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 3lk4_1_Z DATA FIRST_RESID 2 DATA SEQUENCE SDQQLDCALD LMRRLPPQQI EKNLSDLIDL VPSLCEDLLS SVDQPLKIAR DATA SEQUENCE DKVVGKDYLL CDYNRDGDSY RSPWSNKYDP PLEDGAMPSA RLRKLEVEAN DATA SEQUENCE NAFDQYRDLY FEGGVSSVYL WDLDHGFAGV ILIKKAGDGS KKIKGCWDSI DATA SEQUENCE HVVEVQEXXX XRTAHYKLTS TVMLWLQTNK TGSGTMNLGG SLTRQMEKDE DATA SEQUENCE TVSDSSPHIA NIGRLVEDME NKIRSTLNEI YFGKTKDIVN GLR 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 2 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 2 S C 0.000 174.599 174.600 -0.002 0.000 1.055 2 S CA 0.000 58.198 58.200 -0.003 0.000 1.107 2 S CB 0.000 63.198 63.200 -0.003 0.000 0.593 3 D N 2.246 122.645 120.400 -0.001 0.000 2.472 3 D HA 0.442 5.082 4.640 0.001 0.000 0.234 3 D C 0.448 176.749 176.300 0.001 0.000 1.088 3 D CA 0.071 54.071 54.000 -0.000 0.000 0.882 3 D CB 1.093 41.893 40.800 0.001 0.000 1.037 3 D HN 0.750 9.120 8.370 -0.000 0.000 0.520 4 Q N 2.107 121.907 119.800 0.000 0.000 4.115 4 Q HA -0.111 4.229 4.340 0.001 0.000 0.212 4 Q C 0.484 176.484 176.000 -0.001 0.000 0.888 4 Q CA -0.040 55.763 55.803 0.000 0.000 0.576 4 Q CB -0.358 28.380 28.738 -0.000 0.000 0.876 4 Q HN 0.274 8.544 8.270 -0.000 0.000 0.528 5 Q N 0.529 120.327 119.800 -0.002 0.000 2.119 5 Q HA -0.082 4.258 4.340 0.001 0.000 0.201 5 Q C 1.854 177.852 176.000 -0.003 0.000 0.972 5 Q CA 1.497 57.299 55.803 -0.003 0.000 0.847 5 Q CB 0.134 28.869 28.738 -0.004 0.000 0.903 5 Q HN 0.379 8.649 8.270 -0.000 0.000 0.433 6 L N 1.315 122.537 121.223 -0.002 0.000 2.083 6 L HA -0.185 4.155 4.340 0.001 0.000 0.209 6 L C 1.737 178.607 176.870 0.001 0.000 1.083 6 L CA 1.956 56.795 54.840 -0.001 0.000 0.752 6 L CB -0.525 41.534 42.059 -0.000 0.000 0.899 6 L HN 0.118 8.348 8.230 -0.000 0.000 0.433 7 D N -1.388 119.013 120.400 0.002 0.000 2.144 7 D HA -0.167 4.473 4.640 0.001 0.000 0.200 7 D C 2.190 178.490 176.300 0.001 0.000 0.978 7 D CA 1.381 55.382 54.000 0.003 0.000 0.833 7 D CB -0.140 40.661 40.800 0.003 0.000 0.961 7 D HN 0.460 8.830 8.370 -0.000 0.000 0.470 8 C N 0.311 119.611 119.300 0.000 0.000 2.457 8 C HA 0.168 4.629 4.460 0.001 0.000 0.278 8 C C 2.854 177.844 174.990 -0.001 0.000 1.309 8 C CA 0.661 59.678 59.018 -0.001 0.000 1.735 8 C CB -1.054 26.685 27.740 -0.002 0.000 1.992 8 C HN 0.424 8.654 8.230 -0.000 0.000 0.493 9 A N 0.829 123.648 122.820 -0.001 0.000 1.865 9 A HA -0.144 4.177 4.320 0.001 0.000 0.217 9 A C 2.091 179.676 177.584 0.001 0.000 1.191 9 A CA 1.621 53.657 52.037 -0.001 0.000 0.623 9 A CB -0.701 18.297 19.000 -0.003 0.000 0.826 9 A HN 0.601 8.751 8.150 -0.000 0.000 0.444 10 L N -0.804 120.420 121.223 0.002 0.000 2.083 10 L HA -0.212 4.128 4.340 0.001 0.000 0.209 10 L C 2.388 179.259 176.870 0.003 0.000 1.083 10 L CA 1.874 56.717 54.840 0.005 0.000 0.752 10 L CB -0.685 41.378 42.059 0.007 0.000 0.899 10 L HN 0.524 8.754 8.230 -0.000 0.000 0.433 11 D N 0.093 120.494 120.400 0.001 0.000 2.117 11 D HA -0.227 4.413 4.640 0.001 0.000 0.197 11 D C 2.128 178.427 176.300 -0.001 0.000 0.987 11 D CA 0.830 54.830 54.000 -0.001 0.000 0.829 11 D CB 0.118 40.917 40.800 -0.002 0.000 0.961 11 D HN 0.062 8.432 8.370 -0.000 0.000 0.460 12 L N 0.149 121.372 121.223 0.000 0.000 2.046 12 L HA -0.089 4.251 4.340 0.001 0.000 0.208 12 L C 1.936 178.809 176.870 0.004 0.000 1.077 12 L CA 1.482 56.322 54.840 0.001 0.000 0.747 12 L CB -0.475 41.585 42.059 0.001 0.000 0.896 12 L HN 0.199 8.429 8.230 -0.000 0.000 0.432 13 M N -1.153 118.451 119.600 0.006 0.000 2.549 13 M HA -0.073 4.407 4.480 0.001 0.000 0.260 13 M C 1.840 178.146 176.300 0.010 0.000 1.076 13 M CA 0.965 56.273 55.300 0.013 0.000 1.090 13 M CB -1.008 31.602 32.600 0.016 0.000 1.418 13 M HN 0.213 8.503 8.290 -0.000 