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 2jk0_1_E DATA FIRST_RESID 3 DATA SEQUENCE NLPNIVILAT GGTIAGSAAX XXXXXXXXXX XXGVETLIQA VPELKTLANI DATA SEQUENCE KGEQVASIGS ENMTSDVLLT LSKRVNELLA RSDVDGVVIT HGTDTLDESP DATA SEQUENCE YFLNLTVKSD KPVVFVAAMR PATAISADGP MNLYGAVKVA ADKNSRGRGV DATA SEQUENCE LVVLNDRIGS ARFISKTNAS TLDTFKAPEE GYLGVIIGDK IYYQTRLDKV DATA SEQUENCE HTTRSVFDVT NVDKLPAVDI IYGYQDDPEY MYDASIKHGV KGIVYAGMGA DATA SEQUENCE GSVSKRGDAG IRKAESKGIV VVRSSRTGSG IVPPDAGQPG LVADSLSPAK DATA SEQUENCE SRILLMLALT KTTNPAVIQD YFHAY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 N HA 0.000 4.740 4.740 -0.000 0.000 0.220 3 N C 0.000 175.505 175.510 -0.008 0.000 1.280 3 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 3 N CB 0.000 38.484 38.487 -0.005 0.000 1.341 4 L N 3.562 124.779 121.223 -0.009 0.000 2.483 4 L HA 0.231 4.571 4.340 -0.001 0.000 0.276 4 L C -1.804 175.057 176.870 -0.015 0.000 1.213 4 L CA -1.001 53.831 54.840 -0.014 0.000 0.843 4 L CB -0.017 42.032 42.059 -0.016 0.000 1.107 4 L HN 0.421 8.652 8.230 -0.000 0.000 0.487 5 P HA 0.027 4.447 4.420 -0.000 0.000 0.272 5 P C -1.278 176.009 177.300 -0.022 0.000 1.230 5 P CA -0.309 62.780 63.100 -0.019 0.000 0.788 5 P CB 0.457 32.144 31.700 -0.021 0.000 0.949 6 N N 2.034 120.722 118.700 -0.020 0.000 2.485 6 N HA 0.261 5.000 4.740 -0.001 0.000 0.243 6 N C -0.331 175.164 175.510 -0.024 0.000 0.987 6 N CA -0.370 52.667 53.050 -0.021 0.000 0.940 6 N CB 0.800 39.277 38.487 -0.017 0.000 1.122 6 N HN 0.271 8.651 8.380 -0.000 0.000 0.509 7 I N 2.023 122.575 120.570 -0.030 0.000 2.437 7 I HA 0.364 4.533 4.170 -0.001 0.000 0.298 7 I C 0.353 176.450 176.117 -0.035 0.000 0.984 7 I CA -0.891 60.388 61.300 -0.035 0.000 1.214 7 I CB 1.693 39.666 38.000 -0.045 0.000 1.365 7 I HN 0.030 8.240 8.210 -0.000 0.000 0.469 8 V N 6.676 126.568 119.914 -0.037 0.000 2.417 8 V HA 0.457 4.576 4.120 -0.001 0.000 0.291 8 V C 0.164 176.228 176.094 -0.050 0.000 1.024 8 V CA -0.607 61.670 62.300 -0.038 0.000 0.861 8 V CB 1.949 33.751 31.823 -0.034 0.000 0.985 8 V HN 0.425 8.615 8.190 -0.000 0.000 0.436 9 I N 5.516 126.058 120.570 -0.048 0.000 2.353 9 I HA 0.374 4.543 4.170 -0.001 0.000 0.293 9 I C -0.789 175.291 176.117 -0.060 0.000 0.992 9 I CA -0.468 60.797 61.300 -0.058 0.000 1.268 9 I CB 1.452 39.424 38.000 -0.046 0.000 1.387 9 I HN 0.360 8.570 8.210 -0.000 0.000 0.478 10 L N 6.737 127.909 121.223 -0.084 0.000 2.295 10 L HA 0.499 4.838 4.340 -0.001 0.000 0.281 10 L C 0.347 177.171 176.870 -0.076 0.000 1.018 10 L CA -0.069 54.721 54.840 -0.083 0.000 0.841 10 L CB 1.330 43.325 42.059 -0.108 0.000 1.218 10 L HN 0.655 8.885 8.230 -0.000 0.000 0.424 11 A N 2.268 125.060 122.820 -0.047 0.000 2.409 11 A HA 0.549 4.868 4.320 -0.001 0.000 0.262 11 A C 0.829 178.399 177.584 -0.024 0.000 1.113 11 A CA 0.020 52.038 52.037 -0.031 0.000 0.790 11 A CB 0.270 19.256 19.000 -0.022 0.000 1.046 11 A HN 0.766 8.915 8.150 -0.000 0.000 0.496 12 T N 0.803 115.349 114.554 -0.012 0.000 2.966 12 T HA 0.503 4.853 4.350 -0.001 0.000 0.254 12 T C 0.938 175.618 174.700 -0.032 0.000 0.961 12 T CA 0.953 63.049 62.100 -0.006 0.000 0.915 12 T CB 0.201 69.103 68.868 0.055 0.000 1.186 12 T HN 2.034 10.274 8.240 -0.000 0.000 0.505 13 G N 0.483 109.266 108.800 -0.028 0.000 2.358 13 G HA2 0.401 4.360 3.960 -0.001 0.000 0.198 13 G HA3 0.401 4.360 3.960 -0.001 0.000 0.198 13 G C 0.137 175.013 174.900 -0.039 0.000 1.220 13 G CA -0.296 44.782 45.100 -0.036 0.000 1.187 13 G HN 1.296 9.586 8.290 -0.000 0.000 0.544 14 G N -2.979 105.791 108.800 -0.050 0.000 2.710 14 G HA2 0.257 4.217 3.960 -0.001 0.000 0.668 14 G HA3 0.257 4.217 3.960 -0.001 0.000 0.668 14 G C 0.863 175.760 174.900 -0.004 0.000 1.320 14 G CA 0.760 45.838 45.100 -0.038 0.000 0.860 14 G HN 1.926 10.216 8.290 -0.000 0.000 0.538 15 T N 0.194 114.756 114.554 0.013 0.000 2.833 15 T HA -0.112 4.237 4.350 -0.001 0.000 0.269 15 T C 2.485 177.202 174.700 0.027 0.000 1.054 15 T CA 1.715 63.829 62.100 0.022 0.000 1.135 15 T CB -0.209 68.679 68.868 0.033 0.000 0.869 15 T HN 0.662 8.902 8.240 -0.000 0.000 0.466 16 I N 0.887 121.479 120.570 0.037 0.000 2.248 16 I HA -0.167 4.003 4.170 -0.001 0.000 0.248 16 I C 1.513 177.643 176.117 0.023 0.000 1.107 16 I CA 1.158 62.480 61.300 0.037 0.000 1.373 16 I CB -0.104 37.923 38.000 0.045 0.000 1.055 16 I HN 0.178 8.388 8.210 -0.000 0.000 0.418 17 A N 0.560 123.389 122.820 0.015 0.000 3.106 17 A HA 0.633 4.952 4.320 -0.001 0.000 0.306 17 A C 0.315 177.901 177.584 0.004 0.000 1.192 17 A CA 0.071 52.112 52.037 0.007 0.000 0.994 17 A CB -0.641 18.360 19.000 0.002 0.000 1.107 17 A HN 0.387 8.537 8.150 -0.000 0.000 0.585 18 G N -0.761 108.043 108.800 0.007 0.000 2.495 18 G HA2 0.657 4.617 3.960 -0.001 0.000 0.318 18 G HA3 0.657 4.617 3.960 -0.001 0.000 0.318 18 G C -0.423 174.480 174.900 0.005 0.000 1.257 18 G CA 0.310 45.412 45.100 0.004 0.000 0.962 18 G HN 0.752 9.042 8.290 -0.000 0.000 0.483 19 S N -0.784 114.917 115.700 0.002 0.000 2.536 19 S HA 0.964 5.433 4.470 -0.001 0.000 0.298 19 S C 0.021 174.622 174.600 0.001 0.000 1.083 19 S CA -0.186 58.015 58.200 0.002 0.000 0.995 19 S CB 1.767 64.968 63.200 0.001 0.000 1.058 19 S HN 1.754 10.064 8.310 -0.000 0.000 0.488 20 A N 0.634 123.456 122.820 0.002 0.000 2.443 20 A HA 1.028 5.347 4.320 -0.001 0.000 0.278 20 A C 0.251 177.835 177.584 0.000 0.000 1.252 20 A CA -0.115 51.922 52.037 0.001 0.000 0.816 20 A CB 0.458 19.458 19.000 0.001 0.000 1.369 20 A HN 1.985 10.135 8.150 -0.000 0.000 0.446 36 V N -1.738 118.171 119.914 -0.008 0.000 0.690 36 V HA -0.372 3.747 4.120 -0.001 0.000 0.092 36 V C 1.606 177.695 176.094 -0.007 0.000 0.787 36 V CA 2.765 65.059 62.300 -0.009 0.000 3.100 36 V CB -1.404 30.414 31.823 -0.008 0.000 0.193 36 V HN 1.280 9.470 8.190 -0.000 0.000 0.096 37 E N 0.530 120.727 120.200 -0.006 0.000 2.481 37 E HA 0.105 4.454 4.350 -0.001 0.000 0.195 37 E C 1.914 178.514 176.600 -0.000 0.000 1.047 37 E CA 1.158 57.555 56.400 -0.004 0.000 0.867 37 E CB -0.451 29.246 29.700 -0.004 0.000 0.858 37 E HN 0.895 9.255 8.360 -0.000 0.000 0.513 38 T N 0.876 115.430 114.554 0.000 0.000 2.833 38 T HA -0.109 4.240 4.350 -0.001 0.000 0.269 38 T C 1.420 176.124 174.700 0.006 0.000 1.054 38 T CA 0.643 62.744 62.100 0.003 0.000 1.135 38 T CB 0.002 68.871 68.868 0.002 0.000 0.869 38 T HN 0.120 8.360 8.240 -0.000 0.000 0.466 39 L N 0.480 121.706 121.223 0.006 0.000 2.141 39 L HA 0.135 4.474 4.340 -0.001 0.000 0.209 39 L C 2.265 179.143 176.870 0.013 0.000 1.094 39 L CA 1.407 56.253 54.840 0.010 0.000 0.763 39 L CB -1.192 40.872 42.059 0.008 0.000 0.908 39 L HN 0.352 8.582 8.230 -0.000 0.000 0.437 40 I N -0.973 119.601 120.570 0.007 0.000 2.584 40 I HA -0.185 3.984 4.170 -0.001 0.000 0.255 40 I C 1.960 178.084 176.117 0.012 0.000 1.145 40 I CA 0.608 61.913 61.300 0.007 0.000 1.462 40 I CB -0.101 37.898 38.000 -0.002 0.000 1.102 40 I HN 0.261 8.471 8.210 -0.000 0.000 0.433 41 Q N 0.437 120.243 119.800 0.010 0.000 2.365 41 Q HA 0.172 4.511 4.340 -0.001 0.000 0.203 41 Q C 1.891 177.900 176.000 0.014 0.000 0.929 41 Q CA 0.401 56.210 55.803 0.011 0.000 0.948 41 Q CB 0.336 29.078 28.738 0.007 0.000 1.043 41 Q HN 0.507 8.777 8.270 -0.000 0.000 0.505 42 A N -0.123 122.708 122.820 0.017 0.000 2.115 42 A HA 0.128 4.447 4.320 -0.001 0.000 0.211 42 A C 0.679 178.279 177.584 0.027 0.000 1.169 42 A CA 0.282 52.331 52.037 0.019 0.000 0.787 42 A CB 0.840 19.851 19.000 0.018 0.000 0.858 42 A HN 0.123 8.273 8.150 -0.000 0.000 0.474 43 V N 1.455 121.392 119.914 0.038 0.000 2.315 43 V HA 0.223 4.342 4.120 -0.001 0.000 0.265 43 V C -1.996 174.135 176.094 0.062 0.000 1.019 43 V CA -0.930 61.407 62.300 0.061 0.000 0.824 43 V CB 1.185 33.067 31.823 0.097 0.000 1.072 43 V HN 0.253 8.443 8.190 -0.000 0.000 0.448 44 P HA -0.078 4.342 4.420 -0.000 0.000 0.226 44 P C 0.928 178.263 177.300 0.059 0.000 1.153 44 P CA 0.886 64.010 63.100 0.040 0.000 0.777 44 P CB 0.628 32.344 31.700 0.028 0.000 0.794 45 E N -0.190 120.065 120.200 0.092 0.000 2.409 45 E HA -0.035 4.314 4.350 -0.001 0.000 0.198 45 E C 2.037 178.744 176.600 0.177 0.000 1.024 45 E CA 0.376 56.861 56.400 0.142 0.000 0.861 45 E CB -0.925 28.873 29.700 0.164 0.000 0.788 45 E HN 0.269 8.629 8.360 -0.000 0.000 0.521 46 L N 0.349 121.644 121.223 0.120 0.000 2.079 46 L HA -0.236 4.103 4.340 -0.001 0.000 0.210 46 L C 1.935 178.800 176.870 -0.008 0.000 1.081 46 L CA 1.084 55.934 54.840 0.016 0.000 0.752 46 L CB -0.305 41.754 42.059 0.001 0.000 0.896 46 L HN 0.064 8.294 8.230 -0.000 0.000 0.433 47 K N -0.591 119.818 120.400 0.015 0.000 2.173 47 K HA -0.197 4.123 4.320 -0.001 0.000 0.207 47 K C 2.061 178.664 176.600 0.006 0.000 1.046 47 K CA 1.541 57.832 56.287 0.007 0.000 0.929 47 K CB -0.628 31.880 32.500 0.014 0.000 0.720 47 K HN 0.097 8.347 8.250 -0.000 0.000 0.453 48 T N -0.413 114.155 114.554 0.024 0.000 3.035 48 T HA 0.075 4.424 4.350 -0.001 0.000 0.268 48 T C 1.307 176.006 174.700 -0.001 0.000 1.109 48 T CA 0.699 62.816 62.100 0.027 0.000 1.119 48 T CB 0.066 68.976 68.868 0.069 0.000 0.900 48 T HN 0.074 8.314 8.240 -0.000 0.000 0.503 49 L N -0.397 120.801 121.223 -0.043 0.000 2.445 49 L HA 0.554 4.893 4.340 -0.001 0.000 0.207 49 L C 0.820 177.647 176.870 -0.071 0.000 1.053 49 L CA 0.006 54.793 54.840 -0.088 0.000 0.841 49 L CB 0.193 42.125 42.059 -0.212 0.000 1.074 49 L HN 0.155 8.385 8.230 -0.000 0.000 0.479 50 A N -0.847 121.935 122.820 -0.064 0.000 2.606 50 A HA 0.467 4.786 4.320 -0.001 0.000 0.293 50 A C -1.299 176.264 177.584 -0.035 0.000 1.082 50 A CA -0.679 51.328 52.037 -0.049 0.000 0.685 50 A CB 0.954 19.917 19.000 -0.061 0.000 1.284 50 A HN 0.037 8.187 8.150 -0.000 0.000 0.408 51 N N 0.668 119.352 118.700 -0.027 0.000 2.442 51 N HA 0.379 5.118 4.740 -0.001 0.000 0.265 51 N C -1.180 174.315 175.510 -0.025 0.000 1.138 51 N CA 0.484 53.521 53.050 -0.021 0.000 0.956 51 N CB 0.918 39.395 38.487 -0.017 0.000 1.067 51 N HN 0.507 8.887 8.380 -0.000 0.000 0.474 52 I N 2.410 122.966 120.570 -0.023 0.000 2.418 52 I HA 0.238 4.408 4.170 -0.001 0.000 0.287 52 I C -0.020 176.085 176.117 -0.020 0.000 1.008 52 I CA -0.471 60.813 61.300 -0.026 0.000 1.104 52 I CB 1.461 39.444 38.000 -0.029 0.000 1.264 52 I HN 0.136 8.346 8.210 -0.000 0.000 0.438 53 K N 3.579 123.966 120.400 -0.022 0.000 2.156 53 K HA 0.785 5.104 4.320 -0.001 0.000 0.254 53 K C -0.184 176.403 176.600 -0.023 0.000 0.950 53 K CA -0.649 55.626 56.287 -0.020 0.000 0.849 53 K CB 2.090 34.579 32.500 -0.018 0.000 1.100 53 K HN 0.702 8.952 8.250 -0.000 0.000 0.434 54 G N 0.856 109.644 108.800 -0.020 0.000 2.482 54 G HA2 0.504 4.463 3.960 -0.001 0.000 0.317 54 G HA3 0.504 4.463 3.960 -0.001 0.000 0.317 54 G C -1.448 173.439 174.900 -0.021 0.000 1.241 54 G CA -0.236 44.851 45.100 -0.022 0.000 0.967 54 G HN 0.541 8.831 8.290 -0.000 0.000 0.482 55 E N -0.114 120.072 120.200 -0.025 0.000 2.321 55 E HA 0.241 4.590 4.350 -0.001 0.000 0.281 55 E C -1.334 175.251 176.600 -0.025 0.000 0.910 55 E CA -0.669 55.717 56.400 -0.024 0.000 0.770 55 E CB 2.211 31.896 29.700 -0.026 0.000 1.225 55 E HN 0.319 8.679 8.360 -0.000 0.000 0.417 56 Q N 