 -0.000 0.000 0.313 408 W C 1.868 178.098 176.519 -0.482 0.000 1.197 408 W CA 1.750 58.584 57.345 -0.850 0.000 1.304 408 W CB -1.086 27.661 29.460 -1.189 0.000 1.148 408 W HN -0.116 nan 8.180 nan 0.000 0.494 409 N N 0.979 119.590 118.700 -0.149 0.000 2.223 409 N HA -0.199 4.541 4.740 -0.000 0.000 0.185 409 N C 1.512 176.752 175.510 -0.450 0.000 1.016 409 N CA 1.912 54.690 53.050 -0.454 0.000 0.863 409 N CB -0.618 37.162 38.487 -1.177 0.000 0.983 409 N HN 0.252 nan 8.380 nan 0.000 0.429 410 E N 1.444 121.510 120.200 -0.223 0.000 2.077 410 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 410 E C 1.636 178.283 176.600 0.079 0.000 0.989 410 E CA 1.210 57.653 56.400 0.072 0.000 0.800 410 E CB 0.085 29.904 29.700 0.198 0.000 0.746 410 E HN 0.095 nan 8.360 nan 0.000 0.452 411 K N -0.055 120.380 120.400 0.059 0.000 2.057 411 K HA -0.075 4.245 4.320 -0.000 0.000 0.207 411 K C 2.185 178.793 176.600 0.013 0.000 1.049 411 K CA 1.204 57.521 56.287 0.049 0.000 0.931 411 K CB -0.512 32.006 32.500 0.029 0.000 0.714 411 K HN 0.121 nan 8.250 nan 0.000 0.440 412 V N 2.095 121.979 119.914 -0.050 0.000 2.295 412 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 412 V C 2.609 178.743 176.094 0.068 0.000 1.049 412 V CA 1.836 64.123 62.300 -0.020 0.000 1.024 412 V CB -0.446 31.355 31.823 -0.037 0.000 0.648 412 V HN 0.390 nan 8.190 nan 0.000 0.447 413 K N 0.194 120.630 120.400 0.061 0.000 2.032 413 K HA -0.243 4.076 4.320 -0.000 0.000 0.209 413 K C 1.994 178.658 176.600 0.106 0.000 1.048 413 K CA 2.040 58.390 56.287 0.106 0.000 0.927 413 K CB -0.247 32.366 32.500 0.188 0.000 0.712 413 K HN 0.439 nan 8.250 nan 0.000 0.441 414 N N 0.247 119.018 118.700 0.117 0.000 2.188 414 N HA -0.171 4.569 4.740 -0.000 0.000 0.184 414 N C 1.767 177.357 175.510 0.133 0.000 1.018 414 N CA 1.271 54.388 53.050 0.113 0.000 0.858 414 N CB -0.546 38.013 38.487 0.119 0.000 0.989 414 N HN 0.437 nan 8.380 nan 0.000 0.426 415 H N 0.925 120.039 119.070 0.073 0.000 2.321 415 H HA 0.069 4.625 4.556 -0.000 0.000 0.300 415 H C 2.081 177.478 175.328 0.113 0.000 1.087 415 H CA 1.801 57.906 56.048 0.094 0.000 1.319 415 H CB -0.105 29.610 29.762 -0.078 0.000 1.379 415 H HN 0.082 nan 8.280 nan 0.000 0.501 416 M N -0.850 118.749 119.600 -0.002 0.000 2.229 416 M HA -0.142 4.338 4.480 -0.000 0.000 0.264 416 M C 1.759 178.110 176.300 0.084 0.000 1.063 416 M CA 1.160 56.473 55.300 0.022 0.000 1.114 416 M CB 0.043 32.722 32.600 0.132 0.000 1.387 416 M HN 0.358 nan 8.290 nan 0.000 0.420 417 M N -0.485 119.152 119.600 0.063 0.000 2.287 417 M HA -0.061 4.419 4.480 -0.000 0.000 0.266 417 M C 1.832 178.129 176.300 -0.005 0.000 1.079 417 M CA 1.547 56.890 55.300 0.072 0.000 1.146 417 M CB -0.823 31.803 32.600 0.043 0.000 1.374 417 M HN 0.308 nan 8.290 nan 0.000 0.435 418 Q N -0.871 118.874 119.800 -0.092 0.000 2.398 418 Q HA -0.021 4.318 4.340 -0.000 0.000 0.204 418 Q C 0.022 175.698 176.000 -0.540 0.000 0.932 418 Q CA 0.664 56.304 55.803 -0.273 0.000 0.916 418 Q CB 0.395 28.962 28.738 -0.286 0.000 1.024 418 Q HN 0.541 nan 8.270 nan 0.000 0.504 419 H N 0.246 119.258 119.070 -0.097 0.000 2.336 419 H HA 0.196 4.752 4.556 -0.000 0.000 0.230 419 H C 0.120 175.375 175.328 -0.121 0.000 1.426 419 H CA -0.081 55.910 56.048 -0.094 0.000 1.359 419 H CB 0.546 30.231 29.762 -0.128 0.000 1.555 419 H HN 0.251 nan 8.280 nan 0.000 0.512 420 Q N 0.642 120.429 119.800 -0.023 0.000 2.369 420 Q HA -0.106 4.234 4.340 -0.000 0.000 0.206 420 Q C 1.884 177.848 176.000 -0.059 0.000 0.963 420 Q CA 0.757 56.522 55.803 -0.064 0.000 0.894 420 Q CB 0.402 29.073 28.738 -0.112 0.000 0.965 420 Q HN 0.521 nan 8.270 nan 0.000 0.475 421 E N 1.253 121.459 120.200 0.011 0.000 2.418 421 E HA -0.132 4.218 4.350 -0.000 0.000 0.197 421 E C -0.338 176.300 176.600 0.065 0.000 1.026 421 E CA 0.641 57.060 56.400 0.031 0.000 0.862 421 E CB 0.001 29.738 29.700 0.062 0.000 0.799 421 E HN 0.174 nan 8.360 nan 0.000 0.518 422 D N 1.713 122.166 120.400 0.088 0.000 2.198 422 D HA 0.141 4.781 4.640 -0.000 0.000 0.245 422 D C -1.563 174.787 176.300 0.082 0.000 1.079 422 D CA -2.241 51.840 54.000 0.135 0.000 0.854 422 D CB 1.660 42.584 40.800 0.208 0.000 1.148 422 D HN -0.189 nan 8.370 nan 0.000 0.456 423 P HA 0.080 nan 4.420 nan 0.000 0.241 423 P C -0.152 177.187 177.300 0.065 0.000 1.191 423 P CA 0.238 63.372 63.100 0.058 0.000 0.771 423 P CB 0.416 32.143 31.700 0.046 0.000 0.929 424 L N 1.570 122.842 121.223 0.081 0.000 2.334 424 L HA 0.381 4.721 4.340 -0.000 0.000 0.272 424 L C -1.377 175.527 176.870 0.058 0.000 1.020 424 L CA -2.230 52.633 54.840 0.038 0.000 0.812 424 L CB 2.239 44.286 42.059 -0.020 0.000 1.264 424 L HN -0.296 nan 8.230 nan 0.000 0.439 425 P HA 0.115 nan 4.420 nan 0.000 0.261 425 P C 0.209 177.376 177.300 -0.222 0.000 1.268 425 P CA 0.402 63.505 63.100 0.005 0.000 0.833 425 P CB 0.472 32.180 31.700 0.015 0.000 1.231 426 I N 2.502 122.847 120.570 -0.376 0.000 2.416 426 I HA 0.189 4.359 4.170 -0.000 0.000 0.288 426 I C -2.100 173.488 176.117 -0.882 0.000 1.051 426 I CA -2.569 58.433 61.300 -0.497 0.000 1.375 426 I CB 0.473 38.277 38.000 -0.327 0.000 1.407 426 I HN -0.209 nan 8.210 nan 0.000 0.516 427 P HA 0.016 nan 4.420 nan 0.000 0.267 427 P C -0.561 176.454 177.300 -0.475 0.000 1.200 427 P CA -0.027 62.665 63.100 -0.681 0.000 0.772 427 P CB 0.291 31.843 31.700 -0.246 0.000 0.855 428 F N 1.192 121.014 119.950 -0.214 0.000 2.496 428 F HA 0.059 4.586 4.527 -0.000 0.000 0.344 428 F C 1.764 177.520 175.800 -0.074 0.000 1.155 428 F CA 0.403 58.328 58.000 -0.125 0.000 1.302 428 F CB -0.471 38.464 39.000 -0.108 0.000 1.159 428 F HN 0.561 nan 8.300 nan 0.000 0.595 429 E N -1.467 118.822 120.200 0.148 0.000 3.496 429 E HA -0.294 4.056 4.350 -0.000 0.000 0.300 429 E C -0.484 176.138 176.600 0.036 0.000 0.877 429 E CA 0.677 57.127 56.400 0.082 0.000 1.050 429 E CB -1.332 28.418 29.700 0.084 0.000 1.532 429 E HN 0.672 nan 8.360 nan 0.000 0.447 430 D N 1.403 121.805 120.400 0.003 0.000 2.450 430 D HA 0.091 4.731 4.640 -0.000 0.000 0.247 430 D C -2.226 174.093 176.300 0.032 0.000 1.162 430 D CA -1.118 52.871 54.000 -0.019 0.000 0.879 430 D CB 0.787 41.539 40.800 -0.079 0.000 1.163 430 D HN -0.120 nan 8.370 nan 0.000 0.472 431 P HA 0.087 nan 4.420 nan 0.000 0.271 431 P C -0.678 176.753 177.300 0.217 0.000 1.233 431 P CA -0.229 62.965 63.100 0.155 0.000 0.789 431 P CB 0.448 32.214 31.700 0.109 0.000 0.951 432 E N 2.135 122.501 120.200 0.278 0.000 2.404 432 E HA 0.119 4.469 4.350 -0.000 0.000 0.261 432 E C -1.893 174.764 176.600 0.096 0.000 1.074 432 E CA -1.127 55.345 56.400 0.121 0.000 0.917 432 E CB -0.860 28.854 29.700 0.023 0.000 0.965 432 E HN 0.388 nan 8.360 nan 0.000 0.433 433 P HA 0.007 nan 4.420 nan 0.000 0.271 433 P C -0.815 176.532 177.300 0.077 0.000 1.218 433 P CA -0.057 63.132 63.100 0.148 0.000 0.780 433 P CB 0.638 32.373 31.700 0.059 0.000 0.901 434 Q N 1.217 121.179 119.800 0.271 0.000 3.316 434 Q HA 0.282 4.622 4.340 -0.000 0.000 0.295 434 Q C -0.845 175.288 176.000 0.222 0.000 0.805 434 Q CA -0.345 55.496 55.803 0.063 0.000 0.914 434 Q CB 1.058 29.616 28.738 -0.300 0.000 1.514 434 Q HN 0.204 nan 8.270 nan 0.000 0.387 435 V N 0.554 120.554 119.914 0.143 0.000 2.612 435 V HA 0.738 4.858 4.120 -0.000 0.000 0.301 435 V C 0.266 176.395 176.094 0.059 0.000 1.046 435 V CA -0.345 62.024 62.300 0.114 0.000 0.946 435 V CB 1.979 33.797 