0.000 0.486 14 R N -0.102 120.398 120.500 0.001 0.000 2.275 14 R HA 0.070 4.410 4.340 0.001 0.000 0.199 14 R C 1.679 177.972 176.300 -0.012 0.000 0.989 14 R CA 0.532 56.628 56.100 -0.007 0.000 1.016 14 R CB 0.162 30.456 30.300 -0.010 0.000 0.918 14 R HN 0.484 8.754 8.270 -0.000 0.000 0.473 15 R N -0.812 119.684 120.500 -0.006 0.000 2.350 15 R HA 0.278 4.618 4.340 0.001 0.000 0.199 15 R C 0.517 176.816 176.300 -0.002 0.000 0.876 15 R CA -0.223 55.872 56.100 -0.008 0.000 1.062 15 R CB 0.241 30.536 30.300 -0.008 0.000 1.263 15 R HN -0.027 8.243 8.270 -0.000 0.000 0.641 16 L N 3.870 125.096 121.223 0.005 0.000 2.485 16 L HA 0.117 4.458 4.340 0.001 0.000 0.275 16 L C -2.065 174.817 176.870 0.021 0.000 1.207 16 L CA -1.701 53.146 54.840 0.011 0.000 0.855 16 L CB -0.057 42.011 42.059 0.014 0.000 1.114 16 L HN -0.222 8.008 8.230 -0.000 0.000 0.485 17 P HA -0.010 4.410 4.420 -0.000 0.000 0.261 17 P C -1.935 175.413 177.300 0.080 0.000 1.183 17 P CA -0.840 62.284 63.100 0.041 0.000 0.761 17 P CB 0.120 31.842 31.700 0.036 0.000 0.785 18 P HA -0.139 4.281 4.420 -0.000 0.000 0.226 18 P C 1.060 178.562 177.300 0.336 0.000 1.153 18 P CA 1.178 64.425 63.100 0.245 0.000 0.777 18 P CB 0.210 32.042 31.700 0.220 0.000 0.794 19 Q N -0.133 119.808 119.800 0.235 0.000 2.234 19 Q HA -0.152 4.189 4.340 0.001 0.000 0.206 19 Q C 1.300 177.312 176.000 0.021 0.000 0.980 19 Q CA 1.442 57.331 55.803 0.142 0.000 0.869 19 Q CB -0.669 28.130 28.738 0.102 0.000 0.912 19 Q HN 0.309 8.579 8.270 -0.000 0.000 0.436 20 Q N -0.961 118.860 119.800 0.036 0.000 2.186 20 Q HA 0.286 4.626 4.340 0.001 0.000 0.241 20 Q C 0.843 176.846 176.000 0.005 0.000 0.849 20 Q CA -0.107 55.696 55.803 -0.000 0.000 1.053 20 Q CB 0.224 28.965 28.738 0.006 0.000 1.146 20 Q HN 0.346 8.616 8.270 -0.000 0.000 0.475 21 I N 0.160 120.744 120.570 0.023 0.000 2.194 21 I HA -0.398 3.773 4.170 0.001 0.000 0.246 21 I C 1.398 177.520 176.117 0.009 0.000 1.093 21 I CA 1.668 62.999 61.300 0.051 0.000 1.355 21 I CB 0.432 38.516 38.000 0.140 0.000 1.046 21 I HN 0.381 8.591 8.210 -0.000 0.000 0.413 22 E N 0.148 120.328 120.200 -0.033 0.000 2.047 22 E HA -0.286 4.064 4.350 0.001 0.000 0.191 22 E C 2.080 178.667 176.600 -0.022 0.000 0.987 22 E CA 1.151 57.531 56.400 -0.033 0.000 0.799 22 E CB -0.092 29.572 29.700 -0.061 0.000 0.752 22 E HN 0.221 8.581 8.360 -0.000 0.000 0.449 23 K N 1.216 121.602 120.400 -0.024 0.000 2.097 23 K HA -0.108 4.213 4.320 0.001 0.000 0.205 23 K C 1.675 178.270 176.600 -0.008 0.000 1.050 23 K CA 1.155 57.432 56.287 -0.016 0.000 0.938 23 K CB -0.121 32.369 32.500 -0.017 0.000 0.718 23 K HN -0.014 8.236 8.250 -0.000 0.000 0.442 24 N N 0.806 119.505 118.700 -0.001 0.000 2.036 24 N HA -0.207 4.533 4.740 0.001 0.000 0.195 24 N C 1.591 177.102 175.510 0.002 0.000 1.037 24 N CA 1.536 54.589 53.050 0.005 0.000 0.855 24 N CB -0.580 37.916 38.487 0.016 0.000 1.033 24 N HN 0.179 8.559 8.380 -0.000 0.000 0.423 25 L N 1.355 122.579 121.223 0.002 0.000 1.989 25 L HA -0.151 4.190 4.340 0.001 0.000 0.211 25 L C 2.362 179.228 176.870 -0.007 0.000 1.071 25 L CA 2.046 56.885 54.840 -0.001 0.000 0.749 25 L CB -1.247 40.812 42.059 -0.000 0.000 0.890 25 L HN 0.307 8.537 8.230 -0.000 0.000 0.431 26 S N -1.582 114.112 115.700 -0.009 0.000 2.382 26 S HA -0.184 4.286 4.470 0.001 0.000 0.228 26 S C 1.747 176.341 174.600 -0.010 0.000 1.027 26 S CA 1.058 59.252 58.200 -0.011 0.000 0.991 26 S CB -0.859 62.334 63.200 -0.012 0.000 0.823 26 S HN 0.519 8.829 8.310 -0.000 0.000 0.469 27 D N 1.587 121.982 120.400 -0.008 0.000 2.104 27 D HA -0.048 4.593 4.640 0.001 0.000 0.194 27 D C 1.891 178.186 176.300 -0.007 0.000 0.994 27 D CA 0.896 54.891 54.000 -0.007 0.000 0.830 27 D CB -0.580 40.217 40.800 -0.005 0.000 