3.675 123.463 119.800 -0.020 0.000 2.490 56 Q HA 0.214 4.553 4.340 -0.001 0.000 0.226 56 Q C -0.137 175.851 176.000 -0.019 0.000 1.132 56 Q CA 0.070 55.861 55.803 -0.019 0.000 0.928 56 Q CB 0.873 29.602 28.738 -0.015 0.000 1.299 56 Q HN 0.506 8.776 8.270 -0.000 0.000 0.528 57 V N 1.577 121.478 119.914 -0.022 0.000 2.453 57 V HA 0.181 4.300 4.120 -0.001 0.000 0.247 57 V C 0.642 176.727 176.094 -0.016 0.000 1.048 57 V CA 1.420 63.708 62.300 -0.020 0.000 1.049 57 V CB -0.445 31.363 31.823 -0.025 0.000 0.672 57 V HN 0.742 8.932 8.190 -0.000 0.000 0.457 58 A N -1.376 121.434 122.820 -0.016 0.000 2.601 58 A HA 0.686 5.005 4.320 -0.001 0.000 0.291 58 A C -0.539 177.033 177.584 -0.020 0.000 1.075 58 A CA 0.072 52.099 52.037 -0.017 0.000 0.671 58 A CB 1.569 20.559 19.000 -0.016 0.000 1.277 58 A HN -0.042 8.108 8.150 -0.000 0.000 0.417 59 S N 0.806 116.493 115.700 -0.021 0.000 2.158 59 S HA 0.632 5.101 4.470 -0.001 0.000 0.160 59 S C -0.752 173.832 174.600 -0.028 0.000 1.693 59 S CA -0.298 57.888 58.200 -0.023 0.000 1.251 59 S CB -1.087 62.103 63.200 -0.017 0.000 1.153 59 S HN 1.239 9.549 8.310 -0.000 0.000 0.439 60 I N -0.277 120.268 120.570 -0.040 0.000 2.827 60 I HA 0.779 4.948 4.170 -0.001 0.000 0.298 60 I C 0.238 176.312 176.117 -0.070 0.000 1.235 60 I CA -1.365 59.907 61.300 -0.047 0.000 1.021 60 I CB 1.491 39.464 38.000 -0.045 0.000 1.259 60 I HN 0.371 8.581 8.210 -0.000 0.000 0.427 61 G N 2.061 110.825 108.800 -0.060 0.000 2.365 61 G HA2 0.260 4.219 3.960 -0.001 0.000 0.249 61 G HA3 0.260 4.219 3.960 -0.001 0.000 0.249 61 G C 1.019 175.860 174.900 -0.098 0.000 1.288 61 G CA 0.159 45.217 45.100 -0.070 0.000 0.887 61 G HN 1.019 9.309 8.290 -0.000 0.000 0.524 62 S N 1.490 117.097 115.700 -0.155 0.000 2.440 62 S HA -0.191 4.278 4.470 -0.001 0.000 0.240 62 S C 1.789 176.354 174.600 -0.059 0.000 1.014 62 S CA 1.873 59.958 58.200 -0.192 0.000 0.980 62 S CB -0.241 62.775 63.200 -0.307 0.000 0.775 62 S HN 0.683 8.993 8.310 -0.000 0.000 0.499 63 E N 2.348 122.527 120.200 -0.035 0.000 2.130 63 E HA -0.092 4.257 4.350 -0.001 0.000 0.196 63 E C 1.606 178.196 176.600 -0.017 0.000 0.998 63 E CA 1.381 57.772 56.400 -0.015 0.000 0.806 63 E CB -0.445 29.246 29.700 -0.015 0.000 0.738 63 E HN 0.592 8.952 8.360 -0.000 0.000 0.459 64 N N 0.141 118.824 118.700 -0.028 0.000 2.336 64 N HA 0.055 4.794 4.740 -0.001 0.000 0.189 64 N C 0.054 175.548 175.510 -0.026 0.000 1.113 64 N CA -0.092 52.943 53.050 -0.025 0.000 0.858 64 N CB 0.099 38.570 38.487 -0.026 0.000 0.970 64 N HN 0.204 8.584 8.380 -0.000 0.000 0.471 65 M N 2.219 121.802 119.600 -0.029 0.000 2.327 65 M HA -0.028 4.452 4.480 -0.001 0.000 0.353 65 M C 0.187 176.479 176.300 -0.013 0.000 1.539 65 M CA 0.020 55.311 55.300 -0.015 0.000 1.039 65 M CB -0.033 32.578 32.600 0.019 0.000 1.967 65 M HN 0.081 8.371 8.290 -0.000 0.000 0.459 66 T N 1.333 115.870 114.554 -0.029 0.000 2.918 66 T HA 0.428 4.777 4.350 -0.001 0.000 0.286 66 T C 0.874 175.527 174.700 -0.079 0.000 1.026 66 T CA -0.352 61.725 62.100 -0.039 0.000 1.031 66 T CB 1.441 70.292 68.868 -0.028 0.000 1.046 66 T HN 0.710 8.950 8.240 -0.000 0.000 0.479 67 S N 0.884 116.541 115.700 -0.073 0.000 2.380 67 S HA -0.222 4.247 4.470 -0.001 0.000 0.229 67 S C 1.490 176.030 174.600 -0.099 0.000 1.043 67 S CA 2.037 60.176 58.200 -0.102 0.000 1.038 67 S CB -0.912 62.279 63.200 -0.015 0.000 0.872 67 S HN 0.773 9.083 8.310 -0.000 0.000 0.456 68 D N 0.348 120.719 120.400 -0.049 0.000 2.104 68 D HA -0.085 4.555 4.640 -0.001 0.000 0.194 68 D C 2.101 178.372 176.300 -0.048 0.000 0.994 68 D CA 1.556 55.538 54.000 -0.031 0.000 0.830 68 D CB -0.453 40.339 40.800 -0.014 0.000 0.959 68 D HN 0.352 8.722 8.370 -0.000 0.000 0.452 69 V N 1.375 121.254 119.914 -0.059 0.000 2.490 69 V HA -0.184 3.936 4.120 -0.001 0.000 0.250 69 V C 2.572 178.610 176.094 -0.094 0.000 1.061 69 V CA 0.890 63.157 62.300 -0.056 0.000 1.064 69 V CB -0.312 31.488 31.823 -0.038 0.000 0.670 69 V HN 0.221 8.411 8.190 -0.000 0.000 0.461 70 L N -0.988 120.114 121.223 -0.201 0.000 2.291 70 L HA -0.112 4.227 4.340 -0.001 0.000 0.214 70 L C 2.256 178.945 176.870 -0.301 0.000 1.120 70 L CA 1.058 55.655 54.840 -0.406 0.000 0.799 70 L CB -0.317 41.178 42.059 -0.940 0.000 0.925 70 L HN 0.341 8.571 8.230 -0.000 0.000 0.446 71 L N -0.913 120.236 121.223 -0.123 0.000 2.023 71 L HA -0.169 4.171 4.340 -0.001 0.000 0.205 71 L C 2.617 179.511 176.870 0.040 0.000 1.073 71 L CA 1.533 56.402 54.840 0.049 0.000 0.745 71 L CB -0.782 41.312 42.059 0.059 0.000 0.900 71 L HN 0.214 8.444 8.230 -0.000 0.000 0.435 72 T N 0.351 114.907 114.554 0.004 0.000 2.684 72 T HA -0.239 4.110 4.350 -0.001 0.000 0.267 72 T C 1.793 176.499 174.700 0.010 0.000 1.036 72 T CA 1.557 63.661 62.100 0.007 0.000 1.148 72 T CB -0.374 68.491 68.868 -0.006 0.000 0.863 72 T HN 0.115 8.355 8.240 -0.000 0.000 0.436 73 L N 0.956 122.178 121.223 -0.001 0.000 2.093 73 L HA 0.064 4.403 4.340 -0.001 0.000 0.208 73 L C 2.576 179.468 176.870 0.038 0.000 1.085 73 L CA 1.688 56.530 54.840 0.004 0.000 0.755 73 L CB -0.854 41.201 42.059 -0.006 0.000 0.904 73 L HN 0.216 8.446 8.230 -0.000 0.000 0.435 74 S N -0.940 114.812 115.700 0.086 0.000 2.377 74 S HA -0.143 4.326 4.470 -0.001 0.000 0.223 74 S C 2.011 176.663 174.600 0.086 0.000 1.030 74 S CA 1.023 59.306 58.200 0.140 0.000 0.970 74 S CB -0.155 63.217 63.200 0.286 0.000 0.830 74 S HN 0.526 8.836 8.310 -0.000 0.000 0.473 75 K N 0.558 121.002 120.400 0.072 0.000 2.063 75 K HA -0.132 4.187 4.320 -0.001 0.000 0.208 75 K C 2.433 179.050 176.600 0.027 0.000 1.048 75 K CA 1.536 57.850 56.287 0.045 0.000 0.928 75 K CB -0.238 32.286 32.500 0.039 0.000 0.713 75 K HN 0.163 8.413 8.250 -0.000 0.000 0.442 76 R N 1.385 121.898 120.500 0.021 0.000 2.075 76 R HA -0.072 4.268 4.340 -0.001 0.000 0.232 76 R C 1.999 178.301 176.300 0.003 0.000 1.126 76 R CA 1.118 57.221 56.100 0.006 0.000 0.963 76 R CB -0.667 29.631 30.300 -0.003 0.000 0.858 76 R HN -0.026 8.244 8.270 -0.000 0.000 0.435 77 V N 1.523 121.442 119.914 0.008 0.000 2.255 77 V HA -0.278 3.842 4.120 -0.001 0.000 0.247 77 V C 1.857 177.958 176.094 0.011 0.000 1.051 77 V CA 2.205 64.507 62.300 0.004 0.000 1.018 77 V CB -0.624 31.209 31.823 0.016 0.000 0.641 77 V HN 0.417 8.607 8.190 -0.000 0.000 0.445 78 N N -0.229 118.484 118.700 0.022 0.000 2.166 78 N HA -0.202 4.537 4.740 -0.001 0.000 0.186 78 N C 1.878 177.393 175.510 0.010 0.000 1.019 78 N CA 1.574 54.635 53.050 0.018 0.000 0.856 78 N CB -0.249 38.252 38.487 0.023 0.000 0.993 78 N HN 0.627 9.007 8.380 -0.000 0.000 0.426 79 E N 0.616 120.821 120.200 0.008 0.000 2.049 79 E HA -0.120 4.229 4.350 -0.001 0.000 0.198 79 E C 1.992 178.592 176.600 -0.000 0.000 1.007 79 E CA 1.030 57.432 56.400 0.004 0.000 0.809 79 E CB -0.048 29.654 29.700 0.003 0.000 0.749 79 E HN 0.266 8.626 8.360 -0.000 0.000 0.450 80 L N 0.116 121.337 121.223 -0.003 0.000 2.109 80 L HA -0.118 4.222 4.340 -0.001 0.000 0.207 80 L C 2.347 179.213 176.870 -0.006 0.000 1.086 80 L CA 0.576 55.412 54.840 -0.007 0.000 0.760 80 L CB -0.193 41.858 42.059 -0.014 0.000 0.910 80 L HN 0.220 8.450 8.230 -0.000 0.000 0.437 81 L N -0.495 120.727 121.223 -0.002 0.000 2.275 81 L HA -0.105 4.234 4.340 -0.001 0.000 0.215 81 L C 2.582 179.452 176.870 0.000 0.000 1.119 81 L CA 0.712 55.551 54.840 -0.000 0.000 0.790 81 L CB -0.589 41.473 42.059 0.005 0.000 0.919 81 L HN 0.227 8.457 8.230 -0.000 0.000 0.443 82 A N -0.432 122.388 122.820 0.000 0.000 2.123 82 A HA -0.031 4.289 4.320 -0.001 0.000 0.214 82 A C 1.394 178.976 177.584 -0.002 0.000 1.152 82 A CA 0.001 52.037 52.037 -0.001 0.000 0.728 82 A CB -0.185 18.815 19.000 -0.000 0.000 0.814 82 A HN 0.219 8.369 8.150 -0.000 0.000 0.464 83 R N 0.953 121.451 120.500 -0.003 0.000 2.442 83 R HA 0.150 4.489 4.340 -0.001 0.000 0.291 83 R C 1.036 177.333 176.300 -0.005 0.000 1.069 83 R CA 0.572 56.669 56.100 -0.005 0.000 1.022 83 R CB 0.496 30.792 30.300 -0.006 0.000 0.976 83 R HN 0.429 8.699 8.270 -0.000 0.000 0.443 84 S N 1.568 117.265 115.700 -0.005 0.000 2.603 84 S HA -0.077 4.392 4.470 -0.001 0.000 0.220 84 S C 0.697 175.294 174.600 -0.006 0.000 0.967 84 S CA 0.538 58.734 58.200 -0.005 0.000 0.920 84 S CB 0.052 63.249 63.200 -0.005 0.000 0.773 84 S HN 0.828 9.138 8.310 -0.000 0.000 0.529 85 D N 0.657 121.053 120.400 -0.007 0.000 2.440 85 D HA 0.108 4.747 4.640 -0.001 0.000 0.216 85 D C -0.355 175.939 176.300 -0.010 0.000 1.150 85 D CA -0.171 53.824 54.000 -0.008 0.000 0.832 85 D CB 0.542 41.337 40.800 -0.008 0.000 0.992 85 D HN 0.267 8.637 8.370 -0.000 0.000 0.502 86 V N 1.617 121.525 119.914 -0.010 0.000 2.407 86 V HA 0.153 4.272 4.120 -0.001 0.000 0.291 86 V C 0.086 176.173 176.094 -0.011 0.000 1.018 86 V CA -0.603 61.689 62.300 -0.013 0.000 0.842 86 V CB 1.821 33.636 31.823 -0.013 0.000 0.996 86 V HN -0.123 8.067 8.190 -0.000 0.000 0.426 87 D N 3.097 123.489 120.400 -0.013 0.000 2.301 87 D HA 0.277 4.916 4.640 -0.001 0.000 0.206 87 D C 0.869 177.163 176.300 -0.010 0.000 0.979 87 D CA 1.315 55.308 54.000 -0.011 0.000 0.874 87 D CB 1.137 41.929 40.800 -0.012 0.000 0.968 87 D HN 0.744 9.114 8.370 -0.000 0.000 0.510 88 G N -0.914 107.877 108.800 -0.015 0.000 2.646 88 G HA2 0.488 4.448 3.960 -0.001 0.000 0.291 88 G HA3 0.488 4.448 3.960 -0.001 0.000 0.291 88 G C -1.839 173.044 174.900 -0.028 0.000 1.445 88 G CA -0.414 44.677 45.100 -0.016 0.000 0.814 88 G HN -0.093 8.197 8.290 -0.000 0.000 0.495 89 V N 0.316 120.210 119.914 -0.033 0.000 2.577 89 V HA 0.565 4.684 4.120 -0.001 0.000 0.303 89 V C -0.426 175.619 176.094 -0.082 0.000 1.042 89 V CA -0.684 61.581 62.300 -0.059 0.000 0.872 89 V CB 1.670 33.455 31.823 -0.063 0.000 0.998 89 V HN 0.646 8.836 8.190 -0.000 0.000 0.423 90 V N 6.504 126.361 119.914 -0.095 0.000 2.435 90 V HA 0.526 4.646 4.120 -0.001 0.000 0.290 90 V C -0.226 175.762 176.094 -0.176 0.000 1.030 90 V CA -0.366 61.867 62.300 -0.111 0.000 0.881 90 V CB 1.829 33.608 31.823 -0.072 0.000 0.983 90 V HN 0.682 8.872 8.190 -0.000 0.000 0.445 91 I N 3.922 124.323 120.570 -0.281 0.000 2.382 91 I HA 0.254 4.423 4.170 -0.001 0.000 0.285 91 I C 0.312 176.292 176.117 -0.227 0.000 1.007 91 I CA -0.180 60.867 61.300 -0.421 0.000 1.142 91 I CB 1.841 39.206 38.000 -1.059 0.000 1.289 91 I HN 0.493 8.703 8.210 -0.000 0.000 0.453 92 T N 4.899 119.394 114.554 -0.097 0.000 2.779 92 T HA 0.218 4.567 4.350 -0.001 0.000 0.296 92 T C -0.645 174.117 174.700 0.103 0.000 0.938 92 T CA 0.403 62.507 62.100 0.007 0.000 1.119 92 T CB -0.080 68.783 68.868 -0.008 0.000 0.891 92 T HN 0.475 8.715 8.240 -0.000 0.000 0.526 93 H N 0.786 119.874 119.070 0.030 0.000 3.079 93 H HA 0.505 5.060 4.556 -0.002 0.000 0.356 93 H C 0.258 175.639 175.328 0.089 0.000 1.221 93 H CA -0.390 55.709 56.048 0.085 0.000 1.185 93 H CB 1.032 30.924 29.762 0.217 0.000 1.882 93 H HN 0.784 9.064 8.280 -0.000 0.000 0.543 94 G N 0.333 108.997 108.800 -0.227 0.000 2.594 94 G HA2 0.220 4.179 3.960 -0.001 0.000 0.243 94 G HA3 0.220 4.179 3.960 -0.001 0.000 0.243 94 G C 0.989 175.988 174.900 0.164 0.000 1.229 94 G CA 0.207 45.272 45.100 -0.059 0.000 0.843 94 G HN 0.785 9.075 8.290 -0.000 