31.823 -0.007 0.000 1.003 435 V HN 0.422 nan 8.190 nan 0.000 0.459 436 T N 1.611 116.230 114.554 0.108 0.000 2.900 436 T HA 0.491 4.841 4.350 -0.000 0.000 0.303 436 T C -0.952 173.751 174.700 0.005 0.000 1.142 436 T CA -0.330 61.784 62.100 0.024 0.000 1.007 436 T CB 1.897 70.759 68.868 -0.010 0.000 1.156 436 T HN 0.836 nan 8.240 nan 0.000 0.490 437 T N 4.523 118.970 114.554 -0.178 0.000 2.791 437 T HA 0.591 4.941 4.350 -0.000 0.000 0.288 437 T C -0.091 174.519 174.700 -0.150 0.000 0.999 437 T CA -0.620 61.243 62.100 -0.397 0.000 0.952 437 T CB -0.146 68.108 68.868 -1.023 0.000 0.938 437 T HN 0.532 nan 8.240 nan 0.000 0.444 438 L N 4.374 125.566 121.223 -0.051 0.000 2.467 438 L HA 0.363 4.703 4.340 -0.000 0.000 0.270 438 L C 0.809 177.682 176.870 0.004 0.000 1.205 438 L CA -0.868 54.013 54.840 0.068 0.000 0.828 438 L CB 0.156 42.242 42.059 0.046 0.000 1.101 438 L HN 0.630 nan 8.230 nan 0.000 0.479 439 F N 2.860 122.734 119.950 -0.127 0.000 2.579 439 F HA -0.095 4.432 4.527 -0.000 0.000 0.397 439 F C 0.258 175.780 175.800 -0.465 0.000 1.027 439 F CA 0.603 58.423 58.000 -0.300 0.000 1.217 439 F CB 0.092 38.981 39.000 -0.186 0.000 0.986 439 F HN 0.394 nan 8.300 nan 0.000 0.551 440 Q N 6.837 126.106 119.800 -0.886 0.000 2.456 440 Q HA 0.282 4.622 4.340 -0.000 0.000 0.283 440 Q C -1.958 173.593 176.000 -0.747 0.000 1.084 440 Q CA -1.842 53.549 55.803 -0.686 0.000 0.801 440 Q CB 1.460 29.691 28.738 -0.845 0.000 1.434 440 Q HN 0.245 nan 8.270 nan 0.000 0.419 441 P HA -0.191 nan 4.420 nan 0.000 0.216 441 P C 1.178 178.271 177.300 -0.345 0.000 1.150 441 P CA 2.015 64.945 63.100 -0.283 0.000 0.843 441 P CB 0.247 31.875 31.700 -0.119 0.000 0.787 442 S N -1.380 114.133 115.700 -0.312 0.000 2.522 442 S HA -0.112 4.357 4.470 -0.000 0.000 0.227 442 S C 0.588 175.009 174.600 -0.299 0.000 0.986 442 S CA 0.207 58.285 58.200 -0.205 0.000 0.929 442 S CB -1.305 61.864 63.200 -0.053 0.000 0.769 442 S HN 0.438 nan 8.310 nan 0.000 0.529 443 H N -1.141 117.494 119.070 -0.725 0.000 2.538 443 H HA 0.495 5.051 4.556 -0.000 0.000 0.239 443 H C -3.171 171.066 175.328 -1.819 0.000 1.401 443 H CA -1.918 53.315 56.048 -1.359 0.000 1.499 443 H CB 0.617 29.817 29.762 -0.936 0.000 1.624 443 H HN 0.079 nan 8.280 nan 0.000 0.524 444 P HA 0.074 nan 4.420 nan 0.000 0.225 444 P C -1.267 175.486 177.300 -0.912 0.000 1.768 444 P CA 0.184 62.223 63.100 -1.768 0.000 0.943 444 P CB -1.082 30.118 31.700 -0.832 0.000 1.936 445 W N -0.507 120.532 121.300 -0.435 0.000 3.167 445 W HA 0.533 5.193 4.660 -0.000 0.000 0.324 445 W C -0.840 175.788 176.519 0.182 0.000 1.230 445 W CA -1.297 56.098 57.345 0.084 0.000 1.184 445 W CB 0.088 29.608 29.460 0.101 0.000 1.414 445 W HN -0.025 nan 8.180 nan 0.000 0.551 446 H N 1.075 120.414 119.070 0.448 0.000 2.505 446 H HA 0.699 5.255 4.556 -0.000 0.000 0.351 446 H C -0.146 175.341 175.328 0.266 0.000 1.151 446 H CA 0.479 56.690 56.048 0.271 0.000 1.339 446 H CB 1.468 31.335 29.762 0.174 0.000 1.483 446 H HN 0.580 nan 8.280 nan 0.000 0.558 447 T N 2.023 116.248 114.554 -0.547 0.000 2.893 447 T HA 0.501 4.851 4.350 -0.000 0.000 0.293 447 T C -0.839 173.576 174.700 -0.474 0.000 1.027 447 T CA -1.130 60.656 62.100 -0.523 0.000 0.988 447 T CB 1.692 70.112 68.868 -0.747 0.000 1.043 447 T HN 0.663 nan 8.240 nan 0.000 0.461 448 Q N 1.739 121.467 119.800 -0.120 0.000 2.285 448 Q HA 0.549 4.889 4.340 -0.000 0.000 0.269 448 Q C -1.235 174.707 176.000 -0.096 0.000 1.030 448 Q CA -0.663 55.003 55.803 -0.228 0.000 0.788 448 Q CB 2.645 31.127 28.738 -0.427 0.000 1.266 448 Q HN 0.718 nan 8.270 nan 0.000 0.438 449 I N 3.549 124.024 120.570 -0.158 0.000 2.495 449 I HA 0.376 4.546 4.170 -0.000 0.000 0.277 449 I C -0.459 175.594 176.117 -0.106 0.000 1.045 449 I CA -0.315 60.773 61.300 -0.353 0.000 1.135 449 I CB 0.457 38.098 38.000 -0.597 0.000 1.241 449 I HN 0.732 nan 8.210 nan 0.000 0.469 450 H N 3.672 122.597 119.070 -0.241 0.000 2.863 450 H HA 0.665 5.221 4.556 -0.000 0.000 0.274 450 H C -1.327 173.968 175.328 -0.056 0.000 1.457 450 H CA -1.365 54.618 56.048 -0.108 0.000 1.151 450 H CB 1.465 31.197 29.762 -0.051 0.000 1.844 450 H HN 0.145 nan 8.280 nan 0.000 0.562 451 R N 1.318 121.686 120.500 -0.220 0.000 2.538 451 R HA 0.424 4.764 4.340 -0.000 0.000 0.292 451 R C -1.581 174.552 176.300 -0.279 0.000 1.008 451 R CA -0.586 55.343 56.100 -0.283 0.000 0.896 451 R CB 1.873 32.111 30.300 -0.105 0.000 1.187 451 R HN 0.844 nan 8.270 nan 0.000 0.440 452 D N 0.246 120.484 120.400 -0.271 0.000 2.713 452 D HA 0.454 5.094 4.640 -0.000 0.000 0.306 452 D C -1.390 174.829 176.300 -0.135 0.000 1.299 452 D CA -0.410 53.461 54.000 -0.215 0.000 0.823 452 D CB 2.336 42.985 40.800 -0.252 0.000 1.353 452 D HN 0.485 nan 8.370 nan 0.000 0.447 453 A N 1.045 123.699 122.820 -0.277 0.000 2.274 453 A HA 0.664 4.984 4.320 -0.000 0.000 0.309 453 A C -1.008 176.310 177.584 -0.443 0.000 1.226 453 A CA -0.112 51.818 52.037 -0.179 0.000 0.853 453 A CB -0.104 18.903 19.000 0.011 0.000 1.146 453 A HN 0.324 nan 8.150 nan 0.000 0.518 454 F N 0.477 120.273 119.950 -0.256 0.000 2.782 454 F HA 0.403 4.930 4.527 -0.000 0.000 0.366 454 F C 1.757 177.369 175.800 -0.313 0.000 1.171 454 F CA 0.198 58.001 58.000 -0.329 0.000 1.064 454 F CB 1.312 39.894 39.000 -0.696 0.000 1.449 454 F HN 0.525 nan 8.300 nan 0.000 0.520 455 S N -0.933 114.764 115.700 -0.005 0.000 2.607 455 S HA 0.087 4.557 4.470 -0.000 0.000 0.224 455 S C -0.499 174.151 174.600 0.083 0.000 0.969 455 S CA 0.380 58.590 58.200 0.016 0.000 0.927 455 S CB -1.203 62.042 63.200 0.075 0.000 0.772 455 S HN 0.542 nan 8.310 nan 0.000 0.533 456 Y N -3.964 116.307 120.300 -0.048 0.000 2.655 456 Y HA 0.722 5.272 4.550 -0.000 0.000 0.336 456 Y C 0.640 176.466 175.900 -0.123 0.000 1.154 456 Y CA -1.048 56.983 58.100 -0.115 0.000 1.055 456 Y CB 0.635 38.966 38.460 -0.216 0.000 1.295 456 Y HN 0.201 nan 8.280 nan 0.000 0.465 457 G N -0.301 108.506 108.800 0.011 0.000 2.137 457 G HA2 0.068 4.028 3.960 -0.000 0.000 0.237 457 G HA3 0.068 4.028 3.960 -0.000 0.000 0.237 457 G C 0.151 175.096 174.900 0.076 0.000 1.002 457 G CA -0.102 45.041 45.100 0.072 0.000 0.702 457 G HN 1.493 nan 8.290 nan 0.000 0.515 458 A N -0.516 122.333 122.820 0.048 0.000 2.462 458 A HA 0.616 4.935 4.320 -0.000 0.000 0.243 458 A C 0.886 178.512 177.584 0.071 0.000 1.076 458 A CA 0.401 52.467 52.037 0.048 0.000 0.773 458 A CB 0.759 19.782 19.000 0.038 0.000 1.010 458 A HN 1.225 nan 8.150 nan 0.000 0.493 459 V N 3.992 123.944 119.914 0.063 0.000 2.614 459 V HA 0.114 4.234 4.120 -0.000 0.000 0.291 459 V C 0.630 176.756 176.094 0.054 0.000 1.049 459 V CA -0.240 62.097 62.300 0.062 0.000 1.038 459 V CB 0.868 32.724 31.823 0.055 0.000 0.980 459 V HN 1.060 nan 8.190 nan 0.000 0.481 460 Q N 3.075 122.906 119.800 0.052 0.000 3.028 460 Q HA 0.378 4.718 4.340 -0.000 0.000 0.204 460 Q C 0.516 176.540 176.000 0.039 0.000 1.155 460 Q CA -0.390 55.439 55.803 0.044 0.000 0.447 460 Q CB 0.320 29.084 28.738 0.043 0.000 5.412 460 Q HN 0.599 nan 8.270 nan 0.000 0.322 461 Q N -0.105 119.716 119.800 0.035 0.000 2.322 461 Q HA 0.112 4.452 4.340 -0.000 0.000 0.250 461 Q C 1.776 177.795 176.000 0.031 0.000 0.853 461 Q CA 0.709 56.531 55.803 0.031 0.000 0.951 461 Q CB 0.670 29.424 28.738 0.026 0.000 1.114 461 Q HN 0.648 nan 8.270 nan 0.000 0.523 462 S N -0.493 115.226 115.700 0.031 0.000 2.446 462 S HA 0.096 