0.959 27 D HN 0.300 8.670 8.370 -0.000 0.000 0.452 28 L N 1.085 122.304 121.223 -0.006 0.000 2.042 28 L HA -0.148 4.192 4.340 0.001 0.000 0.210 28 L C 2.091 178.955 176.870 -0.010 0.000 1.076 28 L CA 1.266 56.102 54.840 -0.007 0.000 0.749 28 L CB -0.591 41.465 42.059 -0.005 0.000 0.893 28 L HN 0.021 8.251 8.230 -0.000 0.000 0.432 29 I N -0.475 120.088 120.570 -0.012 0.000 2.286 29 I HA -0.258 3.912 4.170 0.001 0.000 0.248 29 I C 2.076 178.184 176.117 -0.015 0.000 1.115 29 I CA 1.198 62.489 61.300 -0.016 0.000 1.392 29 I CB -1.400 36.589 38.000 -0.019 0.000 1.065 29 I HN 0.290 8.500 8.210 -0.000 0.000 0.418 30 D N 0.633 121.025 120.400 -0.013 0.000 2.149 30 D HA -0.125 4.515 4.640 0.001 0.000 0.201 30 D C 2.184 178.477 176.300 -0.011 0.000 0.972 30 D CA 0.720 54.712 54.000 -0.012 0.000 0.835 30 D CB -0.221 40.573 40.800 -0.011 0.000 0.966 30 D HN 0.164 8.534 8.370 -0.000 0.000 0.476 31 L N 0.229 121.446 121.223 -0.009 0.000 2.046 31 L HA -0.067 4.273 4.340 0.001 0.000 0.208 31 L C 0.692 177.557 176.870 -0.009 0.000 1.077 31 L CA 1.341 56.176 54.840 -0.008 0.000 0.747 31 L CB 0.208 42.262 42.059 -0.007 0.000 0.896 31 L HN -0.189 8.041 8.230 -0.000 0.000 0.432 32 V N 0.382 120.290 119.914 -0.010 0.000 2.384 32 V HA 0.240 4.361 4.120 0.001 0.000 0.257 32 V C -1.620 174.465 176.094 -0.014 0.000 0.969 32 V CA -0.806 61.488 62.300 -0.011 0.000 0.910 32 V CB 0.624 32.441 31.823 -0.010 0.000 1.150 32 V HN 0.097 8.287 8.190 -0.000 0.000 0.481 33 P HA -0.215 4.205 4.420 -0.000 0.000 0.218 33 P C 1.846 179.133 177.300 -0.020 0.000 1.150 33 P CA 2.028 65.118 63.100 -0.018 0.000 0.841 33 P CB 0.187 31.877 31.700 -0.017 0.000 0.784 34 S N -1.691 113.998 115.700 -0.018 0.000 2.481 34 S HA -0.026 4.444 4.470 0.001 0.000 0.231 34 S C 1.559 176.146 174.600 -0.021 0.000 0.996 34 S CA 0.660 58.849 58.200 -0.019 0.000 0.942 34 S CB -1.191 62.000 63.200 -0.015 0.000 0.768 34 S HN 0.128 8.438 8.310 -0.000 0.000 0.520 35 L N 0.897 122.108 121.223 -0.020 0.000 2.611 35 L HA 0.223 4.563 4.340 0.001 0.000 0.229 35 L C 2.345 179.198 176.870 -0.028 0.000 1.137 35 L CA -0.230 54.597 54.840 -0.021 0.000 0.901 35 L CB -0.377 41.672 42.059 -0.017 0.000 1.098 35 L HN 0.509 8.739 8.230 -0.000 0.000 0.456 36 C N 0.598 119.879 119.300 -0.032 0.000 2.376 36 C HA -0.259 4.201 4.460 0.001 0.000 0.275 36 C C 2.687 177.646 174.990 -0.051 0.000 1.200 36 C CA 2.044 61.038 59.018 -0.039 0.000 1.756 36 C CB -0.239 27.477 27.740 -0.040 0.000 2.050 36 C HN 0.703 8.933 8.230 -0.000 0.000 0.460 37 E N -0.221 119.946 120.200 -0.055 0.000 2.047 37 E HA -0.212 4.139 4.350 0.001 0.000 0.191 37 E C 1.735 178.293 176.600 -0.071 0.000 0.987 37 E CA 1.693 58.050 56.400 -0.071 0.000 0.799 37 E CB -0.214 29.445 29.700 -0.068 0.000 0.752 37 E HN 0.627 8.987 8.360 -0.000 0.000 0.449 38 D N 0.505 120.876 120.400 -0.049 0.000 2.104 38 D HA -0.165 4.475 4.640 0.001 0.000 0.194 38 D C 2.132 178.407 176.300 -0.041 0.000 0.994 38 D CA 0.891 54.868 54.000 -0.039 0.000 0.830 38 D CB -0.219 40.567 40.800 -0.023 0.000 0.959 38 D HN 0.245 8.615 8.370 -0.000 0.000 0.452 39 L N 0.258 121.459 121.223 -0.038 0.000 2.027 39 L HA -0.119 4.221 4.340 0.001 0.000 0.206 39 L C 2.592 179.433 176.870 -0.048 0.000 1.074 39 L CA 0.576 55.396 54.840 -0.033 0.000 0.745 39 L CB -0.349 41.695 42.059 -0.026 0.000 0.898 39 L HN 0.036 8.266 8.230 -0.000 0.000 0.433 40 L N -0.365 120.817 121.223 -0.067 0.000 2.187 40 L HA -0.209 4.131 4.340 0.001 0.000 0.213 40 L C 2.665 179.448 176.870 -0.145 0.000 1.100 40 L CA 1.612 56.396 54.840 -0.093 0.000 0.765 40 L CB -0.459 41.537 42.059 -0.105 0.000 0.904 40 L HN 0.442 8.672 8.230 -0.000 0.000 0.437 41 S N -2.369 113.240 115.700 -0.151 0.000 2.492 41 S HA -0.020 