0.000 0.578 95 T N -2.072 112.600 114.554 0.198 0.000 3.035 95 T HA -0.020 4.329 4.350 -0.001 0.000 0.259 95 T C 1.459 176.337 174.700 0.296 0.000 1.078 95 T CA 1.117 63.431 62.100 0.357 0.000 1.132 95 T CB -0.000 69.100 68.868 0.387 0.000 0.900 95 T HN 0.311 8.552 8.240 -0.000 0.000 0.480 96 D N 1.451 121.943 120.400 0.154 0.000 2.271 96 D HA -0.040 4.600 4.640 -0.001 0.000 0.207 96 D C 1.370 177.743 176.300 0.121 0.000 0.983 96 D CA 1.207 55.267 54.000 0.099 0.000 0.878 96 D CB -0.164 40.662 40.800 0.044 0.000 0.920 96 D HN 0.457 8.827 8.370 -0.000 0.000 0.479 97 T N -0.662 114.000 114.554 0.181 0.000 3.460 97 T HA 0.212 4.561 4.350 -0.001 0.000 0.304 97 T C 1.181 176.042 174.700 0.268 0.000 0.991 97 T CA -0.283 61.934 62.100 0.195 0.000 0.975 97 T CB -0.143 68.817 68.868 0.153 0.000 1.196 97 T HN -0.011 8.229 8.240 -0.000 0.000 0.490 98 L N 0.541 121.935 121.223 0.285 0.000 2.622 98 L HA 0.072 4.411 4.340 -0.001 0.000 0.233 98 L C 1.477 178.377 176.870 0.051 0.000 1.156 98 L CA 0.620 55.526 54.840 0.110 0.000 0.866 98 L CB 0.024 42.131 42.059 0.080 0.000 0.980 98 L HN 0.232 8.462 8.230 -0.000 0.000 0.448 99 D N 0.083 120.561 120.400 0.130 0.000 2.123 99 D HA -0.147 4.492 4.640 -0.001 0.000 0.200 99 D C 1.950 178.270 176.300 0.033 0.000 0.976 99 D CA 1.116 55.166 54.000 0.085 0.000 0.831 99 D CB 0.293 41.147 40.800 0.091 0.000 0.974 99 D HN 0.306 8.676 8.370 -0.000 0.000 0.469 100 E N 0.034 120.260 120.200 0.043 0.000 2.057 100 E HA 0.055 4.404 4.350 -0.001 0.000 0.190 100 E C 2.236 178.843 176.600 0.012 0.000 0.969 100 E CA 0.570 57.007 56.400 0.062 0.000 0.812 100 E CB -0.078 29.667 29.700 0.075 0.000 0.777 100 E HN -0.060 8.300 8.360 -0.000 0.000 0.455 101 S N 1.165 116.798 115.700 -0.112 0.000 2.353 101 S HA -0.092 4.377 4.470 -0.001 0.000 0.222 101 S C -0.906 173.464 174.600 -0.385 0.000 1.035 101 S CA 1.613 59.685 58.200 -0.213 0.000 1.025 101 S CB -1.156 61.866 63.200 -0.296 0.000 0.902 101 S HN 0.143 8.453 8.310 -0.000 0.000 0.440 102 P HA -0.111 4.309 4.420 -0.000 0.000 0.215 102 P C 1.208 178.360 177.300 -0.246 0.000 1.153 102 P CA 0.947 63.470 63.100 -0.962 0.000 0.853 102 P CB -0.082 31.029 31.700 -0.982 0.000 0.788 103 Y N -0.757 119.404 120.300 -0.232 0.000 2.293 103 Y HA -0.158 4.392 4.550 -0.001 0.000 0.291 103 Y C 2.149 178.000 175.900 -0.082 0.000 1.137 103 Y CA 0.912 58.928 58.100 -0.140 0.000 1.202 103 Y CB -1.105 37.278 38.460 -0.128 0.000 0.990 103 Y HN -0.158 8.122 8.280 -0.000 0.000 0.537 104 F N 0.071 119.894 119.950 -0.211 0.000 2.095 104 F HA -0.280 4.246 4.527 -0.002 0.000 0.298 104 F C 1.906 177.580 175.800 -0.211 0.000 1.104 104 F CA 1.837 59.692 58.000 -0.242 0.000 1.232 104 F CB -0.315 38.613 39.000 -0.119 0.000 0.987 104 F HN -0.011 8.289 8.300 -0.000 0.000 0.475 105 L N -0.099 121.225 121.223 0.168 0.000 2.291 105 L HA -0.167 4.172 4.340 -0.001 0.000 0.214 105 L C 1.933 178.799 176.870 -0.007 0.000 1.120 105 L CA 1.084 56.011 54.840 0.146 0.000 0.799 105 L CB -1.025 41.208 42.059 0.290 0.000 0.925 105 L HN 0.235 8.465 8.230 -0.000 0.000 0.446 106 N N 0.727 119.372 118.700 -0.093 0.000 2.166 106 N HA -0.142 4.597 4.740 -0.001 0.000 0.186 106 N C 1.831 177.261 175.510 -0.134 0.000 1.019 106 N CA 1.188 54.180 53.050 -0.097 0.000 0.856 106 N CB -0.040 38.379 38.487 -0.114 0.000 0.993 106 N HN 0.224 8.604 8.380 -0.000 0.000 0.426 107 L N -1.598 119.416 121.223 -0.348 0.000 2.240 107 L HA 0.037 4.377 4.340 -0.001 0.000 0.211 107 L C 1.948 178.708 176.870 -0.183 0.000 1.106 107 L CA 0.840 55.495 54.840 -0.310 0.000 0.793 107 L CB -0.167 41.445 42.059 -0.745 0.000 0.927 107 L HN 0.133 8.363 8.230 -0.000 0.000 0.446 108 T N -1.417 112.999 114.554 -0.230 0.000 3.034 108 T HA 0.144 4.493 4.350 -0.001 0.000 0.248 108 T C 0.778 175.455 174.700 -0.037 0.000 1.040 108 T CA -0.063 61.936 62.100 -0.169 0.000 1.107 108 T CB 0.352 69.050 68.868 -0.284 0.000 0.932 108 T HN -0.167 8.073 8.240 -0.000 0.000 0.474 109 V N 3.041 122.955 119.914 0.001 0.000 2.740 109 V HA 0.122 4.241 4.120 -0.001 0.000 0.303 109 V C 1.179 177.287 176.094 0.023 0.000 1.054 109 V CA 0.353 62.672 62.300 0.032 0.000 1.106 109 V CB 1.142 32.998 31.823 0.056 0.000 0.957 109 V HN 0.223 8.413 8.190 -0.000 0.000 0.486 110 K N 1.851 122.263 120.400 0.019 0.000 2.348 110 K HA 0.139 4.458 4.320 -0.001 0.000 0.194 110 K C 0.925 177.530 176.600 0.009 0.000 1.052 110 K CA 0.395 56.687 56.287 0.009 0.000 1.004 110 K CB 0.572 33.075 32.500 0.004 0.000 0.873 110 K HN 0.780 9.030 8.250 -0.000 0.000 0.523 111 S N 0.070 115.780 115.700 0.017 0.000 2.745 111 S HA 0.263 4.733 4.470 -0.001 0.000 0.292 111 S C 0.566 175.181 174.600 0.025 0.000 1.133 111 S CA -0.547 57.661 58.200 0.014 0.000 0.998 111 S CB 1.709 64.915 63.200 0.010 0.000 1.087 111 S HN -0.109 8.201 8.310 -0.000 0.000 0.551 112 D N 0.484 120.895 120.400 0.019 0.000 2.317 112 D HA 0.116 4.756 4.640 -0.001 0.000 0.211 112 D C 0.097 176.411 176.300 0.023 0.000 0.966 112 D CA 0.641 54.657 54.000 0.026 0.000 0.876 112 D CB -0.083 40.724 40.800 0.013 0.000 0.927 112 D HN 0.525 8.895 8.370 -0.000 0.000 0.519 113 K N 1.439 121.849 120.400 0.017 0.000 2.436 113 K HA 0.108 4.427 4.320 -0.001 0.000 0.275 113 K C -2.456 174.155 176.600 0.020 0.000 0.999 113 K CA -1.192 55.103 56.287 0.013 0.000 0.980 113 K CB 0.325 32.829 32.500 0.007 0.000 0.919 113 K HN -0.079 8.171 8.250 -0.000 0.000 0.484 114 P HA -0.001 4.419 4.420 -0.000 0.000 0.266 114 P C -0.971 176.346 177.300 0.028 0.000 1.215 114 P CA -0.125 62.992 63.100 0.028 0.000 0.763 114 P CB 0.551 32.270 31.700 0.032 0.000 0.806 115 V N 5.923 125.866 119.914 0.049 0.000 2.311 115 V HA 0.177 4.296 4.120 -0.001 0.000 0.275 115 V C 0.139 176.296 176.094 0.104 0.000 1.022 115 V CA -0.452 61.881 62.300 0.055 0.000 0.830 115 V CB 1.497 33.375 31.823 0.092 0.000 1.012 115 V HN 0.221 8.411 8.190 -0.000 0.000 0.452 116 V N 5.984 125.928 119.914 0.050 0.000 2.334 116 V HA 0.458 4.578 4.120 -0.001 0.000 0.281 116 V C -0.288 175.842 176.094 0.061 0.000 1.016 116 V CA -0.572 61.781 62.300 0.088 0.000 0.832 116 V CB 1.176 33.025 31.823 0.043 0.000 0.999 116 V HN 0.585 8.775 8.190 -0.000 0.000 0.439 117 F N 3.855 123.774 119.950 -0.051 0.000 2.412 117 F HA 0.563 5.089 4.527 -0.001 0.000 0.348 117 F C 0.345 176.106 175.800 -0.065 0.000 1.102 117 F CA -0.015 57.943 58.000 -0.071 0.000 1.196 117 F CB 1.574 40.495 39.000 -0.131 0.000 1.144 117 F HN 0.295 8.595 8.300 -0.000 0.000 0.541 118 V N 2.538 122.509 119.914 0.095 0.000 2.914 118 V HA 0.961 5.080 4.120 -0.001 0.000 0.314 118 V C -0.965 175.178 176.094 0.082 0.000 1.084 118 V CA -0.434 61.900 62.300 0.056 0.000 0.963 118 V CB 1.787 33.627 31.823 0.029 0.000 1.025 118 V HN 1.009 9.199 8.190 -0.000 0.000 0.432 119 A N 3.670 126.529 122.820 0.064 0.000 2.557 119 A HA 1.053 5.373 4.320 -0.001 0.000 0.292 119 A C -0.979 176.662 177.584 0.094 0.000 1.139 119 A CA -0.166 51.928 52.037 0.096 0.000 0.665 119 A CB 1.453 20.530 19.000 0.128 0.000 1.285 119 A HN 2.198 10.348 8.150 -0.000 0.000 0.433 120 A N -0.506 122.379 122.820 0.108 0.000 2.515 120 A HA 0.703 5.022 4.320 -0.001 0.000 0.296 120 A C -0.012 177.641 177.584 0.116 0.000 1.094 120 A CA -0.481 51.617 52.037 0.102 0.000 0.718 120 A CB 1.133 20.174 19.000 0.069 0.000 1.307 120 A HN 0.740 8.890 8.150 -0.000 0.000 0.408 121 M N -0.165 119.497 119.600 0.103 0.000 2.615 121 M HA 0.214 4.693 4.480 -0.001 0.000 0.262 121 M C 0.771 177.103 176.300 0.053 0.000 1.198 121 M CA 1.073 56.425 55.300 0.087 0.000 1.165 121 M CB -0.460 32.190 32.600 0.084 0.000 1.310 121 M HN 0.718 9.008 8.290 -0.000 0.000 0.494 122 R N 1.095 121.623 120.500 0.046 0.000 2.428 122 R HA 0.359 4.698 4.340 -0.001 0.000 0.294 122 R C -2.245 174.072 176.300 0.029 0.000 1.000 122 R CA -1.646 54.473 56.100 0.031 0.000 0.960 122 R CB 0.782 31.097 30.300 0.025 0.000 1.076 122 R HN 0.009 8.279 8.270 -0.000 0.000 0.475 123 P HA -0.004 4.416 4.420 -0.000 0.000 0.272 123 P C -0.171 177.139 177.300 0.017 0.000 1.240 123 P CA 0.014 63.125 63.100 0.018 0.000 0.791 123 P CB 0.731 32.439 31.700 0.012 0.000 0.978 124 A N 1.450 124.279 122.820 0.015 0.000 2.070 124 A HA -0.113 4.206 4.320 -0.001 0.000 0.220 124 A C 1.990 179.581 177.584 0.010 0.000 1.159 124 A CA 1.886 53.931 52.037 0.014 0.000 0.656 124 A CB -1.746 17.262 19.000 0.013 0.000 0.800 124 A HN 0.583 8.733 8.150 -0.000 0.000 0.453 125 T N 0.421 114.980 114.554 0.008 0.000 2.995 125 T HA 0.282 4.632 4.350 -0.001 0.000 0.269 125 T C 1.116 175.819 174.700 0.006 0.000 1.091 125 T CA 0.590 62.694 62.100 0.006 0.000 1.128 125 T CB -0.408 68.463 68.868 0.004 0.000 0.891 125 T HN 0.601 8.841 8.240 -0.000 0.000 0.492 126 A N 1.232 124.057 122.820 0.008 0.000 2.483 126 A HA 0.399 4.719 4.320 -0.001 0.000 0.238 126 A C 0.359 177.946 177.584 0.006 0.000 1.070 126 A CA -0.356 51.685 52.037 0.007 0.000 0.770 126 A CB -0.266 18.740 19.000 0.010 0.000 1.008 126 A HN 0.470 8.620 8.150 -0.000 0.000 0.497 127 I N 1.246 121.818 120.570 0.004 0.000 2.775 127 I HA -0.042 4.127 4.170 -0.001 0.000 0.290 127 I C 0.993 177.113 176.117 0.004 0.000 1.203 127 I CA 0.894 62.196 61.300 0.003 0.000 1.433 127 I CB 0.290 38.291 38.000 0.001 0.000 1.354 127 I HN 0.838 9.048 8.210 -0.000 0.000 0.579 128 S N 3.561 119.262 115.700 0.002 0.000 3.682 128 S HA -0.192 4.278 4.470 -0.001 0.000 0.354 128 S C 0.410 175.015 174.600 0.008 0.000 1.034 128 S CA 0.326 58.528 58.200 0.003 0.000 1.084 128 S CB -1.171 62.030 63.200 0.002 0.000 0.903 128 S HN 0.912 9.222 8.310 -0.000 0.000 0.470 129 A N 1.440 124.266 122.820 0.009 0.000 2.561 129 A HA 0.277 4.597 4.320 -0.001 0.000 0.234 129 A C 1.186 178.781 177.584 0.018 0.000 1.055 129 A CA 0.620 52.666 52.037 0.015 0.000 0.756 129 A CB 0.205 19.213 19.000 0.015 0.000 0.986 129 A HN 0.607 8.757 8.150 -0.000 0.000 0.505 130 D N 1.916 122.333 120.400 0.028 0.000 2.407 130 D HA 0.060 4.699 4.640 -0.001 0.000 0.208 130 D C 1.350 177.675 176.300 0.042 0.000 1.083 130 D CA 0.737 54.757 54.000 0.034 0.000 0.844 130 D CB -0.643 40.183 40.800 0.043 0.000 0.967 130 D HN 0.546 8.916 8.370 -0.000 0.000 0.506 131 G N 2.294 111.118 108.800 0.040 0.000 2.480 131 G HA2 -0.206 3.753 3.960 -0.001 0.000 0.216 131 G HA3 -0.206 3.753 3.960 -0.001 0.000 0.216 131 G C -0.522 174.406 174.900 0.047 0.000 1.200 131 G CA 0.865 45.991 45.100 0.044 0.000 0.782 131 G HN 0.303 8.593 8.290 -0.000 0.000 0.554 132 P HA -0.140 4.280 4.420 -0.000 0.000 0.216 132 P C 1.931 179.277 177.300 0.076 0.000 1.153 132 P CA 1.509 64.640 63.100 0.051 0.000 0.858 132 P CB -0.073 31.645 31.700 0.030 0.000 0.789 133 M N -1.043 118.590 119.600 0.054 0.000 2.248 133 M HA -0.006 4.473 4.480 -0.001 0.000 0.265 133 M C 1.549 177.913 176.300 0.107 0.000 1.079 133 M CA 1.651 56.989 55.300 0.063 0.000 1.150 133 M CB -1.123 31.482 32.600 0.008 0.000 1.366 133 M HN -0.267 8.023 8.290 -0.000 0.000 0.433 134 N N 0.691 119.436 118.700 0.075 0.000 2.061 134 N HA -0.187 4.552 4.740 -0.001 0.000 0.193 134 N C 1.699 177.254 175.510 0.075 0.000 1.030 134 N CA 1.744 54.836 53.050 0.068 0.000 0.856 134 N CB -0.874 37.647 