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 2oau_1_B DATA FIRST_RESID 27 DATA SEQUENCE YAVNIVAALA IIIVGLIIAR MISNAVNRLM ISRKIDATVA DFLSALVRYG DATA SEQUENCE IIAFTLIAAL GRVGVQTASV IAVLGAAGLA VGLALQGSLS NLAAGVLLVM DATA SEQUENCE FRPFRAGEYV DLGGVAGTVL SVQIFSTTMR TADGKIIVIP NGKIIAGNII DATA SEQUENCE NFSREPVRRN EFIIGVAYDS DIDQVKQILT NIIQSEDRIL KDREMTVRLN DATA SEQUENCE ELGASSINFV VRVWSNSGDL QNVYWDVLER IKREFDAAGI SFPYPQMDVN DATA SEQUENCE FKRV 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 27 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 27 Y C 0.000 175.895 175.900 -0.008 0.000 1.272 27 Y CA 0.000 58.096 58.100 -0.007 0.000 1.940 27 Y CB 0.000 38.456 38.460 -0.006 0.000 1.050 28 A N 0.262 123.181 122.820 0.165 0.000 1.898 28 A HA -0.027 4.291 4.320 -0.002 0.000 0.216 28 A C 1.957 179.569 177.584 0.046 0.000 1.181 28 A CA 2.256 54.342 52.037 0.082 0.000 0.620 28 A CB -0.934 18.101 19.000 0.059 0.000 0.819 28 A HN 0.189 8.339 8.150 -0.000 0.000 0.442 29 V N 1.228 121.169 119.914 0.045 0.000 2.407 29 V HA -0.263 3.855 4.120 -0.002 0.000 0.248 29 V C 2.218 178.313 176.094 0.003 0.000 1.055 29 V CA 2.012 64.325 62.300 0.021 0.000 1.049 29 V CB -0.972 30.865 31.823 0.022 0.000 0.662 29 V HN 0.557 8.747 8.190 -0.000 0.000 0.455 30 N N 0.253 118.949 118.700 -0.006 0.000 2.135 30 N HA -0.008 4.730 4.740 -0.002 0.000 0.186 30 N C 1.861 177.350 175.510 -0.035 0.000 1.027 30 N CA 1.532 54.557 53.050 -0.040 0.000 0.849 30 N CB -0.102 38.329 38.487 -0.094 0.000 1.002 30 N HN 0.425 8.805 8.380 -0.000 0.000 0.425 31 I N 0.768 121.328 120.570 -0.018 0.000 2.353 31 I HA -0.158 4.011 4.170 -0.002 0.000 0.248 31 I C 2.124 178.233 176.117 -0.014 0.000 1.119 31 I CA 0.593 61.884 61.300 -0.015 0.000 1.417 31 I CB -0.119 37.884 38.000 0.004 0.000 1.078 31 I HN -0.116 8.094 8.210 -0.000 0.000 0.421 32 V N 1.135 121.046 119.914 -0.005 0.000 2.358 32 V HA -0.247 3.871 4.120 -0.002 0.000 0.246 32 V C 2.756 178.841 176.094 -0.015 0.000 1.047 32 V CA 1.927 64.223 62.300 -0.007 0.000 1.035 32 V CB -0.903 30.920 31.823 0.001 0.000 0.658 32 V HN 0.470 8.660 8.190 -0.000 0.000 0.452 33 A N 0.013 122.822 122.820 -0.017 0.000 1.933 33 A HA -0.132 4.187 4.320 -0.002 0.000 0.218 33 A C 2.408 179.971 177.584 -0.035 0.000 1.175 33 A CA 2.115 54.138 52.037 -0.023 0.000 0.628 33 A CB -0.713 18.273 19.000 -0.023 0.000 0.814 33 A HN 0.567 8.717 8.150 -0.000 0.000 0.444 34 A N -0.235 122.561 122.820 -0.040 0.000 1.898 34 A HA -0.009 4.310 4.320 -0.002 0.000 0.216 34 A C 2.159 179.712 177.584 -0.051 0.000 1.181 34 A CA 1.470 53.476 52.037 -0.052 0.000 0.620 34 A CB -0.571 18.398 19.000 -0.051 0.000 0.819 34 A HN 0.472 8.622 8.150 -0.000 0.000 0.442 35 L N -0.844 120.357 121.223 -0.038 0.000 2.093 35 L HA -0.135 4.204 4.340 -0.002 0.000 0.208 35 L C 3.054 179.904 176.870 -0.033 0.000 1.085 35 L CA 0.946 55.766 54.840 -0.034 0.000 0.755 35 L CB -0.567 41.477 42.059 -0.023 0.000 0.904 35 L HN 0.418 8.648 8.230 -0.000 0.000 0.435 36 A N 0.331 123.133 122.820 -0.029 0.000 1.933 36 A HA -0.154 4.164 4.320 -0.002 0.000 0.218 36 A C 2.224 179.788 177.584 -0.033 0.000 1.175 36 A CA 1.424 53.447 52.037 -0.025 0.000 0.628 36 A CB -0.594 18.395 19.000 -0.018 0.000 0.814 36 A HN 0.364 8.514 8.150 -0.000 0.000 0.444 37 I N -0.425 120.117 120.570 -0.048 0.000 2.286 37 I HA -0.212 3.957 4.170 -0.002 0.000 0.245 37 I C 2.221 178.289 176.117 -0.082 0.000 1.104 37 I CA 1.059 62.318 61.300 -0.069 0.000 1.397 37 I CB -0.298 37.644 38.000 -0.096 0.000 1.072 37 I HN 0.292 8.502 8.210 -0.000 0.000 0.417 38 I N 0.862 121.385 120.570 -0.077 0.000 2.226 38 I HA -0.303 3.866 4.170 -0.002 0.000 0.245 38 I C 2.436 178.522 176.117 -0.052 0.000 1.100 38 I CA 1.692 62.947 61.300 -0.076 0.000 1.374 38 I CB -0.263 37.699 38.000 -0.064 0.000 1.057 38 I HN 0.177 8.387 8.210 -0.000 0.000 0.413 39 I N -0.068 120.479 120.570 -0.038 0.000 2.252 39 I HA -0.209 3.960 4.170 -0.002 0.000 0.245 39 I C 2.490 178.597 176.117 -0.017 0.000 1.102 39 I CA 1.014 62.300 61.300 -0.023 0.000 1.385 39 I CB -0.408 37.582 38.000 -0.017 0.000 1.064 39 I HN -0.003 8.207 8.210 -0.000 0.000 0.414 40 V N 1.296 121.199 119.914 -0.019 0.000 2.490 40 V HA -0.193 3.926 4.120 -0.002 0.000 0.250 40 V C 2.567 178.661 176.094 -0.001 0.000 1.061 40 V CA 2.101 64.398 62.300 -0.006 0.000 1.064 40 V CB -1.407 30.413 31.823 -0.005 0.000 0.670 40 V HN 0.580 8.770 8.190 -0.000 0.000 0.461 41 G N -0.237 108.550 108.800 -0.022 0.000 2.394 41 G HA2 -0.149 3.810 3.960 -0.002 0.000 0.215 41 G HA3 -0.149 3.810 3.960 -0.002 0.000 0.215 41 G C 1.570 176.475 174.900 0.008 0.000 1.165 41 G CA 0.695 45.787 45.100 -0.013 0.000 0.784 41 G HN 0.455 8.745 8.290 -0.000 0.000 0.535 42 L N 0.976 122.195 121.223 -0.006 0.000 2.046 42 L HA -0.042 4.296 4.340 -0.002 0.000 0.208 42 L C 2.922 179.802 176.870 0.017 0.000 1.077 42 L CA 1.270 56.113 54.840 0.005 0.000 0.747 42 L CB -0.539 41.515 42.059 -0.007 0.000 0.896 42 L HN 0.416 8.646 8.230 -0.000 0.000 0.432 43 I N -0.796 119.782 120.570 0.012 0.000 2.226 43 I HA -0.251 3.917 4.170 -0.002 0.000 0.245 43 I C 2.532 178.663 176.117 0.024 0.000 1.100 43 I CA 1.759 63.068 61.300 0.016 0.000 1.374 43 I CB -0.678 37.329 38.000 0.011 0.000 1.057 43 I HN 0.232 8.442 8.210 -0.000 0.000 0.413 44 I N 0.649 121.237 120.570 0.030 0.000 2.394 44 I HA -0.047 4.121 4.170 -0.002 0.000 0.251 44 I C 2.765 178.908 176.117 0.044 0.000 1.136 44 I CA 1.374 62.697 61.300 0.038 0.000 1.425 44 I CB -0.755 37.276 38.000 0.051 0.000 1.079 44 I HN 0.194 8.404 8.210 -0.000 0.000 0.425 45 A N 1.560 124.412 122.820 0.052 0.000 1.902 45 A HA -0.179 4.140 4.320 -0.002 0.000 0.217 45 A C 2.392 180.005 177.584 0.049 0.000 1.181 45 A CA 1.773 53.846 52.037 0.061 0.000 0.623 45 A CB -0.590 18.453 19.000 0.073 0.000 0.818 45 A HN 0.369 8.519 8.150 -0.000 0.000 0.443 46 R N -0.806 119.719 120.500 0.042 0.000 2.092 46 R HA 0.071 4.409 4.340 -0.002 0.000 0.231 46 R C 2.213 178.528 176.300 0.026 0.000 1.119 46 R CA 1.651 57.772 56.100 0.035 0.000 0.970 46 R CB -0.469 29.849 30.300 0.030 0.000 0.864 46 R HN 0.631 8.901 8.270 -0.000 0.000 0.440 47 M N -0.763 118.851 119.600 0.024 0.000 2.132 47 M HA -0.096 4.383 4.480 -0.002 0.000 0.263 47 M C 1.940 178.250 176.300 0.017 0.000 1.065 47 M CA 1.523 56.834 55.300 0.019 0.000 1.122 47 M CB -0.197 32.414 32.600 0.019 0.000 1.365 47 M HN 0.094 8.384 8.290 -0.000 0.000 0.411 48 I N -0.828 119.755 120.570 0.021 0.000 2.439 48 I HA -0.232 3.936 4.170 -0.002 0.000 0.251 48 I C 2.697 178.819 176.117 0.009 0.000 1.139 48 I CA 0.931 62.240 61.300 0.016 0.000 1.438 48 I CB -0.362 37.651 38.000 0.021 0.000 1.085 48 I HN 0.300 8.510 8.210 -0.000 0.000 0.427 49 S N 0.970 116.676 115.700 0.011 0.000 2.368 49 S HA -0.240 4.229 4.470 -0.002 0.000 0.224 49 S C 1.866 176.466 174.600 0.001 0.000 1.029 49 S CA 1.930 60.130 58.200 0.001 0.000 0.988 49 S CB -0.511 62.691 63.200 0.004 0.000 0.838 49 S HN 0.495 8.805 8.310 -0.000 0.000 0.462 50 N N 0.115 118.819 118.700 0.007 0.000 2.223 50 N HA -0.083 4.655 4.740 -0.002 0.000 0.185 50 N C 1.839 177.352 175.510 0.004 0.000 1.016 50 N CA 0.911 53.965 53.050 0.007 0.000 0.863 50 N CB -0.320 38.173 38.487 0.010 0.000 0.983 50 N HN 0.501 8.881 8.380 -0.000 0.000 0.429 51 A N 0.432 123.254 122.820 0.005 0.000 1.898 51 A HA -0.045 4.274 4.320 -0.002 0.000 0.216 51 A C 2.294 179.878 177.584 0.000 0.000 1.181 51 A CA 0.958 52.997 52.037 0.003 0.000 0.620 51 A CB -0.651 18.351 19.000 0.004 0.000 0.819 51 A HN 0.192 8.342 8.150 -0.000 0.000 0.442 52 V N 0.704 120.617 119.914 -0.002 0.000 2.407 52 V HA -0.260 3.858 4.120 -0.002 0.000 0.248 52 V C 2.250 178.342 176.094 -0.004 0.000 1.055 52 V CA 2.314 64.611 62.300 -0.005 0.000 1.049 52 V CB -1.079 30.738 31.823 -0.010 0.000 0.662 52 V HN 0.590 8.780 8.190 -0.000 0.000 0.455 53 N N -0.144 118.554 118.700 -0.002 0.000 2.216 53 N HA -0.085 4.654 4.740 -0.002 0.000 0.183 53 N C 1.948 177.458 175.510 0.000 0.000 1.017 53 N CA 0.955 54.005 53.050 -0.000 0.000 0.861 53 N CB -0.190 38.298 38.487 0.002 0.000 0.986 53 N HN 0.416 8.796 8.380 -0.000 0.000 0.428 54 R N 0.131 120.631 120.500 0.000 0.000 2.081 54 R HA -0.030 4.308 4.340 -0.002 0.000 0.235 54 R C 1.897 178.197 176.300 -0.001 0.000 1.131 54 R CA 0.979 57.079 56.100 0.000 0.000 0.960 54 R CB -0.438 29.863 30.300 0.001 0.000 0.856 54 R HN 0.255 8.525 8.270 -0.000 0.000 0.436 55 L N -0.064 121.158 121.223 -0.002 0.000 2.156 55 L HA -0.114 4.224 4.340 -0.002 0.000 0.208 55 L C 2.552 179.419 176.870 -0.006 0.000 1.095 55 L CA 0.750 55.587 54.840 -0.004 0.000 0.770 55 L CB -0.335 41.721 42.059 -0.005 0.000 0.914 55 L HN 0.216 8.446 8.230 -0.000 0.000 0.439 56 M N -0.432 119.166 119.600 -0.004 0.000 2.099 56 M HA -0.208 4.271 4.480 -0.002 0.000 0.262 56 M C 2.426 178.723 176.300 -0.005 0.000 1.067 56 M CA 1.834 57.131 55.300 -0.005 0.000 1.124 56 M CB -0.611 31.988 32.600 -0.001 0.000 1.353 56 M HN 0.282 8.572 8.290 -0.000 0.000 0.410 57 I N -0.741 119.827 120.570 -0.003 0.000 2.286 57 I HA -0.256 3.913 4.170 -0.002 0.000 0.245 57 I C 2.649 178.763 176.117 -0.004 0.000 1.104 57 I CA 1.241 62.539 61.300 -0.003 