4.450 4.470 0.001 0.000 0.218 41 S C 1.765 176.296 174.600 -0.114 0.000 1.016 41 S CA 0.370 58.433 58.200 -0.228 0.000 0.916 41 S CB 0.174 63.247 63.200 -0.213 0.000 0.791 41 S HN 0.420 8.730 8.310 -0.000 0.000 0.513 42 S N 0.277 115.950 115.700 -0.045 0.000 2.512 42 S HA 0.359 4.829 4.470 0.001 0.000 0.216 42 S C 0.187 174.797 174.600 0.016 0.000 1.006 42 S CA -0.327 57.879 58.200 0.011 0.000 0.915 42 S CB 0.064 63.274 63.200 0.017 0.000 0.824 42 S HN 0.241 8.551 8.310 -0.000 0.000 0.497 43 V N 4.025 123.938 119.914 -0.001 0.000 2.334 43 V HA 0.316 4.437 4.120 0.001 0.000 0.267 43 V C -0.480 175.628 176.094 0.025 0.000 1.040 43 V CA -0.852 61.456 62.300 0.013 0.000 0.866 43 V CB 0.605 32.432 31.823 0.006 0.000 1.019 43 V HN 0.296 8.486 8.190 -0.000 0.000 0.468 44 D N 4.092 124.521 120.400 0.048 0.000 2.399 44 D HA 0.276 4.916 4.640 0.001 0.000 0.241 44 D C 0.055 176.402 176.300 0.079 0.000 1.133 44 D CA 0.280 54.322 54.000 0.070 0.000 0.890 44 D CB 0.882 41.726 40.800 0.073 0.000 1.201 44 D HN 0.436 8.806 8.370 -0.000 0.000 0.432 45 Q N 0.777 120.629 119.800 0.086 0.000 2.389 45 Q HA 0.383 4.724 4.340 0.001 0.000 0.277 45 Q C -2.504 173.556 176.000 0.100 0.000 1.082 45 Q CA -1.779 54.073 55.803 0.080 0.000 0.810 45 Q CB 1.864 30.625 28.738 0.037 0.000 1.374 45 Q HN 0.091 8.361 8.270 -0.000 0.000 0.422 46 P HA 0.031 4.451 4.420 -0.000 0.000 0.265 46 P C -0.450 176.872 177.300 0.037 0.000 1.187 46 P CA 0.207 63.356 63.100 0.081 0.000 0.766 46 P CB 0.422 32.063 31.700 -0.098 0.000 0.820 47 L N 2.805 124.064 121.223 0.060 0.000 2.371 47 L HA 0.275 4.615 4.340 0.001 0.000 0.272 47 L C 0.958 177.814 176.870 -0.023 0.000 1.124 47 L CA -0.120 54.739 54.840 0.033 0.000 0.816 47 L CB 0.239 42.339 42.059 0.069 0.000 1.129 47 L HN 0.252 8.482 8.230 -0.000 0.000 0.448 48 K N 3.297 123.651 120.400 -0.077 0.000 2.164 48 K HA 0.587 4.908 4.320 0.001 0.000 0.258 48 K C -0.854 175.653 176.600 -0.155 0.000 0.951 48 K CA -0.655 55.556 56.287 -0.126 0.000 0.844 48 K CB 2.173 34.564 32.500 -0.183 0.000 1.099 48 K HN 0.409 8.659 8.250 -0.000 0.000 0.435 49 I N 2.244 122.731 120.570 -0.138 0.000 2.353 49 I HA 0.298 4.468 4.170 0.001 0.000 0.293 49 I C -0.040 175.934 176.117 -0.239 0.000 0.992 49 I CA -0.291 60.914 61.300 -0.157 0.000 1.268 49 I CB 1.578 39.534 38.000 -0.075 0.000 1.387 49 I HN 0.645 8.855 8.210 -0.000 0.000 0.478 50 A N 5.795 128.363 122.820 -0.420 0.000 2.386 50 A HA 0.881 5.201 4.320 0.001 0.000 0.308 50 A C -0.678 176.740 177.584 -0.277 0.000 1.128 50 A CA -0.712 51.063 52.037 -0.438 0.000 0.789 50 A CB 1.557 20.132 19.000 -0.708 0.000 1.325 50 A HN 0.687 8.837 8.150 -0.000 0.000 0.437 51 R N 0.884 121.370 120.500 -0.023 0.000 2.343 51 R HA 0.403 4.744 4.340 0.001 0.000 0.320 51 R C -1.335 175.174 176.300 0.349 0.000 0.956 51 R CA -0.297 55.897 56.100 0.157 0.000 0.836 51 R CB 1.068 31.420 30.300 0.086 0.000 1.151 51 R HN 0.596 8.866 8.270 -0.000 0.000 0.450 52 D N 3.889 124.562 120.400 0.455 0.000 2.402 52 D HA 0.090 4.730 4.640 0.001 0.000 0.235 52 D C -0.036 176.368 176.300 0.173 0.000 1.226 52 D CA 0.093 54.291 54.000 0.329 0.000 0.918 52 D CB 0.816 41.791 40.800 0.291 0.000 1.043 52 D HN 0.656 9.026 8.370 -0.000 0.000 0.506 53 K N 1.817 122.302 120.400 0.141 0.000 2.147 53 K HA -0.089 4.232 4.320 0.001 0.000 0.205 53 K C 1.867 178.505 176.600 0.065 0.000 1.049 53 K CA 0.797 57.137 56.287 0.088 0.000 0.936 53 K CB 0.272 32.820 32.500 0.079 0.000 0.722 53 K HN 0.269 8.519 8.250 -0.000 0.000 0.446 54 V N 0.674 120.629 119.914 0.068 0.000 2.261 54 V HA -0.198 3.922 4.120 0.001 0.000 0.246 54 V C 2.049 178.166 176.094 0.039 0.000 1.047 54 V CA 1.605 63.935 62.300 0.050 0.000 1.015 54 V CB -0.203 31.651 31.823 0.052 0.000 