4.566 4.470 -0.000 0.000 0.225 462 S C 1.002 175.620 174.600 0.031 0.000 1.016 462 S CA 0.179 58.396 58.200 0.028 0.000 0.943 462 S CB 0.326 63.541 63.200 0.025 0.000 0.786 462 S HN 0.048 nan 8.310 nan 0.000 0.508 463 I N 2.610 123.201 120.570 0.034 0.000 2.433 463 I HA 0.378 4.548 4.170 -0.000 0.000 0.292 463 I C -0.122 176.020 176.117 0.041 0.000 1.001 463 I CA -1.184 60.138 61.300 0.036 0.000 1.119 463 I CB 1.438 39.459 38.000 0.035 0.000 1.289 463 I HN 0.199 nan 8.210 nan 0.000 0.438 464 D N 3.600 124.027 120.400 0.044 0.000 2.493 464 D HA -0.055 4.585 4.640 -0.000 0.000 0.240 464 D C 1.254 177.583 176.300 0.048 0.000 1.142 464 D CA 0.265 54.297 54.000 0.053 0.000 0.872 464 D CB 1.266 42.101 40.800 0.059 0.000 1.173 464 D HN 0.670 nan 8.370 nan 0.000 0.467 465 S N 4.310 120.042 115.700 0.053 0.000 2.419 465 S HA -0.196 4.273 4.470 -0.000 0.000 0.233 465 S C 1.679 176.302 174.600 0.038 0.000 1.016 465 S CA 0.668 58.897 58.200 0.048 0.000 0.974 465 S CB -0.047 63.183 63.200 0.051 0.000 0.786 465 S HN 0.550 nan 8.310 nan 0.000 0.492 466 R N 0.762 121.282 120.500 0.034 0.000 2.193 466 R HA 0.140 4.480 4.340 -0.000 0.000 0.229 466 R C 1.871 178.172 176.300 0.001 0.000 1.110 466 R CA 1.312 57.415 56.100 0.004 0.000 0.988 466 R CB -0.546 29.736 30.300 -0.030 0.000 0.871 466 R HN 0.466 nan 8.270 nan 0.000 0.458 467 L N 0.247 121.480 121.223 0.018 0.000 2.509 467 L HA 0.138 4.478 4.340 -0.000 0.000 0.222 467 L C 0.626 177.522 176.870 0.043 0.000 1.123 467 L CA 0.109 54.963 54.840 0.024 0.000 0.856 467 L CB 0.122 42.197 42.059 0.026 0.000 0.985 467 L HN 0.054 nan 8.230 nan 0.000 0.456 468 I N 0.402 120.999 120.570 0.046 0.000 2.342 468 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 468 I C -0.557 175.597 176.117 0.060 0.000 1.010 468 I CA -0.331 61.007 61.300 0.062 0.000 1.308 468 I CB 1.643 39.678 38.000 0.058 0.000 1.400 468 I HN -0.276 nan 8.210 nan 0.000 0.488 469 V N 5.240 125.215 119.914 0.102 0.000 2.604 469 V HA 0.345 4.465 4.120 -0.000 0.000 0.305 469 V C -0.642 175.492 176.094 0.067 0.000 1.043 469 V CA -0.834 61.496 62.300 0.050 0.000 0.888 469 V CB 2.149 34.002 31.823 0.051 0.000 0.995 469 V HN 0.583 nan 8.190 nan 0.000 0.429 470 D N 2.369 122.741 120.400 -0.047 0.000 2.225 470 D HA 0.460 5.100 4.640 -0.000 0.000 0.249 470 D C -1.051 175.201 176.300 -0.081 0.000 1.052 470 D CA 0.023 54.049 54.000 0.043 0.000 0.909 470 D CB 1.436 42.279 40.800 0.071 0.000 1.186 470 D HN 0.450 nan 8.370 nan 0.000 0.431 471 W N 1.256 122.593 121.300 0.062 0.000 2.554 471 W HA 0.415 5.075 4.660 -0.000 0.000 0.324 471 W C 0.148 176.747 176.519 0.133 0.000 1.018 471 W CA -0.839 56.572 57.345 0.109 0.000 1.243 471 W CB 1.123 30.519 29.460 -0.106 0.000 1.345 471 W HN -0.083 nan 8.180 nan 0.000 0.441 472 R N 2.984 123.732 120.500 0.413 0.000 2.409 472 R HA 0.543 4.883 4.340 -0.000 0.000 0.313 472 R C -1.449 175.036 176.300 0.309 0.000 0.953 472 R CA -0.839 55.375 56.100 0.190 0.000 0.849 472 R CB 1.483 31.824 30.300 0.067 0.000 1.171 472 R HN 0.159 nan 8.270 nan 0.000 0.458 473 F N 3.041 122.843 119.950 -0.248 0.000 2.495 473 F HA 0.507 5.034 4.527 -0.000 0.000 0.327 473 F C -0.432 175.257 175.800 -0.185 0.000 1.103 473 F CA -1.508 56.455 58.000 -0.061 0.000 0.949 473 F CB 1.198 40.133 39.000 -0.110 0.000 1.142 473 F HN 0.291 nan 8.300 nan 0.000 0.457 474 F N 1.220 121.357 119.950 0.312 0.000 2.477 474 F HA 0.670 5.197 4.527 -0.000 0.000 0.335 474 F C 0.568 176.569 175.800 0.335 0.000 1.130 474 F CA -1.261 56.916 58.000 0.296 0.000 0.948 474 F CB 1.561 40.788 39.000 0.378 0.000 1.154 474 F HN 0.510 nan 8.300 nan 0.000 0.439 475 G N 1.958 110.999 108.800 0.400 0.000 2.462 475 G HA2 0.652 4.612 3.960 -0.000 0.000 0.319 475 G HA3 0.652 4.612 3.960 -0.000 0.000 0.319 475 G C -0.869 174.217 174.900 0.309 0.000 1.171 475 G CA -1.071 44.247 45.100 0.364 0.000 0.920 475 G HN 0.705 nan 8.290 nan 0.000 0.499 476 R N -0.726 119.951 120.500 0.296 0.000 2.486 476 R HA 0.672 5.011 4.340 -0.000 0.000 0.286 476 R C -0.952 175.447 176.300 0.165 0.000 0.999 476 R CA -0.563 55.638 56.100 0.167 0.000 0.993 476 R CB 1.269 31.689 30.300 0.201 0.000 1.084 476 R HN 0.267 nan 8.270 nan 0.000 0.487 477 T N 2.321 116.943 114.554 0.113 0.000 2.792 477 T HA 0.168 4.518 4.350 -0.000 0.000 0.280 477 T C -0.765 174.019 174.700 0.140 0.000 0.990 477 T CA -0.754 61.461 62.100 0.191 0.000 0.960 477 T CB 1.260 70.310 68.868 0.303 0.000 0.939 477 T HN 0.580 nan 8.240 nan 0.000 0.439 478 E N 4.285 124.570 120.200 0.140 0.000 2.415 478 E HA 0.128 4.478 4.350 -0.000 0.000 0.263 478 E C -2.189 174.493 176.600 0.137 0.000 0.995 478 E CA -1.425 55.050 56.400 0.124 0.000 0.915 478 E CB 0.226 29.989 29.700 0.104 0.000 0.951 478 E HN 0.288 nan 8.360 nan 0.000 0.449 479 P HA 0.068 nan 4.420 nan 0.000 0.271 479 P C -0.907 176.550 177.300 0.262 0.000 1.233 479 P CA 0.088 63.334 63.100 0.243 0.000 0.764 479 P CB 0.618 32.484 31.700 0.277 0.000 0.825 480 K N 2.661 123.152 120.400 0.151 0.000 2.378 480 K HA 0.178 4.498 4.320 -0.000 0.000 0.252 480 K C 0.989 177.388 176.600 -0.334 0.000 0.931 480 K CA -0.735 55.548 56.287 -0.007 0.000 0.794 480 K CB 2.291 34.753 32.500 -0.063 0.000 1.181 480 K HN 0.439 nan 8.250 nan 0.000 0.425 481 E N 2.069 121.880 120.200 -0.648 0.000 2.130 481 E HA -0.233 4.117 4.350 -0.000 0.000 0.196 481 E C 1.009 177.341 176.600 -0.447 0.000 0.998 481 E CA 1.593 57.389 56.400 -1.006 0.000 0.806 481 E CB 0.478 29.835 29.700 -0.572 0.000 0.738 481 E HN 0.551 nan 8.360 nan 0.000 0.459 482 E N 0.369 120.415 120.200 -0.257 0.000 2.347 482 E HA -0.103 4.247 4.350 -0.000 0.000 0.196 482 E C -0.004 176.533 176.600 -0.105 0.000 1.008 482 E CA 0.306 56.615 56.400 -0.152 0.000 0.852 482 E CB -0.247 29.382 29.700 -0.119 0.000 0.783 482 E HN 0.068 nan 8.360 nan 0.000 0.505 483 N N 2.008 120.639 118.700 -0.116 0.000 2.408 483 N HA 0.185 4.925 4.740 -0.000 0.000 0.257 483 N C -0.706 174.870 175.510 0.110 0.000 1.064 483 N CA 0.105 53.148 53.050 -0.012 0.000 0.952 483 N CB 1.141 39.590 38.487 -0.064 0.000 1.093 483 N HN 0.114 nan 8.380 nan 0.000 0.490 484 K N 1.119 121.641 120.400 0.203 0.000 2.477 484 K HA 0.470 4.790 4.320 -0.000 0.000 0.255 484 K C -1.150 175.623 176.600 0.288 0.000 0.952 484 K CA -0.933 55.493 56.287 0.233 0.000 0.826 484 K CB 2.425 35.056 32.500 0.218 0.000 1.331 484 K HN 0.176 nan 8.250 nan 0.000 0.437 485 L N 3.722 125.064 121.223 0.198 0.000 2.298 485 L HA 0.565 4.905 4.340 -0.000 0.000 0.284 485 L C -1.288 175.540 176.870 -0.070 0.000 1.013 485 L CA -0.084 54.713 54.840 -0.072 0.000 0.824 485 L CB 0.554 42.570 42.059 -0.073 0.000 1.221 485 L HN 0.704 nan 8.230 nan 0.000 0.418 486 W N 3.699 124.720 121.300 -0.465 0.000 3.017 486 W HA 0.648 5.308 4.660 -0.000 0.000 0.341 486 W C -2.170 173.898 176.519 -0.752 0.000 1.180 486 W CA -1.231 55.896 57.345 -0.362 0.000 1.097 486 W CB 0.922 30.313 29.460 -0.115 0.000 1.468 486 W HN 0.333 nan 8.180 nan 0.000 0.584 487 F N 1.583 121.722 119.950 0.315 0.000 2.518 487 F HA 0.319 4.846 4.527 -0.000 0.000 0.323 487 F C 0.806 176.760 175.800 0.256 0.000 1.129 487 F CA -0.935 57.132 58.000 0.113 0.000 0.920 487 F CB 1.987 41.035 39.000 0.081 0.000 1.160 487 F HN 0.271 nan 8.300 nan 0.000 0.440 488 S N 1.229 117.052 115.700 0.204 0.000 2.560 488 S HA 0.018 4.488 4.470 -0.000 0.000 0.284 488 S C 0.817 175.560 174.600 0.237 0.000 