38.487 0.057 0.000 1.023 134 N HN 0.349 8.729 8.380 -0.000 0.000 0.424 135 L N 0.403 121.672 121.223 0.076 0.000 1.989 135 L HA -0.183 4.156 4.340 -0.001 0.000 0.211 135 L C 2.195 179.107 176.870 0.069 0.000 1.071 135 L CA 1.575 56.450 54.840 0.059 0.000 0.749 135 L CB -1.188 40.903 42.059 0.053 0.000 0.890 135 L HN 0.212 8.442 8.230 -0.000 0.000 0.431 136 Y N 0.097 120.396 120.300 -0.001 0.000 2.069 136 Y HA -0.287 4.262 4.550 -0.001 0.000 0.278 136 Y C 2.262 178.159 175.900 -0.004 0.000 1.175 136 Y CA 2.376 60.474 58.100 -0.003 0.000 1.134 136 Y CB -0.869 37.589 38.460 -0.003 0.000 0.965 136 Y HN 0.248 8.528 8.280 -0.000 0.000 0.498 137 G N -0.587 108.332 108.800 0.199 0.000 2.418 137 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.217 137 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.217 137 G C 1.792 176.688 174.900 -0.008 0.000 1.158 137 G CA 0.986 46.148 45.100 0.103 0.000 0.771 137 G HN 0.656 8.946 8.290 -0.000 0.000 0.545 138 A N 0.240 123.060 122.820 -0.001 0.000 1.883 138 A HA 0.006 4.325 4.320 -0.001 0.000 0.217 138 A C 2.615 180.170 177.584 -0.048 0.000 1.186 138 A CA 2.007 54.037 52.037 -0.011 0.000 0.624 138 A CB -0.765 18.234 19.000 -0.001 0.000 0.822 138 A HN 0.276 8.426 8.150 -0.000 0.000 0.444 139 V N 0.124 119.983 119.914 -0.093 0.000 2.343 139 V HA -0.270 3.849 4.120 -0.001 0.000 0.247 139 V C 2.522 178.517 176.094 -0.164 0.000 1.051 139 V CA 2.368 64.589 62.300 -0.131 0.000 1.036 139 V CB -0.671 31.052 31.823 -0.167 0.000 0.654 139 V HN 0.665 8.855 8.190 -0.000 0.000 0.451 140 K N -0.124 120.134 120.400 -0.237 0.000 2.032 140 K HA -0.183 4.136 4.320 -0.001 0.000 0.209 140 K C 2.061 178.613 176.600 -0.079 0.000 1.048 140 K CA 1.788 57.958 56.287 -0.196 0.000 0.927 140 K CB -0.207 32.177 32.500 -0.193 0.000 0.712 140 K HN 0.336 8.586 8.250 -0.000 0.000 0.441 141 V N 0.929 120.819 119.914 -0.041 0.000 2.307 141 V HA -0.217 3.903 4.120 -0.001 0.000 0.245 141 V C 2.365 178.480 176.094 0.035 0.000 1.045 141 V CA 1.956 64.269 62.300 0.022 0.000 1.024 141 V CB -0.588 31.265 31.823 0.049 0.000 0.651 141 V HN 0.484 8.674 8.190 -0.000 0.000 0.449 142 A N -0.069 122.753 122.820 0.003 0.000 1.972 142 A HA -0.067 4.252 4.320 -0.001 0.000 0.219 142 A C 2.304 179.882 177.584 -0.010 0.000 1.169 142 A CA 1.893 53.930 52.037 0.000 0.000 0.635 142 A CB -0.615 18.374 19.000 -0.019 0.000 0.810 142 A HN 0.578 8.728 8.150 -0.000 0.000 0.446 143 A N -0.800 122.001 122.820 -0.031 0.000 2.119 143 A HA 0.078 4.397 4.320 -0.001 0.000 0.216 143 A C 0.902 178.477 177.584 -0.017 0.000 1.152 143 A CA 0.805 52.821 52.037 -0.035 0.000 0.708 143 A CB -0.257 18.704 19.000 -0.064 0.000 0.805 143 A HN 0.437 8.587 8.150 -0.000 0.000 0.460 144 D N -0.536 119.865 120.400 0.003 0.000 2.256 144 D HA 0.297 4.937 4.640 -0.001 0.000 0.250 144 D C 0.718 177.038 176.300 0.033 0.000 1.093 144 D CA -0.057 53.958 54.000 0.024 0.000 0.882 144 D CB 1.154 41.985 40.800 0.052 0.000 1.185 144 D HN 0.079 8.449 8.370 -0.000 0.000 0.437 145 K N 1.690 122.103 120.400 0.022 0.000 2.365 145 K HA 0.053 4.373 4.320 -0.001 0.000 0.197 145 K C 1.229 177.837 176.600 0.014 0.000 1.042 145 K CA 0.376 56.671 56.287 0.014 0.000 0.987 145 K CB 0.125 32.627 32.500 0.005 0.000 0.779 145 K HN 0.436 8.686 8.250 -0.000 0.000 0.484 146 N N -0.110 118.612 118.700 0.037 0.000 2.520 146 N HA -0.068 4.671 4.740 -0.001 0.000 0.185 146 N C 0.820 176.302 175.510 -0.048 0.000 1.068 146 N CA 0.444 53.510 53.050 0.026 0.000 0.911 146 N CB 0.205 38.752 38.487 0.100 0.000 0.961 146 N HN -0.010 8.370 8.380 -0.000 0.000 0.446 147 S N 0.115 115.828 115.700 0.023 0.000 2.562 147 S HA 0.083 4.553 4.470 -0.001 0.000 0.221 147 S C 0.709 175.256 174.600 -0.088 0.000 0.975 147 S CA 0.166 58.348 58.200 -0.030 0.000 0.918 147 S CB 0.204 63.495 63.200 0.151 0.000 0.772 147 S HN 0.253 8.563 8.310 -0.000 0.000 0.531 148 R N 0.582 121.046 120.500 -0.060 0.000 2.738 148 R HA 0.260 4.599 4.340 -0.001 0.000 0.268 148 R C 1.312 177.590 176.300 -0.037 0.000 1.062 148 R CA 0.634 56.715 56.100 -0.033 0.000 1.158 148 R CB -0.096 30.195 30.300 -0.016 0.000 1.046 148 R HN 0.319 8.589 8.270 -0.000 0.000 0.493 149 G N 1.536 110.345 108.800 0.015 0.000 2.337 149 G HA2 -0.348 3.611 3.960 -0.001 0.000 0.290 149 G HA3 -0.348 3.611 3.960 -0.001 0.000 0.290 149 G C 0.656 175.613 174.900 0.096 0.000 1.003 149 G CA 0.806 45.957 45.100 0.085 0.000 0.825 149 G HN 0.652 8.942 8.290 -0.000 0.000 0.509 150 R N -0.287 120.183 120.500 -0.050 0.000 2.362 150 R HA 0.426 4.765 4.340 -0.001 0.000 0.227 150 R C 1.611 177.694 176.300 -0.363 0.000 0.905 150 R CA 0.514 56.506 56.100 -0.180 0.000 1.067 150 R CB 0.318 30.488 30.300 -0.216 0.000 1.078 150 R HN 1.294 9.564 8.270 -0.000 0.000 0.516 151 G N 0.671 109.267 108.800 -0.339 0.000 2.660 151 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.215 151 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.215 151 G C -0.537 174.309 174.900 -0.090 0.000 1.345 151 G CA -0.726 44.176 45.100 -0.330 0.000 0.877 151 G HN -0.000 8.290 8.290 -0.000 0.000 0.549 152 V N 0.895 120.784 119.914 -0.042 0.000 2.546 152 V HA 0.582 4.701 4.120 -0.001 0.000 0.284 152 V C 0.905 177.016 176.094 0.028 0.000 1.050 152 V CA -0.107 62.215 62.300 0.036 0.000 0.981 152 V CB 0.993 32.858 31.823 0.070 0.000 0.990 152 V HN 0.663 8.853 8.190 -0.000 0.000 0.474 153 L N 4.944 126.219 121.223 0.086 0.000 2.334 153 L HA 0.728 5.068 4.340 -0.001 0.000 0.273 153 L C -0.789 176.137 176.870 0.093 0.000 1.013 153 L CA -0.882 54.010 54.840 0.087 0.000 0.816 153 L CB 2.109 44.236 42.059 0.112 0.000 1.278 153 L HN 0.308 8.538 8.230 -0.000 0.000 0.431 154 V N 2.664 122.606 119.914 0.046 0.000 2.443 154 V HA 0.395 4.515 4.120 -0.001 0.000 0.293 154 V C -0.332 175.756 176.094 -0.011 0.000 1.021 154 V CA -0.610 61.681 62.300 -0.015 0.000 0.848 154 V CB 2.000 33.731 31.823 -0.152 0.000 0.998 154 V HN 0.423 8.613 8.190 -0.000 0.000 0.424 155 V N 6.933 126.842 119.914 -0.008 0.000 2.384 155 V HA 0.681 4.800 4.120 -0.001 0.000 0.287 155 V C -0.470 175.610 176.094 -0.022 0.000 1.020 155 V CA -0.324 61.973 62.300 -0.005 0.000 0.850 155 V CB 1.422 33.255 31.823 0.017 0.000 0.987 155 V HN 0.684 8.874 8.190 -0.000 0.000 0.436 156 L N 3.567 124.783 121.223 -0.012 0.000 2.556 156 L HA 0.526 4.865 4.340 -0.001 0.000 0.257 156 L C 0.139 177.028 176.870 0.033 0.000 0.955 156 L CA -0.492 54.368 54.840 0.033 0.000 0.850 156 L CB 1.868 43.981 42.059 0.090 0.000 1.398 156 L HN 0.612 8.842 8.230 -0.000 0.000 0.412 157 N N 1.852 120.575 118.700 0.038 0.000 2.740 157 N HA -0.228 4.511 4.740 -0.001 0.000 0.248 157 N C -0.001 175.483 175.510 -0.044 0.000 1.062 157 N CA 1.299 54.357 53.050 0.014 0.000 0.704 157 N CB -0.680 37.834 38.487 0.045 0.000 0.968 157 N HN 0.817 9.197 8.380 -0.000 0.000 0.547 158 D N -3.308 117.067 120.400 -0.041 0.000 2.911 158 D HA -0.202 4.438 4.640 -0.001 0.000 0.199 158 D C -0.387 175.831 176.300 -0.138 0.000 1.041 158 D CA 1.293 55.253 54.000 -0.066 0.000 1.013 158 D CB -0.501 40.260 40.800 -0.065 0.000 1.093 158 D HN 0.522 8.892 8.370 -0.000 0.000 0.431 159 R N 0.260 120.638 120.500 -0.204 0.000 2.598 159 R HA 0.704 5.044 4.340 -0.001 0.000 0.279 159 R C 0.466 176.674 176.300 -0.154 0.000 0.984 159 R CA -0.611 55.267 56.100 -0.370 0.000 0.999 159 R CB 0.772 30.571 30.300 -0.835 0.000 1.114 159 R HN 0.117 8.387 8.270 -0.000 0.000 0.493 160 I N 0.951 121.478 120.570 -0.073 0.000 2.437 160 I HA 0.345 4.514 4.170 -0.001 0.000 0.279 160 I C 0.583 176.835 176.117 0.225 0.000 1.028 160 I CA -0.530 60.812 61.300 0.071 0.000 1.142 160 I CB 1.955 39.989 38.000 0.057 0.000 1.266 160 I HN 0.546 8.756 8.210 -0.000 0.000 0.461 161 G N 3.055 111.997 108.800 0.236 0.000 2.410 161 G HA2 0.444 4.403 3.960 -0.001 0.000 0.330 161 G HA3 0.444 4.403 3.960 -0.001 0.000 0.330 161 G C -0.522 174.476 174.900 0.163 0.000 1.142 161 G CA -0.434 44.837 45.100 0.285 0.000 0.902 161 G HN 0.470 8.760 8.290 -0.000 0.000 0.491 162 S N 0.052 115.847 115.700 0.157 0.000 2.564 162 S HA 0.383 4.852 4.470 -0.001 0.000 0.278 162 S C 1.696 176.294 174.600 -0.004 0.000 1.333 162 S CA 0.226 58.461 58.200 0.057 0.000 1.048 162 S CB 1.018 64.246 63.200 0.047 0.000 0.900 162 S HN 1.145 9.455 8.310 -0.000 0.000 0.505 163 A N 4.254 127.046 122.820 -0.047 0.000 2.125 163 A HA -0.032 4.287 4.320 -0.001 0.000 0.219 163 A C 2.042 179.593 177.584 -0.055 0.000 1.156 163 A CA 1.526 53.533 52.037 -0.049 0.000 0.671 163 A CB -0.479 18.500 19.000 -0.036 0.000 0.794 163 A HN 0.845 8.995 8.150 -0.000 0.000 0.459 164 R N -1.530 118.842 120.500 -0.213 0.000 2.200 164 R HA 0.185 4.524 4.340 -0.001 0.000 0.208 164 R C 0.852 176.755 176.300 -0.661 0.000 1.033 164 R CA 1.401 57.178 56.100 -0.539 0.000 1.000 164 R CB -0.419 29.462 30.300 -0.698 0.000 0.906 164 R HN 0.525 8.795 8.270 -0.000 0.000 0.462 165 F N -1.508 118.406 119.950 -0.060 0.000 2.640 165 F HA 0.349 4.875 4.527 -0.001 0.000 0.285 165 F C 0.570 176.352 175.800 -0.029 0.000 1.031 165 F CA -0.967 56.999 58.000 -0.057 0.000 1.240 165 F CB 0.182 39.155 39.000 -0.044 0.000 1.011 165 F HN -0.204 8.096 8.300 -0.000 0.000 0.656 166 I N 1.852 122.527 120.570 0.174 0.000 2.845 166 I HA 0.004 4.173 4.170 -0.001 0.000 0.296 166 I C 0.350 176.590 176.117 0.206 0.000 1.216 166 I CA 0.944 62.353 61.300 0.181 0.000 1.438 166 I CB 0.349 38.446 38.000 0.161 0.000 1.342 166 I HN 0.034 8.244 8.210 -0.000 0.000 0.577 167 S N 6.225 122.113 115.700 0.313 0.000 2.535 167 S HA 0.262 4.732 4.470 -0.001 0.000 0.272 167 S C -0.601 174.078 174.600 0.131 0.000 1.149 167 S CA -0.914 57.426 58.200 0.233 0.000 0.888 167 S CB 1.078 64.337 63.200 0.097 0.000 1.110 167 S HN 0.588 8.898 8.310 -0.000 0.000 0.463 168 K N 2.500 122.861 120.400 -0.065 0.000 2.363 168 K HA 0.194 4.514 4.320 -0.001 0.000 0.289 168 K C 1.235 177.679 176.600 -0.260 0.000 1.063 168 K CA 0.501 56.450 56.287 -0.562 0.000 0.967 168 K CB 0.198 32.442 32.500 -0.427 0.000 0.987 168 K HN 0.713 8.963 8.250 -0.000 0.000 0.473 169 T N 0.528 114.934 114.554 -0.247 0.000 3.040 169 T HA 0.067 4.416 4.350 -0.001 0.000 0.250 169 T C 0.345 174.981 174.700 -0.106 0.000 1.058 169 T CA -0.278 61.750 62.100 -0.121 0.000 0.988 169 T CB 0.084 68.910 68.868 -0.070 0.000 0.993 169 T HN 0.452 8.692 8.240 -0.000 0.000 0.519 170 N N -0.072 118.541 118.700 -0.144 0.000 2.225 170 N HA 0.529 5.269 4.740 -0.001 0.000 0.298 170 N C 0.848 176.292 175.510 -0.110 0.000 1.076 170 N CA 0.055 53.045 53.050 -0.101 0.000 0.792 170 N CB 2.186 40.624 38.487 -0.081 0.000 1.498 170 N HN 0.079 8.459 8.380 -0.000 0.000 0.474 171 A N 1.864 124.640 122.820 -0.073 0.000 2.067 171 A HA 0.001 4.320 4.320 -0.001 0.000 0.219 171 A C 1.114 178.666 177.584 -0.053 0.000 1.158 171 A CA 1.609 53.608 52.037 -0.062 0.000 0.661 171 A CB 0.029 19.002 19.000 -0.045 0.000 0.801 171 A HN 0.636 8.786 8.150 -0.000 0.000 0.452 172 S N -2.141 113.529 115.700 -0.049 0.000 2.661 172 S HA 0.086 4.555 4.470 -0.001 0.000 0.275 172 S C 0.585 175.173 174.600 -0.020 0.000 1.075 172 S CA 0.249 58.432 58.200 -0.028 0.000 1.251 172 S CB 0.274 63.461 