0.000 1.397 57 I CB 0.006 38.006 38.000 -0.001 0.000 1.072 57 I HN 0.238 8.448 8.210 -0.000 0.000 0.417 58 S N 0.426 116.124 115.700 -0.004 0.000 2.356 58 S HA -0.246 4.222 4.470 -0.002 0.000 0.223 58 S C 2.048 176.643 174.600 -0.007 0.000 1.032 58 S CA 1.601 59.798 58.200 -0.005 0.000 1.005 58 S CB -0.220 62.978 63.200 -0.004 0.000 0.867 58 S HN 0.427 8.737 8.310 -0.000 0.000 0.449 59 R N 1.483 121.978 120.500 -0.009 0.000 2.088 59 R HA 0.232 4.570 4.340 -0.002 0.000 0.195 59 R C 0.405 176.697 176.300 -0.014 0.000 1.137 59 R CA 1.436 57.528 56.100 -0.013 0.000 1.057 59 R CB -0.110 30.180 30.300 -0.016 0.000 0.748 59 R HN 0.247 8.517 8.270 -0.000 0.000 0.511 60 K N 0.439 120.829 120.400 -0.016 0.000 2.764 60 K HA 0.263 4.581 4.320 -0.002 0.000 0.239 60 K C -1.321 175.272 176.600 -0.013 0.000 1.048 60 K CA -0.273 56.004 56.287 -0.016 0.000 1.057 60 K CB 0.490 32.976 32.500 -0.022 0.000 1.251 60 K HN 0.346 8.596 8.250 -0.000 0.000 0.524 61 I N 2.008 122.573 120.570 -0.009 0.000 2.581 61 I HA 0.207 4.376 4.170 -0.002 0.000 0.288 61 I C -0.847 175.267 176.117 -0.005 0.000 1.047 61 I CA 0.226 61.523 61.300 -0.006 0.000 1.374 61 I CB 0.754 38.752 38.000 -0.003 0.000 1.423 61 I HN 0.634 8.844 8.210 -0.000 0.000 0.549 62 D N 5.536 125.935 120.400 -0.003 0.000 2.602 62 D HA 0.288 4.926 4.640 -0.002 0.000 0.245 62 D C 0.517 176.819 176.300 0.002 0.000 1.325 62 D CA -0.181 53.816 54.000 -0.004 0.000 0.952 62 D CB 2.150 42.946 40.800 -0.007 0.000 1.317 62 D HN 0.696 9.066 8.370 -0.000 0.000 0.577 63 A N 2.894 125.714 122.820 0.001 0.000 1.929 63 A HA -0.260 4.059 4.320 -0.002 0.000 0.221 63 A C 1.891 179.484 177.584 0.014 0.000 1.211 63 A CA 2.491 54.532 52.037 0.006 0.000 0.657 63 A CB -0.549 18.452 19.000 0.002 0.000 0.827 63 A HN 0.630 8.780 8.150 -0.000 0.000 0.462 64 T N -0.887 113.667 114.554 -0.000 0.000 2.812 64 T HA -0.055 4.294 4.350 -0.002 0.000 0.264 64 T C 1.879 176.602 174.700 0.038 0.000 1.042 64 T CA 1.442 63.536 62.100 -0.009 0.000 1.140 64 T CB -0.373 68.456 68.868 -0.064 0.000 0.870 64 T HN 0.187 8.427 8.240 -0.000 0.000 0.445 65 V N 1.604 121.536 119.914 0.031 0.000 2.379 65 V HA -0.077 4.041 4.120 -0.002 0.000 0.245 65 V C 2.872 179.006 176.094 0.066 0.000 1.044 65 V CA 1.615 63.949 62.300 0.057 0.000 1.036 65 V CB -1.113 30.726 31.823 0.026 0.000 0.664 65 V HN 0.507 8.697 8.190 -0.000 0.000 0.453 66 A N -0.137 122.707 122.820 0.040 0.000 1.897 66 A HA -0.196 4.123 4.320 -0.002 0.000 0.215 66 A C 1.976 179.579 177.584 0.031 0.000 1.181 66 A CA 1.879 53.932 52.037 0.027 0.000 0.620 66 A CB -0.547 18.462 19.000 0.014 0.000 0.821 66 A HN 0.515 8.665 8.150 -0.000 0.000 0.443 67 D N -1.249 119.181 120.400 0.050 0.000 2.123 67 D HA -0.068 4.571 4.640 -0.002 0.000 0.200 67 D C 1.579 177.921 176.300 0.070 0.000 0.976 67 D CA 0.947 54.977 54.000 0.050 0.000 0.831 67 D CB -0.378 40.458 40.800 0.059 0.000 0.974 67 D HN 0.382 8.752 8.370 -0.000 0.000 0.469 68 F N 0.766 120.676 119.950 -0.067 0.000 2.163 68 F HA -0.052 4.474 4.527 -0.002 0.000 0.297 68 F C 2.066 177.807 175.800 -0.098 0.000 1.094 68 F CA 0.543 58.491 58.000 -0.088 0.000 1.290 68 F CB -0.276 38.688 39.000 -0.060 0.000 1.017 68 F HN -0.102 8.198 8.300 -0.000 0.000 0.483 69 L N -0.588 120.655 121.223 0.033 0.000 2.027 69 L HA -0.140 4.199 4.340 -0.002 0.000 0.206 69 L C 2.391 179.198 176.870 -0.106 0.000 1.074 69 L CA 1.940 56.751 54.840 -0.048 0.000 0.745 69 L CB -1.068 40.998 42.059 0.011 0.000 0.898 69 L HN -0.006 8.224 8.230 -0.000 0.000 0.433 70 S N -0.178 115.477 115.700 -0.076 0.000 2.382 70 S HA -0.117 4.352 4.470 -0.002 0.000 0.228 70 S C 2.067 176.581 174.600 -0.142 0.000 1.027 70 S CA 1.033 59.187 58.200 -0.077 0.000 0.991 70 S CB -0.551 62.624 63.200 -0.041 0.000 0.823 70 S HN 0.649 8.959 8.310 -0.000 0.000 0.469 71 A N 1.038 123.714 122.820 -0.239 0.000 1.930 71 A HA 0.040 4.358 4.320 -0.002 0.000 0.217 71 A C 2.080 179.281 177.584 -0.638 0.000 1.175 71 A CA 1.013 52.780 52.037 -0.451 0.000 0.627 71 A CB -0.564 18.117 19.000 -0.531 0.000 0.815 71 A HN 0.405 8.555 8.150 -0.000 0.000 0.443 72 L N -0.249 120.659 121.223 -0.525 0.000 2.093 72 L HA -0.078 4.260 4.340 -0.002 0.000 0.208 72 L C 2.390 179.154 176.870 -0.177 0.000 1.085 72 L CA 1.525 56.119 54.840 -0.410 0.000 0.755 72 L CB -0.288 41.546 42.059 -0.375 0.000 0.904 72 L HN 0.164 8.394 8.230 -0.000 0.000 0.435 73 V N -0.377 119.458 119.914 -0.132 0.000 2.358 73 V HA -0.276 3.842 4.120 -0.002 0.000 0.246 73 V C 2.711 178.811 176.094 0.010 0.000 1.047 73 V CA 2.024 64.297 62.300 -0.046 0.000 1.035 73 V CB -0.701 31.099 31.823 -0.038 0.000 0.658 73 V HN 0.486 8.676 8.190 -0.000 0.000 0.452 74 R N -0.940 119.563 120.500 0.005 0.000 2.081 74 R HA -0.178 4.160 4.340 -0.002 0.000 0.235 74 R C 2.365 178.810 176.300 0.242 0.000 1.131 74 R CA 1.985 58.147 56.100 0.103 0.000 0.960 74 R CB -0.404 29.955 30.300 0.098 0.000 0.856 74 R HN 0.620 8.890 8.270 -0.000 0.000 0.436 75 Y N -0.922 119.359 120.300 -0.031 0.000 2.200 75 Y HA -0.106 4.442 4.550 -0.002 0.000 0.290 75 Y C 2.489 178.389 175.900 0.001 0.000 1.137 75 Y CA 0.252 58.337 58.100 -0.025 0.000 1.163 75 Y CB -0.237 38.190 38.460 -0.055 0.000 0.988 75 Y HN 0.346 8.626 8.280 -0.000 0.000 0.518 76 G N 0.530 109.431 108.800 0.168 0.000 2.418 76 G HA2 -0.238 3.721 3.960 -0.002 0.000 0.217 76 G HA3 -0.238 3.721 3.960 -0.002 0.000 0.217 76 G C 1.526 176.519 174.900 0.156 0.000 1.158 76 G CA 1.082 46.252 45.100 0.116 0.000 0.771 76 G HN 0.358 8.648 8.290 -0.000 0.000 0.545 77 I N 1.409 122.073 120.570 0.157 0.000 2.252 77 I HA -0.119 4.050 4.170 -0.002 0.000 0.245 77 I C 2.773 179.019 176.117 0.215 0.000 1.102 77 I CA 1.179 62.616 61.300 0.229 0.000 1.385 77 I CB -0.311 37.787 38.000 0.164 0.000 1.064 77 I HN 0.348 8.558 8.210 -0.000 0.000 0.414 78 I N -0.171 120.470 120.570 0.117 0.000 2.252 78 I HA -0.148 4.021 4.170 -0.002 0.000 0.245 78 I C 2.723 178.839 176.117 -0.001 0.000 1.102 78 I CA 1.608 62.926 61.300 0.031 0.000 1.385 78 I CB -0.652 37.343 38.000 -0.007 0.000 1.064 78 I HN 0.032 8.242 8.210 -0.000 0.000 0.414 79 A N 1.566 124.408 122.820 0.036 0.000 1.902 79 A HA -0.223 4.096 4.320 -0.002 0.000 0.217 79 A C 2.262 179.879 177.584 0.055 0.000 1.181 79 A CA 1.890 53.942 52.037 0.025 0.000 0.623 79 A CB -1.267 17.760 19.000 0.045 0.000 0.818 79 A HN 0.696 8.846 8.150 -0.000 0.000 0.443 80 F N 1.658 121.605 119.950 -0.006 0.000 2.171 80 F HA -0.134 4.392 4.527 -0.002 0.000 0.300 80 F C 2.136 177.931 175.800 -0.009 0.000 1.090 80 F CA 2.258 60.255 58.000 -0.005 0.000 1.293 80 F CB -1.041 37.958 39.000 -0.001 0.000 1.013 80 F HN 0.166 8.466 8.300 -0.000 0.000 0.486 81 T N 1.987 116.234 114.554 -0.512 0.000 2.777 81 T HA -0.103 4.246 4.350 -0.002 0.000 0.266 81 T C 2.201 176.700 174.700 -0.335 0.000 1.040 81 T CA 1.703 63.449 62.100 -0.591 0.000 1.141 81 T CB -0.522 68.162 68.868 -0.306 0.000 0.868 81 T HN 0.289 8.529 8.240 -0.000 0.000 0.444 82 L N 0.354 121.462 121.223 -0.191 0.000 2.083 82 L HA -0.043 4.295 4.340 -0.002 0.000 0.209 82 L C 2.473 179.271 176.870 -0.120 0.000 1.083 82 L CA 1.206 55.968 54.840 -0.128 0.000 0.752 82 L CB -0.661 41.347 42.059 -0.085 0.000 0.899 82 L HN 0.272 8.502 8.230 -0.000 0.000 0.433 83 I N 0.114 120.617 120.570 -0.112 0.000 2.226 83 I HA -0.294 3.875 4.170 -0.002 0.000 0.245 83 I C 2.805 178.865 176.117 -0.095 0.000 1.100 83 I CA 1.282 62.542 61.300 -0.067 0.000 1.374 83 I CB -0.438 37.563 38.000 0.002 0.000 1.057 83 I HN 0.205 8.415 8.210 -0.000 0.000 0.413 84 A N 0.589 123.291 122.820 -0.197 0.000 1.969 84 A HA -0.104 4.214 4.320 -0.002 0.000 0.218 84 A C 2.522 180.023 177.584 -0.139 0.000 1.169 84 A CA 1.683 53.608 52.037 -0.186 0.000 0.635 84 A CB -0.691 18.088 19.000 -0.368 0.000 0.810 84 A HN 0.436 8.585 8.150 -0.000 0.000 0.445 85 A N -0.095 122.636 122.820 -0.149 0.000 1.873 85 A HA -0.005 4.313 4.320 -0.002 0.000 0.215 85 A C 2.126 179.663 177.584 -0.079 0.000 1.186 85 A CA 1.422 53.395 52.037 -0.107 0.000 0.616 85 A CB -0.566 18.371 19.000 -0.105 0.000 0.823 85 A HN 0.461 8.611 8.150 -0.000 0.000 0.442 86 L N -0.737 120.443 121.223 -0.071 0.000 2.141 86 L HA -0.083 4.256 4.340 -0.002 0.000 0.209 86 L C 2.796 179.636 176.870 -0.050 0.000 1.094 86 L CA 0.922 55.730 54.840 -0.055 0.000 0.763 86 L CB -0.907 41.125 42.059 -0.045 0.000 0.908 86 L HN 0.500 8.730 8.230 -0.000 0.000 0.437 87 G N -0.188 108.582 108.800 -0.049 0.000 2.418 87 G HA2 -0.275 3.684 3.960 -0.002 0.000 0.217 87 G HA3 -0.275 3.684 3.960 -0.002 0.000 0.217 87 G C 1.806 176.680 174.900 -0.043 0.000 1.158 87 G CA 0.492 45.569 45.100 -0.038 0.000 0.771 87 G HN 0.227 8.517 8.290 -0.000 0.000 0.545 88 R N -0.271 120.198 120.500 -0.052 0.000 2.073 88 R HA 0.016 4.354 4.340 -0.002 0.000 0.229 88 R C 2.389 178.648 176.300 -0.069 0.000 1.120 88 R CA 0.899 56.966 56.100 -0.055 0.000 0.967 88 R CB -0.241 30.025 30.300 -0.056 0.000 0.862 88 R HN 0.271 8.541 8.270 -0.000 0.000 0.436 89 V N 0.276 120.149 119.914 -0.069 0.000 3.444 89 V HA 0.017 4.136 4.120 -0.002 0.000 0.271 89 V C 1.223 177.269 176.094 -0.081 0.000 1.188 89 V CA 1.247 63.499 62.300 -0.079 0.000 1.168 89 V