0.642 54 V HN 0.077 8.267 8.190 -0.000 0.000 0.446 55 V N -0.165 119.776 119.914 0.046 0.000 3.506 55 V HA 0.351 4.471 4.120 0.001 0.000 0.263 55 V C 1.545 177.619 176.094 -0.034 0.000 1.203 55 V CA 0.852 63.157 62.300 0.010 0.000 1.133 55 V CB -0.504 31.337 31.823 0.029 0.000 0.802 55 V HN 0.768 8.958 8.190 -0.000 0.000 0.459 56 G N 1.359 110.157 108.800 -0.005 0.000 2.324 56 G HA2 -0.260 3.700 3.960 0.001 0.000 0.292 56 G HA3 -0.260 3.700 3.960 0.001 0.000 0.292 56 G C -0.129 174.728 174.900 -0.072 0.000 1.079 56 G CA 0.427 45.515 45.100 -0.020 0.000 1.026 56 G HN 0.507 8.797 8.290 -0.000 0.000 0.506 57 K N -0.394 119.968 120.400 -0.063 0.000 2.502 57 K HA 0.372 4.692 4.320 0.001 0.000 0.257 57 K C -1.008 175.659 176.600 0.111 0.000 0.938 57 K CA -1.124 55.072 56.287 -0.151 0.000 0.819 57 K CB 1.631 33.734 32.500 -0.661 0.000 1.333 57 K HN 0.087 8.337 8.250 -0.000 0.000 0.434 58 D N 1.398 121.884 120.400 0.143 0.000 2.313 58 D HA 0.272 4.913 4.640 0.001 0.000 0.247 58 D C -0.611 176.026 176.300 0.561 0.000 1.094 58 D CA 0.447 54.605 54.000 0.262 0.000 0.925 58 D CB 0.667 41.543 40.800 0.127 0.000 1.188 58 D HN 0.328 8.698 8.370 -0.000 0.000 0.430 59 Y N -1.774 118.700 120.300 0.290 0.000 2.625 59 Y HA 0.590 5.140 4.550 0.001 0.000 0.338 59 Y C -1.720 174.278 175.900 0.163 0.000 1.123 59 Y CA -1.308 56.964 58.100 0.287 0.000 1.046 59 Y CB 0.702 39.319 38.460 0.260 0.000 1.299 59 Y HN 0.152 8.432 8.280 -0.000 0.000 0.464 60 L N 3.129 124.482 121.223 0.216 0.000 2.322 60 L HA 0.562 4.902 4.340 0.001 0.000 0.279 60 L C -0.716 176.213 176.870 0.099 0.000 1.036 60 L CA -0.924 53.966 54.840 0.084 0.000 0.807 60 L CB 1.611 43.753 42.059 0.138 0.000 1.226 60 L HN 0.576 8.806 8.230 -0.000 0.000 0.433 61 L N 3.219 124.367 121.223 -0.126 0.000 2.295 61 L HA 0.656 4.996 4.340 0.001 0.000 0.285 61 L C -0.182 176.645 176.870 -0.072 0.000 1.035 61 L CA -0.524 54.156 54.840 -0.265 0.000 0.806 61 L CB 1.397 42.986 42.059 -0.783 0.000 1.214 61 L HN 0.818 9.048 8.230 -0.000 0.000 0.426 62 C N -0.649 118.705 119.300 0.091 0.000 3.293 62 C HA 0.337 4.798 4.460 0.001 0.000 0.362 62 C C 1.161 176.257 174.990 0.177 0.000 1.539 62 C CA -0.697 58.406 59.018 0.142 0.000 1.201 62 C CB 1.477 29.329 27.740 0.187 0.000 1.770 62 C HN 0.871 9.101 8.230 -0.000 0.000 0.440 63 D N -0.885 119.525 120.400 0.016 0.000 2.218 63 D HA -0.084 4.556 4.640 0.001 0.000 0.204 63 D C 1.363 177.515 176.300 -0.247 0.000 0.976 63 D CA 1.732 55.641 54.000 -0.153 0.000 0.853 63 D CB -0.200 40.411 40.800 -0.316 0.000 0.939 63 D HN 0.683 9.053 8.370 -0.000 0.000 0.481 64 Y N 0.094 120.343 120.300 -0.086 0.000 2.421 64 Y HA -0.054 4.496 4.550 0.000 0.000 0.292 64 Y C 1.659 177.404 175.900 -0.259 0.000 1.136 64 Y CA 0.998 58.975 58.100 -0.206 0.000 1.255 64 Y CB -0.229 38.170 38.460 -0.102 0.000 0.991 64 Y HN 0.138 8.418 8.280 -0.000 0.000 0.552 65 N N 0.240 118.838 118.700 -0.170 0.000 2.238 65 N HA 0.031 4.771 4.740 0.001 0.000 0.222 65 N C -0.093 175.339 175.510 -0.130 0.000 1.133 65 N CA -0.098 52.723 53.050 -0.382 0.000 0.854 65 N CB 0.043 37.820 38.487 -1.183 0.000 1.041 65 N HN 0.205 8.585 8.380 -0.000 0.000 0.510 66 R N 0.376 120.784 120.500 -0.154 0.000 2.428 66 R HA 0.273 4.613 4.340 0.001 0.000 0.294 66 R C -1.548 174.635 176.300 -0.195 0.000 1.000 66 R CA -0.366 55.510 56.100 -0.372 0.000 0.960 66 R CB 0.820 30.800 30.300 -0.534 0.000 1.076 66 R HN -0.040 8.230 8.270 -0.000 0.000 0.475 67 D N 2.527 122.806 120.400 -0.201 0.000 2.736 67 D HA 0.341 4.981 4.640 0.001 0.000 0.243 67 D C 0.407 176.526 176.300 -0.302 0.000 1.304 67 D CA 0.860 54.705 54.000 -0.257 0.000 0.934 67 D CB 1.557 42.123 40.800 -0.390 0.000 1.382 67 D HN 0.774 9.144 8.370 -0.000 0.000 0.571 