1.327 488 S CA -0.392 57.960 58.200 0.254 0.000 1.055 488 S CB 0.311 63.566 63.200 0.091 0.000 0.868 488 S HN 0.689 nan 8.310 nan 0.000 0.506 489 D N 3.144 123.676 120.400 0.220 0.000 2.339 489 D HA 0.143 4.783 4.640 -0.000 0.000 0.217 489 D C 0.937 177.301 176.300 0.106 0.000 1.050 489 D CA 0.339 54.426 54.000 0.145 0.000 0.856 489 D CB 0.225 41.097 40.800 0.120 0.000 0.922 489 D HN 0.275 nan 8.370 nan 0.000 0.518 490 K N -0.271 120.195 120.400 0.110 0.000 2.412 490 K HA 0.239 4.559 4.320 -0.000 0.000 0.201 490 K C 0.542 177.184 176.600 0.071 0.000 1.275 490 K CA -0.009 56.327 56.287 0.082 0.000 0.910 490 K CB 0.919 33.469 32.500 0.083 0.000 1.346 490 K HN 0.109 nan 8.250 nan 0.000 0.490 491 I N 3.280 123.894 120.570 0.073 0.000 2.472 491 I HA 0.145 4.315 4.170 -0.000 0.000 0.290 491 I C 0.645 176.797 176.117 0.059 0.000 1.016 491 I CA -0.050 61.282 61.300 0.054 0.000 1.348 491 I CB 0.897 38.917 38.000 0.033 0.000 1.417 491 I HN 0.127 nan 8.210 nan 0.000 0.521 492 T N 1.196 115.782 114.554 0.054 0.000 2.924 492 T HA 0.555 4.905 4.350 -0.000 0.000 0.291 492 T C -0.316 174.422 174.700 0.062 0.000 1.045 492 T CA -0.921 61.218 62.100 0.065 0.000 1.015 492 T CB 2.382 71.285 68.868 0.059 0.000 1.103 492 T HN 0.555 nan 8.240 nan 0.000 0.496 493 D N 0.699 121.152 120.400 0.089 0.000 2.478 493 D HA 0.420 5.060 4.640 -0.000 0.000 0.274 493 D C 1.675 178.019 176.300 0.074 0.000 1.234 493 D CA -0.342 53.717 54.000 0.098 0.000 1.069 493 D CB -0.016 40.878 40.800 0.157 0.000 1.113 493 D HN 0.652 nan 8.370 nan 0.000 0.571 494 A N -1.293 121.567 122.820 0.067 0.000 2.070 494 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 494 A C 1.247 178.679 177.584 -0.253 0.000 1.159 494 A CA 0.986 52.969 52.037 -0.089 0.000 0.656 494 A CB -0.970 17.957 19.000 -0.122 0.000 0.800 494 A HN 0.555 nan 8.150 nan 0.000 0.453 495 Y N -0.370 119.949 120.300 0.031 0.000 2.658 495 Y HA 0.195 4.744 4.550 -0.000 0.000 0.276 495 Y C 0.546 176.473 175.900 0.045 0.000 1.167 495 Y CA -0.470 57.652 58.100 0.036 0.000 1.230 495 Y CB 0.015 38.479 38.460 0.007 0.000 1.144 495 Y HN 0.365 nan 8.280 nan 0.000 0.529 496 N N -0.322 118.446 118.700 0.113 0.000 2.741 496 N HA -0.177 4.563 4.740 -0.000 0.000 0.250 496 N C -0.489 175.073 175.510 0.087 0.000 1.115 496 N CA 0.872 53.969 53.050 0.078 0.000 0.724 496 N CB -0.964 37.553 38.487 0.050 0.000 1.090 496 N HN 0.321 nan 8.380 nan 0.000 0.558 497 M N -0.240 119.426 119.600 0.110 0.000 2.654 497 M HA 0.398 4.878 4.480 -0.000 0.000 0.310 497 M C -2.091 174.271 176.300 0.103 0.000 1.211 497 M CA -1.939 53.414 55.300 0.087 0.000 0.947 497 M CB 0.420 33.065 32.600 0.076 0.000 1.647 497 M HN -0.319 nan 8.290 nan 0.000 0.481 498 P HA 0.015 nan 4.420 nan 0.000 0.263 498 P C -0.598 176.858 177.300 0.260 0.000 1.195 498 P CA 0.067 63.264 63.100 0.162 0.000 0.762 498 P CB 0.181 31.978 31.700 0.161 0.000 0.799 499 Q N 7.114 127.010 119.800 0.161 0.000 2.271 499 Q HA 0.139 4.478 4.340 -0.000 0.000 0.273 499 Q C -2.236 173.734 176.000 -0.051 0.000 1.051 499 Q CA -1.861 53.987 55.803 0.074 0.000 0.901 499 Q CB -0.271 28.457 28.738 -0.016 0.000 1.174 499 Q HN 0.297 nan 8.270 nan 0.000 0.385 500 P HA 0.105 nan 4.420 nan 0.000 0.271 500 P C -1.063 175.755 177.300 -0.804 0.000 1.216 500 P CA -0.100 62.583 63.100 -0.695 0.000 0.771 500 P CB 1.002 32.414 31.700 -0.478 0.000 0.864 501 T N 3.217 117.061 114.554 -1.184 0.000 2.886 501 T HA 0.518 4.868 4.350 -0.000 0.000 0.292 501 T C -0.590 173.421 174.700 -1.148 0.000 1.012 501 T CA -0.115 61.280 62.100 -1.176 0.000 0.982 501 T CB 0.527 68.352 68.868 -1.739 0.000 1.018 501 T HN 0.048 nan 8.240 nan 0.000 0.451 502 F N 1.948 121.640 119.950 -0.429 0.000 2.422 502 F HA 0.525 5.052 4.527 -0.000 0.000 0.333 502 F C 0.607 176.390 175.800 -0.028 0.000 1.095 502 F CA -1.055 56.828 58.000 -0.195 0.000 1.038 502 F CB 1.203 40.124 39.000 -0.132 0.000 1.156 502 F HN 0.403 nan 8.300 nan 0.000 0.483 503 D N 3.414 124.014 120.400 0.333 0.000 2.375 503 D HA 0.226 4.866 4.640 -0.000 0.000 0.259 503 D C -1.775 174.668 176.300 0.239 0.000 1.235 503 D CA -0.077 54.092 54.000 0.281 0.000 0.924 503 D CB 0.278 41.266 40.800 0.312 0.000 1.143 503 D HN 0.294 nan 8.370 nan 0.000 0.529 504 F N 3.133 123.087 119.950 0.006 0.000 2.581 504 F HA 0.583 5.110 4.527 -0.000 0.000 0.311 504 F C -1.191 174.505 175.800 -0.173 0.000 1.113 504 F CA -0.604 57.330 58.000 -0.110 0.000 0.935 504 F CB 1.387 40.261 39.000 -0.209 0.000 1.232 504 F HN 0.004 nan 8.300 nan 0.000 0.445 505 R N 4.338 124.355 120.500 -0.804 0.000 2.698 505 R HA 0.355 4.695 4.340 -0.000 0.000 0.275 505 R C -1.616 174.089 176.300 -0.993 0.000 1.001 505 R CA -0.965 54.767 56.100 -0.614 0.000 0.896 505 R CB 1.754 31.891 30.300 -0.272 0.000 1.218 505 R HN 0.588 nan 8.270 nan 0.000 0.462 506 F N 2.825 122.567 119.950 -0.348 0.000 2.578 506 F HA 0.147 4.674 4.527 -0.000 0.000 0.381 506 F C -1.284 174.387 175.800 -0.215 0.000 1.069 506 F CA -0.975 56.887 58.000 -0.229 0.000 1.231 506 F CB -0.175 38.807 39.000 -0.030 0.000 1.086 506 F HN 0.130 nan 8.300 nan 0.000 0.564 507 P HA 0.110 nan 4.420 nan 0.000 0.266 507 P C -0.510 176.800 177.300 0.017 0.000 1.195 507 P CA -0.170 62.906 63.100 -0.040 0.000 0.768 507 P CB 0.514 32.203 31.700 -0.017 0.000 0.838 508 A N 2.807 125.624 122.820 -0.006 0.000 2.366 508 A HA 0.542 4.862 4.320 -0.000 0.000 0.250 508 A C 1.174 178.770 177.584 0.020 0.000 1.099 508 A CA 0.787 52.827 52.037 0.005 0.000 0.794 508 A CB -1.004 17.991 19.000 -0.008 0.000 1.056 508 A HN 0.831 nan 8.150 nan 0.000 0.499 509 G N -0.025 108.788 108.800 0.023 0.000 2.520 509 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 509 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 509 G C 1.083 176.011 174.900 0.047 0.000 1.161 509 G CA 0.849 45.968 45.100 0.033 0.000 0.946 509 G HN 1.052 nan 8.290 nan 0.000 0.565 510 R N -0.125 120.410 120.500 0.059 0.000 2.083 510 R HA -0.077 4.263 4.340 -0.000 0.000 0.237 510 R C 2.821 179.177 176.300 0.095 0.000 1.137 510 R CA 2.713 58.860 56.100 0.077 0.000 0.951 510 R CB -0.947 29.402 30.300 0.082 0.000 0.851 510 R HN 0.627 nan 8.270 nan 0.000 0.434 511 T N 0.140 114.754 114.554 0.099 0.000 2.699 511 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 511 T C 1.905 176.658 174.700 0.088 0.000 1.036 511 T CA 1.938 64.111 62.100 0.123 0.000 1.147 511 T CB -0.172 68.788 68.868 0.153 0.000 0.862 511 T HN 0.291 nan 8.240 nan 0.000 0.446 512 S N 0.296 116.029 115.700 0.055 0.000 2.395 512 S HA 0.037 4.507 4.470 -0.000 0.000 0.225 512 S C 1.991 176.596 174.600 0.007 0.000 1.027 512 S CA 0.642 58.843 58.200 0.000 0.000 0.965 512 S CB -0.116 63.079 63.200 -0.009 0.000 0.812 512 S HN 0.469 nan 8.310 nan 0.000 0.482 513 K N 1.457 121.880 120.400 0.038 0.000 2.026 513 K HA -0.129 4.191 4.320 -0.000 0.000 0.208 513 K C 1.871 178.521 176.600 0.084 0.000 1.048 513 K CA 1.400 57.718 56.287 0.052 0.000 0.929 513 K CB -0.109 32.428 32.500 0.061 0.000 0.713 513 K HN 0.360 nan 8.250 nan 0.000 0.439 514 E N -0.109 120.167 120.200 0.127 0.000 2.106 514 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 514 E C 1.970 178.642 176.600 0.119 0.000 0.984 514 E CA 0.917 57.448 56.400 0.220 0.000 0.806 514 E CB -0.087 29.780 29.700 0.278 0.000 0.750 514 E HN 0.428 nan 8.360 nan 0.000 0.458 515 A N 1.411 124.277 122.820 0.076 0.000 1.902 515 A HA -0.247 