63.200 -0.020 0.000 1.167 172 S HN 0.708 9.018 8.310 -0.000 0.000 0.648 173 T N 0.670 115.206 114.554 -0.030 0.000 2.899 173 T HA 0.562 4.912 4.350 -0.001 0.000 0.284 173 T C 1.300 176.002 174.700 0.002 0.000 1.004 173 T CA -0.667 61.425 62.100 -0.013 0.000 1.043 173 T CB 0.700 69.559 68.868 -0.015 0.000 1.013 173 T HN 0.014 8.254 8.240 -0.000 0.000 0.518 174 L N 0.726 121.963 121.223 0.023 0.000 2.127 174 L HA -0.058 4.281 4.340 -0.001 0.000 0.211 174 L C 2.015 178.930 176.870 0.076 0.000 1.089 174 L CA 1.556 56.427 54.840 0.051 0.000 0.757 174 L CB -0.432 41.652 42.059 0.042 0.000 0.899 174 L HN 0.834 9.064 8.230 -0.000 0.000 0.434 175 D N -1.890 118.542 120.400 0.053 0.000 2.395 175 D HA -0.024 4.616 4.640 -0.001 0.000 0.226 175 D C 1.260 177.593 176.300 0.054 0.000 1.146 175 D CA 0.292 54.339 54.000 0.078 0.000 0.830 175 D CB -0.037 40.800 40.800 0.062 0.000 0.958 175 D HN 0.184 8.554 8.370 -0.000 0.000 0.501 176 T N 0.127 114.657 114.554 -0.039 0.000 2.714 176 T HA -0.203 4.147 4.350 -0.001 0.000 0.268 176 T C 0.672 175.209 174.700 -0.271 0.000 1.036 176 T CA 0.827 62.791 62.100 -0.227 0.000 1.148 176 T CB -0.569 67.994 68.868 -0.509 0.000 0.856 176 T HN 0.218 8.458 8.240 -0.000 0.000 0.462 177 F N 2.756 122.772 119.950 0.110 0.000 2.439 177 F HA 0.394 4.920 4.527 -0.001 0.000 0.356 177 F C 0.798 176.736 175.800 0.231 0.000 1.161 177 F CA -0.420 57.668 58.000 0.147 0.000 1.151 177 F CB 0.185 39.274 39.000 0.150 0.000 1.222 177 F HN -0.070 8.230 8.300 -0.000 0.000 0.558 178 K N 1.942 122.480 120.400 0.230 0.000 2.466 178 K HA 0.920 5.240 4.320 -0.001 0.000 0.260 178 K C -1.232 175.345 176.600 -0.038 0.000 1.011 178 K CA -1.455 54.868 56.287 0.059 0.000 0.871 178 K CB 2.333 34.852 32.500 0.032 0.000 1.404 178 K HN 0.332 8.582 8.250 -0.000 0.000 0.450 179 A N 1.650 124.351 122.820 -0.198 0.000 2.876 179 A HA 0.366 4.685 4.320 -0.001 0.000 0.309 179 A C -2.459 175.011 177.584 -0.189 0.000 1.168 179 A CA -1.207 50.748 52.037 -0.136 0.000 0.762 179 A CB 0.570 19.517 19.000 -0.088 0.000 1.262 179 A HN 0.404 8.554 8.150 -0.000 0.000 0.435 180 P HA -0.206 4.214 4.420 -0.000 0.000 0.216 180 P C 1.118 178.339 177.300 -0.131 0.000 1.154 180 P CA 1.498 64.531 63.100 -0.111 0.000 0.865 180 P CB 0.422 32.079 31.700 -0.072 0.000 0.789 181 E N -1.062 119.046 120.200 -0.153 0.000 2.385 181 E HA -0.046 4.303 4.350 -0.001 0.000 0.194 181 E C 0.972 177.418 176.600 -0.257 0.000 1.013 181 E CA 0.794 57.089 56.400 -0.175 0.000 0.866 181 E CB 0.051 29.655 29.700 -0.161 0.000 0.832 181 E HN 0.408 8.768 8.360 -0.000 0.000 0.500 182 E N -0.688 119.318 120.200 -0.324 0.000 2.641 182 E HA 0.256 4.605 4.350 -0.001 0.000 0.224 182 E C 0.758 177.203 176.600 -0.259 0.000 0.951 182 E CA 0.374 56.521 56.400 -0.421 0.000 1.102 182 E CB 1.077 30.226 29.700 -0.918 0.000 1.091 182 E HN 0.177 8.537 8.360 -0.000 0.000 0.507 183 G N 0.786 109.428 108.800 -0.262 0.000 2.578 183 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.284 183 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.284 183 G C -0.580 174.090 174.900 -0.383 0.000 1.283 183 G CA 0.106 45.025 45.100 -0.302 0.000 0.944 183 G HN 0.207 8.497 8.290 -0.000 0.000 0.558 184 Y N -0.862 119.477 120.300 0.065 0.000 2.509 184 Y HA 0.595 5.144 4.550 -0.002 0.000 0.341 184 Y C 1.618 177.590 175.900 0.119 0.000 1.038 184 Y CA -0.952 57.206 58.100 0.096 0.000 1.089 184 Y CB 1.601 40.107 38.460 0.077 0.000 1.241 184 Y HN 0.362 8.642 8.280 -0.000 0.000 0.468 185 L N 1.079 122.497 121.223 0.326 0.000 2.056 185 L HA 0.037 4.377 4.340 -0.001 0.000 0.207 185 L C 1.098 178.183 176.870 0.358 0.000 1.078 185 L CA 1.433 56.462 54.840 0.315 0.000 0.749 185 L CB -0.379 41.875 42.059 0.324 0.000 0.901 185 L HN 0.850 9.080 8.230 -0.000 0.000 0.433 186 G N -1.873 107.075 108.800 0.247 0.000 2.749 186 G HA2 0.570 4.530 3.960 -0.001 0.000 0.300 186 G HA3 0.570 4.530 3.960 -0.001 0.000 0.300 186 G C -1.863 173.018 174.900 -0.033 0.000 1.352 186 G CA -0.292 44.820 45.100 0.020 0.000 0.789 186 G HN -0.236 8.054 8.290 -0.000 0.000 0.509 187 V N -0.429 119.423 119.914 -0.103 0.000 3.098 187 V HA 0.482 4.601 4.120 -0.001 0.000 0.294 187 V C -1.383 174.699 176.094 -0.020 0.000 1.351 187 V CA -0.520 61.729 62.300 -0.084 0.000 0.999 187 V CB 2.240 34.021 31.823 -0.070 0.000 1.104 187 V HN 0.680 8.870 8.190 -0.000 0.000 0.438 188 I N 5.512 126.073 120.570 -0.014 0.000 2.448 188 I HA 0.531 4.700 4.170 -0.001 0.000 0.281 188 I C -1.094 175.063 176.117 0.067 0.000 1.027 188 I CA -0.287 61.044 61.300 0.050 0.000 1.111 188 I CB 1.415 39.431 38.000 0.026 0.000 1.236 188 I HN 0.222 8.432 8.210 -0.000 0.000 0.452 189 I N 4.798 125.461 120.570 0.155 0.000 2.466 189 I HA 0.401 4.570 4.170 -0.001 0.000 0.289 189 I C 0.933 177.142 176.117 0.154 0.000 1.026 189 I CA -0.755 60.601 61.300 0.093 0.000 1.078 189 I CB 1.185 39.163 38.000 -0.038 0.000 1.249 189 I HN 0.804 9.014 8.210 -0.000 0.000 0.429 190 G N 4.973 113.818 108.800 0.074 0.000 2.338 190 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.296 190 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.296 190 G C 0.481 175.425 174.900 0.073 0.000 1.040 190 G CA 0.775 45.913 45.100 0.063 0.000 1.004 190 G HN 0.940 9.230 8.290 -0.000 0.000 0.509 191 D N -1.611 118.832 120.400 0.071 0.000 2.737 191 D HA -0.189 4.450 4.640 -0.001 0.000 0.233 191 D C 0.421 176.762 176.300 0.069 0.000 1.155 191 D CA 2.211 56.270 54.000 0.097 0.000 0.667 191 D CB -0.461 40.392 40.800 0.088 0.000 1.060 191 D HN 0.976 9.346 8.370 -0.000 0.000 0.427 192 K N 0.327 120.768 120.400 0.069 0.000 2.427 192 K HA 0.552 4.871 4.320 -0.001 0.000 0.252 192 K C -0.685 175.853 176.600 -0.104 0.000 0.931 192 K CA -0.910 55.338 56.287 -0.066 0.000 0.793 192 K CB 1.051 33.466 32.500 -0.142 0.000 1.211 192 K HN 0.075 8.325 8.250 -0.000 0.000 0.426 193 I N 4.218 124.647 120.570 -0.234 0.000 2.365 193 I HA 0.219 4.388 4.170 -0.001 0.000 0.291 193 I C -1.040 174.850 176.117 -0.378 0.000 1.004 193 I CA -0.673 60.492 61.300 -0.224 0.000 1.311 193 I CB 0.667 38.537 38.000 -0.216 0.000 1.401 193 I HN 0.525 8.735 8.210 -0.000 0.000 0.491 194 Y N 5.955 126.132 120.300 -0.205 0.000 2.447 194 Y HA 0.389 4.939 4.550 -0.000 0.000 0.325 194 Y C -0.548 175.254 175.900 -0.164 0.000 0.976 194 Y CA -0.783 57.245 58.100 -0.120 0.000 1.280 194 Y CB 0.442 38.870 38.460 -0.054 0.000 1.104 194 Y HN 0.359 8.639 8.280 -0.000 0.000 0.486 195 Y N 2.138 122.520 120.300 0.135 0.000 2.304 195 Y HA 0.198 4.747 4.550 -0.001 0.000 0.327 195 Y C 1.175 177.143 175.900 0.113 0.000 1.209 195 Y CA 0.359 58.524 58.100 0.108 0.000 1.299 195 Y CB 1.224 39.724 38.460 0.068 0.000 1.249 195 Y HN 0.644 8.924 8.280 -0.000 0.000 0.519 196 Q N 0.226 120.205 119.800 0.298 0.000 2.506 196 Q HA 0.157 4.496 4.340 -0.001 0.000 0.239 196 Q C -0.358 175.736 176.000 0.156 0.000 0.782 196 Q CA 0.255 56.172 55.803 0.190 0.000 0.972 196 Q CB 1.315 30.148 28.738 0.157 0.000 1.304 196 Q HN 0.551 8.821 8.270 -0.000 0.000 0.534 197 T N 1.051 115.711 114.554 0.177 0.000 2.863 197 T HA 0.523 4.873 4.350 -0.001 0.000 0.285 197 T C -1.061 173.715 174.700 0.125 0.000 1.009 197 T CA -0.468 61.712 62.100 0.134 0.000 0.989 197 T CB 1.719 70.664 68.868 0.128 0.000 1.004 197 T HN -0.020 8.220 8.240 -0.000 0.000 0.455 198 R N 1.921 122.478 120.500 0.094 0.000 2.637 198 R HA 0.458 4.797 4.340 -0.001 0.000 0.291 198 R C -0.606 175.760 176.300 0.109 0.000 0.963 198 R CA -0.918 55.227 56.100 0.074 0.000 0.901 198 R CB 1.603 31.933 30.300 0.050 0.000 1.160 198 R HN 0.466 8.736 8.270 -0.000 0.000 0.457 199 L N 2.874 124.154 121.223 0.094 0.000 2.500 199 L HA 0.004 4.343 4.340 -0.001 0.000 0.272 199 L C 0.022 176.984 176.870 0.154 0.000 1.149 199 L CA 0.552 55.472 54.840 0.135 0.000 0.897 199 L CB 0.501 42.547 42.059 -0.021 0.000 1.178 199 L HN 0.656 8.886 8.230 -0.000 0.000 0.473 200 D N 3.973 124.483 120.400 0.184 0.000 2.706 200 D HA 0.135 4.774 4.640 -0.001 0.000 0.236 200 D C -0.248 176.127 176.300 0.126 0.000 1.231 200 D CA 0.116 54.200 54.000 0.139 0.000 0.828 200 D CB 0.239 41.109 40.800 0.117 0.000 1.015 200 D HN 0.261 8.631 8.370 -0.000 0.000 0.484 201 K N -0.770 119.706 120.400 0.126 0.000 2.395 201 K HA 0.415 4.734 4.320 -0.001 0.000 0.245 201 K C -0.526 176.081 176.600 0.012 0.000 1.017 201 K CA -1.071 55.252 56.287 0.060 0.000 0.852 201 K CB 1.488 34.026 32.500 0.062 0.000 1.311 201 K HN -0.239 8.011 8.250 -0.000 0.000 0.452 202 V N 3.377 123.165 119.914 -0.211 0.000 2.572 202 V HA 0.132 4.251 4.120 -0.001 0.000 0.291 202 V C 0.294 176.265 176.094 -0.205 0.000 1.039 202 V CA 0.286 62.343 62.300 -0.406 0.000 1.055 202 V CB -0.058 31.226 31.823 -0.898 0.000 0.969 202 V HN 0.804 8.994 8.190 -0.000 0.000 0.482 203 H N 1.710 120.707 119.070 -0.123 0.000 3.017 203 H HA 0.393 4.949 4.556 -0.001 0.000 0.346 203 H C 0.515 175.836 175.328 -0.013 0.000 1.286 203 H CA -0.113 55.918 56.048 -0.029 0.000 1.120 203 H CB 1.254 30.998 29.762 -0.030 0.000 1.860 203 H HN 0.720 9.000 8.280 -0.000 0.000 0.542 204 T N -0.403 114.239 114.554 0.148 0.000 13.082 204 T HA -0.435 3.915 4.350 -0.001 0.000 0.408 204 T C 1.727 176.430 174.700 0.004 0.000 1.453 204 T CA 3.890 66.042 62.100 0.087 0.000 2.302 204 T CB -2.594 66.368 68.868 0.157 0.000 2.735 204 T HN 1.122 9.362 8.240 -0.000 0.000 0.568 205 T N -0.105 114.432 114.554 -0.029 0.000 3.098 205 T HA 0.109 4.458 4.350 -0.001 0.000 0.266 205 T C 1.793 176.442 174.700 -0.086 0.000 1.145 205 T CA 1.304 63.374 62.100 -0.051 0.000 1.092 205 T CB -0.329 68.512 68.868 -0.045 0.000 0.908 205 T HN 0.754 8.994 8.240 -0.000 0.000 0.526 206 R N 0.455 120.872 120.500 -0.138 0.000 2.365 206 R HA 0.315 4.654 4.340 -0.001 0.000 0.223 206 R C 0.858 177.104 176.300 -0.090 0.000 0.899 206 R CA -0.113 55.899 56.100 -0.145 0.000 1.059 206 R CB 0.474 30.634 30.300 -0.233 0.000 1.086 206 R HN 0.304 8.574 8.270 -0.000 0.000 0.522 207 S N 0.690 116.384 115.700 -0.010 0.000 2.564 207 S HA 0.075 4.544 4.470 -0.001 0.000 0.278 207 S C 1.267 175.865 174.600 -0.004 0.000 1.333 207 S CA -0.580 57.712 58.200 0.155 0.000 1.048 207 S CB 1.355 64.718 63.200 0.271 0.000 0.900 207 S HN 0.141 8.451 8.310 -0.000 0.000 0.505 208 V N 2.611 122.428 119.914 -0.162 0.000 3.649 208 V HA 0.446 4.565 4.120 -0.001 0.000 0.275 208 V C -0.066 175.702 176.094 -0.544 0.000 1.281 208 V CA -0.147 61.935 62.300 -0.363 0.000 1.143 208 V CB -1.389 30.201 31.823 -0.389 0.000 0.892 208 V HN 0.640 8.830 8.190 -0.000 0.000 0.441 209 F N 1.616 121.440 119.950 -0.209 0.000 2.410 209 F HA 0.698 5.225 4.527 -0.001 0.000 0.348 209 F C 0.244 175.929 175.800 -0.191 0.000 1.106 209 F CA -0.403 57.433 58.000 -0.274 0.000 1.163 209 F CB 1.111 39.849 39.000 -0.437 0.000 1.129 209 F HN 0.018 8.318 8.300 -0.000 0.000 0.516 210 D N 2.044 122.449 120.400 0.008 0.000 2.736 210 D HA 0.300 4.939 4.640 -0.001 0.000 0.243 210 D C -0.251 176.046 176.300 -0.005 0.000 1.304 210 D CA -0.368 53.624 54.000 -0.013 0.000 0.934 210 D CB 1.902 42.688 40.800 -0.023 0.000 1.382 210 D HN 0.303 8.673 8.370 -0.000 0.000 0.571 211 V N 1.317 121.229 119.914 -0.004 