68 G N 4.539 113.194 108.800 -0.242 0.000 2.596 68 G HA2 -0.296 3.665 3.960 0.001 0.000 0.304 68 G HA3 -0.296 3.665 3.960 0.001 0.000 0.304 68 G C 0.459 175.234 174.900 -0.208 0.000 1.189 68 G CA 0.501 45.482 45.100 -0.198 0.000 0.986 68 G HN 0.583 8.873 8.290 -0.000 0.000 0.548 69 D N 1.248 121.547 120.400 -0.168 0.000 2.395 69 D HA 0.350 4.990 4.640 0.001 0.000 0.213 69 D C 0.617 176.849 176.300 -0.114 0.000 1.110 69 D CA 0.674 54.597 54.000 -0.128 0.000 0.835 69 D CB 0.583 41.353 40.800 -0.050 0.000 0.965 69 D HN 0.270 8.640 8.370 -0.000 0.000 0.505 70 S N -0.127 115.475 115.700 -0.163 0.000 2.681 70 S HA 0.561 5.031 4.470 0.001 0.000 0.299 70 S C -0.688 173.883 174.600 -0.049 0.000 1.113 70 S CA -0.521 57.683 58.200 0.007 0.000 1.013 70 S CB 1.398 64.644 63.200 0.076 0.000 1.076 70 S HN 0.041 8.351 8.310 -0.000 0.000 0.534 71 Y N 0.278 120.748 120.300 0.284 0.000 2.477 71 Y HA 0.495 5.045 4.550 0.001 0.000 0.347 71 Y C 0.214 176.106 175.900 -0.012 0.000 0.981 71 Y CA -0.862 57.345 58.100 0.179 0.000 1.033 71 Y CB 1.406 39.953 38.460 0.144 0.000 1.245 71 Y HN 0.487 8.767 8.280 -0.000 0.000 0.455 72 R N 1.632 121.962 120.500 -0.283 0.000 2.265 72 R HA 0.396 4.737 4.340 0.001 0.000 0.314 72 R C -0.171 175.925 176.300 -0.341 0.000 1.053 72 R CA -0.240 55.466 56.100 -0.656 0.000 0.931 72 R CB 0.869 30.575 30.300 -0.991 0.000 1.024 72 R HN 0.705 8.975 8.270 -0.000 0.000 0.457 73 S N 4.895 120.291 115.700 -0.507 0.000 2.548 73 S HA 0.211 4.681 4.470 0.001 0.000 0.277 73 S C -1.482 172.874 174.600 -0.406 0.000 1.315 73 S CA -1.523 56.183 58.200 -0.824 0.000 1.050 73 S CB 1.109 63.832 63.200 -0.795 0.000 0.918 73 S HN 0.601 8.911 8.310 -0.000 0.000 0.497 74 P HA 0.069 4.489 4.420 -0.000 0.000 0.236 74 P C 0.375 177.341 177.300 -0.556 0.000 1.177 74 P CA 0.645 63.411 63.100 -0.556 0.000 0.773 74 P CB -0.027 31.074 31.700 -0.999 0.000 0.878 75 W N 1.103 122.338 121.300 -0.108 0.000 2.580 75 W HA 0.028 4.689 4.660 0.000 0.000 0.287 75 W C 2.521 179.000 176.519 -0.067 0.000 1.175 75 W CA 0.983 58.287 57.345 -0.069 0.000 1.409 75 W CB -0.951 28.479 29.460 -0.050 0.000 1.101 75 W HN -0.048 8.132 8.180 -0.000 0.000 0.558 76 S N -0.250 115.507 115.700 0.095 0.000 2.535 76 S HA 0.080 4.550 4.470 0.001 0.000 0.214 76 S C 0.855 175.445 174.600 -0.016 0.000 0.980 76 S CA 0.419 58.644 58.200 0.041 0.000 0.907 76 S CB -0.462 62.756 63.200 0.030 0.000 0.790 76 S HN 0.305 8.615 8.310 -0.000 0.000 0.510 77 N N 1.441 120.097 118.700 -0.074 0.000 2.725 77 N HA -0.158 4.583 4.740 0.001 0.000 0.249 77 N C -1.006 174.448 175.510 -0.093 0.000 1.103 77 N CA 0.871 53.866 53.050 -0.092 0.000 0.707 77 N CB -1.233 37.231 38.487 -0.038 0.000 1.043 77 N HN 0.590 8.970 8.380 -0.000 0.000 0.553 78 K N 0.243 120.576 120.400 -0.113 0.000 2.318 78 K HA 0.289 4.609 4.320 0.001 0.000 0.249 78 K C -0.541 176.000 176.600 -0.099 0.000 0.942 78 K CA -0.592 55.666 56.287 -0.048 0.000 0.808 78 K CB 1.089 33.597 32.500 0.013 0.000 1.189 78 K HN 0.048 8.298 8.250 -0.000 0.000 0.428 79 Y N 0.570 120.874 120.300 0.006 0.000 2.304 79 Y HA 0.112 4.663 4.550 0.000 0.000 0.327 79 Y C 0.285 176.219 175.900 0.057 0.000 1.209 79 Y CA 0.244 58.359 58.100 0.025 0.000 1.299 79 Y CB 1.010 39.471 38.460 0.000 0.000 1.249 79 Y HN 0.507 8.787 8.280 -0.000 0.000 0.519 80 D N 3.803 124.367 120.400 0.274 0.000 2.686 80 D HA 0.357 4.998 4.640 0.001 0.000 0.249 80 D C -2.980 173.467 176.300 0.245 0.000 1.260 80 D CA -2.397 51.740 54.000 0.228 0.000 0.910 80 D CB 1.776 42.714 40.800 0.230 0.000 1.323 80 D HN 0.054 8.424 8.370 -0.000 0.000 0.561 81 P HA 0.209 4.629 4.420 -0.000 0.000 0.269 81 P C -2.482 174.885 177.300 0.111 0.000 1.209 81 P CA -0.864 62.304 63.100 0.113 0.000 0.776 81 P