CB -0.178 31.607 31.823 -0.064 0.000 0.810 89 V HN 0.740 8.930 8.190 -0.000 0.000 0.500 90 G N -0.094 108.665 108.800 -0.069 0.000 2.141 90 G HA2 -0.214 3.745 3.960 -0.002 0.000 0.242 90 G HA3 -0.214 3.745 3.960 -0.002 0.000 0.242 90 G C 0.100 174.973 174.900 -0.044 0.000 0.982 90 G CA 0.041 45.104 45.100 -0.061 0.000 0.662 90 G HN 0.458 8.748 8.290 -0.000 0.000 0.527 91 V N 0.956 120.847 119.914 -0.038 0.000 2.383 91 V HA 0.512 4.631 4.120 -0.002 0.000 0.275 91 V C 0.722 176.802 176.094 -0.023 0.000 1.036 91 V CA -0.636 61.647 62.300 -0.028 0.000 0.889 91 V CB 1.676 33.483 31.823 -0.028 0.000 0.985 91 V HN 0.394 8.584 8.190 -0.000 0.000 0.459 92 Q N 3.479 123.268 119.800 -0.017 0.000 2.263 92 Q HA 0.076 4.414 4.340 -0.002 0.000 0.270 92 Q C 1.193 177.188 176.000 -0.009 0.000 1.104 92 Q CA 0.573 56.369 55.803 -0.012 0.000 0.909 92 Q CB 0.894 29.626 28.738 -0.009 0.000 1.214 92 Q HN 0.956 9.226 8.270 -0.000 0.000 0.400 93 T N 0.549 115.099 114.554 -0.007 0.000 3.148 93 T HA 0.150 4.498 4.350 -0.002 0.000 0.253 93 T C 1.618 176.321 174.700 0.004 0.000 1.134 93 T CA 0.307 62.405 62.100 -0.002 0.000 1.051 93 T CB -0.042 68.826 68.868 -0.000 0.000 0.959 93 T HN 0.542 8.782 8.240 -0.000 0.000 0.525 94 A N 2.259 125.081 122.820 0.003 0.000 1.954 94 A HA -0.233 4.086 4.320 -0.002 0.000 0.222 94 A C 2.673 180.260 177.584 0.006 0.000 1.199 94 A CA 2.496 54.536 52.037 0.005 0.000 0.657 94 A CB -1.497 17.505 19.000 0.003 0.000 0.823 94 A HN 0.622 8.772 8.150 -0.000 0.000 0.463 95 S N -1.363 114.340 115.700 0.004 0.000 2.356 95 S HA -0.113 4.356 4.470 -0.002 0.000 0.223 95 S C 1.908 176.512 174.600 0.007 0.000 1.032 95 S CA 1.606 59.808 58.200 0.004 0.000 1.005 95 S CB -0.571 62.630 63.200 0.002 0.000 0.867 95 S HN 0.448 8.758 8.310 -0.000 0.000 0.449 96 V N 1.804 121.722 119.914 0.007 0.000 2.515 96 V HA -0.075 4.044 4.120 -0.002 0.000 0.250 96 V C 2.286 178.391 176.094 0.019 0.000 1.058 96 V CA 1.411 63.718 62.300 0.011 0.000 1.064 96 V CB -0.507 31.321 31.823 0.008 0.000 0.675 96 V HN 0.510 8.700 8.190 -0.000 0.000 0.461 97 I N 0.366 120.948 120.570 0.021 0.000 2.179 97 I HA -0.166 4.003 4.170 -0.002 0.000 0.242 97 I C 2.678 178.806 176.117 0.019 0.000 1.088 97 I CA 1.941 63.256 61.300 0.026 0.000 1.357 97 I CB -1.644 36.371 38.000 0.025 0.000 1.051 97 I HN 0.349 8.559 8.210 -0.000 0.000 0.409 98 A N 0.219 123.047 122.820 0.013 0.000 1.873 98 A HA -0.133 4.186 4.320 -0.002 0.000 0.215 98 A C 2.554 180.145 177.584 0.011 0.000 1.186 98 A CA 1.633 53.676 52.037 0.010 0.000 0.616 98 A CB -0.973 18.031 19.000 0.007 0.000 0.823 98 A HN 0.226 8.376 8.150 -0.000 0.000 0.442 99 V N -0.483 119.438 119.914 0.012 0.000 2.343 99 V HA -0.231 3.888 4.120 -0.002 0.000 0.247 99 V C 2.513 178.617 176.094 0.016 0.000 1.051 99 V CA 2.010 64.317 62.300 0.012 0.000 1.036 99 V CB -0.641 31.189 31.823 0.012 0.000 0.654 99 V HN 0.554 8.744 8.190 -0.000 0.000 0.451 100 L N 0.716 121.950 121.223 0.019 0.000 2.083 100 L HA -0.078 4.260 4.340 -0.002 0.000 0.209 100 L C 2.361 179.241 176.870 0.018 0.000 1.083 100 L CA 2.267 57.121 54.840 0.023 0.000 0.752 100 L CB -1.065 41.014 42.059 0.034 0.000 0.899 100 L HN 0.331 8.561 8.230 -0.000 0.000 0.433 101 G N -1.556 107.253 108.800 0.014 0.000 2.402 101 G HA2 -0.237 3.721 3.960 -0.002 0.000 0.216 101 G HA3 -0.237 3.721 3.960 -0.002 0.000 0.216 101 G C 1.635 176.539 174.900 0.007 0.000 1.162 101 G CA 0.700 45.805 45.100 0.008 0.000 0.777 101 G HN 0.558 8.848 8.290 -0.000 0.000 0.539 102 A N 1.273 124.098 122.820 0.008 0.000 1.902 102 A HA 0.228 4.547 4.320 -0.002 0.000 0.217 102 A C 2.831 180.421 177.584 0.010 0.000 1.181 102 A CA 2.363 54.404 52.037 0.008 0.000 0.623 102 A CB -0.868 18.137 19.000 0.008 0.000 0.818 102 A HN 0.810 8.960 8.150 -0.000 0.000 0.443 103 A N -0.491 122.337 122.820 0.013 0.000 1.908 103 A HA 0.093 4.412 4.320 -0.002 0.000 0.218 103 A C 2.430 180.022 177.584 0.013 0.000 1.181 103 A CA 2.017 54.064 52.037 0.016 0.000 0.627 103 A CB -1.435 17.577 19.000 0.020 0.000 0.818 103 A HN 0.760 8.910 8.150 -0.000 0.000 0.445 104 G N -0.181 108.625 108.800 0.010 0.000 2.418 104 G HA2 -0.173 3.785 3.960 -0.002 0.000 0.217 104 G HA3 -0.173 3.785 3.960 -0.002 0.000 0.217 104 G C 1.474 176.377 174.900 0.004 0.000 1.158 104 G CA 1.225 46.329 45.100 0.006 0.000 0.771 104 G HN 0.525 8.815 8.290 -0.000 0.000 0.545 105 L N 1.434 122.659 121.223 0.003 0.000 2.083 105 L HA 0.124 4.463 4.340 -0.002 0.000 0.209 105 L C 2.989 179.862 176.870 0.004 0.000 1.083 105 L CA 2.076 56.916 54.840 0.001 0.000 0.752 105 L CB -0.730 41.330 42.059 0.001 0.000 0.899 105 L HN 0.238 8.468 8.230 -0.000 0.000 0.433 106 A N -1.181 121.644 122.820 0.008 0.000 1.902 106 A HA -0.128 4.191 4.320 -0.002 0.000 0.217 106 A C 2.225 179.817 177.584 0.014 0.000 1.181 106 A CA 1.927 53.971 52.037 0.011 0.000 0.623 106 A CB -1.051 17.958 19.000 0.015 0.000 0.818 106 A HN 0.295 8.445 8.150 -0.000 0.000 0.443 107 V N -0.041 119.882 119.914 0.016 0.000 2.515 107 V HA -0.145 3.973 4.120 -0.002 0.000 0.250 107 V C 2.747 178.849 176.094 0.014 0.000 1.058 107 V CA 1.764 64.076 62.300 0.019 0.000 1.064 107 V CB -1.390 30.444 31.823 0.019 0.000 0.675 107 V HN 0.610 8.800 8.190 -0.000 0.000 0.461 108 G N -0.193 108.611 108.800 0.008 0.000 2.402 108 G HA2 -0.172 3.786 3.960 -0.002 0.000 0.216 108 G HA3 -0.172 3.786 3.960 -0.002 0.000 0.216 108 G C 1.586 176.486 174.900 -0.001 0.000 1.162 108 G CA 0.715 45.816 45.100 0.002 0.000 0.777 108 G HN 0.449 8.739 8.290 -0.000 0.000 0.539 109 L N 0.640 121.863 121.223 0.000 0.000 2.046 109 L HA -0.084 4.254 4.340 -0.002 0.000 0.208 109 L C 3.425 180.295 176.870 -0.001 0.000 1.077 109 L CA 1.057 55.896 54.840 -0.003 0.000 0.747 109 L CB -0.414 41.645 42.059 -0.001 0.000 0.896 109 L HN 0.319 8.549 8.230 -0.000 0.000 0.432 110 A N -0.236 122.588 122.820 0.007 0.000 1.902 110 A HA -0.209 4.109 4.320 -0.002 0.000 0.217 110 A C 2.145 179.736 177.584 0.011 0.000 1.181 110 A CA 1.457 53.501 52.037 0.012 0.000 0.623 110 A CB -0.657 18.356 19.000 0.022 0.000 0.818 110 A HN 0.274 8.424 8.150 -0.000 0.000 0.443 111 L N 0.018 121.249 121.223 0.013 0.000 2.191 111 L HA -0.201 4.137 4.340 -0.002 0.000 0.212 111 L C 2.598 179.461 176.870 -0.011 0.000 1.103 111 L CA 2.095 56.943 54.840 0.013 0.000 0.769 111 L CB -0.691 41.380 42.059 0.019 0.000 0.908 111 L HN 0.631 8.861 8.230 -0.000 0.000 0.438 112 Q N -0.728 119.061 119.800 -0.019 0.000 2.181 112 Q HA -0.205 4.133 4.340 -0.002 0.000 0.205 112 Q C 2.012 177.978 176.000 -0.058 0.000 0.980 112 Q CA 1.719 57.499 55.803 -0.038 0.000 0.862 112 Q CB -0.269 28.451 28.738 -0.030 0.000 0.905 112 Q HN 0.566 8.836 8.270 -0.000 0.000 0.429 113 G N -0.061 108.712 108.800 -0.046 0.000 2.421 113 G HA2 -0.234 3.724 3.960 -0.002 0.000 0.216 113 G HA3 -0.234 3.724 3.960 -0.002 0.000 0.216 113 G C 1.485 176.320 174.900 -0.108 0.000 1.171 113 G CA 0.960 46.025 45.100 -0.059 0.000 0.775 113 G HN 0.414 8.704 8.290 -0.000 0.000 0.543 114 S N 0.442 116.083 115.700 -0.098 0.000 2.383 114 S HA -0.022 4.446 4.470 -0.002 0.000 0.227 114 S C 2.190 176.558 174.600 -0.388 0.000 1.026 114 S CA 0.610 58.696 58.200 -0.190 0.000 0.981 114 S CB -0.193 63.017 63.200 0.017 0.000 0.818 114 S HN 0.145 8.455 8.310 -0.000 0.000 0.472 115 L N 1.598 122.698 121.223 -0.204 0.000 2.046 115 L HA -0.008 4.330 4.340 -0.002 0.000 0.208 115 L C 2.640 179.373 176.870 -0.230 0.000 1.077 115 L CA 1.385 56.112 54.840 -0.187 0.000 0.747 115 L CB -1.094 40.914 42.059 -0.086 0.000 0.896 115 L HN 0.271 8.501 8.230 -0.000 0.000 0.432 116 S N -0.715 114.872 115.700 -0.189 0.000 2.370 116 S HA -0.194 4.274 4.470 -0.002 0.000 0.226 116 S C 1.959 176.431 174.600 -0.214 0.000 1.033 116 S CA 1.404 59.508 58.200 -0.161 0.000 1.011 116 S CB -0.233 62.899 63.200 -0.114 0.000 0.852 116 S HN 0.497 8.807 8.310 -0.000 0.000 0.457 117 N N 1.389 119.902 118.700 -0.311 0.000 2.120 117 N HA -0.086 4.652 4.740 -0.002 0.000 0.188 117 N C 1.847 177.103 175.510 -0.424 0.000 1.024 117 N CA 1.319 54.161 53.050 -0.347 0.000 0.852 117 N CB -0.666 37.571 38.487 -0.418 0.000 1.003 117 N HN 0.468 8.848 8.380 -0.000 0.000 0.424 118 L N 0.857 121.649 121.223 -0.719 0.000 2.042 118 L HA -0.154 4.185 4.340 -0.002 0.000 0.210 118 L C 2.214 179.001 176.870 -0.138 0.000 1.076 118 L CA 1.597 56.180 54.840 -0.428 0.000 0.749 118 L CB -0.349 41.507 42.059 -0.338 0.000 0.893 118 L HN 0.082 8.312 8.230 -0.000 0.000 0.432 119 A N -0.082 122.648 122.820 -0.150 0.000 1.902 119 A HA -0.181 4.138 4.320 -0.002 0.000 0.217 119 A C 2.460 179.995 177.584 -0.081 0.000 1.181 119 A CA 1.764 53.746 52.037 -0.092 0.000 0.623 119 A CB -1.075 17.867 19.000 -0.096 0.000 0.818 119 A HN 0.611 8.761 8.150 -0.000 0.000 0.443 120 A N -0.490 122.274 122.820 -0.093 0.000 1.933 120 A HA 0.097 4.415 4.320 -0.002 0.000 0.218 120 A C 2.409 179.971 177.584 -0.036 0.000 1.175 120 A CA 1.982 53.979 52.037 -0.066 0.000 0.628 120 A CB -1.397 17.570 19.000 -0.057 0.000 0.814 120 A HN 0.750 8.900 8.150 -0.000 0.000 0.444 121 G N -0.512 108.275 108.800 -0.020 0.000 2.418 121 G HA2 -0.136 3.822 3.960 -0.002 0.000 0.217 121 G HA3 -0.136 