0.000 3.176 211 V HA 0.240 4.359 4.120 -0.001 0.000 0.332 211 V C 1.339 177.456 176.094 0.038 0.000 1.414 211 V CA 0.107 62.421 62.300 0.022 0.000 1.133 211 V CB 0.073 31.921 31.823 0.042 0.000 1.088 211 V HN 0.451 8.641 8.190 -0.000 0.000 0.473 212 T N 1.791 116.359 114.554 0.024 0.000 2.778 212 T HA -0.156 4.193 4.350 -0.001 0.000 0.269 212 T C 1.214 175.928 174.700 0.023 0.000 1.050 212 T CA 2.647 64.762 62.100 0.024 0.000 1.137 212 T CB -0.414 68.462 68.868 0.013 0.000 0.860 212 T HN 0.755 8.995 8.240 -0.000 0.000 0.468 213 N N 0.067 118.779 118.700 0.020 0.000 2.291 213 N HA 0.261 5.000 4.740 -0.001 0.000 0.244 213 N C -1.112 174.412 175.510 0.023 0.000 1.216 213 N CA -0.207 52.854 53.050 0.019 0.000 0.879 213 N CB 1.207 39.702 38.487 0.013 0.000 1.167 213 N HN 0.083 8.463 8.380 -0.000 0.000 0.515 214 V N 0.908 120.841 119.914 0.031 0.000 2.439 214 V HA 0.146 4.265 4.120 -0.001 0.000 0.282 214 V C 0.340 176.458 176.094 0.040 0.000 1.039 214 V CA -0.194 62.128 62.300 0.036 0.000 0.913 214 V CB 1.718 33.567 31.823 0.044 0.000 0.983 214 V HN 0.183 8.373 8.190 -0.000 0.000 0.460 215 D N 2.616 123.037 120.400 0.034 0.000 2.369 215 D HA 0.117 4.756 4.640 -0.001 0.000 0.231 215 D C 0.694 177.014 176.300 0.034 0.000 0.967 215 D CA 0.803 54.821 54.000 0.031 0.000 0.905 215 D CB 0.659 41.474 40.800 0.024 0.000 1.044 215 D HN 0.429 8.799 8.370 -0.000 0.000 0.487 216 K N 0.632 121.053 120.400 0.035 0.000 2.397 216 K HA 0.424 4.743 4.320 -0.001 0.000 0.253 216 K C -0.933 175.694 176.600 0.045 0.000 0.932 216 K CA -0.472 55.837 56.287 0.037 0.000 0.795 216 K CB 1.768 34.287 32.500 0.031 0.000 1.159 216 K HN -0.140 8.110 8.250 -0.000 0.000 0.424 217 L N 4.593 125.848 121.223 0.054 0.000 2.421 217 L HA 0.487 4.826 4.340 -0.001 0.000 0.263 217 L C -1.876 175.025 176.870 0.052 0.000 1.122 217 L CA -2.023 52.854 54.840 0.062 0.000 0.804 217 L CB 0.859 42.974 42.059 0.093 0.000 1.150 217 L HN 0.607 8.837 8.230 -0.000 0.000 0.457 218 P HA 0.235 4.655 4.420 -0.000 0.000 0.276 218 P C -1.109 176.221 177.300 0.050 0.000 1.244 218 P CA -0.582 62.547 63.100 0.048 0.000 0.801 218 P CB 0.748 32.477 31.700 0.048 0.000 1.006 219 A N 1.593 124.443 122.820 0.050 0.000 2.450 219 A HA 0.481 4.800 4.320 -0.001 0.000 0.255 219 A C -0.357 177.257 177.584 0.052 0.000 1.096 219 A CA -0.082 51.983 52.037 0.048 0.000 0.778 219 A CB -0.220 18.810 19.000 0.049 0.000 1.031 219 A HN 0.354 8.504 8.150 -0.000 0.000 0.494 220 V N 3.675 123.619 119.914 0.050 0.000 2.569 220 V HA 0.321 4.440 4.120 -0.001 0.000 0.301 220 V C -1.143 174.979 176.094 0.046 0.000 1.044 220 V CA -0.896 61.438 62.300 0.055 0.000 0.874 220 V CB 1.890 33.754 31.823 0.069 0.000 1.002 220 V HN 0.899 9.089 8.190 -0.000 0.000 0.424 221 D N 3.459 123.881 120.400 0.037 0.000 2.163 221 D HA 0.635 5.274 4.640 -0.001 0.000 0.248 221 D C -0.350 175.967 176.300 0.028 0.000 1.035 221 D CA -0.147 53.865 54.000 0.019 0.000 0.872 221 D CB 2.356 43.151 40.800 -0.008 0.000 1.183 221 D HN 0.397 8.767 8.370 -0.000 0.000 0.445 222 I N 2.329 122.919 120.570 0.033 0.000 2.336 222 I HA 0.331 4.500 4.170 -0.001 0.000 0.292 222 I C -0.008 176.135 176.117 0.043 0.000 0.991 222 I CA -0.536 60.798 61.300 0.056 0.000 1.227 222 I CB 1.050 39.096 38.000 0.077 0.000 1.366 222 I HN 0.082 8.292 8.210 -0.000 0.000 0.466 223 I N 6.121 126.719 120.570 0.047 0.000 2.404 223 I HA 0.250 4.419 4.170 -0.001 0.000 0.293 223 I C -0.677 175.590 176.117 0.250 0.000 0.992 223 I CA -0.817 60.511 61.300 0.047 0.000 1.149 223 I CB 1.393 39.213 38.000 -0.300 0.000 1.315 223 I HN 0.402 8.612 8.210 -0.000 0.000 0.446 224 Y N 4.194 124.594 120.300 0.165 0.000 2.319 224 Y HA 0.465 5.014 4.550 -0.002 0.000 0.328 224 Y C 0.788 176.912 175.900 0.374 0.000 1.133 224 Y CA -0.273 57.961 58.100 0.222 0.000 1.265 224 Y CB 1.311 39.908 38.460 0.228 0.000 1.218 224 Y HN 0.581 8.861 8.280 -0.000 0.000 0.508 225 G N 5.483 114.254 108.800 -0.047 0.000 2.372 225 G HA2 0.443 4.402 3.960 -0.001 0.000 0.283 225 G HA3 0.443 4.402 3.960 -0.001 0.000 0.283 225 G C -1.768 173.195 174.900 0.106 0.000 1.177 225 G CA -0.232 44.914 45.100 0.077 0.000 0.842 225 G HN 0.754 9.044 8.290 -0.000 0.000 0.503 226 Y N -1.540 118.798 120.300 0.063 0.000 2.788 226 Y HA 0.519 5.068 4.550 -0.001 0.000 0.335 226 Y C -0.155 175.785 175.900 0.067 0.000 1.287 226 Y CA -1.592 56.549 58.100 0.069 0.000 1.068 226 Y CB 0.709 39.269 38.460 0.166 0.000 1.340 226 Y HN 0.442 8.722 8.280 -0.000 0.000 0.449 227 Q N 1.531 121.455 119.800 0.206 0.000 2.330 227 Q HA 0.100 4.440 4.340 -0.001 0.000 0.279 227 Q C -0.649 175.408 176.000 0.096 0.000 1.024 227 Q CA 1.155 57.021 55.803 0.106 0.000 0.900 227 Q CB 0.106 28.918 28.738 0.124 0.000 1.221 227 Q HN 0.742 9.012 8.270 -0.000 0.000 0.396 228 D N 1.071 121.467 120.400 -0.007 0.000 3.041 228 D HA -0.143 4.496 4.640 -0.001 0.000 0.220 228 D C -0.759 175.451 176.300 -0.150 0.000 1.157 228 D CA 1.072 55.063 54.000 -0.016 0.000 0.876 228 D CB -0.814 40.036 40.800 0.084 0.000 1.107 228 D HN 0.749 9.119 8.370 -0.000 0.000 0.422 229 D N 0.764 120.905 120.400 -0.433 0.000 2.434 229 D HA 0.138 4.777 4.640 -0.001 0.000 0.252 229 D C -2.091 173.992 176.300 -0.363 0.000 1.185 229 D CA -0.856 52.694 54.000 -0.751 0.000 0.886 229 D CB 0.521 40.821 40.800 -0.833 0.000 1.148 229 D HN 0.108 8.478 8.370 -0.000 0.000 0.483 230 P HA 0.048 4.468 4.420 -0.000 0.000 0.271 230 P C 0.347 177.442 177.300 -0.341 0.000 1.218 230 P CA -0.211 62.581 63.100 -0.512 0.000 0.780 230 P CB 1.278 32.204 31.700 -1.289 0.000 0.901 231 E N 1.557 121.615 120.200 -0.236 0.000 2.230 231 E HA -0.154 4.196 4.350 -0.001 0.000 0.192 231 E C 1.497 178.139 176.600 0.071 0.000 0.987 231 E CA 0.539 56.905 56.400 -0.056 0.000 0.841 231 E CB -0.347 29.323 29.700 -0.051 0.000 0.783 231 E HN 0.541 8.901 8.360 -0.000 0.000 0.481 232 Y N -0.990 119.382 120.300 0.119 0.000 2.483 232 Y HA -0.126 4.423 4.550 -0.001 0.000 0.291 232 Y C 1.830 177.797 175.900 0.111 0.000 1.143 232 Y CA 0.464 58.626 58.100 0.104 0.000 1.289 232 Y CB -0.484 38.020 38.460 0.073 0.000 0.983 232 Y HN 0.020 8.300 8.280 -0.000 0.000 0.556 233 M N -0.272 119.370 119.600 0.070 0.000 2.175 233 M HA -0.142 4.337 4.480 -0.001 0.000 0.264 233 M C 1.690 177.968 176.300 -0.037 0.000 1.063 233 M CA 1.387 56.703 55.300 0.026 0.000 1.119 233 M CB -1.431 31.098 32.600 -0.119 0.000 1.377 233 M HN 0.417 8.707 8.290 -0.000 0.000 0.415 234 Y N 0.951 121.256 120.300 0.008 0.000 2.242 234 Y HA -0.200 4.349 4.550 -0.002 0.000 0.291 234 Y C 2.303 178.228 175.900 0.043 0.000 1.137 234 Y CA 1.096 59.202 58.100 0.009 0.000 1.181 234 Y CB -0.813 37.622 38.460 -0.041 0.000 0.989 234 Y HN 0.289 8.569 8.280 -0.000 0.000 0.527 235 D N -0.090 120.437 120.400 0.212 0.000 2.104 235 D HA -0.197 4.442 4.640 -0.001 0.000 0.194 235 D C 2.276 178.663 176.300 0.145 0.000 0.994 235 D CA 1.574 55.670 54.000 0.159 0.000 0.830 235 D CB -0.507 40.392 40.800 0.165 0.000 0.959 235 D HN 0.356 8.726 8.370 -0.000 0.000 0.452 236 A N 0.418 123.335 122.820 0.162 0.000 1.930 236 A HA -0.112 4.207 4.320 -0.001 0.000 0.217 236 A C 2.467 180.173 177.584 0.203 0.000 1.175 236 A CA 1.573 53.723 52.037 0.189 0.000 0.627 236 A CB -0.434 18.671 19.000 0.174 0.000 0.815 236 A HN 0.128 8.278 8.150 -0.000 0.000 0.443 237 S N -0.180 115.589 115.700 0.115 0.000 2.356 237 S HA -0.108 4.361 4.470 -0.001 0.000 0.223 237 S C 1.813 176.484 174.600 0.119 0.000 1.032 237 S CA 1.416 59.672 58.200 0.094 0.000 1.005 237 S CB -0.478 62.737 63.200 0.025 0.000 0.867 237 S HN 0.542 8.852 8.310 -0.000 0.000 0.449 238 I N 1.617 122.251 120.570 0.106 0.000 2.118 238 I HA -0.255 3.914 4.170 -0.001 0.000 0.241 238 I C 2.601 178.761 176.117 0.073 0.000 1.070 238 I CA 1.332 62.684 61.300 0.087 0.000 1.327 238 I CB -0.333 37.716 38.000 0.082 0.000 1.034 238 I HN 0.219 8.429 8.210 -0.000 0.000 0.405 239 K N 0.147 120.591 120.400 0.074 0.000 2.160 239 K HA -0.226 4.093 4.320 -0.001 0.000 0.206 239 K C 1.620 178.166 176.600 -0.090 0.000 1.047 239 K CA 1.548 57.832 56.287 -0.005 0.000 0.930 239 K CB -0.163 32.335 32.500 -0.002 0.000 0.720 239 K HN 0.509 8.759 8.250 -0.000 0.000 0.450 240 H N -1.013 118.075 119.070 0.030 0.000 2.517 240 H HA 0.086 4.641 4.556 -0.001 0.000 0.282 240 H C 0.534 175.878 175.328 0.026 0.000 1.023 240 H CA 0.620 56.684 56.048 0.026 0.000 1.169 240 H CB 0.499 30.276 29.762 0.025 0.000 1.454 240 H HN 0.474 8.754 8.280 -0.000 0.000 0.556 241 G N 1.777 110.634 108.800 0.095 0.000 2.295 241 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.287 241 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.287 241 G C 0.361 175.307 174.900 0.077 0.000 1.055 241 G CA 0.413 45.555 45.100 0.069 0.000 0.922 241 G HN 0.205 8.495 8.290 -0.000 0.000 0.503 242 V N 0.111 120.076 119.914 0.086 0.000 2.843 242 V HA 0.145 4.264 4.120 -0.001 0.000 0.305 242 V C 1.607 177.739 176.094 0.063 0.000 1.065 242 V CA 0.527 62.869 62.300 0.071 0.000 1.116 242 V CB 1.394 33.256 31.823 0.066 0.000 0.968 242 V HN 0.366 8.556 8.190 -0.000 0.000 0.487 243 K N 2.008 122.444 120.400 0.060 0.000 2.361 243 K HA 0.271 4.590 4.320 -0.001 0.000 0.194 243 K C 0.550 177.188 176.600 0.065 0.000 1.032 243 K CA 0.598 56.920 56.287 0.059 0.000 1.048 243 K CB 1.054 33.588 32.500 0.056 0.000 0.842 243 K HN 0.862 9.112 8.250 -0.000 0.000 0.526 244 G N 0.677 109.517 108.800 0.067 0.000 2.704 244 G HA2 0.610 4.570 3.960 -0.001 0.000 0.293 244 G HA3 0.610 4.570 3.960 -0.001 0.000 0.293 244 G C -1.473 173.469 174.900 0.069 0.000 1.421 244 G CA -0.650 44.495 45.100 0.074 0.000 0.870 244 G HN -0.019 8.271 8.290 -0.000 0.000 0.492 245 I N 0.673 121.287 120.570 0.073 0.000 2.499 245 I HA 0.371 4.540 4.170 -0.001 0.000 0.288 245 I C -0.474 175.696 176.117 0.088 0.000 1.048 245 I CA -1.082 60.259 61.300 0.069 0.000 1.062 245 I CB 2.443 40.481 38.000 0.064 0.000 1.238 245 I HN 0.153 8.363 8.210 -0.000 0.000 0.426 246 V N 6.128 126.096 119.914 0.090 0.000 2.407 246 V HA 0.179 4.298 4.120 -0.001 0.000 0.278 246 V C -0.846 175.340 176.094 0.152 0.000 1.037 246 V CA -0.528 61.834 62.300 0.103 0.000 0.900 246 V CB 1.352 33.233 31.823 0.097 0.000 0.983 246 V HN 0.477 8.667 8.190 -0.000 0.000 0.459 247 Y N 5.191 125.502 120.300 0.018 0.000 2.504 247 Y HA 0.598 5.148 4.550 -0.001 0.000 0.339 247 Y C 0.579 176.478 175.900 -0.001 0.000 0.974 247 Y CA -1.634 56.485 58.100 0.032 0.000 1.232 247 Y CB 0.782 39.283 38.460 0.068 0.000 1.108 247 Y HN 0.675 8.955 8.280 -0.000 0.000 0.509 248 A N 5.759 128.424 122.820 -0.257 0.000 2.981 248 A HA 0.428 4.747 4.320 -0.001 0.000 0.280 248 A C 0.925 178.014 177.584 -0.825 0.000 1.797 248 A CA 0.357 52.164 52.037 -0.383 0.000 1.456 248 A CB -1.312 17.616 19.000 -0.119 0.000 1.057 248 A HN 0.940 9.090 8.150 -0.000 0.000 0.602 249 G N 0.945 109.100 108.800 -1.076 0.000 2.507 249 G HA2 0.464 4.424 3.960 -0.001 0.000 0.271 249 G HA3 0.464 4.424 3.960 -0.001 0.000 0.271 249 G C 0.221 174.800 174.900 -0.534 0.000 1.189 249 G CA -0.852 43.474 45.100 -1.291 0.000 0.859 249 G HN 0.611 8.902 8.290 -0.000 0.000 0.542 250 M N 1.774 121.198 