4.072 4.320 -0.000 0.000 0.217 515 A C 2.078 179.718 177.584 0.094 0.000 1.181 515 A CA 1.800 53.875 52.037 0.062 0.000 0.623 515 A CB -0.364 18.634 19.000 -0.003 0.000 0.818 515 A HN 0.127 nan 8.150 nan 0.000 0.443 516 E N 0.399 120.635 120.200 0.060 0.000 2.107 516 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 516 E C 1.278 177.853 176.600 -0.042 0.000 0.982 516 E CA 1.385 57.824 56.400 0.065 0.000 0.809 516 E CB -0.272 29.442 29.700 0.024 0.000 0.756 516 E HN 0.512 nan 8.360 nan 0.000 0.459 517 D N -0.165 120.202 120.400 -0.056 0.000 2.178 517 D HA -0.157 4.482 4.640 -0.000 0.000 0.201 517 D C 1.876 177.913 176.300 -0.438 0.000 0.980 517 D CA 1.008 54.956 54.000 -0.087 0.000 0.842 517 D CB -0.275 40.593 40.800 0.114 0.000 0.948 517 D HN 0.322 nan 8.370 nan 0.000 0.472 518 M N -0.225 118.896 119.600 -0.799 0.000 2.132 518 M HA -0.185 4.295 4.480 -0.000 0.000 0.263 518 M C 2.044 177.939 176.300 -0.676 0.000 1.065 518 M CA 1.140 55.645 55.300 -1.325 0.000 1.122 518 M CB 0.019 32.006 32.600 -1.021 0.000 1.365 518 M HN -0.055 nan 8.290 nan 0.000 0.411 519 M N 0.449 119.768 119.600 -0.470 0.000 2.080 519 M HA -0.169 4.311 4.480 -0.000 0.000 0.260 519 M C 1.777 177.875 176.300 -0.337 0.000 1.068 519 M CA 2.403 57.432 55.300 -0.452 0.000 1.109 519 M CB -0.967 31.419 32.600 -0.355 0.000 1.342 519 M HN 0.262 nan 8.290 nan 0.000 0.405 520 T N -0.088 114.332 114.554 -0.224 0.000 2.788 520 T HA -0.162 4.188 4.350 -0.000 0.000 0.268 520 T C 1.468 176.105 174.700 -0.105 0.000 1.044 520 T CA 1.761 63.783 62.100 -0.130 0.000 1.139 520 T CB -0.576 68.255 68.868 -0.060 0.000 0.867 520 T HN 0.545 nan 8.240 nan 0.000 0.454 521 D N 0.558 120.895 120.400 -0.105 0.000 2.117 521 D HA -0.051 4.589 4.640 -0.000 0.000 0.197 521 D C 2.064 178.382 176.300 0.030 0.000 0.987 521 D CA 0.821 54.877 54.000 0.093 0.000 0.829 521 D CB -0.216 40.760 40.800 0.293 0.000 0.961 521 D HN 0.287 nan 8.370 nan 0.000 0.460 522 M N -0.491 118.893 119.600 -0.359 0.000 2.117 522 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 522 M C 1.924 177.945 176.300 -0.466 0.000 1.065 522 M CA 1.283 56.102 55.300 -0.801 0.000 1.114 522 M CB -0.148 31.708 32.600 -1.240 0.000 1.361 522 M HN 0.199 nan 8.290 nan 0.000 0.408 523 C N -0.351 118.771 119.300 -0.297 0.000 2.432 523 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 523 C C 2.673 177.572 174.990 -0.151 0.000 1.249 523 C CA 0.930 59.868 59.018 -0.133 0.000 1.725 523 C CB -1.017 26.690 27.740 -0.056 0.000 2.028 523 C HN 0.494 nan 8.230 nan 0.000 0.477 524 V N 0.513 120.372 119.914 -0.092 0.000 2.307 524 V HA -0.283 3.837 4.120 -0.000 0.000 0.245 524 V C 2.395 178.473 176.094 -0.026 0.000 1.045 524 V CA 2.298 64.573 62.300 -0.041 0.000 1.024 524 V CB -0.638 31.211 31.823 0.043 0.000 0.651 524 V HN 0.590 nan 8.190 nan 0.000 0.449 525 M N 0.593 120.225 119.600 0.055 0.000 2.132 525 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 525 M C 2.460 178.661 176.300 -0.166 0.000 1.065 525 M CA 2.181 57.595 55.300 0.190 0.000 1.122 525 M CB -0.176 32.718 32.600 0.489 0.000 1.365 525 M HN 0.555 nan 8.290 nan 0.000 0.411 526 S N 0.600 115.878 115.700 -0.702 0.000 2.399 526 S HA -0.078 4.392 4.470 -0.000 0.000 0.231 526 S C 1.993 176.216 174.600 -0.629 0.000 1.022 526 S CA 1.033 58.397 58.200 -1.392 0.000 0.983 526 S CB -0.887 61.262 63.200 -1.750 0.000 0.803 526 S HN 0.573 nan 8.310 nan 0.000 0.480 527 A N 2.186 124.735 122.820 -0.452 0.000 2.070 527 A HA -0.043 4.277 4.320 -0.000 0.000 0.220 527 A C 2.169 179.633 177.584 -0.199 0.000 1.159 527 A CA 1.387 53.218 52.037 -0.343 0.000 0.656 527 A CB -0.579 18.242 19.000 -0.297 0.000 0.800 527 A HN 0.655 nan 8.150 nan 0.000 0.453 528 K N -0.690 119.635 120.400 -0.123 0.000 2.283 528 K HA -0.029 4.291 4.320 -0.000 0.000 0.202 528 K C 1.194 177.791 176.600 -0.004 0.000 1.048 528 K CA 0.941 57.201 56.287 -0.045 0.000 0.948 528 K CB -0.067 32.443 32.500 0.017 0.000 0.742 528 K HN 0.417 nan 8.250 nan 0.000 0.458 529 I N -0.761 119.823 120.570 0.023 0.000 3.172 529 I HA 0.144 4.314 4.170 -0.000 0.000 0.278 529 I C 1.117 177.252 176.117 0.031 0.000 1.174 529 I CA 0.597 61.958 61.300 0.101 0.000 1.445 529 I CB 0.100 38.303 38.000 0.338 0.000 1.175 529 I HN 0.116 nan 8.210 nan 0.000 0.447 530 G N -0.642 108.124 108.800 -0.056 0.000 2.356 530 G HA2 0.456 4.416 3.960 -0.000 0.000 0.294 530 G HA3 0.456 4.416 3.960 -0.000 0.000 0.294 530 G C -0.669 174.089 174.900 -0.236 0.000 1.423 530 G CA -0.158 44.882 45.100 -0.099 0.000 0.806 530 G HN 0.285 nan 8.290 nan 0.000 0.527 531 G N -1.189 107.468 108.800 -0.238 0.000 2.562 531 G HA2 0.565 4.525 3.960 -0.000 0.000 0.275 531 G HA3 0.565 4.525 3.960 -0.000 0.000 0.275 531 G C -0.378 174.342 174.900 -0.299 0.000 1.196 531 G CA -0.572 44.293 45.100 -0.391 0.000 0.908 531 G HN 0.445 nan 8.290 nan 0.000 0.524 532 F N -0.681 119.176 119.950 -0.155 0.000 2.518 532 F HA 0.224 4.751 4.527 -0.000 0.000 0.359 532 F C 0.710 176.448 175.800 -0.104 0.000 1.118 532 F CA -0.809 57.092 58.000 -0.165 0.000 1.287 532 F CB 0.791 39.681 39.000 -0.183 0.000 1.132 532 F HN 0.158 nan 8.300 nan 0.000 0.587 533 L N 6.114 127.398 121.223 0.102 0.000 2.418 533 L HA 0.351 4.691 4.340 -0.000 0.000 0.274 533 L C -2.404 174.491 176.870 0.040 0.000 1.135 533 L CA -1.808 53.063 54.840 0.051 0.000 0.870 533 L CB -0.084 41.998 42.059 0.038 0.000 1.154 533 L HN 0.287 nan 8.230 nan 0.000 0.462 534 P HA 0.236 nan 4.420 nan 0.000 0.265 534 P C 0.580 177.889 177.300 0.016 0.000 1.193 534 P CA 0.901 64.014 63.100 0.021 0.000 0.765 534 P CB 0.792 32.504 31.700 0.019 0.000 0.823 535 G N 2.030 110.832 108.800 0.003 0.000 2.213 535 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.236 535 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.236 535 G C 0.455 175.367 174.900 0.020 0.000 0.991 535 G CA 0.163 45.272 45.100 0.014 0.000 0.629 535 G HN 0.513 nan 8.290 nan 0.000 0.517 536 S N 0.853 116.544 115.700 -0.014 0.000 2.665 536 S HA 0.512 4.981 4.470 -0.000 0.000 0.235 536 S C 0.420 174.893 174.600 -0.212 0.000 1.084 536 S CA -0.549 57.617 58.200 -0.058 0.000 1.151 536 S CB 0.297 63.467 63.200 -0.050 0.000 1.151 536 S HN 0.475 nan 8.310 nan 0.000 0.461 537 L N 2.658 123.752 121.223 -0.215 0.000 2.464 537 L HA 0.335 4.675 4.340 -0.000 0.000 0.264 537 L C -2.017 174.538 176.870 -0.525 0.000 1.199 537 L CA -2.113 52.478 54.840 -0.415 0.000 0.818 537 L CB -0.080 41.799 42.059 -0.301 0.000 1.102 537 L HN 0.074 nan 8.230 nan 0.000 0.473 538 P HA 0.009 nan 4.420 nan 0.000 0.263 538 P C -1.448 175.594 177.300 -0.430 0.000 1.195 538 P CA 0.087 62.785 63.100 -0.669 0.000 0.762 538 P CB 0.506 31.708 31.700 -0.830 0.000 0.799 539 Q N 1.905 121.490 119.800 -0.358 0.000 2.435 539 Q HA 0.490 4.830 4.340 -0.000 0.000 0.282 539 Q C -1.376 174.442 176.000 -0.303 0.000 1.020 539 Q CA -0.920 54.744 55.803 -0.231 0.000 0.820 539 Q CB 0.803 29.470 28.738 -0.119 0.000 1.436 539 Q HN 0.099 nan 8.270 nan 0.000 0.395 540 F N 1.604 121.457 119.950 -0.162 0.000 2.443 540 F HA 0.272 4.799 4.527 -0.000 0.000 0.353 540 F C 0.581 176.284 175.800 -0.162 0.000 1.101 540 F CA -0.360 57.539 58.000 -0.168 0.000 1.226 540 F CB 0.863 39.761 39.000 -0.170 0.000 1.140 540 F HN 0.393 nan 8.300 nan 0.000 0.557 541 M N 1.914 121.479 119.600 -0.057 0.000 2.241 541 M HA 0.092 4.572 4.480 -0.000 0.000 0.335 541 M C 0.362 