3.822 3.960 -0.002 0.000 0.217 121 G C 1.518 176.426 174.900 0.013 0.000 1.158 121 G CA 1.280 46.394 45.100 0.024 0.000 0.771 121 G HN 0.325 8.615 8.290 -0.000 0.000 0.545 122 V N 0.742 120.660 119.914 0.008 0.000 2.295 122 V HA -0.123 3.995 4.120 -0.002 0.000 0.246 122 V C 2.861 178.958 176.094 0.004 0.000 1.049 122 V CA 1.447 63.754 62.300 0.011 0.000 1.024 122 V CB -0.459 31.367 31.823 0.005 0.000 0.648 122 V HN 0.334 8.524 8.190 -0.000 0.000 0.447 123 L N -1.083 120.116 121.223 -0.040 0.000 2.042 123 L HA -0.207 4.131 4.340 -0.002 0.000 0.210 123 L C 2.445 179.317 176.870 0.003 0.000 1.076 123 L CA 1.317 56.105 54.840 -0.086 0.000 0.749 123 L CB -0.376 41.578 42.059 -0.175 0.000 0.893 123 L HN 0.315 8.545 8.230 -0.000 0.000 0.432 124 L N -0.838 120.372 121.223 -0.020 0.000 2.046 124 L HA -0.198 4.140 4.340 -0.002 0.000 0.208 124 L C 2.330 179.165 176.870 -0.057 0.000 1.077 124 L CA 1.646 56.455 54.840 -0.051 0.000 0.747 124 L CB -0.492 41.522 42.059 -0.075 0.000 0.896 124 L HN -0.008 8.222 8.230 -0.000 0.000 0.432 125 V N -0.213 119.688 119.914 -0.023 0.000 2.323 125 V HA -0.308 3.811 4.120 -0.002 0.000 0.244 125 V C 2.485 178.587 176.094 0.013 0.000 1.041 125 V CA 1.976 64.262 62.300 -0.023 0.000 1.025 125 V CB -0.738 31.083 31.823 -0.003 0.000 0.656 125 V HN 0.582 8.772 8.190 -0.000 0.000 0.451 126 M N -1.499 118.147 119.600 0.077 0.000 2.123 126 M HA -0.057 4.421 4.480 -0.002 0.000 0.263 126 M C 2.198 178.545 176.300 0.078 0.000 1.069 126 M CA 2.165 57.520 55.300 0.092 0.000 1.133 126 M CB -0.854 31.841 32.600 0.158 0.000 1.356 126 M HN 0.187 8.477 8.290 -0.000 0.000 0.415 127 F N 2.196 122.114 119.950 -0.053 0.000 2.325 127 F HA 0.074 4.599 4.527 -0.002 0.000 0.299 127 F C 1.520 177.278 175.800 -0.070 0.000 1.090 127 F CA 0.533 58.501 58.000 -0.053 0.000 1.392 127 F CB -0.312 38.662 39.000 -0.044 0.000 1.053 127 F HN 0.215 8.515 8.300 -0.000 0.000 0.521 128 R N 2.008 122.528 120.500 0.033 0.000 2.697 128 R HA -0.030 4.309 4.340 -0.002 0.000 0.265 128 R C -1.860 174.396 176.300 -0.073 0.000 1.009 128 R CA -0.371 55.681 56.100 -0.080 0.000 1.099 128 R CB -0.759 29.395 30.300 -0.245 0.000 0.965 128 R HN 0.083 8.353 8.270 -0.000 0.000 0.428 129 P HA 0.004 4.424 4.420 -0.000 0.000 0.213 129 P C 0.090 177.448 177.300 0.098 0.000 1.156 129 P CA 0.557 63.684 63.100 0.045 0.000 0.884 129 P CB 0.094 31.869 31.700 0.126 0.000 0.774 130 F N 1.654 121.626 119.950 0.036 0.000 2.421 130 F HA 0.707 5.233 4.527 -0.002 0.000 0.337 130 F C 0.201 176.024 175.800 0.037 0.000 1.105 130 F CA -1.321 56.701 58.000 0.038 0.000 1.049 130 F CB 1.113 40.134 39.000 0.034 0.000 1.139 130 F HN -0.112 8.188 8.300 -0.000 0.000 0.479 131 R N 3.027 123.634 120.500 0.179 0.000 2.836 131 R HA 0.816 5.154 4.340 -0.002 0.000 0.269 131 R C -0.911 175.490 176.300 0.169 0.000 1.010 131 R CA -0.732 55.419 56.100 0.086 0.000 0.930 131 R CB 1.136 31.447 30.300 0.018 0.000 1.218 131 R HN 1.063 9.333 8.270 -0.000 0.000 0.473 132 A N 0.161 123.056 122.820 0.126 0.000 2.632 132 A HA 0.278 4.597 4.320 -0.002 0.000 0.229 132 A C 1.481 179.130 177.584 0.108 0.000 1.047 132 A CA 1.635 53.743 52.037 0.117 0.000 0.754 132 A CB -0.977 18.069 19.000 0.077 0.000 0.969 132 A HN 1.643 9.793 8.150 -0.000 0.000 0.509 133 G N 0.954 109.816 108.800 0.104 0.000 2.304 133 G HA2 -0.254 3.705 3.960 -0.002 0.000 0.252 133 G HA3 -0.254 3.705 3.960 -0.002 0.000 0.252 133 G C 0.179 175.151 174.900 0.120 0.000 1.014 133 G CA 0.747 45.905 45.100 0.096 0.000 0.619 133 G HN 0.984 9.274 8.290 -0.000 0.000 0.525 134 E N -0.360 119.928 120.200 0.147 0.000 2.343 134 E HA 0.492 4.840 4.350 -0.002 0.000 0.269 134 E C -0.671 176.044 176.600 0.191 0.000 1.047 134 E CA -0.791 55.714 56.400 0.175 0.000 0.874 134 E CB 0.955 30.772 29.700 0.194 0.000 1.033 134 E HN 0.298 8.658 8.360 -0.000 0.000 0.409 135 Y N 2.969 123.313 120.300 0.074 0.000 2.326 135 Y HA 0.364 4.913 4.550 -0.002 0.000 0.337 135 Y C -0.575 175.398 175.900 0.121 0.000 1.023 135 Y CA -0.504 57.608 58.100 0.021 0.000 1.143 135 Y CB 0.490 38.910 38.460 -0.065 0.000 1.183 135 Y HN 0.255 8.535 8.280 -0.000 0.000 0.485 136 V N 2.282 121.962 119.914 -0.390 0.000 3.181 136 V HA 0.535 4.654 4.120 -0.002 0.000 0.308 136 V C -1.455 174.457 176.094 -0.304 0.000 1.214 136 V CA -1.052 61.152 62.300 -0.159 0.000 1.053 136 V CB 2.149 33.854 31.823 -0.197 0.000 1.069 136 V HN 0.686 8.876 8.190 -0.000 0.000 0.441 137 D N 1.718 122.106 120.400 -0.020 0.000 2.453 137 D HA 0.414 5.052 4.640 -0.002 0.000 0.238 137 D C -1.238 175.002 176.300 -0.100 0.000 1.088 137 D CA -0.261 53.715 54.000 -0.039 0.000 0.854 137 D CB 1.737 42.638 40.800 0.168 0.000 1.076 137 D HN 0.441 8.811 8.370 -0.000 0.000 0.533 138 L N 3.545 124.674 121.223 -0.157 0.000 2.657 138 L HA 0.396 4.735 4.340 -0.002 0.000 0.239 138 L C 1.026 177.845 176.870 -0.084 0.000 1.215 138 L CA -0.324 54.429 54.840 -0.145 0.000 1.161 138 L CB 0.435 42.365 42.059 -0.214 0.000 1.436 138 L HN 0.708 8.938 8.230 -0.000 0.000 0.414 139 G N 0.684 109.450 108.800 -0.057 0.000 2.502 139 G HA2 0.212 4.170 3.960 -0.002 0.000 0.273 139 G HA3 0.212 4.170 3.960 -0.002 0.000 0.273 139 G C 0.740 175.616 174.900 -0.040 0.000 1.021 139 G CA 0.323 45.400 45.100 -0.039 0.000 1.333 139 G HN 1.142 9.432 8.290 -0.000 0.000 0.508 140 G N 0.112 108.892 108.800 -0.033 0.000 2.514 140 G HA2 0.142 4.101 3.960 -0.002 0.000 0.265 140 G HA3 0.142 4.101 3.960 -0.002 0.000 0.265 140 G C 1.349 176.217 174.900 -0.054 0.000 1.150 140 G CA 2.151 47.232 45.100 -0.032 0.000 0.959 140 G HN 2.649 10.939 8.290 -0.000 0.000 0.556 141 V N -2.436 117.443 119.914 -0.059 0.000 3.319 141 V HA 0.239 4.358 4.120 -0.002 0.000 0.278 141 V C 0.557 176.570 176.094 -0.135 0.000 1.349 141 V CA 1.325 63.576 62.300 -0.083 0.000 1.385 141 V CB -1.633 30.143 31.823 -0.077 0.000 0.773 141 V HN 2.536 10.726 8.190 -0.000 0.000 0.376 142 A N 3.985 126.703 122.820 -0.170 0.000 2.359 142 A HA 1.035 5.354 4.320 -0.002 0.000 0.303 142 A C 0.360 177.683 177.584 -0.435 0.000 1.066 142 A CA 0.064 51.902 52.037 -0.332 0.000 0.730 142 A CB 1.851 20.661 19.000 -0.317 0.000 1.211 142 A HN 2.208 10.358 8.150 -0.000 0.000 0.439 143 G N -0.112 108.330 108.800 -0.597 0.000 2.846 143 G HA2 0.621 4.580 3.960 -0.002 0.000 0.299 143 G HA3 0.621 4.580 3.960 -0.002 0.000 0.299 143 G C -0.889 173.792 174.900 -0.366 0.000 1.242 143 G CA -0.253 44.619 45.100 -0.381 0.000 0.800 143 G HN 0.748 9.038 8.290 -0.000 0.000 0.538 144 T N 0.886 115.449 114.554 0.015 0.000 2.767 144 T HA 0.488 4.836 4.350 -0.002 0.000 0.284 144 T C 0.082 174.797 174.700 0.025 0.000 0.973 144 T CA -0.248 61.914 62.100 0.104 0.000 0.996 144 T CB 1.685 70.651 68.868 0.164 0.000 0.927 144 T HN 0.396 8.636 8.240 -0.000 0.000 0.456 145 V N 5.086 125.021 119.914 0.034 0.000 2.479 145 V HA 0.050 4.169 4.120 -0.002 0.000 0.281 145 V C 0.899 177.042 176.094 0.081 0.000 1.031 145 V CA -0.021 62.314 62.300 0.058 0.000 1.038 145 V CB 0.400 32.314 31.823 0.151 0.000 0.981 145 V HN 0.745 8.935 8.190 -0.000 0.000 0.478 146 L N 4.167 125.429 121.223 0.066 0.000 2.298 146 L HA 0.199 4.538 4.340 -0.002 0.000 0.209 146 L C 0.881 177.792 176.870 0.070 0.000 1.084 146 L CA 1.073 55.949 54.840 0.060 0.000 0.816 146 L CB 0.082 42.166 42.059 0.043 0.000 0.967 146 L HN 0.938 9.168 8.230 -0.000 0.000 0.460 147 S N -2.465 113.288 115.700 0.089 0.000 2.602 147 S HA 0.341 4.809 4.470 -0.002 0.000 0.301 147 S C -1.014 173.655 174.600 0.116 0.000 1.091 147 S CA -0.968 57.285 58.200 0.089 0.000 0.895 147 S CB 0.621 63.856 63.200 0.058 0.000 1.090 147 S HN -0.267 8.043 8.310 -0.000 0.000 0.449 148 V N 4.116 124.096 119.914 0.111 0.000 2.322 148 V HA 0.300 4.418 4.120 -0.002 0.000 0.258 148 V C 0.530 176.667 176.094 0.070 0.000 1.074 148 V CA -0.003 62.363 62.300 0.110 0.000 0.909 148 V CB 0.148 31.982 31.823 0.019 0.000 1.090 148 V HN 0.889 9.079 8.190 -0.000 0.000 0.486 149 Q N 2.649 122.501 119.800 0.086 0.000 2.204 149 Q HA 0.401 4.739 4.340 -0.002 0.000 0.175 149 Q C 1.147 177.208 176.000 0.102 0.000 1.020 149 Q CA -0.802 55.044 55.803 0.072 0.000 1.078 149 Q CB 0.802 29.575 28.738 0.058 0.000 1.228 149 Q HN 0.498 8.768 8.270 -0.000 0.000 0.550 150 I N -0.782 119.852 120.570 0.106 0.000 2.099 150 I HA -0.276 3.892 4.170 -0.002 0.000 0.239 150 I C 1.854 178.243 176.117 0.453 0.000 1.066 150 I CA 1.954 63.376 61.300 0.203 0.000 1.324 150 I CB -0.332 37.714 38.000 0.076 0.000 1.037 150 I HN 0.496 8.706 8.210 -0.000 0.000 0.401 151 F N -0.416 119.544 119.950 0.016 0.000 2.622 151 F HA 0.223 4.748 4.527 -0.002 0.000 0.288 151 F C 1.066 176.881 175.800 0.026 0.000 1.120 151 F CA -0.160 57.850 58.000 0.017 0.000 1.423 151 F CB 0.301 39.308 39.000 0.012 0.000 1.127 151 F HN 0.075 8.375 8.300 -0.000 0.000 0.588 152 S N -0.763 115.075 115.700 0.229 0.000 2.569 152 S HA 0.507 4.975 4.470 -0.002 0.000 0.280 152 S C -0.686 173.992 174.600 0.130 0.000 1.111 152 S CA -0.693 57.596 58.200 0.149 0.000 0.887 152 S CB 2.054 65.327 63.200 0.122 0.000 1.095 152 S HN -0.136 8.174 8.310 -0.000 0.000 0.476 153 T N 2.470 117.102 114.554 0.130 0.000 2.829 153 T HA 0.631 4.980 4.350 -0.002 