119.600 -0.293 0.000 2.269 250 M HA 0.247 4.726 4.480 -0.001 0.000 0.350 250 M C 1.529 177.769 176.300 -0.100 0.000 1.429 250 M CA 1.301 56.514 55.300 -0.143 0.000 1.063 250 M CB 0.139 32.716 32.600 -0.039 0.000 1.841 250 M HN 1.062 9.352 8.290 -0.000 0.000 0.455 251 G N 2.821 111.568 108.800 -0.088 0.000 2.651 251 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.315 251 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.315 251 G C 0.295 175.156 174.900 -0.065 0.000 1.258 251 G CA 0.217 45.283 45.100 -0.058 0.000 1.002 251 G HN 1.094 9.384 8.290 -0.000 0.000 0.551 252 A N 0.993 123.790 122.820 -0.037 0.000 3.135 252 A HA 0.623 4.943 4.320 -0.001 0.000 0.253 252 A C 1.945 179.515 177.584 -0.024 0.000 1.638 252 A CA 1.309 53.329 52.037 -0.028 0.000 1.295 252 A CB -1.296 17.698 19.000 -0.009 0.000 1.106 252 A HN 2.786 10.936 8.150 -0.000 0.000 0.648 253 G N 0.480 109.241 108.800 -0.065 0.000 2.258 253 G HA2 -0.255 3.705 3.960 -0.001 0.000 0.274 253 G HA3 -0.255 3.705 3.960 -0.001 0.000 0.274 253 G C 0.349 175.314 174.900 0.108 0.000 1.021 253 G CA 0.457 45.529 45.100 -0.045 0.000 0.798 253 G HN 0.891 9.181 8.290 -0.000 0.000 0.507 254 S N -0.974 114.770 115.700 0.073 0.000 2.562 254 S HA 0.486 4.955 4.470 -0.001 0.000 0.281 254 S C 0.643 175.366 174.600 0.206 0.000 1.333 254 S CA 0.007 58.267 58.200 0.099 0.000 1.052 254 S CB 2.060 65.284 63.200 0.040 0.000 0.884 254 S HN 1.504 9.814 8.310 -0.000 0.000 0.506 255 V N 0.498 120.470 119.914 0.096 0.000 2.435 255 V HA 0.714 4.833 4.120 -0.001 0.000 0.290 255 V C 0.441 176.502 176.094 -0.055 0.000 1.030 255 V CA -1.029 61.260 62.300 -0.019 0.000 0.881 255 V CB 0.956 32.662 31.823 -0.194 0.000 0.983 255 V HN 0.934 9.124 8.190 -0.000 0.000 0.445 256 S N 3.859 119.516 115.700 -0.073 0.000 2.617 256 S HA 0.223 4.693 4.470 -0.001 0.000 0.259 256 S C 1.010 175.531 174.600 -0.132 0.000 1.301 256 S CA 0.148 58.296 58.200 -0.087 0.000 0.984 256 S CB 0.492 63.638 63.200 -0.090 0.000 0.954 256 S HN 1.008 9.318 8.310 -0.000 0.000 0.572 257 K N -0.002 120.332 120.400 -0.111 0.000 2.365 257 K HA 0.014 4.333 4.320 -0.001 0.000 0.199 257 K C 1.857 178.362 176.600 -0.159 0.000 1.045 257 K CA 0.689 56.904 56.287 -0.120 0.000 0.962 257 K CB -0.183 32.267 32.500 -0.083 0.000 0.759 257 K HN 0.436 8.686 8.250 -0.000 0.000 0.469 258 R N 0.931 121.325 120.500 -0.178 0.000 2.080 258 R HA 0.065 4.404 4.340 -0.001 0.000 0.222 258 R C 2.600 178.676 176.300 -0.374 0.000 1.107 258 R CA 1.271 57.240 56.100 -0.218 0.000 0.980 258 R CB -0.669 29.526 30.300 -0.176 0.000 0.879 258 R HN 0.412 8.682 8.270 -0.000 0.000 0.439 259 G N 0.934 109.484 108.800 -0.417 0.000 2.446 259 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.217 259 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.217 259 G C 1.190 175.657 174.900 -0.722 0.000 1.168 259 G CA 1.062 45.738 45.100 -0.707 0.000 0.771 259 G HN 0.314 8.604 8.290 -0.000 0.000 0.551 260 D N 1.272 121.412 120.400 -0.433 0.000 2.092 260 D HA -0.126 4.513 4.640 -0.001 0.000 0.193 260 D C 2.788 178.907 176.300 -0.303 0.000 0.994 260 D CA 1.544 55.354 54.000 -0.316 0.000 0.828 260 D CB -0.359 40.322 40.800 -0.199 0.000 0.963 260 D HN 0.228 8.598 8.370 -0.000 0.000 0.450 261 A N 0.524 123.179 122.820 -0.275 0.000 1.940 261 A HA -0.055 4.264 4.320 -0.001 0.000 0.219 261 A C 2.417 179.835 177.584 -0.278 0.000 1.176 261 A CA 2.313 54.218 52.037 -0.220 0.000 0.631 261 A CB -1.151 17.749 19.000 -0.166 0.000 0.814 261 A HN 0.415 8.565 8.150 -0.000 0.000 0.446 262 G N -0.041 108.459 108.800 -0.500 0.000 2.404 262 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.215 262 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.215 262 G C 1.417 176.033 174.900 -0.472 0.000 1.174 262 G CA 1.032 45.737 45.100 -0.659 0.000 0.780 262 G HN 0.354 8.644 8.290 -0.000 0.000 0.537 263 I N 0.875 121.110 120.570 -0.560 0.000 2.179 263 I HA -0.106 4.063 4.170 -0.001 0.000 0.242 263 I C 2.798 178.845 176.117 -0.116 0.000 1.088 263 I CA 1.145 62.317 61.300 -0.214 0.000 1.357 263 I CB -0.931 36.926 38.000 -0.239 0.000 1.051 263 I HN 0.184 8.394 8.210 -0.000 0.000 0.409 264 R N 0.405 120.815 120.500 -0.150 0.000 2.148 264 R HA -0.145 4.194 4.340 -0.001 0.000 0.227 264 R C 2.268 178.533 176.300 -0.058 0.000 1.103 264 R CA 0.807 56.853 56.100 -0.091 0.000 0.983 264 R CB -0.153 30.089 30.300 -0.096 0.000 0.874 264 R HN 0.362 8.632 8.270 -0.000 0.000 0.451 265 K N 0.648 121.010 120.400 -0.063 0.000 2.025 265 K HA -0.065 4.255 4.320 -0.001 0.000 0.207 265 K C 1.989 178.596 176.600 0.011 0.000 1.049 265 K CA 1.256 57.531 56.287 -0.021 0.000 0.933 265 K CB -0.025 32.468 32.500 -0.012 0.000 0.714 265 K HN 0.110 8.361 8.250 -0.000 0.000 0.438 266 A N 1.367 124.207 122.820 0.033 0.000 1.969 266 A HA -0.159 4.160 4.320 -0.001 0.000 0.218 266 A C 1.764 179.371 177.584 0.039 0.000 1.169 266 A CA 1.413 53.486 52.037 0.060 0.000 0.635 266 A CB -0.333 18.733 19.000 0.110 0.000 0.810 266 A HN 0.430 8.580 8.150 -0.000 0.000 0.445 267 E N -0.065 120.147 120.200 0.019 0.000 2.072 267 E HA -0.097 4.252 4.350 -0.001 0.000 0.191 267 E C 1.981 178.588 176.600 0.012 0.000 0.985 267 E CA 1.145 57.553 56.400 0.013 0.000 0.801 267 E CB -0.176 29.523 29.700 -0.002 0.000 0.750 267 E HN 0.534 8.894 8.360 -0.000 0.000 0.452 268 S N 0.585 116.288 115.700 0.006 0.000 2.528 268 S HA -0.071 4.398 4.470 -0.001 0.000 0.244 268 S C 1.197 175.805 174.600 0.013 0.000 0.982 268 S CA 0.914 59.117 58.200 0.006 0.000 0.953 268 S CB 0.065 63.265 63.200 0.000 0.000 0.754 268 S HN 0.124 8.434 8.310 -0.000 0.000 0.529 269 K N -0.436 119.976 120.400 0.020 0.000 2.413 269 K HA 0.342 4.662 4.320 -0.001 0.000 0.204 269 K C 1.133 177.750 176.600 0.028 0.000 1.041 269 K CA 0.553 56.854 56.287 0.024 0.000 1.082 269 K CB 0.685 33.203 32.500 0.030 0.000 0.871 269 K HN 0.319 8.569 8.250 -0.000 0.000 0.535 270 G N 1.658 110.475 108.800 0.028 0.000 2.176 270 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.232 270 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.232 270 G C 0.175 175.098 174.900 0.039 0.000 0.986 270 G CA -0.301 44.818 45.100 0.031 0.000 0.643 270 G HN 0.257 8.547 8.290 -0.000 0.000 0.522 271 I N 1.802 122.398 120.570 0.043 0.000 2.533 271 I HA 0.259 4.429 4.170 -0.001 0.000 0.284 271 I C 0.893 177.040 176.117 0.051 0.000 1.109 271 I CA -0.446 60.886 61.300 0.052 0.000 1.412 271 I CB 1.285 39.322 38.000 0.061 0.000 1.396 271 I HN -0.098 8.112 8.210 -0.000 0.000 0.543 272 V N 7.977 127.926 119.914 0.058 0.000 2.455 272 V HA 0.156 4.276 4.120 -0.001 0.000 0.273 272 V C 0.302 176.429 176.094 0.054 0.000 1.045 272 V CA -0.412 61.921 62.300 0.056 0.000 0.976 272 V CB 1.038 32.906 31.823 0.075 0.000 0.993 272 V HN 0.389 8.579 8.190 -0.000 0.000 0.475 273 V N 5.723 125.659 119.914 0.036 0.000 2.630 273 V HA 0.577 4.697 4.120 -0.001 0.000 0.305 273 V C -0.102 175.985 176.094 -0.012 0.000 1.046 273 V CA -0.599 61.724 62.300 0.038 0.000 0.934 273 V CB 1.984 33.837 31.823 0.049 0.000 1.003 273 V HN 0.577 8.767 8.190 -0.000 0.000 0.451 274 V N 4.208 124.109 119.914 -0.022 0.000 2.531 274 V HA 0.461 4.580 4.120 -0.001 0.000 0.301 274 V C -0.136 175.941 176.094 -0.029 0.000 1.034 274 V CA -0.871 61.343 62.300 -0.143 0.000 0.865 274 V CB 1.963 33.575 31.823 -0.352 0.000 0.995 274 V HN 0.827 9.017 8.190 -0.000 0.000 0.424 275 R N 2.521 123.006 120.500 -0.026 0.000 2.248 275 R HA 0.446 4.785 4.340 -0.001 0.000 0.337 275 R C 0.471 176.745 176.300 -0.044 0.000 1.106 275 R CA 0.063 56.209 56.100 0.077 0.000 0.959 275 R CB 1.082 31.455 30.300 0.122 0.000 1.075 275 R HN 0.763 9.033 8.270 -0.000 0.000 0.480 276 S N 1.272 116.932 115.700 -0.067 0.000 2.414 276 S HA 0.427 4.896 4.470 -0.001 0.000 0.267 276 S C -0.118 174.397 174.600 -0.142 0.000 1.165 276 S CA -0.451 57.700 58.200 -0.082 0.000 1.028 276 S CB 1.043 64.218 63.200 -0.042 0.000 1.154 276 S HN 0.447 8.757 8.310 -0.000 0.000 0.472 277 S N -1.121 114.500 115.700 -0.131 0.000 2.540 277 S HA 0.408 4.878 4.470 -0.001 0.000 0.275 277 S C 0.325 174.824 174.600 -0.168 0.000 1.123 277 S CA -0.748 57.350 58.200 -0.170 0.000 0.907 277 S CB 1.244 64.386 63.200 -0.097 0.000 1.081 277 S HN 0.736 9.046 8.310 -0.000 0.000 0.476 278 R N 1.681 122.035 120.500 -0.243 0.000 2.307 278 R HA 0.040 4.379 4.340 -0.001 0.000 0.199 278 R C 1.415 177.673 176.300 -0.071 0.000 1.000 278 R CA 1.465 57.444 56.100 -0.203 0.000 1.023 278 R CB -1.060 28.952 30.300 -0.479 0.000 0.908 278 R HN 0.675 8.945 8.270 -0.000 0.000 0.473 279 T N -3.201 111.311 114.554 -0.070 0.000 2.777 279 T HA 0.132 4.482 4.350 -0.001 0.000 0.266 279 T C 1.719 176.412 174.700 -0.012 0.000 1.040 279 T CA 1.190 63.270 62.100 -0.034 0.000 1.141 279 T CB -0.022 68.824 68.868 -0.036 0.000 0.868 279 T HN 0.488 8.728 8.240 -0.000 0.000 0.444 280 G N 0.408 109.201 108.800 -0.011 0.000 2.797 280 G HA2 0.070 4.029 3.960 -0.001 0.000 0.195 280 G HA3 0.070 4.029 3.960 -0.001 0.000 0.195 280 G C 0.307 175.206 174.900 -0.002 0.000 1.026 280 G CA 0.366 45.464 45.100 -0.003 0.000 0.759 280 G HN 1.507 9.797 8.290 -0.000 0.000 0.475 281 S N -1.061 114.634 115.700 -0.008 0.000 2.661 281 S HA 0.878 5.348 4.470 -0.001 0.000 0.268 281 S C 0.240 174.836 174.600 -0.007 0.000 1.162 281 S CA 0.681 58.877 58.200 -0.007 0.000 0.817 281 S CB 1.521 64.707 63.200 -0.023 0.000 1.141 281 S HN 2.478 10.788 8.310 -0.000 0.000 0.477 282 G N -0.108 108.689 108.800 -0.005 0.000 2.730 282 G HA2 0.129 4.089 3.960 -0.001 0.000 0.686 282 G HA3 0.129 4.089 3.960 -0.001 0.000 0.686 282 G C -1.132 173.782 174.900 0.022 0.000 1.343 282 G CA -0.446 44.654 45.100 -0.001 0.000 0.826 282 G HN 1.131 9.421 8.290 -0.000 0.000 0.582 283 I N 0.107 120.694 120.570 0.029 0.000 2.441 283 I HA 0.348 4.518 4.170 -0.001 0.000 0.287 283 I C 0.935 177.076 176.117 0.041 0.000 1.049 283 I CA -0.162 61.170 61.300 0.054 0.000 1.381 283 I CB 1.642 39.679 38.000 0.062 0.000 1.409 283 I HN 0.428 8.638 8.210 -0.000 0.000 0.523 284 V N 9.670 129.614 119.914 0.049 0.000 2.339 284 V HA 0.284 4.403 4.120 -0.001 0.000 0.261 284 V C -1.887 174.245 176.094 0.063 0.000 1.058 284 V CA -1.398 60.923 62.300 0.034 0.000 0.897 284 V CB 0.303 32.130 31.823 0.008 0.000 1.052 284 V HN 0.631 8.821 8.190 -0.000 0.000 0.480 285 P HA 0.366 4.786 4.420 -0.000 0.000 0.276 285 P C -2.769 174.569 177.300 0.064 0.000 1.252 285 P CA -2.081 61.058 63.100 0.066 0.000 0.802 285 P CB 0.183 31.905 31.700 0.037 0.000 1.035 286 P HA 0.134 4.554 4.420 -0.000 0.000 0.266 286 P C -0.492 176.827 177.300 0.032 0.000 1.195 286 P CA 0.812 63.948 63.100 0.060 0.000 0.768 286 P CB 0.122 31.862 31.700 0.066 0.000 0.838 287 D N 1.648 122.062 120.400 0.023 0.000 2.381 287 D HA 0.282 4.921 4.640 -0.001 0.000 0.245 287 D C 0.851 177.154 176.300 0.005 0.000 1.297 287 D CA -0.541 53.466 54.000 0.012 0.000 0.931 287 D CB 0.567 41.373 40.800 0.010 0.000 1.334 287 D HN 0.192 8.562 8.370 -0.000 0.000 0.535 288 A N 1.946 124.769 122.820 0.005 0.000 2.084 288 A HA -0.026 4.293 4.320 -0.001 0.000 0.221 288 A C 1.892 179.472 177.584 -0.007 0.000 1.161 288 A CA 1.789 