176.616 176.300 -0.077 0.000 1.122 541 M CA -0.389 54.811 55.300 -0.167 0.000 1.164 541 M CB 0.318 32.712 32.600 -0.344 0.000 1.459 541 M HN 0.586 nan 8.290 nan 0.000 0.461 542 E N 3.165 123.294 120.200 -0.118 0.000 2.708 542 E HA -0.059 4.291 4.350 -0.000 0.000 0.260 542 E C -2.113 174.461 176.600 -0.044 0.000 0.937 542 E CA -1.003 55.354 56.400 -0.071 0.000 0.953 542 E CB 0.298 29.935 29.700 -0.104 0.000 0.915 542 E HN 0.208 nan 8.360 nan 0.000 0.487 543 P HA 0.014 nan 4.420 nan 0.000 0.262 543 P C 0.325 177.541 177.300 -0.140 0.000 1.199 543 P CA 1.117 64.234 63.100 0.027 0.000 0.763 543 P CB 0.647 32.374 31.700 0.045 0.000 0.790 544 G N 2.794 111.512 108.800 -0.137 0.000 2.217 544 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.246 544 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.246 544 G C 0.743 175.589 174.900 -0.089 0.000 0.990 544 G CA 0.210 45.196 45.100 -0.190 0.000 0.627 544 G HN 0.544 nan 8.290 nan 0.000 0.522 545 L N 1.149 122.327 121.223 -0.075 0.000 2.187 545 L HA 0.183 4.522 4.340 -0.000 0.000 0.213 545 L C 2.716 179.600 176.870 0.022 0.000 1.100 545 L CA 2.546 57.360 54.840 -0.044 0.000 0.765 545 L CB -0.310 41.668 42.059 -0.135 0.000 0.904 545 L HN 0.494 nan 8.230 nan 0.000 0.437 546 V N 0.006 119.914 119.914 -0.009 0.000 2.720 546 V HA -0.170 3.950 4.120 -0.000 0.000 0.256 546 V C 1.586 177.655 176.094 -0.042 0.000 1.082 546 V CA 1.217 63.506 62.300 -0.020 0.000 1.101 546 V CB -0.396 31.411 31.823 -0.027 0.000 0.693 546 V HN 0.518 nan 8.190 nan 0.000 0.479 547 L N 0.120 121.381 121.223 0.063 0.000 3.634 547 L HA -0.256 4.084 4.340 -0.000 0.000 0.423 547 L C 0.351 177.434 176.870 0.355 0.000 1.253 547 L CA 0.914 55.859 54.840 0.174 0.000 0.885 547 L CB -2.492 39.705 42.059 0.230 0.000 1.789 547 L HN 0.572 nan 8.230 nan 0.000 0.904 548 H N -0.796 118.401 119.070 0.213 0.000 2.492 548 H HA 0.275 4.830 4.556 -0.000 0.000 0.264 548 H C 0.523 176.002 175.328 0.252 0.000 1.150 548 H CA -1.083 55.127 56.048 0.271 0.000 0.962 548 H CB 0.747 30.711 29.762 0.337 0.000 1.766 548 H HN 0.207 nan 8.280 nan 0.000 0.589 549 L N 1.957 123.337 121.223 0.262 0.000 2.540 549 L HA 0.207 4.547 4.340 -0.000 0.000 0.276 549 L C 0.584 177.597 176.870 0.237 0.000 1.212 549 L CA 0.767 55.709 54.840 0.169 0.000 0.893 549 L CB 0.344 42.464 42.059 0.101 0.000 1.138 549 L HN 0.276 nan 8.230 nan 0.000 0.491 550 G N 1.845 110.797 108.800 0.253 0.000 2.733 550 G HA2 0.548 4.508 3.960 -0.000 0.000 0.288 550 G HA3 0.548 4.508 3.960 -0.000 0.000 0.288 550 G C 0.303 175.316 174.900 0.188 0.000 1.373 550 G CA -0.288 44.977 45.100 0.276 0.000 0.895 550 G HN 1.334 nan 8.290 nan 0.000 0.479 551 G N -1.212 107.664 108.800 0.127 0.000 2.179 551 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.260 551 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.260 551 G C 1.420 176.390 174.900 0.116 0.000 0.977 551 G CA 1.535 46.717 45.100 0.137 0.000 0.641 551 G HN 1.897 nan 8.290 nan 0.000 0.533 552 T N -1.711 112.869 114.554 0.044 0.000 3.007 552 T HA 0.124 4.474 4.350 -0.000 0.000 0.270 552 T C 1.072 175.873 174.700 0.168 0.000 1.107 552 T CA 1.922 64.090 62.100 0.114 0.000 1.118 552 T CB -0.329 68.613 68.868 0.122 0.000 0.889 552 T HN 1.547 nan 8.240 nan 0.000 0.506 553 H N -0.351 118.795 119.070 0.127 0.000 2.823 553 H HA 0.450 5.006 4.556 -0.000 0.000 0.222 553 H C -0.141 175.229 175.328 0.071 0.000 1.414 553 H CA -1.336 54.761 56.048 0.082 0.000 1.289 553 H CB -0.363 29.413 29.762 0.024 0.000 1.970 553 H HN 0.361 nan 8.280 nan 0.000 0.517 554 R N 0.712 121.302 120.500 0.151 0.000 2.641 554 R HA 0.315 4.654 4.340 -0.000 0.000 0.269 554 R C -0.349 176.011 176.300 0.099 0.000 1.074 554 R CA -0.747 55.411 56.100 0.097 0.000 1.133 554 R CB 1.023 31.373 30.300 0.083 0.000 1.029 554 R HN 0.461 nan 8.270 nan 0.000 0.488 555 M N 1.699 121.333 119.600 0.056 0.000 2.249 555 M HA 0.418 4.898 4.480 -0.000 0.000 0.351 555 M C -0.510 175.782 176.300 -0.013 0.000 1.180 555 M CA 0.273 55.580 55.300 0.011 0.000 1.127 555 M CB 1.447 34.027 32.600 -0.033 0.000 1.546 555 M HN 0.956 nan 8.290 nan 0.000 0.461 556 G N 2.302 111.102 108.800 -0.001 0.000 2.606 556 G HA2 0.430 4.390 3.960 -0.000 0.000 0.300 556 G HA3 0.430 4.390 3.960 -0.000 0.000 0.300 556 G C -0.893 173.976 174.900 -0.052 0.000 1.360 556 G CA -0.666 44.382 45.100 -0.086 0.000 0.783 556 G HN 0.682 nan 8.290 nan 0.000 0.484 557 F N -0.155 119.896 119.950 0.169 0.000 2.270 557 F HA 0.261 4.788 4.527 -0.000 0.000 0.295 557 F C 1.149 177.076 175.800 0.212 0.000 1.087 557 F CA 0.873 58.977 58.000 0.174 0.000 1.365 557 F CB 0.615 39.675 39.000 0.099 0.000 1.056 557 F HN 0.244 nan 8.300 nan 0.000 0.506 558 D N -0.088 120.465 120.400 0.254 0.000 2.620 558 D HA 0.052 4.691 4.640 -0.000 0.000 0.252 558 D C 0.645 176.786 176.300 -0.263 0.000 1.207 558 D CA -0.061 53.937 54.000 -0.002 0.000 0.884 558 D CB 1.622 42.443 40.800 0.035 0.000 1.262 558 D HN 0.188 nan 8.370 nan 0.000 0.552 559 E N 3.497 123.199 120.200 -0.829 0.000 2.086 559 E HA -0.270 4.079 4.350 -0.000 0.000 0.200 559 E C 1.518 177.940 176.600 -0.297 0.000 1.012 559 E CA 1.570 57.478 56.400 -0.820 0.000 0.812 559 E CB 0.319 29.438 29.700 -0.969 0.000 0.743 559 E HN 0.436 nan 8.360 nan 0.000 0.453 560 K N 0.048 120.323 120.400 -0.209 0.000 2.044 560 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 560 K C 2.097 178.666 176.600 -0.051 0.000 1.045 560 K CA 1.226 57.458 56.287 -0.092 0.000 0.951 560 K CB 0.002 32.463 32.500 -0.065 0.000 0.738 560 K HN 0.084 nan 8.250 nan 0.000 0.443 561 E N 0.407 120.583 120.200 -0.041 0.000 2.110 561 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 561 E C 0.865 177.465 176.600 -0.000 0.000 0.988 561 E CA 1.103 57.500 56.400 -0.005 0.000 0.804 561 E CB 0.087 29.796 29.700 0.015 0.000 0.745 561 E HN 0.384 nan 8.360 nan 0.000 0.458 562 D N 0.101 120.495 120.400 -0.010 0.000 2.340 562 D HA 0.035 4.675 4.640 -0.000 0.000 0.217 562 D C -0.562 175.675 176.300 -0.106 0.000 1.081 562 D CA -0.002 53.988 54.000 -0.016 0.000 0.842 562 D CB -0.052 40.777 40.800 0.049 0.000 0.934 562 D HN 0.087 nan 8.370 nan 0.000 0.511 563 N N 0.585 119.218 118.700 -0.113 0.000 2.650 563 N HA -0.197 4.543 4.740 -0.000 0.000 0.272 563 N C -0.247 175.183 175.510 -0.133 0.000 1.058 563 N CA 0.549 53.510 53.050 -0.149 0.000 0.765 563 N CB -1.340 36.930 38.487 -0.362 0.000 0.902 563 N HN 0.391 nan 8.380 nan 0.000 0.551 564 C N -3.171 116.123 119.300 -0.009 0.000 3.259 564 C HA 0.774 5.234 4.460 -0.000 0.000 0.328 564 C C 1.364 176.510 174.990 0.260 0.000 1.425 564 C CA -0.677 58.406 59.018 0.108 0.000 1.465 564 C CB 1.559 29.386 27.740 0.145 0.000 1.890 564 C HN 0.513 nan 8.230 nan 0.000 0.450 565 C N 0.195 119.684 119.300 0.315 0.000 2.937 565 C HA 0.485 4.944 4.460 -0.000 0.000 0.426 565 C C 0.709 175.825 174.990 0.210 0.000 1.321 565 C CA 0.620 59.827 59.018 0.315 0.000 2.082 565 C CB -0.330 27.520 27.740 0.183 0.000 2.834 565 C HN 0.945 nan 8.230 nan 0.000 0.593 566 V N 1.272 121.200 119.914 0.023 0.000 3.001 566 V HA 0.718 4.838 4.120 -0.000 0.000 0.314 566 V C -0.749 175.026 176.094 -0.532 0.000 1.099 566 V CA -0.628 61.447 62.300 -0.375 0.000 0.989 566 V CB 1.558 33.266 31.823 -0.192 0.000 1.040 566 V HN 0.412 nan 8.190 nan 0.000 0.434 567 N N 0.546 118.775 118.700 -0.785 0.000 2.495 567 N HA 0.280 5.020 4.740 -0.000 0.000 