0.000 0.282 153 T C -0.551 174.200 174.700 0.086 0.000 0.990 153 T CA -0.300 61.892 62.100 0.153 0.000 1.028 153 T CB 1.280 70.294 68.868 0.243 0.000 0.951 153 T HN 0.713 8.953 8.240 -0.000 0.000 0.460 154 T N 4.845 119.446 114.554 0.078 0.000 2.797 154 T HA 0.661 5.010 4.350 -0.002 0.000 0.279 154 T C -0.043 174.673 174.700 0.027 0.000 0.991 154 T CA -0.778 61.346 62.100 0.041 0.000 0.979 154 T CB 0.706 69.598 68.868 0.039 0.000 0.943 154 T HN 0.654 8.894 8.240 -0.000 0.000 0.444 155 M N 1.349 120.946 119.600 -0.005 0.000 2.658 155 M HA 0.711 5.190 4.480 -0.002 0.000 0.295 155 M C -0.756 175.536 176.300 -0.014 0.000 1.248 155 M CA -1.213 54.074 55.300 -0.022 0.000 0.843 155 M CB 2.534 35.084 32.600 -0.083 0.000 1.749 155 M HN 0.335 8.625 8.290 -0.000 0.000 0.464 156 R N 1.340 121.839 120.500 -0.002 0.000 2.310 156 R HA 0.345 4.684 4.340 -0.002 0.000 0.316 156 R C -0.608 175.705 176.300 0.022 0.000 1.004 156 R CA -0.195 55.912 56.100 0.012 0.000 0.900 156 R CB 1.378 31.694 30.300 0.025 0.000 1.152 156 R HN 0.958 9.228 8.270 -0.000 0.000 0.513 157 T N 2.275 116.833 114.554 0.006 0.000 2.906 157 T HA 0.042 4.391 4.350 -0.002 0.000 0.320 157 T C 1.627 176.357 174.700 0.051 0.000 1.088 157 T CA 0.498 62.608 62.100 0.017 0.000 1.120 157 T CB 0.988 69.853 68.868 -0.005 0.000 1.000 157 T HN 0.704 8.944 8.240 -0.000 0.000 0.550 158 A N 3.047 125.918 122.820 0.085 0.000 1.997 158 A HA -0.143 4.175 4.320 -0.002 0.000 0.221 158 A C 1.765 179.364 177.584 0.024 0.000 1.172 158 A CA 2.307 54.378 52.037 0.056 0.000 0.645 158 A CB -0.878 18.146 19.000 0.040 0.000 0.813 158 A HN 1.012 9.162 8.150 -0.000 0.000 0.454 159 D N -3.114 117.298 120.400 0.019 0.000 2.340 159 D HA 0.336 4.974 4.640 -0.002 0.000 0.220 159 D C 1.113 177.420 176.300 0.012 0.000 1.039 159 D CA 0.946 54.954 54.000 0.013 0.000 0.866 159 D CB -0.280 40.525 40.800 0.009 0.000 0.913 159 D HN 0.802 9.172 8.370 -0.000 0.000 0.523 160 G N -0.276 108.533 108.800 0.014 0.000 2.163 160 G HA2 -0.251 3.707 3.960 -0.002 0.000 0.213 160 G HA3 -0.251 3.707 3.960 -0.002 0.000 0.213 160 G C 0.096 175.001 174.900 0.008 0.000 0.991 160 G CA -0.237 44.870 45.100 0.012 0.000 0.653 160 G HN 0.396 8.686 8.290 -0.000 0.000 0.518 161 K N 0.030 120.433 120.400 0.005 0.000 2.126 161 K HA 0.596 4.914 4.320 -0.002 0.000 0.257 161 K C -0.011 176.589 176.600 -0.000 0.000 1.007 161 K CA -0.493 55.795 56.287 0.001 0.000 0.928 161 K CB 1.029 33.527 32.500 -0.003 0.000 1.013 161 K HN 0.029 8.279 8.250 -0.000 0.000 0.473 162 I N 3.737 124.307 120.570 -0.001 0.000 2.359 162 I HA 0.280 4.449 4.170 -0.002 0.000 0.284 162 I C -0.119 175.996 176.117 -0.003 0.000 1.018 162 I CA -0.496 60.804 61.300 -0.000 0.000 1.173 162 I CB 0.676 38.679 38.000 0.004 0.000 1.326 162 I HN 0.482 8.692 8.210 -0.000 0.000 0.462 163 I N 6.372 126.936 120.570 -0.010 0.000 2.437 163 I HA 0.383 4.551 4.170 -0.002 0.000 0.298 163 I C -0.174 175.940 176.117 -0.006 0.000 0.984 163 I CA -0.812 60.480 61.300 -0.013 0.000 1.214 163 I CB 2.062 40.044 38.000 -0.029 0.000 1.365 163 I HN 0.078 8.288 8.210 -0.000 0.000 0.469 164 V N 7.328 127.243 119.914 0.002 0.000 2.325 164 V HA 0.380 4.499 4.120 -0.002 0.000 0.280 164 V C -0.010 176.095 176.094 0.018 0.000 1.016 164 V CA -0.367 61.942 62.300 0.016 0.000 0.818 164 V CB 1.006 32.842 31.823 0.022 0.000 1.019 164 V HN 0.448 8.638 8.190 -0.000 0.000 0.434 165 I N 6.492 127.072 120.570 0.017 0.000 2.331 165 I HA 0.355 4.524 4.170 -0.002 0.000 0.292 165 I C -2.400 173.742 176.117 0.043 0.000 0.998 165 I CA -2.056 59.253 61.300 0.016 0.000 1.267 165 I CB 1.807 39.802 38.000 -0.009 0.000 1.386 165 I HN 0.320 8.530 8.210 -0.000 0.000 0.476 166 P HA 0.125 4.545 4.420 -0.000 0.000 0.271 166 P C 0.087 177.411 177.300 0.040 0.000 1.226 166 P CA 0.083 63.211 63.100 0.047 0.000 0.765 166 P CB 0.386 32.102 31.700 0.028 0.000 0.835 167 N N 2.420 121.154 118.700 0.056 0.000 2.184 167 N HA -0.199 4.540 4.740 -0.002 0.000 0.190 167 N C 1.978 177.500 175.510 0.019 0.000 1.011 167 N CA 1.240 54.325 53.050 0.059 0.000 0.867 167 N CB -0.368 38.154 38.487 0.058 0.000 0.993 167 N HN 0.516 8.896 8.380 -0.000 0.000 0.433 168 G N 1.689 110.475 108.800 -0.022 0.000 2.421 168 G HA2 -0.281 3.677 3.960 -0.002 0.000 0.216 168 G HA3 -0.281 3.677 3.960 -0.002 0.000 0.216 168 G C 1.393 176.284 174.900 -0.015 0.000 1.171 168 G CA 0.645 45.723 45.100 -0.036 0.000 0.775 168 G HN 0.253 8.543 8.290 -0.000 0.000 0.543 169 K N 0.197 120.592 120.400 -0.008 0.000 2.097 169 K HA -0.001 4.317 4.320 -0.002 0.000 0.206 169 K C 2.458 179.060 176.600 0.004 0.000 1.049 169 K CA 0.950 57.233 56.287 -0.006 0.000 0.933 169 K CB -0.255 32.241 32.500 -0.006 0.000 0.717 169 K HN 0.369 8.619 8.250 -0.000 0.000 0.442 170 I N 0.887 121.470 120.570 0.022 0.000 2.163 170 I HA -0.294 3.875 4.170 -0.002 0.000 0.243 170 I C 2.390 178.540 176.117 0.056 0.000 1.085 170 I CA 1.289 62.615 61.300 0.043 0.000 1.347 170 I CB -0.251 37.812 38.000 0.105 0.000 1.044 170 I HN 0.236 8.446 8.210 -0.000 0.000 0.408 171 I N 0.618 121.218 120.570 0.049 0.000 2.439 171 I HA -0.225 3.944 4.170 -0.002 0.000 0.251 171 I C 2.760 178.884 176.117 0.012 0.000 1.139 171 I CA 0.991 62.312 61.300 0.036 0.000 1.438 171 I CB -0.195 37.810 38.000 0.009 0.000 1.085 171 I HN 0.169 8.379 8.210 -0.000 0.000 0.427 172 A N 0.599 123.420 122.820 0.000 0.000 1.877 172 A HA -0.005 4.313 4.320 -0.002 0.000 0.216 172 A C 1.661 179.242 177.584 -0.004 0.000 1.186 172 A CA 1.371 53.403 52.037 -0.008 0.000 0.620 172 A CB -1.249 17.744 19.000 -0.013 0.000 0.822 172 A HN 0.402 8.552 8.150 -0.000 0.000 0.443 173 G N -0.401 108.398 108.800 -0.002 0.000 2.634 173 G HA2 0.364 4.322 3.960 -0.002 0.000 0.255 173 G HA3 0.364 4.322 3.960 -0.002 0.000 0.255 173 G C -0.192 174.709 174.900 0.001 0.000 1.205 173 G CA -0.612 44.485 45.100 -0.005 0.000 0.884 173 G HN 0.397 8.687 8.290 -0.000 0.000 0.549 174 N N -0.850 117.847 118.700 -0.006 0.000 2.444 174 N HA 0.171 4.909 4.740 -0.002 0.000 0.255 174 N C -0.170 175.338 175.510 -0.003 0.000 1.255 174 N CA 0.275 53.323 53.050 -0.004 0.000 0.933 174 N CB 1.257 39.733 38.487 -0.017 0.000 1.143 174 N HN 0.260 8.640 8.380 -0.000 0.000 0.453 175 I N 1.849 122.426 120.570 0.011 0.000 2.411 175 I HA 0.339 4.508 4.170 -0.002 0.000 0.284 175 I C -0.148 175.962 176.117 -0.010 0.000 1.012 175 I CA -0.510 60.801 61.300 0.018 0.000 1.119 175 I CB 1.458 39.527 38.000 0.116 0.000 1.261 175 I HN 0.294 8.504 8.210 -0.000 0.000 0.448 176 I N 6.609 127.144 120.570 -0.059 0.000 2.330 176 I HA 0.375 4.543 4.170 -0.002 0.000 0.289 176 I C -0.856 175.182 176.117 -0.133 0.000 1.001 176 I CA -0.257 60.959 61.300 -0.140 0.000 1.193 176 I CB 0.930 38.802 38.000 -0.214 0.000 1.345 176 I HN 0.546 8.756 8.210 -0.000 0.000 0.461 177 N N 6.541 125.176 118.700 -0.108 0.000 2.437 177 N HA 0.243 4.981 4.740 -0.002 0.000 0.259 177 N C -0.093 175.403 175.510 -0.023 0.000 0.983 177 N CA -0.256 52.810 53.050 0.027 0.000 0.937 177 N CB 1.043 39.581 38.487 0.086 0.000 1.122 177 N HN 0.543 8.923 8.380 -0.000 0.000 0.499 178 F N 0.934 120.936 119.950 0.087 0.000 2.569 178 F HA 0.118 4.644 4.527 -0.002 0.000 0.295 178 F C 2.200 178.055 175.800 0.091 0.000 1.115 178 F CA 0.217 58.280 58.000 0.105 0.000 1.450 178 F CB 0.242 39.360 39.000 0.197 0.000 1.107 178 F HN 0.435 8.735 8.300 -0.000 0.000 0.563 179 S N -0.431 115.442 115.700 0.289 0.000 2.501 179 S HA -0.024 4.444 4.470 -0.002 0.000 0.220 179 S C 1.994 176.672 174.600 0.130 0.000 0.997 179 S CA 0.089 58.401 58.200 0.188 0.000 0.919 179 S CB -0.131 63.177 63.200 0.180 0.000 0.778 179 S HN 0.280 8.590 8.310 -0.000 0.000 0.523 180 R N 1.747 122.316 120.500 0.115 0.000 2.073 180 R HA -0.007 4.332 4.340 -0.002 0.000 0.234 180 R C 0.523 176.866 176.300 0.071 0.000 1.134 180 R CA 1.145 57.294 56.100 0.081 0.000 0.952 180 R CB 0.004 30.342 30.300 0.065 0.000 0.850 180 R HN 0.159 8.429 8.270 -0.000 0.000 0.433 181 E N 0.022 120.267 120.200 0.076 0.000 2.354 181 E HA 0.064 4.412 4.350 -0.002 0.000 0.269 181 E C -1.741 174.915 176.600 0.094 0.000 1.036 181 E CA -1.935 54.515 56.400 0.084 0.000 0.876 181 E CB 1.419 31.183 29.700 0.106 0.000 1.009 181 E HN 0.089 8.449 8.360 -0.000 0.000 0.416 182 P HA 0.004 4.424 4.420 -0.000 0.000 0.230 182 P C -0.175 177.189 177.300 0.107 0.000 1.168 182 P CA 0.300 63.450 63.100 0.083 0.000 0.793 182 P CB 0.579 32.317 31.700 0.062 0.000 0.851 183 V N 0.313 120.315 119.914 0.148 0.000 2.531 183 V HA 0.464 4.582 4.120 -0.002 0.000 0.301 183 V C -0.431 175.879 176.094 0.360 0.000 1.034 183 V CA -0.873 61.560 62.300 0.223 0.000 0.865 183 V CB 2.282 34.233 31.823 0.213 0.000 0.995 183 V HN -0.087 8.103 8.190 -0.000 0.000 0.424 184 R N 4.107 124.768 120.500 0.267 0.000 3.029 184 R HA 0.705 5.043 4.340 -0.002 0.000 0.239 184 R C -0.868 175.234 176.300 -0.329 0.000 1.351 184 R CA -1.009 55.131 56.100 0.067 0.000 1.052 184 R CB 1.453 31.738 30.300 -0.025 0.000 1.354 184 R HN 0.641 8.911 8.270 -0.000 0.000 0.499 185 R N 1.291 121.279 120.500 -0.854 0.000 2.575 185 R HA 0.318 4.657 4.340 -0.002 0.000 0.293 185 R C -1.411 174.531 176.300 -0.597 0.000 0.983 185 R CA -0.527 54.897 56.100 -1.128 0.000 0.887 185 R CB 1.298 30.213 30.300 -2.308 0.000 1.184 185 R HN 0.651 8.921 8.270 -0.000 0.000 0.445 186 N N 2.310 120.769 118.700 -0.401 0.000 2.509 186 N HA 0.117 4.855 4.740 -0.002 0.000 0.287 186 N C -0.973 174.359 175.510 -0.297 0.000 1.121 186 N CA -0.116 52.724 53.050 -0.351 0.000 0.977 186 N CB 1.745 40.101 38.487 -0.217 0.000 1.167 186 N HN 0.549 8.929 8.380 -0.000 0.000 0.476 187 E N 2.187 122.153 120.200 -0.390 0.000 2.235 187 E HA 0.249 4.597 4.350 -0.002 0.000 0.252 187 E C -1.246 175.216 176.600 -0.231 0.000 0.886 187 E CA -0.439 55.843 56.400 -0.197 0.000 0.767 187 E CB 0.510 30.113 29.700 -0.161 0.000 1.205 187 E HN 0.280 8.640 8.360 -0.000 0.000 0.421 188 F N 3.815 123.793 119.950 0.047 0.000 2.385 188 F HA 0.470 4.995 4.527 -0.002 0.000 0.336 188 F C 0.514 176.359 175.800 0.075 0.000 1.100 188 F CA -0.615 57.448 58.000 0.104 0.000 1.116 188 F CB 1.064 40.125 39.000 0.101 0.000 1.166 188 F HN 0.368 8.668 8.300 -0.000 0.000 0.511 189 I N 4.649 125.364 120.570 0.242 0.000 2.583 189 I HA 0.269 4.438 4.170 -0.002 0.000 0.276 189 I C -1.210 175.006 176.117 0.165 0.000 1.089 189 I CA -0.346 61.058 61.300 0.173 0.000 1.103 189 I CB 0.855 38.908 38.000 0.090 0.000 1.209 189 I HN 0.356 8.566 8.210 -0.000 0.000 0.484 190 I N 4.667 125.364 120.570 0.211 0.000 2.385 190 I HA 0.516 4.685 4.170 -0.002 0.000 0.294 190 I C 0.812 177.108 176.117 0.298 0.000 0.988 190 I CA -0.069 61.352 61.300 0.201 0.000 1.265 190 I CB 1.642 39.751 38.000 0.181 0.000 1.388 190 I HN 0.428 8.638 8.210 -0.000 0.000 0.480 191 G N 5.138 114.095 108.800 0.262 0.000 2.416 191 G HA2 0.658 4.617 3.960 -0.002 0.000 0.324 191 G HA3 0.658 4.617 3.960 -0.002 0.000 0.324 191 G C -0.613 174.515 174.900 0.380 0.000 1.194 191 G CA -0.528 44.724 45.100 0.253 0.000 0.922 191 G HN 0.595 8.885 8.290 -0.000 0.000 0.467 192 V N -0.136 119.974 119.914 0.327 0.000 3.204 192 V HA 0.948 5.067 4.120 -0.002 0.000 0.316 192 V C 0.688 176.843 176.094 0.101 0.000 1.160 192 V CA -0.825 61.638 62.300 0.271 0.000 1.044 192 V CB 1.173 33.145 31.823 0.249 0.000 1.136 192 V HN 1.237 9.427 8.190 -0.000 0.000 0.455 193 A N -0.557 122.297 122.820 0.057 0.000 2.366 193 A HA 0.479 4.798 4.320 -0.002 0.000 0.249 193 A C 0.493 178.094 177.584 0.028 0.000 1.084 193 A CA 0.000 52.060 52.037 0.039 0.000 0.794 193 A CB -0.319 18.702 19.000 0.036 0.000 1.034 193 A HN 0.981 9.131 8.150 -0.000 0.000 0.491 194 Y N 0.106 120.436 120.300 0.051 0.000 2.224 194 Y HA -0.213 4.336 4.550 -0.002 0.000 0.289 194 Y C 1.748 177.667 175.900 0.032 0.000 1.146 194 Y CA 2.243 60.367 58.100 0.041 0.000 1.182 194 Y CB 0.009 38.485 38.460 0.026 0.000 0.983 194 Y HN 0.868 9.148 8.280 -0.000 0.000 0.524 195 D N -1.319 119.185 120.400 0.174 0.000 2.323 195 D HA 0.015 4.653 4.640 -0.002 0.000 0.239 195 D C 0.165 176.492 176.300 0.046 0.000 1.129 195 D CA 0.093 54.149 54.000 0.095 0.000 0.865 195 D CB -0.235 40.599 40.800 0.057 0.000 0.913 195 D HN -0.083 8.287 8.370 -0.000 0.000 0.517 196 S N 0.292 116.018 115.700 0.044 0.000 2.592 196 S HA 0.030 4.499 4.470 -0.002 0.000 0.271 196 S C -0.065 174.538 174.600 0.004 0.000 1.326 196 S CA -0.692 57.501 58.200 -0.011 0.000 1.024 196 S CB 0.871 64.059 63.200 -0.021 0.000 0.921 196 S HN 0.283 8.593 8.310 -0.000 0.000 0.527 197 D N 2.063 122.430 120.400 -0.055 0.000 2.338 197 D HA 0.064 4.702 4.640 -0.002 0.000 0.255 197 D C 1.307 177.591 176.300 -0.026 0.000 1.237 197 D CA -0.342 53.635 54.000 -0.037 0.000 0.883 197 D CB 0.330 41.087 40.800 -0.072 0.000 1.087 197 D HN 0.280 8.650 8.370 -0.000 0.000 0.485 198 I N 3.272 123.882 120.570 0.066 0.000 2.145 198 I HA -0.288 3.880 4.170 -0.002 0.000 0.244 198 I C 1.688 177.814 176.117 0.016 0.000 1.075 198 I CA 1.248 62.639 61.300 0.152 0.000 1.332 198 I CB -0.545 37.568 38.000 0.188 0.000 1.033 198 I HN 0.490 8.700 8.210 -0.000 0.000 0.410 199 D N 0.175 120.572 120.400 -0.005 0.000 2.117 199 D HA -0.215 4.424 4.640 -0.002 0.000 0.198 199 D C 2.162 178.405 176.300 -0.095 0.000 0.982 199 D CA 1.140 55.119 54.000 -0.034 0.000 0.828 199 D CB -0.083 40.706 40.800 -0.018 0.000 0.967 199 D HN 0.498 8.868 8.370 -0.000 0.000 0.464 200 Q N 0.769 120.493 119.800 -0.126 0.000 2.079 200 Q HA -0.116 4.222 4.340 -0.002 0.000 0.200 200 Q C 2.196 178.033 176.000 -0.272 0.000 0.974 200 Q CA 1.018 56.716 55.803 -0.176 0.000 0.840 200 Q CB 0.123 28.748 28.738 -0.187 0.000 0.898 200 Q HN 0.014 8.284 8.270 -0.000 0.000 0.430 201 V N 1.403 121.090 119.914 -0.380 0.000 2.295 201 V HA -0.280 3.838 4.120 -0.002 0.000 0.246 201 V C 2.282 178.138 176.094 -0.397 0.000 1.049 201 V CA 2.104 64.065 62.300 -0.565 0.000 1.024 201 V CB -0.459 30.828 31.823 -0.894 0.000 0.648 201 V HN 0.363 8.553 8.190 -0.000 0.000 0.447 202 K N -0.572 119.623 120.400 -0.343 0.000 2.057 202 K HA -0.260 4.059 4.320 -0.002 0.000 0.207 202 K C 2.264 178.809 176.600 -0.091 0.000 1.049 202 K CA 1.732 57.912 56.287 -0.177 0.000 0.931 202 K CB -0.207 32.253 32.500 -0.066 0.000 0.714 202 K HN 0.329 8.579 8.250 -0.000 0.000 0.440 203 Q N 1.357 121.103 119.800 -0.091 0.000 2.050 203 Q HA -0.076 4.263 4.340 -0.002 0.000 0.202 203 Q C 1.827 177.803 176.000 -0.041 0.000 0.980 203 Q CA 1.432 57.202 55.803 -0.055 0.000 0.840 203 Q CB -0.147 28.556 28.738 -0.058 0.000 0.898 203 Q HN 0.309 8.579 8.270 -0.000 0.000 0.424 204 I N -0.254 120.284 120.570 -0.053 0.000 2.226 204 I HA -0.280 3.888 4.170 -0.002 0.000 0.245 204 I C 2.055 178.212 176.117 0.066 0.000 1.100 204 I CA 0.973 62.282 61.300 0.016 0.000 1.374 204 I CB -0.364 37.655 38.000 0.032 0.000 1.057 204 I HN 0.208 8.418 8.210 -0.000 0.000 0.413 205 L N 0.066 121.333 121.223 0.073 0.000 2.056 205 L HA -0.160 4.179 4.340 -0.002 0.000 0.207 205 L C 2.677 179.535 176.870 -0.020 0.000 1.078 205 L CA 1.442 56.294 54.840 0.020 0.000 0.749 205 L CB -0.927 41.138 42.059 0.009 0.000 0.901 205 L HN 0.241 8.471 8.230 -0.000 0.000 0.433 206 T N -0.467 114.081 114.554 -0.010 0.000 2.720 206 T HA -0.151 4.197 4.350 -0.002 0.000 0.268 206 T C 1.735 176.430 174.700 -0.007 0.000 1.037 206 T CA 1.397 63.495 62.100 -0.004 0.000 1.144 206 T CB -0.274 68.595 68.868 0.001 0.000 0.864 206 T HN 0.294 8.534 8.240 -0.000 0.000 0.444 207 N N 1.177 119.872 118.700 -0.008 0.000 2.120 207 N HA 0.001 4.739 4.740 -0.002 0.000 0.188 207 N C 1.938 177.439 175.510 -0.014 0.000 1.024 207 N CA 1.000 54.045 53.050 -0.008 0.000 0.852 207 N CB -0.410 38.073 38.487 -0.006 0.000 1.003 207 N HN 0.397 8.777 8.380 -0.000 0.000 0.424 208 I N 1.624 122.178 120.570 -0.025 0.000 2.163 208 I HA -0.250 3.918 4.170 -0.002 0.000 0.243 208 I C 2.270 178.354 176.117 -0.055 0.000 1.085 208 I CA 1.034 62.306 61.300 -0.048 0.000 1.347 208 I CB -0.399 37.548 38.000 -0.088 0.000 1.044 208 I HN 0.122 8.332 8.210 -0.000 0.000 0.408 209 I N -1.661 118.874 120.570 -0.059 0.000 2.439 209 I HA -0.200 3.969 4.170 -0.002 0.000 0.251 209 I C 2.505 178.622 176.117 0.001 0.000 1.139 209 I CA 1.122 62.401 61.300 -0.035 0.000 1.438 209 I CB -0.620 37.364 38.000 -0.025 0.000 1.085 209 I HN 0.182 8.392 8.210 -0.000 0.000 0.427 210 Q N 1.846 121.648 119.800 0.002 0.000 2.084 210 Q HA -0.170 4.168 4.340 -0.002 0.000 0.202 210 Q C 2.668 178.675 176.000 0.011 0.000 0.978 210 Q CA 2.494 58.303 55.803 0.011 0.000 0.844 210 Q CB -0.424 28.319 28.738 0.008 0.000 0.898 210 Q HN 0.787 9.057 8.270 -0.000 0.000 0.426 211 S N 0.137 115.839 115.700 0.003 0.000 2.406 211 S HA -0.121 4.348 4.470 -0.002 0.000 0.228 211 S C 0.958 175.563 174.600 0.009 0.000 1.020 211 S CA 0.520 58.722 58.200 0.004 0.000 0.965 211 S CB -0.148 63.051 63.200 -0.002 0.000 0.798 211 S HN 0.179 8.489 8.310 -0.000 0.000 0.488 212 E N 2.636 122.841 120.200 0.008 0.000 2.271 212 E HA 0.124 4.473 4.350 -0.002 0.000 0.255 212 E C -0.027 176.594 176.600 0.034 0.000 1.177 212 E CA 0.067 56.478 56.400 0.019 0.000 0.946 212 E CB -0.132 29.579 29.700 0.018 0.000 1.009 212 E HN 0.360 8.720 8.360 -0.000 0.000 0.451 213 D N 3.733 124.152 120.400 0.032 0.000 2.126 213 D HA -0.223 4.416 4.640 -0.002 0.000 0.190 213 D C 1.161 177.490 176.300 0.049 0.000 1.001 213 D CA 1.591 55.613 54.000 0.036 0.000 0.841 213 D CB 0.024 40.842 40.800 0.031 0.000 0.949 213 D HN 0.457 8.827 8.370 -0.000 0.000 0.446 214 R N -0.046 120.487 120.500 0.055 0.000 2.417 214 R HA -0.006 4.333 4.340 -0.002 0.000 0.220 214 R C 0.096 176.448 176.300 0.087 0.000 1.128 214 R CA 0.310 56.450 56.100 0.068 0.000 1.048 214 R CB -0.305 30.038 30.300 0.071 0.000 0.835 214 R HN 0.311 8.581 8.270 -0.000 0.000 0.483 215 I N 2.165 122.788 120.570 0.087 0.000 2.307 215 I HA 0.044 4.213 4.170 -0.002 0.000 0.287 215 I C -0.372 175.811 176.117 0.110 0.000 1.054 215 I CA -0.870 60.499 61.300 0.114 0.000 1.218 215 I CB 1.042 39.105 38.000 0.106 0.000 1.398 215 I HN -0.096 8.114 8.210 -0.000 0.000 0.475 216 L N 8.734 130.035 121.223 0.131 0.000 2.825 216 L HA -0.099 4.240 4.340 -0.002 0.000 0.278 216 L C 1.667 178.588 176.870 0.085 0.000 1.125 216 L CA 0.650 55.550 54.840 0.100 0.000 1.023 216 L CB -0.360 41.763 42.059 0.106 0.000 1.377 216 L HN 0.457 8.687 8.230 -0.000 0.000 0.471 217 K N 2.089 122.524 