53.827 52.037 0.000 0.000 0.653 288 A CB -0.289 18.712 19.000 0.001 0.000 0.802 288 A HN 0.517 8.667 8.150 -0.000 0.000 0.457 289 G N -1.887 106.908 108.800 -0.008 0.000 2.985 289 G HA2 0.262 4.221 3.960 -0.001 0.000 0.209 289 G HA3 0.262 4.221 3.960 -0.001 0.000 0.209 289 G C 0.568 175.456 174.900 -0.020 0.000 1.165 289 G CA -0.043 45.049 45.100 -0.014 0.000 0.776 289 G HN 0.572 8.862 8.290 -0.000 0.000 0.541 290 Q N 0.324 120.113 119.800 -0.018 0.000 2.365 290 Q HA 0.333 4.672 4.340 -0.001 0.000 0.269 290 Q C -2.549 173.431 176.000 -0.032 0.000 1.061 290 Q CA -2.079 53.708 55.803 -0.027 0.000 0.816 290 Q CB 3.004 31.734 28.738 -0.014 0.000 1.325 290 Q HN 0.052 8.322 8.270 -0.000 0.000 0.446 291 P HA 0.209 4.629 4.420 -0.000 0.000 0.274 291 P C 0.050 177.325 177.300 -0.042 0.000 1.237 291 P CA 0.380 63.447 63.100 -0.054 0.000 0.793 291 P CB 0.648 32.295 31.700 -0.088 0.000 0.977 292 G N 0.156 108.936 108.800 -0.033 0.000 2.781 292 G HA2 -0.154 3.805 3.960 -0.001 0.000 0.683 292 G HA3 -0.154 3.805 3.960 -0.001 0.000 0.683 292 G C -0.533 174.347 174.900 -0.034 0.000 1.390 292 G CA -0.604 44.480 45.100 -0.027 0.000 0.850 292 G HN 0.535 8.825 8.290 -0.000 0.000 0.557 293 L N -1.017 120.170 121.223 -0.059 0.000 2.470 293 L HA 0.648 4.988 4.340 -0.001 0.000 0.243 293 L C 0.948 177.729 176.870 -0.148 0.000 1.227 293 L CA -0.825 53.952 54.840 -0.105 0.000 0.824 293 L CB 0.618 42.584 42.059 -0.154 0.000 1.175 293 L HN 0.523 8.753 8.230 -0.000 0.000 0.503 294 V N -0.370 119.422 119.914 -0.202 0.000 2.656 294 V HA 0.383 4.502 4.120 -0.001 0.000 0.307 294 V C 0.551 176.461 176.094 -0.306 0.000 1.051 294 V CA -0.174 62.026 62.300 -0.167 0.000 0.893 294 V CB 1.809 33.617 31.823 -0.026 0.000 0.999 294 V HN 0.865 9.055 8.190 -0.000 0.000 0.426 295 A N 3.115 125.796 122.820 -0.232 0.000 2.169 295 A HA 0.148 4.468 4.320 -0.001 0.000 0.212 295 A C 1.034 178.692 177.584 0.123 0.000 1.153 295 A CA 1.157 53.089 52.037 -0.175 0.000 0.756 295 A CB -0.431 18.527 19.000 -0.070 0.000 0.813 295 A HN 1.136 9.286 8.150 -0.000 0.000 0.471 296 D N -1.350 119.114 120.400 0.107 0.000 3.632 296 D HA -0.233 4.406 4.640 -0.001 0.000 0.193 296 D C 0.874 177.269 176.300 0.159 0.000 1.293 296 D CA 2.005 56.129 54.000 0.206 0.000 1.100 296 D CB -1.255 39.717 40.800 0.287 0.000 0.619 296 D HN 0.647 9.017 8.370 -0.000 0.000 0.733 297 S N 0.142 115.948 115.700 0.177 0.000 2.634 297 S HA 0.319 4.788 4.470 -0.001 0.000 0.221 297 S C 0.930 175.606 174.600 0.126 0.000 0.952 297 S CA -0.296 57.987 58.200 0.137 0.000 0.930 297 S CB -0.275 63.016 63.200 0.151 0.000 0.780 297 S HN 0.329 8.639 8.310 -0.000 0.000 0.498 298 L N 3.479 124.782 121.223 0.134 0.000 2.319 298 L HA 0.306 4.646 4.340 -0.001 0.000 0.280 298 L C 0.929 177.837 176.870 0.062 0.000 1.099 298 L CA -0.460 54.427 54.840 0.077 0.000 0.828 298 L CB 0.951 43.090 42.059 0.132 0.000 1.150 298 L HN 0.379 8.609 8.230 -0.000 0.000 0.442 299 S N 3.428 119.134 115.700 0.011 0.000 2.569 299 S HA 0.137 4.606 4.470 -0.001 0.000 0.274 299 S C -1.794 172.827 174.600 0.036 0.000 1.353 299 S CA -0.939 57.270 58.200 0.016 0.000 1.023 299 S CB 0.661 63.864 63.200 0.004 0.000 0.876 299 S HN 0.426 8.736 8.310 -0.000 0.000 0.540 300 P HA -0.077 4.343 4.420 -0.000 0.000 0.215 300 P C 1.713 179.054 177.300 0.069 0.000 1.157 300 P CA 2.083 65.212 63.100 0.048 0.000 0.868 300 P CB -0.318 31.407 31.700 0.043 0.000 0.788 301 A N -0.032 122.824 122.820 0.059 0.000 1.883 301 A HA -0.243 4.077 4.320 -0.001 0.000 0.217 301 A C 2.105 179.731 177.584 0.069 0.000 1.186 301 A CA 1.931 54.006 52.037 0.064 0.000 0.624 301 A CB -1.123 17.912 19.000 0.057 0.000 0.822 301 A HN 0.156 8.306 8.150 -0.000 0.000 0.444 302 K N -0.314 120.104 120.400 0.029 0.000 2.217 302 K HA 0.005 4.324 4.320 -0.001 0.000 0.202 302 K C 2.254 178.892 176.600 0.065 0.000 1.051 302 K CA 1.136 57.416 56.287 -0.012 0.000 0.952 302 K CB -0.092 32.238 32.500 -0.283 0.000 0.736 302 K HN 0.414 8.664 8.250 -0.000 0.000 0.453 303 S N 0.984 116.758 115.700 0.124 0.000 2.383 303 S HA -0.096 4.374 4.470 -0.001 0.000 0.227 303 S C 1.850 176.611 174.600 0.268 0.000 1.026 303 S CA 0.805 59.189 58.200 0.307 0.000 0.981 303 S CB -0.089 63.316 63.200 0.341 0.000 0.818 303 S HN 0.286 8.596 8.310 -0.000 0.000 0.472 304 R N 0.854 121.456 120.500 0.171 0.000 2.105 304 R HA -0.082 4.257 4.340 -0.001 0.000 0.239 304 R C 1.906 178.275 176.300 0.116 0.000 1.135 304 R CA 1.212 57.394 56.100 0.137 0.000 0.967 304 R CB -0.280 30.082 30.300 0.103 0.000 0.861 304 R HN 0.320 8.590 8.270 -0.000 0.000 0.442 305 I N 0.799 121.444 120.570 0.124 0.000 2.202 305 I HA -0.257 3.912 4.170 -0.001 0.000 0.242 305 I C 2.375 178.444 176.117 -0.080 0.000 1.091 305 I CA 0.794 62.151 61.300 0.095 0.000 1.368 305 I CB -1.010 37.113 38.000 0.204 0.000 1.058 305 I HN 0.260 8.470 8.210 -0.000 0.000 0.410 306 L N 0.858 122.040 121.223 -0.068 0.000 2.017 306 L HA -0.191 4.148 4.340 -0.001 0.000 0.208 306 L C 2.355 179.031 176.870 -0.323 0.000 1.073 306 L CA 1.614 56.227 54.840 -0.378 0.000 0.745 306 L CB -0.920 40.804 42.059 -0.560 0.000 0.894 306 L HN 0.118 8.348 8.230 -0.000 0.000 0.432 307 L N -0.704 120.531 121.223 0.020 0.000 1.989 307 L HA -0.251 4.088 4.340 -0.001 0.000 0.211 307 L C 2.520 179.404 176.870 0.024 0.000 1.071 307 L CA 2.300 57.236 54.840 0.160 0.000 0.749 307 L CB -0.731 41.491 42.059 0.271 0.000 0.890 307 L HN 0.435 8.665 8.230 -0.000 0.000 0.431 308 M N -1.109 118.488 119.600 -0.005 0.000 2.352 308 M HA -0.326 4.154 4.480 -0.001 0.000 0.260 308 M C 2.160 178.406 176.300 -0.090 0.000 1.068 308 M CA 2.545 57.836 55.300 -0.016 0.000 1.082 308 M CB -0.401 32.210 32.600 0.017 0.000 1.262 308 M HN 0.329 8.619 8.290 -0.000 0.000 0.444 309 L N -0.567 120.499 121.223 -0.261 0.000 2.127 309 L HA -0.190 4.149 4.340 -0.001 0.000 0.211 309 L C 2.582 179.305 176.870 -0.245 0.000 1.089 309 L CA 1.146 55.760 54.840 -0.378 0.000 0.757 309 L CB -1.025 40.549 42.059 -0.808 0.000 0.899 309 L HN 0.446 8.676 8.230 -0.000 0.000 0.434 310 A N -0.040 122.623 122.820 -0.262 0.000 2.015 310 A HA -0.079 4.240 4.320 -0.001 0.000 0.219 310 A C 2.182 179.863 177.584 0.162 0.000 1.163 310 A CA 1.129 53.222 52.037 0.093 0.000 0.646 310 A CB -0.567 18.518 19.000 0.142 0.000 0.806 310 A HN 0.395 8.545 8.150 -0.000 0.000 0.448 311 L N 0.154 121.429 121.223 0.085 0.000 2.552 311 L HA -0.067 4.272 4.340 -0.001 0.000 0.227 311 L C 2.584 179.498 176.870 0.074 0.000 1.146 311 L CA 1.310 56.204 54.840 0.090 0.000 0.858 311 L CB -0.370 41.733 42.059 0.073 0.000 0.969 311 L HN 0.620 8.850 8.230 -0.000 0.000 0.451 312 T N -4.285 110.308 114.554 0.065 0.000 3.088 312 T HA -0.028 4.321 4.350 -0.001 0.000 0.259 312 T C 1.720 176.460 174.700 0.067 0.000 1.122 312 T CA 0.504 62.638 62.100 0.057 0.000 1.095 312 T CB 0.149 69.042 68.868 0.041 0.000 0.930 312 T HN 0.252 8.492 8.240 -0.000 0.000 0.508 313 K N -0.037 120.423 120.400 0.100 0.000 2.306 313 K HA 0.235 4.555 4.320 -0.001 0.000 0.200 313 K C 0.716 177.378 176.600 0.104 0.000 1.083 313 K CA 0.521 56.864 56.287 0.094 0.000 0.959 313 K CB 0.793 33.353 32.500 0.100 0.000 0.994 313 K HN 0.321 8.571 8.250 -0.000 0.000 0.492 314 T N -1.468 113.168 114.554 0.137 0.000 2.853 314 T HA 0.205 4.555 4.350 -0.001 0.000 0.311 314 T C 0.062 174.827 174.700 0.108 0.000 1.307 314 T CA -0.601 61.569 62.100 0.116 0.000 1.019 314 T CB 1.959 70.905 68.868 0.130 0.000 1.264 314 T HN -0.034 8.206 8.240 -0.000 0.000 0.497 315 T N 1.444 116.045 114.554 0.078 0.000 3.042 315 T HA 0.203 4.552 4.350 -0.001 0.000 0.245 315 T C 0.991 175.728 174.700 0.062 0.000 1.029 315 T CA -0.190 61.952 62.100 0.069 0.000 1.120 315 T CB -0.246 68.653 68.868 0.051 0.000 0.917 315 T HN 0.657 8.897 8.240 -0.000 0.000 0.467 316 N N 3.612 122.341 118.700 0.049 0.000 2.386 316 N HA -0.033 4.706 4.740 -0.001 0.000 0.273 316 N C -1.643 173.888 175.510 0.035 0.000 1.331 316 N CA -1.159 51.910 53.050 0.033 0.000 0.891 316 N CB 1.209 39.707 38.487 0.018 0.000 1.139 316 N HN 0.081 8.461 8.380 -0.000 0.000 0.487 317 P HA -0.210 4.210 4.420 -0.000 0.000 0.216 317 P C 0.896 178.210 177.300 0.024 0.000 1.154 317 P CA 1.705 64.826 63.100 0.035 0.000 0.865 317 P CB 0.027 31.741 31.700 0.022 0.000 0.789 318 A N -0.316 122.509 122.820 0.009 0.000 1.902 318 A HA -0.130 4.189 4.320 -0.001 0.000 0.217 318 A C 2.497 180.056 177.584 -0.041 0.000 1.181 318 A CA 1.989 54.025 52.037 -0.001 0.000 0.623 318 A CB -1.638 17.361 19.000 -0.001 0.000 0.818 318 A HN 0.073 8.223 8.150 -0.000 0.000 0.443 319 V N 0.431 120.300 119.914 -0.074 0.000 2.261 319 V HA -0.302 3.817 4.120 -0.001 0.000 0.246 319 V C 2.438 178.324 176.094 -0.347 0.000 1.047 319 V CA 2.146 64.321 62.300 -0.209 0.000 1.015 319 V CB -0.822 30.911 31.823 -0.149 0.000 0.642 319 V HN 0.583 8.773 8.190 -0.000 0.000 0.446 320 I N -0.181 120.342 120.570 -0.079 0.000 2.163 320 I HA -0.338 3.831 4.170 -0.001 0.000 0.243 320 I C 2.701 178.944 176.117 0.210 0.000 1.085 320 I CA 1.999 63.391 61.300 0.153 0.000 1.347 320 I CB -0.495 37.663 38.000 0.263 0.000 1.044 320 I HN 0.349 8.559 8.210 -0.000 0.000 0.408 321 Q N 1.214 121.081 119.800 0.112 0.000 2.152 321 Q HA -0.273 4.066 4.340 -0.001 0.000 0.206 321 Q C 1.646 177.706 176.000 0.099 0.000 0.985 321 Q CA 1.993 57.853 55.803 0.094 0.000 0.863 321 Q CB -0.255 28.512 28.738 0.049 0.000 0.904 321 Q HN 0.394 8.664 8.270 -0.000 0.000 0.422 322 D N -1.271 119.146 120.400 0.028 0.000 2.149 322 D HA -0.168 4.471 4.640 -0.001 0.000 0.198 322 D C 1.466 177.864 176.300 0.162 0.000 0.990 322 D CA 1.212 55.240 54.000 0.047 0.000 0.839 322 D CB -0.243 40.492 40.800 -0.107 0.000 0.948 322 D HN 0.499 8.869 8.370 -0.000 0.000 0.460 323 Y N -1.068 119.377 120.300 0.240 0.000 2.242 323 Y HA -0.143 4.406 4.550 -0.001 0.000 0.291 323 Y C 2.124 178.142 175.900 0.196 0.000 1.137 323 Y CA 0.196 58.461 58.100 0.275 0.000 1.181 323 Y CB -0.249 38.289 38.460 0.131 0.000 0.989 323 Y HN -0.069 8.211 8.280 -0.000 0.000 0.527 324 F N -0.914 119.160 119.950 0.206 0.000 2.365 324 F HA -0.198 4.328 4.527 -0.002 0.000 0.300 324 F C 2.055 177.851 175.800 -0.007 0.000 1.090 324 F CA 1.169 59.196 58.000 0.045 0.000 1.408 324 F CB -0.149 38.785 39.000 -0.110 0.000 1.060 324 F HN 0.236 8.536 8.300 -0.000 0.000 0.534 325 H N -1.882 117.389 119.070 0.335 0.000 2.547 325 H HA 0.317 4.872 4.556 -0.002 0.000 0.272 325 H C 2.101 177.544 175.328 0.192 0.000 0.971 325 H CA 0.938 57.123 56.048 0.227 0.000 1.245 325 H CB -0.164 29.697 29.762 0.166 0.000 1.440 325 H HN 0.254 8.534 8.280 -0.000 0.000 0.540 326 A N 0.031 123.046 122.820 0.326 0.000 1.973 326 A HA 0.115 4.434 4.320 -0.001 0.000 0.210 326 A C 0.410 178.029 177.584 0.058 0.000 1.200 326 A CA 0.193 52.339 52.037 0.181 0.000 0.707 326 A CB -0.012 19.093 19.000 0.175 0.000 0.862 326 A HN 0.105 8.255 8.150 -0.000 0.000 0.461 327 Y N 0.000 120.396 120.300 0.159 0.000 2.660 327 Y HA 0.000 4.549 4.550 -0.001 0.000 0.201 327 Y CA 0.000 58.176 58.100 0.127 0.000 1.940 327 Y CB 0.000 38.512 38.460 0.087 0.000 1.050 327 Y HN 0.000 8.280 8.280 -0.000 0.000 0.758