0.294 567 N C 1.014 176.372 175.510 -0.253 0.000 1.276 567 N CA 0.211 52.984 53.050 -0.462 0.000 0.973 567 N CB -0.033 38.184 38.487 -0.449 0.000 1.143 567 N HN 0.915 nan 8.380 nan 0.000 0.589 568 T N -4.542 109.904 114.554 -0.179 0.000 3.113 568 T HA 0.011 4.361 4.350 -0.000 0.000 0.263 568 T C 0.109 174.727 174.700 -0.137 0.000 1.143 568 T CA 0.647 62.648 62.100 -0.164 0.000 1.090 568 T CB -0.384 68.407 68.868 -0.129 0.000 0.922 568 T HN 0.437 nan 8.240 nan 0.000 0.521 569 D N 1.151 121.461 120.400 -0.151 0.000 2.328 569 D HA 0.175 4.814 4.640 -0.000 0.000 0.221 569 D C 0.568 176.868 176.300 -0.001 0.000 1.072 569 D CA 0.127 54.060 54.000 -0.111 0.000 0.850 569 D CB 0.055 40.665 40.800 -0.316 0.000 0.922 569 D HN 0.334 nan 8.370 nan 0.000 0.516 570 S N 0.229 115.896 115.700 -0.055 0.000 3.561 570 S HA -0.256 4.214 4.470 -0.000 0.000 0.318 570 S C 0.532 175.124 174.600 -0.012 0.000 1.181 570 S CA 0.422 58.629 58.200 0.011 0.000 0.916 570 S CB -1.372 61.910 63.200 0.136 0.000 0.966 570 S HN 0.463 nan 8.310 nan 0.000 0.550 571 R N 1.176 121.539 120.500 -0.229 0.000 2.297 571 R HA 0.459 4.799 4.340 -0.000 0.000 0.308 571 R C -0.017 175.975 176.300 -0.513 0.000 1.029 571 R CA -0.442 55.328 56.100 -0.550 0.000 0.929 571 R CB 0.696 30.632 30.300 -0.607 0.000 1.046 571 R HN 0.143 nan 8.270 nan 0.000 0.461 572 V N 6.215 125.861 119.914 -0.446 0.000 2.540 572 V HA -0.026 4.094 4.120 -0.000 0.000 0.297 572 V C 0.238 176.270 176.094 -0.103 0.000 1.024 572 V CA 0.327 62.457 62.300 -0.284 0.000 1.105 572 V CB -0.221 31.411 31.823 -0.319 0.000 0.938 572 V HN 0.558 nan 8.190 nan 0.000 0.482 573 F N 3.847 123.835 119.950 0.062 0.000 2.623 573 F HA 0.392 4.919 4.527 -0.000 0.000 0.383 573 F C 1.582 177.510 175.800 0.214 0.000 1.077 573 F CA 1.514 59.575 58.000 0.103 0.000 1.268 573 F CB -0.005 39.049 39.000 0.089 0.000 1.053 573 F HN 0.793 nan 8.300 nan 0.000 0.571 574 G N 2.183 111.169 108.800 0.310 0.000 2.253 574 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.251 574 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.251 574 G C -0.080 174.768 174.900 -0.087 0.000 0.998 574 G CA -0.411 44.754 45.100 0.109 0.000 0.621 574 G HN 0.443 nan 8.290 nan 0.000 0.524 575 F N 1.078 121.050 119.950 0.036 0.000 2.436 575 F HA 0.583 5.110 4.527 -0.000 0.000 0.340 575 F C 1.465 177.254 175.800 -0.019 0.000 1.113 575 F CA -0.709 57.298 58.000 0.011 0.000 1.022 575 F CB 1.703 40.704 39.000 0.002 0.000 1.128 575 F HN -0.114 nan 8.300 nan 0.000 0.466 576 K N 1.229 121.735 120.400 0.177 0.000 2.148 576 K HA -0.094 4.226 4.320 -0.000 0.000 0.204 576 K C 0.768 177.580 176.600 0.353 0.000 1.050 576 K CA 1.312 57.741 56.287 0.238 0.000 0.942 576 K CB 0.001 32.648 32.500 0.245 0.000 0.724 576 K HN 0.578 nan 8.250 nan 0.000 0.446 577 N N 0.067 118.928 118.700 0.268 0.000 2.307 577 N HA 0.038 4.778 4.740 -0.000 0.000 0.248 577 N C -0.944 174.652 175.510 0.143 0.000 1.322 577 N CA -0.297 52.941 53.050 0.314 0.000 0.861 577 N CB 0.194 38.915 38.487 0.391 0.000 1.303 577 N HN -0.038 nan 8.380 nan 0.000 0.498 578 L N 0.741 121.825 121.223 -0.233 0.000 2.349 578 L HA 0.710 5.050 4.340 -0.000 0.000 0.278 578 L C -1.845 174.631 176.870 -0.655 0.000 0.996 578 L CA -0.614 54.069 54.840 -0.261 0.000 0.825 578 L CB 0.944 42.829 42.059 -0.291 0.000 1.243 578 L HN -0.016 nan 8.230 nan 0.000 0.412 579 F N 4.903 124.770 119.950 -0.138 0.000 2.565 579 F HA 0.647 5.174 4.527 -0.000 0.000 0.313 579 F C -0.618 175.037 175.800 -0.242 0.000 1.091 579 F CA -0.679 57.226 58.000 -0.159 0.000 0.915 579 F CB 1.873 40.816 39.000 -0.095 0.000 1.208 579 F HN 0.189 nan 8.300 nan 0.000 0.453 580 L N 1.964 123.151 121.223 -0.060 0.000 2.334 580 L HA 0.892 5.232 4.340 -0.000 0.000 0.276 580 L C 0.090 176.980 176.870 0.033 0.000 1.014 580 L CA -0.839 53.901 54.840 -0.167 0.000 0.815 580 L CB 1.909 43.718 42.059 -0.417 0.000 1.268 580 L HN 0.788 nan 8.230 nan 0.000 0.428 581 G N 0.279 109.109 108.800 0.050 0.000 2.524 581 G HA2 0.783 4.743 3.960 -0.000 0.000 0.310 581 G HA3 0.783 4.743 3.960 -0.000 0.000 0.310 581 G C -0.502 174.523 174.900 0.209 0.000 1.279 581 G CA -0.238 44.991 45.100 0.215 0.000 0.974 581 G HN 0.966 nan 8.290 nan 0.000 0.484 582 G N -1.098 107.816 108.800 0.189 0.000 2.347 582 G HA2 0.061 4.021 3.960 -0.000 0.000 0.341 582 G HA3 0.061 4.021 3.960 -0.000 0.000 0.341 582 G C 0.763 175.711 174.900 0.080 0.000 1.287 582 G CA 0.091 45.272 45.100 0.135 0.000 0.984 582 G HN 1.126 nan 8.290 nan 0.000 0.526 583 C N 0.716 120.042 119.300 0.043 0.000 2.419 583 C HA 0.197 4.657 4.460 -0.000 0.000 0.283 583 C C 3.065 178.029 174.990 -0.042 0.000 1.373 583 C CA 1.831 60.855 59.018 0.010 0.000 1.781 583 C CB -1.361 26.421 27.740 0.069 0.000 1.886 583 C HN 1.271 nan 8.230 nan 0.000 0.520 584 G N 1.301 109.984 108.800 -0.195 0.000 2.485 584 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.221 584 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.221 584 G C 1.430 175.959 174.900 -0.619 0.000 1.115 584 G CA 0.902 45.596 45.100 -0.675 0.000 0.751 584 G HN 0.561 nan 8.290 nan 0.000 0.567 585 N N 0.388 118.945 118.700 -0.238 0.000 2.331 585 N HA 0.012 4.751 4.740 -0.000 0.000 0.180 585 N C 0.994 176.516 175.510 0.020 0.000 1.019 585 N CA 0.175 53.229 53.050 0.006 0.000 0.881 585 N CB -0.019 38.526 38.487 0.096 0.000 0.972 585 N HN 0.305 nan 8.380 nan 0.000 0.435 586 I N 3.357 123.937 120.570 0.018 0.000 2.581 586 I HA 0.011 4.181 4.170 -0.000 0.000 0.285 586 I C -1.328 174.877 176.117 0.145 0.000 1.129 586 I CA -0.823 60.513 61.300 0.060 0.000 1.397 586 I CB 1.040 39.020 38.000 -0.034 0.000 1.399 586 I HN -0.037 nan 8.210 nan 0.000 0.537 587 P HA 0.059 nan 4.420 nan 0.000 0.267 587 P C 0.275 177.672 177.300 0.161 0.000 1.289 587 P CA 0.182 63.358 63.100 0.126 0.000 0.866 587 P CB 0.229 31.965 31.700 0.059 0.000 1.309 588 T N -2.248 112.436 114.554 0.218 0.000 2.884 588 T HA 0.685 5.035 4.350 -0.000 0.000 0.277 588 T C 0.153 174.997 174.700 0.241 0.000 0.976 588 T CA -0.863 61.356 62.100 0.199 0.000 0.956 588 T CB 1.130 70.096 68.868 0.162 0.000 1.113 588 T HN 0.046 nan 8.240 nan 0.000 0.554 589 A N 1.638 124.538 122.820 0.134 0.000 2.269 589 A HA 0.623 4.943 4.320 -0.000 0.000 0.302 589 A C -0.727 176.844 177.584 -0.022 0.000 1.266 589 A CA -0.892 51.176 52.037 0.051 0.000 0.894 589 A CB -0.806 18.238 19.000 0.074 0.000 1.147 589 A HN 0.884 nan 8.150 nan 0.000 0.537 590 Y N -0.224 120.009 120.300 -0.111 0.000 2.477 590 Y HA 0.709 5.259 4.550 -0.000 0.000 0.347 590 Y C 0.685 176.477 175.900 -0.180 0.000 0.981 590 Y CA -0.651 57.202 58.100 -0.412 0.000 1.033 590 Y CB 1.470 39.492 38.460 -0.730 0.000 1.245 590 Y HN 0.395 nan 8.280 nan 0.000 0.455 591 G N 0.845 109.569 108.800 -0.127 0.000 2.709 591 G HA2 0.393 4.353 3.960 -0.000 0.000 0.208 591 G HA3 0.393 4.353 3.960 -0.000 0.000 0.208 591 G C 0.474 175.460 174.900 0.143 0.000 1.129 591 G CA 0.191 45.400 45.100 0.181 0.000 0.793 591 G HN 0.954 nan 8.290 nan 0.000 0.524 592 A N 0.730 123.454 122.820 -0.161 0.000 2.327 592 A HA 0.479 4.798 4.320 -0.000 0.000 0.255 592 A C -0.074 177.443 177.584 -0.111 0.000 1.099 592 A CA -0.469 51.370 52.037 -0.330 0.000 0.801 592 A CB 0.041 18.826 19.000 -0.358 0.000 1.062 592 A HN 0.346 nan 8.150 nan 0.000 0.496 593 N N 1.561 120.078 118.700 -0.304 0.000 2.468 593 N HA 0.251 4.991 4.740 -0.000 0.000 