120.400 0.057 0.000 2.442 217 K HA -0.103 4.216 4.320 -0.002 0.000 0.198 217 K C 1.046 177.662 176.600 0.026 0.000 1.042 217 K CA 0.814 57.129 56.287 0.045 0.000 0.958 217 K CB -0.053 32.468 32.500 0.034 0.000 0.766 217 K HN 0.754 9.004 8.250 -0.000 0.000 0.474 218 D N -0.310 120.096 120.400 0.010 0.000 2.350 218 D HA -0.038 4.601 4.640 -0.002 0.000 0.213 218 D C 0.770 177.041 176.300 -0.048 0.000 1.031 218 D CA 0.012 54.002 54.000 -0.016 0.000 0.861 218 D CB 0.351 41.138 40.800 -0.022 0.000 0.926 218 D HN -0.014 8.356 8.370 -0.000 0.000 0.520 219 R N 0.645 121.111 120.500 -0.055 0.000 2.705 219 R HA 0.241 4.579 4.340 -0.002 0.000 0.246 219 R C 0.157 176.428 176.300 -0.048 0.000 1.142 219 R CA -0.792 55.216 56.100 -0.153 0.000 1.114 219 R CB 1.146 31.244 30.300 -0.337 0.000 1.256 219 R HN 0.043 8.313 8.270 -0.000 0.000 0.536 220 E N 1.139 121.288 120.200 -0.085 0.000 2.696 220 E HA -0.171 4.178 4.350 -0.002 0.000 0.270 220 E C -0.705 176.036 176.600 0.235 0.000 0.958 220 E CA 0.989 57.464 56.400 0.125 0.000 0.964 220 E CB 0.438 30.309 29.700 0.284 0.000 0.948 220 E HN 0.289 8.649 8.360 -0.000 0.000 0.472 221 M N 4.086 123.788 119.600 0.170 0.000 2.542 221 M HA 0.115 4.593 4.480 -0.002 0.000 0.273 221 M C -1.280 175.096 176.300 0.128 0.000 1.296 221 M CA -0.332 55.060 55.300 0.153 0.000 0.631 221 M CB 1.493 34.157 32.600 0.107 0.000 1.747 221 M HN 0.313 8.603 8.290 -0.000 0.000 0.378 222 T N 1.011 115.655 114.554 0.149 0.000 2.771 222 T HA 0.551 4.899 4.350 -0.002 0.000 0.291 222 T C -0.062 174.716 174.700 0.130 0.000 0.954 222 T CA -0.447 61.731 62.100 0.130 0.000 1.045 222 T CB 1.903 70.853 68.868 0.135 0.000 0.917 222 T HN 0.240 8.480 8.240 -0.000 0.000 0.484 223 V N 4.867 124.854 119.914 0.122 0.000 2.488 223 V HA 0.574 4.693 4.120 -0.002 0.000 0.293 223 V C -0.139 176.061 176.094 0.176 0.000 1.027 223 V CA -0.703 61.679 62.300 0.137 0.000 0.862 223 V CB 1.393 33.268 31.823 0.087 0.000 1.008 223 V HN 0.782 8.972 8.190 -0.000 0.000 0.428 224 R N 2.847 123.496 120.500 0.247 0.000 2.710 224 R HA 0.543 4.881 4.340 -0.002 0.000 0.270 224 R C -1.478 175.015 176.300 0.321 0.000 1.021 224 R CA -1.110 55.151 56.100 0.268 0.000 0.889 224 R CB 2.348 32.737 30.300 0.149 0.000 1.243 224 R HN 0.530 8.800 8.270 -0.000 0.000 0.464 225 L N 2.388 123.722 121.223 0.186 0.000 2.456 225 L HA 0.165 4.503 4.340 -0.002 0.000 0.277 225 L C 0.393 177.158 176.870 -0.175 0.000 1.124 225 L CA 0.617 55.259 54.840 -0.329 0.000 0.880 225 L CB 0.264 42.169 42.059 -0.256 0.000 1.192 225 L HN 0.646 8.876 8.230 -0.000 0.000 0.463 226 N N 3.145 121.726 118.700 -0.198 0.000 2.508 226 N HA 0.068 4.806 4.740 -0.002 0.000 0.186 226 N C -0.240 175.215 175.510 -0.092 0.000 1.034 226 N CA 0.552 53.553 53.050 -0.083 0.000 0.885 226 N CB 0.412 38.886 38.487 -0.021 0.000 1.135 226 N HN 0.747 9.127 8.380 -0.000 0.000 0.435 227 E N -0.121 119.997 120.200 -0.135 0.000 2.293 227 E HA 0.264 4.612 4.350 -0.002 0.000 0.270 227 E C -1.512 175.021 176.600 -0.112 0.000 0.879 227 E CA -0.705 55.641 56.400 -0.089 0.000 0.756 227 E CB 1.093 30.761 29.700 -0.052 0.000 1.208 227 E HN -0.005 8.355 8.360 -0.000 0.000 0.428 228 L N 4.261 125.462 121.223 -0.036 0.000 2.389 228 L HA 0.340 4.679 4.340 -0.002 0.000 0.265 228 L C 0.702 177.620 176.870 0.080 0.000 1.167 228 L CA 0.305 55.167 54.840 0.036 0.000 1.045 228 L CB 0.203 42.323 42.059 0.101 0.000 1.351 228 L HN 0.669 8.899 8.230 -0.000 0.000 0.419 229 G N 1.071 109.866 108.800 -0.009 0.000 2.744 229 G HA2 0.241 4.200 3.960 -0.002 0.000 0.257 229 G HA3 0.241 4.200 3.960 -0.002 0.000 0.257 229 G C 1.029 176.018 174.900 0.148 0.000 1.244 229 G CA 0.201 45.320 45.100 0.032 0.000 0.916 229 G HN 0.703 8.993 8.290 -0.000 0.000 0.564 230 A N -0.328 122.558 122.820 0.111 0.000 1.832 230 A HA 0.070 4.389 4.320 -0.002 0.000 0.214 230 A C 2.340 180.039 177.584 0.191 0.000 1.200 230 A CA 2.332 54.445 52.037 0.128 0.000 0.610 230 A CB -0.362 18.687 19.000 0.083 0.000 0.842 230 A HN 0.645 8.795 8.150 -0.000 0.000 0.444 231 S N -1.697 114.102 115.700 0.165 0.000 2.603 231 S HA 0.282 4.751 4.470 -0.002 0.000 0.232 231 S C 0.560 175.257 174.600 0.162 0.000 1.016 231 S CA 0.269 58.586 58.200 0.195 0.000 0.976 231 S CB 0.163 63.448 63.200 0.141 0.000 0.921 231 S HN 0.781 9.091 8.310 -0.000 0.000 0.516 232 S N 0.950 116.673 115.700 0.037 0.000 2.745 232 S HA 0.770 5.238 4.470 -0.002 0.000 0.306 232 S C -1.145 173.134 174.600 -0.534 0.000 1.137 232 S CA -0.788 57.316 58.200 -0.159 0.000 0.900 232 S CB 1.553 64.737 63.200 -0.027 0.000 1.176 232 S HN 0.244 8.554 8.310 -0.000 0.000 0.520 233 I N 2.607 122.877 120.570 -0.499 0.000 2.517 233 I HA 0.431 4.600 4.170 -0.002 0.000 0.280 233 I C -1.879 174.059 176.117 -0.298 0.000 1.061 233 I CA -0.673 60.291 61.300 -0.561 0.000 1.091 233 I CB 0.944 38.522 38.000 -0.705 0.000 1.205 233 I HN 0.860 9.070 8.210 -0.000 0.000 0.459 234 N N 6.722 125.263 118.700 -0.264 0.000 2.405 234 N HA 0.572 5.310 4.740 -0.002 0.000 0.299 234 N C -1.393 173.941 175.510 -0.294 0.000 1.075 234 N CA -0.451 52.518 53.050 -0.135 0.000 0.884 234 N CB 1.102 39.586 38.487 -0.005 0.000 1.194 234 N HN 0.217 8.597 8.380 -0.000 0.000 0.491 235 F N -0.065 119.932 119.950 0.079 0.000 2.458 235 F HA 0.539 5.064 4.527 -0.002 0.000 0.330 235 F C 0.353 176.212 175.800 0.097 0.000 1.082 235 F CA -1.184 56.869 58.000 0.088 0.000 0.995 235 F CB 1.532 40.602 39.000 0.117 0.000 1.170 235 F HN 0.216 8.516 8.300 -0.000 0.000 0.478 236 V N 3.850 123.911 119.914 0.244 0.000 2.547 236 V HA 0.762 4.881 4.120 -0.002 0.000 0.299 236 V C -1.249 174.976 176.094 0.218 0.000 1.040 236 V CA -0.565 61.850 62.300 0.192 0.000 0.913 236 V CB 1.901 33.794 31.823 0.117 0.000 0.992 236 V HN 0.528 8.718 8.190 -0.000 0.000 0.449 237 V N 7.483 127.540 119.914 0.237 0.000 2.525 237 V HA 0.608 4.727 4.120 -0.002 0.000 0.299 237 V C -0.298 175.953 176.094 0.263 0.000 1.034 237 V CA -0.677 61.763 62.300 0.234 0.000 0.863 237 V CB 1.969 33.912 31.823 0.201 0.000 0.999 237 V HN 0.910 9.100 8.190 -0.000 0.000 0.423 238 R N 3.407 124.020 120.500 0.189 0.000 2.393 238 R HA 0.810 5.149 4.340 -0.002 0.000 0.315 238 R C -1.414 174.986 176.300 0.167 0.000 0.952 238 R CA -0.532 55.650 56.100 0.137 0.000 0.842 238 R CB 2.317 32.678 30.300 0.102 0.000 1.163 238 R HN 0.468 8.738 8.270 -0.000 0.000 0.450 239 V N 3.820 123.809 119.914 0.125 0.000 2.686 239 V HA 0.394 4.512 4.120 -0.002 0.000 0.306 239 V C -1.183 174.959 176.094 0.080 0.000 1.065 239 V CA -0.831 61.581 62.300 0.188 0.000 0.894 239 V CB 1.779 33.736 31.823 0.223 0.000 1.004 239 V HN 0.662 8.852 8.190 -0.000 0.000 0.424 240 W N 3.047 124.395 121.300 0.079 0.000 2.375 240 W HA 0.762 5.421 4.660 -0.002 0.000 0.336 240 W C 0.470 177.024 176.519 0.059 0.000 1.160 240 W CA -0.006 57.374 57.345 0.059 0.000 1.266 240 W CB 1.507 30.992 29.460 0.041 0.000 1.195 240 W HN 0.563 8.743 8.180 -0.000 0.000 0.599 241 S N 0.324 116.186 115.700 0.269 0.000 2.672 241 S HA 0.369 4.838 4.470 -0.002 0.000 0.271 241 S C -1.279 173.414 174.600 0.156 0.000 1.171 241 S CA -1.320 56.985 58.200 0.175 0.000 0.817 241 S CB 1.159 64.430 63.200 0.119 0.000 1.150 241 S HN 0.401 8.711 8.310 -0.000 0.000 0.478 242 N N 0.598 119.365 118.700 0.112 0.000 2.524 242 N HA 0.437 5.176 4.740 -0.002 0.000 0.283 242 N C 0.977 176.529 175.510 0.070 0.000 1.142 242 N CA -0.155 52.952 53.050 0.095 0.000 0.984 242 N CB 0.734 39.266 38.487 0.074 0.000 1.155 242 N HN 0.461 8.841 8.380 -0.000 0.000 0.467 243 S N 1.045 116.785 115.700 0.066 0.000 2.435 243 S HA -0.297 4.171 4.470 -0.002 0.000 0.250 243 S C 1.973 176.582 174.600 0.015 0.000 1.065 243 S CA 1.937 60.161 58.200 0.040 0.000 1.243 243 S CB -1.105 62.124 63.200 0.049 0.000 1.158 243 S HN 0.840 9.150 8.310 -0.000 0.000 0.430 244 G N 2.287 111.099 108.800 0.020 0.000 2.672 244 G HA2 -0.358 3.601 3.960 -0.002 0.000 0.218 244 G HA3 -0.358 3.601 3.960 -0.002 0.000 0.218 244 G C 1.002 175.913 174.900 0.019 0.000 1.238 244 G CA 1.542 46.649 45.100 0.013 0.000 0.791 244 G HN 0.521 8.811 8.290 -0.000 0.000 0.606 245 D N 0.266 120.689 120.400 0.037 0.000 2.203 245 D HA -0.155 4.483 4.640 -0.002 0.000 0.199 245 D C 2.386 178.715 176.300 0.050 0.000 0.997 245 D CA 1.052 55.083 54.000 0.052 0.000 0.863 245 D CB -0.309 40.528 40.800 0.063 0.000 0.928 245 D HN 0.361 8.731 8.370 -0.000 0.000 0.458 246 L N 0.651 121.888 121.223 0.023 0.000 2.042 246 L HA -0.300 4.039 4.340 -0.002 0.000 0.210 246 L C 2.487 179.331 176.870 -0.042 0.000 1.076 246 L CA 1.600 56.438 54.840 -0.003 0.000 0.749 246 L CB -0.166 41.868 42.059 -0.042 0.000 0.893 246 L HN -0.079 8.151 8.230 -0.000 0.000 0.432 247 Q N 0.511 120.250 119.800 -0.102 0.000 2.084 247 Q HA -0.240 4.098 4.340 -0.002 0.000 0.202 247 Q C 1.775 177.721 176.000 -0.091 0.000 0.978 247 Q CA 2.572 58.233 55.803 -0.237 0.000 0.844 247 Q CB -0.331 28.225 28.738 -0.304 0.000 0.898 247 Q HN 0.634 8.904 8.270 -0.000 0.000 0.426 248 N N -1.032 117.733 118.700 0.108 0.000 2.270 248 N HA -0.082 4.656 4.740 -0.002 0.000 0.181 248 N C 1.565 177.207 175.510 0.219 0.000 1.016 248 N CA 1.196 54.408 53.050 0.270 0.000 0.870 248 N CB -0.096 38.518 38.487 0.210 0.000 0.979 248 N HN 0.043 8.423 8.380 -0.000 0.000 0.431 249 V N 0.385 120.394 119.914 0.159 0.000 2.295 249 V HA -0.268 3.851 4.120 -0.002 0.000 0.246 249 V C 1.896 178.155 176.094 0.275 0.000 1.049 249 V CA 1.559 63.968 62.300 0.181 0.000 1.024 249 V CB -0.665 31.257 31.823 0.164 0.000 0.648 249 V HN 0.374 8.564 8.190 -0.000 0.000 0.447 250 Y N -0.689 119.684 120.300 0.123 0.000 2.145 250 Y HA -0.234 4.315 4.550 -0.002 0.000 0.286 250 Y C 2.310 178.364 175.900 0.257 0.000 1.145 250 Y CA 1.584 59.767 58.100 0.138 0.000 1.148 250 Y CB -0.369 37.908 38.460 -0.306 0.000 0.981 250 Y HN 0.226 8.507 8.280 -0.000 0.000 0.507 251 W N 1.257 122.521 121.300 -0.060 0.000 2.358 251 W HA -0.198 4.460 4.660 -0.002 0.000 0.303 251 W C 2.125 178.560 176.519 -0.139 0.000 1.208 251 W CA 1.751 58.993 57.345 -0.171 0.000 1.274 251 W CB -0.937 28.500 29.460 -0.038 0.000 1.138 251 W HN 0.230 8.410 8.180 -0.000 0.000 0.515 252 D N -0.386 120.129 120.400 0.191 0.000 2.123 252 D HA -0.122 4.516 4.640 -0.002 0.000 0.200 252 D C 2.271 178.576 176.300 0.008 0.000 0.976 252 D CA 1.349 55.397 54.000 0.078 0.000 0.831 252 D CB -0.453 40.396 40.800 0.081 0.000 0.974 252 D HN -0.055 8.315 8.370 -0.000 0.000 0.469 253 V N 1.515 121.435 119.914 0.011 0.000 2.407 253 V HA -0.214 3.905 4.120 -0.002 0.000 0.248 253 V C 2.467 178.433 176.094 -0.213 0.000 1.055 253 V CA 0.998 63.210 62.300 -0.146 0.000 1.049 253 V CB -0.424 31.208 31.823 -0.318 0.000 0.662 253 V HN 0.127 8.317 8.190 -0.000 0.000 0.455 254 L N 0.436 121.587 121.223 -0.119 0.000 2.056 254 L HA -0.119 4.219 4.340 -0.002 0.000 0.207 254 L C 2.423 179.217 176.870 -0.127 0.000 1.078 254 L CA 2.216 56.967 54.840 -0.147 0.000 0.749 254 L CB -0.793 41.128 42.059 -0.230 0.000 0.901 254 L HN 0.436 8.666 8.230 -0.000 0.000 0.433 255 E N -0.642 119.509 120.200 -0.081 0.000 2.085 255 E HA -0.324 4.024 4.350 -0.002 0.000 0.194 255 E C 2.342 178.909 176.600 -0.054 0.000 0.994 255 E CA 1.144 57.509 56.400 -0.059 0.000 0.801 255 E CB -0.054 29.619 29.700 -0.046 0.000 0.743 255 E HN 0.361 8.721 8.360 -0.000 0.000 0.453 256 R N 0.701 121.160 120.500 -0.069 0.000 2.083 256 R HA -0.098 4.241 4.340 -0.002 0.000 0.237 256 R C 2.273 178.526 176.300 -0.080 0.000 1.137 256 R CA 1.556 57.619 56.100 -0.062 0.000 0.951 256 R CB -0.435 29.820 30.300 -0.075 0.000 0.851 256 R HN 0.276 8.546 8.270 -0.000 0.000 0.434 257 I N 0.563 121.032 120.570 -0.169 0.000 2.226 257 I HA -0.288 3.880 4.170 -0.002 0.000 0.245 257 I C 2.197 178.217 176.117 -0.161 0.000 1.100 257 I CA 1.482 62.599 61.300 -0.305 0.000 1.374 257 I CB -0.368 37.355 38.000 -0.461 0.000 1.057 257 I HN 0.170 8.380 8.210 -0.000 0.000 0.413 258 K N 1.679 122.073 120.400 -0.010 0.000 2.057 258 K HA -0.158 4.161 4.320 -0.002 0.000 0.207 258 K C 2.114 178.848 176.600 0.222 0.000 1.049 258 K CA 1.622 58.049 56.287 0.234 0.000 0.931 258 K CB -0.207 32.340 32.500 0.079 0.000 0.714 258 K HN 0.167 8.417 8.250 -0.000 0.000 0.440 259 R N 0.215 120.774 120.500 0.099 0.000 2.062 259 R HA -0.019 4.319 4.340 -0.002 0.000 0.229 259 R C 2.274 178.627 176.300 0.089 0.000 1.128 259 R CA 1.376 57.524 56.100 0.079 0.000 0.960 259 R CB -0.259 30.063 30.300 0.037 0.000 0.855 259 R HN 0.254 8.524 8.270 -0.000 0.000 0.432 260 E N 0.348 120.610 120.200 0.103 0.000 2.051 260 E HA -0.164 4.184 4.350 -0.002 0.000 0.192 260 E C 1.913 178.630 176.600 0.195 0.000 0.991 260 E CA 1.147 57.625 56.400 0.130 0.000 0.799 260 E CB -0.210 29.579 29.700 0.149 0.000 0.748 260 E HN 0.203 8.563 8.360 -0.000 0.000 0.449 261 F N 2.107 122.008 119.950 -0.081 0.000 2.134 261 F HA -0.152 4.373 4.527 -0.002 0.000 0.299 261 F C 2.139 177.789 175.800 -0.250 0.000 1.097 261 F CA 0.919 58.788 58.000 -0.217 0.000 1.264 261 F CB -0.580 38.188 39.000 -0.386 0.000 1.001 261 F HN -0.018 8.282 8.300 -0.000 0.000 0.479 262 D N -0.147 120.274 120.400 0.034 0.000 2.097 262 D HA -0.149 4.489 4.640 -0.002 0.000 0.195 262 D C 2.363 178.641 176.300 -0.036 0.000 0.989 262 D CA 1.513 55.497 54.000 -0.026 0.000 0.827 262 D CB -0.425 40.400 40.800 0.041 0.000 0.966 262 D HN 0.235 8.605 8.370 -0.000 0.000 0.456 263 A N 1.137 123.952 122.820 -0.008 0.000 1.873 263 A HA -0.025 4.294 4.320 -0.002 0.000 0.215 263 A C 2.290 179.843 177.584 -0.052 0.000 1.186 263 A CA 2.045 54.069 52.037 -0.022 0.000 0.616 263 A CB -0.649 18.347 19.000 -0.006 0.000 0.823 263 A HN 0.230 8.380 8.150 -0.000 0.000 0.442 264 A N -1.836 120.941 122.820 -0.071 0.000 2.125 264 A HA 0.324 4.642 4.320 -0.002 0.000 0.219 264 A C 1.952 179.449 177.584 -0.145 0.000 1.156 264 A CA 1.575 53.542 52.037 -0.117 0.000 0.671 264 A CB -1.003 17.895 19.000 -0.170 0.000 0.794 264 A HN 1.995 10.145 8.150 -0.000 0.000 0.459 265 G N -1.453 107.260 108.800 -0.146 0.000 2.141 265 G HA2 -0.203 3.755 3.960 -0.002 0.000 0.231 265 G HA3 -0.203 3.755 3.960 -0.002 0.000 0.231 265 G C 0.070 174.847 174.900 -0.205 0.000 0.984 265 G CA 0.091 45.102 45.100 -0.147 0.000 0.660 265 G HN 0.491 8.781 8.290 -0.000 0.000 0.525 266 I N 1.638 122.024 120.570 -0.307 0.000 2.471 266 I HA 0.348 4.516 4.170 -0.002 0.000 0.286 266 I C 0.849 176.735 176.117 -0.385 0.000 1.079 266 I CA 0.003 61.061 61.300 -0.403 0.000 1.398 266 I CB 1.512 39.064 38.000 -0.747 0.000 1.403 266 I HN 0.121 8.331 8.210 -0.000 0.000 0.530 267 S N 6.558 122.103 115.700 -0.259 0.000 2.452 267 S HA 0.448 4.917 4.470 -0.002 0.000 0.284 267 S C -0.397 174.144 174.600 -0.099 0.000 1.171 267 S CA -0.538 57.542 58.200 -0.200 0.000 1.064 267 S CB 0.140 63.276 63.200 -0.107 0.000 0.967 267 S HN 0.321 8.631 8.310 -0.000 0.000 0.484 268 F N 6.887 126.865 119.950 0.046 0.000 2.404 268 F HA 0.292 4.817 4.527 -0.002 0.000 0.359 268 F C -1.310 174.489 175.800 -0.001 0.000 1.134 268 F CA -1.893 56.147 58.000 0.067 0.000 1.160 268 F CB 0.811 39.855 39.000 0.074 0.000 1.186 268 F HN 0.422 8.722 8.300 -0.000 0.000 0.526 269 P HA 0.077 4.497 4.420 -0.000 0.000 0.278 269 P C -0.902 176.516 177.300 0.197 0.000 1.238 269 P CA -0.153 63.011 63.100 0.108 0.000 0.794 269 P CB 1.105 32.871 31.700 0.111 0.000 0.955 270 Y N 1.269 121.630 120.300 0.100 0.000 2.314 270 Y HA 0.325 4.874 4.550 -0.002 0.000 0.359 270 Y C -1.495 174.450 175.900 0.074 0.000 1.360 270 Y CA -2.374 55.774 58.100 0.080 0.000 1.697 270 Y CB -1.386 37.114 38.460 0.068 0.000 1.630 270 Y HN 0.274 8.554 8.280 -0.000 0.000 0.583 271 P HA 0.126 4.546 4.420 -0.000 0.000 0.276 271 P C -0.697 176.685 177.300 0.137 0.000 1.253 271 P CA -0.186 62.999 63.100 0.142 0.000 0.766 271 P CB 0.542 32.295 31.700 0.088 0.000 0.845 272 Q N 2.451 122.325 119.800 0.124 0.000 2.256 272 Q HA 0.678 5.016 4.340 -0.002 0.000 0.232 272 Q C -0.238 175.810 176.000 0.079 0.000 0.965 272 Q CA -0.213 55.653 55.803 0.105 0.000 0.908 272 Q CB 1.425 30.231 28.738 0.112 0.000 1.209 272 Q HN 0.438 8.708 8.270 -0.000 0.000 0.489 273 M N 1.178 120.815 119.600 0.062 0.000 2.342 273 M HA 0.208 4.687 4.480 -0.002 0.000 0.260 273 M C -2.160 174.157 176.300 0.028 0.000 1.023 273 M CA -0.204 55.124 55.300 0.047 0.000 0.919 273 M CB 1.638 34.270 32.600 0.054 0.000 2.048 273 M HN 0.266 8.556 8.290 -0.000 0.000 0.479 274 D N 3.686 124.095 120.400 0.014 0.000 2.317 274 D HA 0.409 5.047 4.640 -0.002 0.000 0.234 274 D C -1.038 175.258 176.300 -0.006 0.000 1.112 274 D CA 0.038 54.031 54.000 -0.011 0.000 0.840 274 D CB 2.374 43.161 40.800 -0.021 0.000 1.078 274 D HN 0.456 8.826 8.370 -0.000 0.000 0.486 275 V N 3.810 123.707 119.914 -0.028 0.000 2.459 275 V HA 0.277 4.396 4.120 -0.002 0.000 0.295 275 V C -0.838 175.218 176.094 -0.063 0.000 1.029 275 V CA -0.737 61.572 62.300 0.016 0.000 0.874 275 V CB 1.423 33.319 31.823 0.121 0.000 0.985 275 V HN 0.380 8.570 8.190 -0.000 0.000 0.438 276 N N 7.223 125.947 118.700 0.040 0.000 2.469 276 N HA 0.390 5.129 4.740 -0.002 0.000 0.253 276 N C -0.637 175.014 175.510 0.236 0.000 0.970 276 N CA -0.105 52.965 53.050 0.033 0.000 0.940 276 N CB 1.218 39.725 38.487 0.032 0.000 1.128 276 N HN 0.578 8.958 8.380 -0.000 0.000 0.503 277 F N 1.342 121.296 119.950 0.006 0.000 2.429 277 F HA 0.214 4.739 4.527 -0.002 0.000 0.348 277 F C 1.017 176.820 175.800 0.005 0.000 1.109 277 F CA -0.321 57.682 58.000 0.006 0.000 1.232 277 F CB 1.049 40.053 39.000 0.006 0.000 1.157 277 F HN 0.066 8.366 8.300 -0.000 0.000 0.564 278 K N 3.878 124.378 120.400 0.167 0.000 2.668 278 K HA 0.266 4.585 4.320 -0.002 0.000 0.246 278 K C -0.678 175.933 176.600 0.017 0.000 0.976 278 K CA -0.915 55.420 56.287 0.078 0.000 0.902 278 K CB 1.894 34.428 32.500 0.058 0.000 1.172 278 K HN 0.469 8.719 8.250 -0.000 0.000 0.452 279 R N 1.249 121.759 120.500 0.017 0.000 2.615 279 R HA 0.513 4.851 4.340 -0.002 0.000 0.270 279 R C -0.110 176.186 176.300 -0.006 0.000 1.081 279 R CA -0.411 55.682 56.100 -0.012 0.000 1.154 279 R CB 1.457 31.756 30.300 -0.001 0.000 1.063 279 R HN 0.429 8.699 8.270 -0.000 0.000 0.519 280 V N 0.000 119.905 119.914 -0.015 0.000 2.409 280 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 280 V CA 0.000 62.294 62.300 -0.010 0.000 1.235 280 V CB 0.000 31.817 31.823 -0.009 0.000 1.184 280 V HN 0.000 8.190 8.190 -0.000 0.000 0.556