0.265 593 N C -2.023 173.432 175.510 -0.091 0.000 1.199 593 N CA -0.941 51.923 53.050 -0.310 0.000 0.928 593 N CB 0.525 38.891 38.487 -0.202 0.000 1.059 593 N HN 0.407 nan 8.380 nan 0.000 0.467 594 P HA -0.016 nan 4.420 nan 0.000 0.240 594 P C 0.488 177.707 177.300 -0.135 0.000 1.190 594 P CA 0.689 63.710 63.100 -0.131 0.000 0.781 594 P CB 0.339 31.947 31.700 -0.153 0.000 0.931 595 T N 0.918 115.468 114.554 -0.007 0.000 2.746 595 T HA -0.122 4.227 4.350 -0.000 0.000 0.267 595 T C 1.771 176.570 174.700 0.164 0.000 1.039 595 T CA 0.935 63.086 62.100 0.086 0.000 1.142 595 T CB -0.782 68.169 68.868 0.138 0.000 0.866 595 T HN 0.018 nan 8.240 nan 0.000 0.444 596 L N 1.054 122.390 121.223 0.189 0.000 2.046 596 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 596 L C 2.517 179.476 176.870 0.149 0.000 1.077 596 L CA 1.741 56.743 54.840 0.270 0.000 0.747 596 L CB -1.031 41.166 42.059 0.230 0.000 0.896 596 L HN 0.185 nan 8.230 nan 0.000 0.432 597 T N -0.378 114.137 114.554 -0.066 0.000 2.708 597 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 597 T C 1.911 176.539 174.700 -0.120 0.000 1.037 597 T CA 1.315 63.280 62.100 -0.224 0.000 1.146 597 T CB -0.522 67.818 68.868 -0.881 0.000 0.865 597 T HN 0.522 nan 8.240 nan 0.000 0.435 598 A N 1.505 124.258 122.820 -0.111 0.000 1.908 598 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 598 A C 2.316 179.874 177.584 -0.043 0.000 1.181 598 A CA 1.950 53.957 52.037 -0.050 0.000 0.627 598 A CB -0.752 18.238 19.000 -0.018 0.000 0.818 598 A HN 0.541 nan 8.150 nan 0.000 0.445 599 M N -0.353 119.230 119.600 -0.028 0.000 2.086 599 M HA -0.145 4.335 4.480 -0.000 0.000 0.261 599 M C 2.171 178.388 176.300 -0.139 0.000 1.067 599 M CA 2.159 57.412 55.300 -0.078 0.000 1.116 599 M CB -0.177 32.378 32.600 -0.075 0.000 1.348 599 M HN 0.371 nan 8.290 nan 0.000 0.407 600 S N 1.211 116.832 115.700 -0.132 0.000 2.370 600 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 600 S C 1.766 176.175 174.600 -0.318 0.000 1.033 600 S CA 1.505 59.559 58.200 -0.243 0.000 1.011 600 S CB -0.594 62.422 63.200 -0.308 0.000 0.852 600 S HN 0.517 nan 8.310 nan 0.000 0.457 601 L N 0.985 122.060 121.223 -0.246 0.000 2.083 601 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 601 L C 2.788 179.523 176.870 -0.224 0.000 1.083 601 L CA 1.190 55.887 54.840 -0.239 0.000 0.752 601 L CB -0.720 41.270 42.059 -0.115 0.000 0.899 601 L HN 0.334 nan 8.230 nan 0.000 0.433 602 A N 0.365 123.048 122.820 -0.228 0.000 1.902 602 A HA -0.166 4.153 4.320 -0.000 0.000 0.217 602 A C 2.208 179.470 177.584 -0.536 0.000 1.181 602 A CA 1.397 53.184 52.037 -0.418 0.000 0.623 602 A CB -0.615 18.146 19.000 -0.398 0.000 0.818 602 A HN 0.343 nan 8.150 nan 0.000 0.443 603 I N -0.448 119.906 120.570 -0.361 0.000 2.163 603 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 603 I C 2.545 178.499 176.117 -0.271 0.000 1.085 603 I CA 1.984 63.107 61.300 -0.296 0.000 1.347 603 I CB -0.261 37.588 38.000 -0.252 0.000 1.044 603 I HN 0.372 nan 8.210 nan 0.000 0.408 604 K N 0.476 120.710 120.400 -0.277 0.000 2.097 604 K HA -0.219 4.100 4.320 -0.000 0.000 0.206 604 K C 2.358 178.867 176.600 -0.152 0.000 1.049 604 K CA 1.764 57.917 56.287 -0.224 0.000 0.933 604 K CB -0.107 32.225 32.500 -0.279 0.000 0.717 604 K HN 0.148 nan 8.250 nan 0.000 0.442 605 S N -0.062 115.528 115.700 -0.183 0.000 2.368 605 S HA -0.156 4.314 4.470 -0.000 0.000 0.225 605 S C 2.036 176.541 174.600 -0.158 0.000 1.030 605 S CA 1.416 59.556 58.200 -0.100 0.000 0.999 605 S CB -0.453 62.727 63.200 -0.033 0.000 0.844 605 S HN 0.569 nan 8.310 nan 0.000 0.459 606 C N 1.578 120.700 119.300 -0.297 0.000 2.422 606 C HA -0.007 4.453 4.460 -0.000 0.000 0.279 606 C C 2.491 177.407 174.990 -0.124 0.000 1.305 606 C CA 0.732 59.599 59.018 -0.251 0.000 1.757 606 C CB -1.503 26.054 27.740 -0.305 0.000 1.962 606 C HN 0.681 nan 8.230 nan 0.000 0.499 607 E N -0.517 119.629 120.200 -0.090 0.000 2.051 607 E HA -0.257 4.093 4.350 -0.000 0.000 0.192 607 E C 1.862 178.471 176.600 0.015 0.000 0.991 607 E CA 1.536 57.914 56.400 -0.036 0.000 0.799 607 E CB -0.336 29.337 29.700 -0.046 0.000 0.748 607 E HN 0.821 nan 8.360 nan 0.000 0.449 608 Y N 1.302 121.572 120.300 -0.050 0.000 2.181 608 Y HA -0.224 4.326 4.550 -0.000 0.000 0.288 608 Y C 1.990 177.924 175.900 0.057 0.000 1.146 608 Y CA 1.487 59.600 58.100 0.021 0.000 1.164 608 Y CB -0.100 38.410 38.460 0.083 0.000 0.982 608 Y HN -0.049 nan 8.280 nan 0.000 0.515 609 I N 0.328 120.933 120.570 0.058 0.000 2.163 609 I HA -0.356 3.814 4.170 -0.000 0.000 0.243 609 I C 2.192 178.374 176.117 0.107 0.000 1.085 609 I CA 1.818 63.145 61.300 0.044 0.000 1.347 609 I CB -0.399 37.425 38.000 -0.293 0.000 1.044 609 I HN 0.166 nan 8.210 nan 0.000 0.408 610 K N 0.309 120.743 120.400 0.056 0.000 2.283 610 K HA -0.168 4.152 4.320 -0.000 0.000 0.202 610 K C 1.961 178.593 176.600 0.054 0.000 1.048 610 K CA 0.997 57.374 56.287 0.150 0.000 0.948 610 K CB -0.093 32.468 32.500 0.102 0.000 0.742 610 K HN 0.426 nan 8.250 nan 0.000 0.458 611 Q N -0.148 119.614 119.800 -0.063 0.000 2.432 611 Q HA 0.062 4.401 4.340 -0.000 0.000 0.205 611 Q C 0.968 176.829 176.000 -0.232 0.000 0.945 611 Q CA 0.557 56.276 55.803 -0.140 0.000 0.924 611 Q CB 0.415 29.041 28.738 -0.186 0.000 1.016 611 Q HN 0.271 nan 8.270 nan 0.000 0.503 612 N N -1.164 117.367 118.700 -0.283 0.000 2.168 612 N HA 0.144 4.884 4.740 -0.000 0.000 0.216 612 N C -0.968 174.102 175.510 -0.733 0.000 1.259 612 N CA 0.247 52.979 53.050 -0.530 0.000 0.902 612 N CB 1.095 39.108 38.487 -0.791 0.000 1.079 612 N HN -0.002 nan 8.380 nan 0.000 0.507 613 F N 0.672 120.650 119.950 0.048 0.000 2.569 613 F HA 0.345 4.872 4.527 -0.000 0.000 0.312 613 F C 0.107 176.032 175.800 0.208 0.000 1.109 613 F CA -0.651 57.435 58.000 0.143 0.000 0.919 613 F CB 1.823 40.926 39.000 0.172 0.000 1.211 613 F HN -0.381 nan 8.300 nan 0.000 0.446 614 T N 4.015 118.731 114.554 0.270 0.000 2.799 614 T HA 0.403 4.753 4.350 -0.000 0.000 0.286 614 T C -2.540 172.181 174.700 0.035 0.000 0.973 614 T CA -1.378 60.779 62.100 0.094 0.000 1.035 614 T CB 0.980 69.872 68.868 0.041 0.000 0.932 614 T HN 0.136 nan 8.240 nan 0.000 0.469 615 P HA 0.159 nan 4.420 nan 0.000 0.268 615 P C 0.001 177.246 177.300 -0.093 0.000 1.205 615 P CA -0.483 62.405 63.100 -0.353 0.000 0.771 615 P CB 0.299 31.614 31.700 -0.641 0.000 0.858 616 S N 3.262 118.955 115.700 -0.012 0.000 2.573 616 S HA 0.274 4.744 4.470 -0.000 0.000 0.277 616 S C -2.189 172.415 174.600 0.007 0.000 1.346 616 S CA -0.969 57.235 58.200 0.007 0.000 1.034 616 S CB -0.872 62.335 63.200 0.012 0.000 0.879 616 S HN 0.259 nan 8.310 nan 0.000 0.528 617 P HA 0.170 nan 4.420 nan 0.000 0.265 617 P C -0.678 176.668 177.300 0.076 0.000 1.193 617 P CA -0.296 62.832 63.100 0.046 0.000 0.765 617 P CB 0.057 31.775 31.700 0.030 0.000 0.823 618 F N 4.089 124.025 119.950 -0.023 0.000 2.467 618 F HA 0.405 4.931 4.527 -0.000 0.000 0.362 618 F C 0.363 176.156 175.800 -0.011 0.000 1.090 618 F CA 0.638 58.629 58.000 -0.014 0.000 1.202 618 F CB 0.240 39.233 39.000 -0.012 0.000 1.113 618 F HN 0.423 nan 8.300 nan 0.000 0.541 619 T N 0.000 114.330 114.554 -0.374 0.000 3.816 619 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 619 T CA 0.000 62.001 62.100 -0.164 0.000 1.349 619 T CB 0.000 68.823 68.868 -0.075 0.000 0.612 619 T HN 0.000 nan 8.240 nan 0.000 0.658