CB 0.088 31.829 31.700 0.069 0.000 0.876 82 P HA 0.039 4.459 4.420 -0.000 0.000 0.269 82 P C -0.792 176.529 177.300 0.036 0.000 1.205 82 P CA 0.614 63.767 63.100 0.088 0.000 0.780 82 P CB 0.298 32.035 31.700 0.061 0.000 0.858 83 L N 1.543 122.777 121.223 0.018 0.000 2.445 83 L HA 0.234 4.575 4.340 0.001 0.000 0.262 83 L C 0.891 177.730 176.870 -0.052 0.000 0.974 83 L CA -0.238 54.554 54.840 -0.080 0.000 0.822 83 L CB 1.736 43.630 42.059 -0.275 0.000 1.339 83 L HN 0.243 8.473 8.230 -0.000 0.000 0.409 84 E N 0.280 120.441 120.200 -0.064 0.000 2.112 84 E HA -0.029 4.321 4.350 0.001 0.000 0.190 84 E C -0.145 176.430 176.600 -0.041 0.000 0.979 84 E CA 1.146 57.523 56.400 -0.038 0.000 0.814 84 E CB 0.011 29.689 29.700 -0.037 0.000 0.762 84 E HN 0.569 8.929 8.360 -0.000 0.000 0.460 85 D N -0.614 119.739 120.400 -0.078 0.000 2.940 85 D HA 0.173 4.814 4.640 0.001 0.000 0.366 85 D C 0.310 176.537 176.300 -0.121 0.000 1.446 85 D CA -0.444 53.515 54.000 -0.068 0.000 0.780 85 D CB -0.423 40.342 40.800 -0.057 0.000 1.206 85 D HN 0.053 8.423 8.370 -0.000 0.000 0.454 86 G N 0.293 108.975 108.800 -0.197 0.000 2.484 86 G HA2 0.388 4.349 3.960 0.001 0.000 0.235 86 G HA3 0.388 4.349 3.960 0.001 0.000 0.235 86 G C 0.393 175.260 174.900 -0.054 0.000 1.282 86 G CA -0.162 44.688 45.100 -0.417 0.000 0.857 86 G HN 0.522 8.812 8.290 -0.000 0.000 0.571 87 A N 3.223 126.031 122.820 -0.020 0.000 2.491 87 A HA 0.523 4.844 4.320 0.001 0.000 0.261 87 A C 0.538 178.256 177.584 0.222 0.000 1.101 87 A CA 0.158 52.254 52.037 0.097 0.000 0.772 87 A CB 0.011 19.043 19.000 0.053 0.000 1.043 87 A HN 0.564 8.714 8.150 -0.000 0.000 0.501 88 M N 3.377 123.064 119.600 0.146 0.000 2.664 88 M HA 0.456 4.937 4.480 0.001 0.000 0.314 88 M C -2.341 174.018 176.300 0.097 0.000 1.200 88 M CA -2.137 53.237 55.300 0.124 0.000 0.916 88 M CB 1.106 33.766 32.600 0.100 0.000 1.717 88 M HN 0.502 8.792 8.290 -0.000 0.000 0.470 89 P HA 0.259 4.679 4.420 -0.000 0.000 0.277 89 P C -0.332 176.997 177.300 0.047 0.000 1.240 89 P CA -0.293 62.854 63.100 0.079 0.000 0.798 89 P CB 0.415 32.155 31.700 0.067 0.000 0.979 90 S N 0.588 116.310 115.700 0.037 0.000 2.587 90 S HA 0.198 4.668 4.470 0.001 0.000 0.260 90 S C 1.515 176.119 174.600 0.007 0.000 1.353 90 S CA 0.032 58.245 58.200 0.021 0.000 0.995 90 S CB 0.010 63.219 63.200 0.015 0.000 0.912 90 S HN 0.582 8.892 8.310 -0.000 0.000 0.568 91 A N 1.147 123.970 122.820 0.005 0.000 1.908 91 A HA -0.120 4.200 4.320 0.001 0.000 0.218 91 A C 2.334 179.910 177.584 -0.014 0.000 1.181 91 A CA 1.733 53.769 52.037 -0.000 0.000 0.627 91 A CB -0.935 18.067 19.000 0.003 0.000 0.818 91 A HN 0.937 9.087 8.150 -0.000 0.000 0.445 92 R N -1.045 119.444 120.500 -0.019 0.000 2.070 92 R HA -0.132 4.208 4.340 0.001 0.000 0.233 92 R C 2.014 178.271 176.300 -0.072 0.000 1.137 92 R CA 1.786 57.864 56.100 -0.037 0.000 0.945 92 R CB -0.437 29.844 30.300 -0.032 0.000 0.845 92 R HN 0.394 8.664 8.270 -0.000 0.000 0.430 93 L N 1.123 122.296 121.223 -0.083 0.000 2.141 93 L HA -0.097 4.244 4.340 0.001 0.000 0.209 93 L C 2.470 179.282 176.870 -0.097 0.000 1.094 93 L CA 1.629 56.387 54.840 -0.137 0.000 0.763 93 L CB -0.607 41.391 42.059 -0.102 0.000 0.908 93 L HN 0.121 8.351 8.230 -0.000 0.000 0.437 94 R N 0.100 120.571 120.500 -0.047 0.000 2.081 94 R HA -0.155 4.186 4.340 0.001 0.000 0.235 94 R C 2.196 178.474 176.300 -0.037 0.000 1.131 94 R CA 1.722 57.803 56.100 -0.031 0.000 0.960 94 R CB -0.350 29.944 30.300 -0.010 0.000 0.856 94 R HN 0.286 8.556 8.270 -0.000 0.000 0.436 95 K N -0.295 120.083 120.400 -0.036 0.000 2.063 95 K HA -0.152 4.168 4.320 0.001 0.000 0.208 95 K C 1.885 178.461 176.600 -0.040 0.000 1.048 95 K CA 1.527 57.797 56.287 -0.028 0.000 0.928 95 K CB -0.328 32.160 32.500 -0.021 0.000 0.713 95 K HN 0.098 8.348 8.250 -0.000 0.000 0.442 96 L N 1.657 122.833 121.223 -0.078 0.000 2.093 96 L HA -0.143 4.197 4.340 0.001 0.000 0.208 96 L C 2.175 178.997 176.870 -0.081 0.000 1.085 96 L CA 1.713 56.492 54.840 -0.101 0.000 0.755 96 L CB -0.348 41.579 42.059 -0.220 0.000 0.904 96 L HN 0.184 8.414 8.230 -0.000 0.000 0.435 97 E N -1.150 118.997 120.200 -0.088 0.000 2.072 97 E HA -0.169 4.181 4.350 0.001 0.000 0.191 97 E C 2.073 178.634 176.600 -0.065 0.000 0.985 97 E CA 1.410 57.764 56.400 -0.078 0.000 0.801 97 E CB 0.043 29.701 29.700 -0.069 0.000 0.750 97 E HN 0.357 8.717 8.360 -0.000 0.000 0.452 98 V N 1.244 121.135 119.914 -0.039 0.000 2.343 98 V HA -0.246 3.875 4.120 0.001 0.000 0.247 98 V C 2.339 178.453 176.094 0.034 0.000 1.051 98 V CA 2.175 64.476 62.300 0.000 0.000 1.036 98 V CB -0.546 31.293 31.823 0.025 0.000 0.654 98 V HN 0.344 8.534 8.190 -0.000 0.000 0.451 99 E N 0.043 120.256 120.200 0.020 0.000 2.058 99 E HA -0.242 4.108 4.350 0.001 0.000 0.194 99 E C 2.276 178.908 176.600 0.054 0.000 0.997 99 E CA 1.470 57.890 56.400 0.033 0.000 0.801 99 E CB -0.253 29.457 29.700 0.016 0.000 0.746 99 E HN 0.580 8.940 8.360 -0.000 0.000 0.450 100 A N 1.089 123.946 122.820 0.061 0.000 1.930 100 A HA -0.182 4.138 4.320 0.001 0.000 0.217 100 A C 1.940 179.645 177.584 0.202 0.000 1.175 100 A CA 1.349 53.478 52.037 0.154 0.000 0.627 100 A CB -0.536 18.548 19.000 0.140 0.000 0.815 100 A HN 0.250 8.400 8.150 -0.000 0.000 0.443 101 N N 0.452 119.198 118.700 0.077 0.000 2.166 101 N HA -0.143 4.597 4.740 0.001 0.000 0.186 101 N C 1.290 176.942 175.510 0.237 0.000 1.019 101 N CA 1.357 54.447 53.050 0.066 0.000 0.856 101 N CB -0.348 38.020 38.487 -0.198 0.000 0.993 101 N HN 0.459 8.839 8.380 -0.000 0.000 0.426 102 N N 1.330 120.151 118.700 0.201 0.000 2.142 102 N HA -0.072 4.669 4.740 0.001 0.000 0.186 102 N C 1.732 177.316 175.510 0.123 0.000 1.023 102 N CA 1.010 54.168 53.050 0.181 0.000 0.852 102 N CB -0.407 38.152 38.487 0.120 0.000 0.998 102 N HN 0.204 8.584 8.380 -0.000 0.000 0.424 103 A N 0.308 123.167 122.820 0.065 0.000 1.898 103 A HA -0.038 4.282 4.320 0.001 0.000 0.216 103 A C 1.874 179.405 177.584 -0.089 0.000 1.181 103 A CA 0.981 52.982 52.037 -0.060 0.000 0.620 103 A CB -0.805 18.084 19.000 -0.185 0.000 0.819 103 A HN 0.197 8.347 8.150 -0.000 0.000 0.442 104 F N -0.100 119.904 119.950 0.090 0.000 2.558 104 F HA -0.025 4.502 4.527 0.000 0.000 0.298 104 F C 1.974 177.904 175.800 0.217 0.000 1.119 104 F CA 0.941 59.015 58.000 0.123 0.000 1.451 104 F CB -0.080 38.923 39.000 0.005 0.000 1.091 104 F HN 0.192 8.492 8.300 -0.000 0.000 0.563 105 D N 0.187 120.786 120.400 0.331 0.000 2.117 105 D HA -0.160 4.481 4.640 0.001 0.000 0.197 105 D C 2.057 178.485 176.300 0.214 0.000 0.987 105 D CA 1.288 55.456 54.000 0.280 0.000 0.829 105 D CB -0.050 40.910 40.800 0.266 0.000 0.961 105 D HN 0.342 8.712 8.370 -0.000 0.000 0.460 106 Q N -1.096 118.805 119.800 0.169 0.000 2.123 106 Q HA -0.161 4.179 4.340 0.001 0.000 0.199 106 Q C 2.043 178.141 176.000 0.163 0.000 0.966 106 Q CA 0.864 56.738 55.803 0.119 0.000 0.845 106 Q CB -0.261 28.516 28.738 0.064 0.000 0.907 106 Q HN 0.429 8.699 8.270 -0.000 0.000 0.439 107 Y N 1.932 122.283 120.300 0.085 0.000 2.128 107 Y HA -0.304 4.246 4.550 0.001 0.000 0.284 107 Y C 2.527 178.621 175.900 0.323 0.000 1.154 107 Y CA 1.938 60.146 58.100 0.179 0.000 1.149 107 Y CB -0.080 38.472 38.460 0.152 0.000 0.976 107 Y HN -0.066 8.214 8.280 -0.000 0.000 0.505 108 R N 0.210 120.991 120.500 0.469 0.000 2.094 108 R HA -0.240 4.100 4.340 0.001 0.000 0.239 108 R C 1.996 178.461 176.300 0.275 0.000 1.137 108 R CA 2.346 58.681 56.100 0.393 0.000 0.943 108 R CB -0.798 29.659 30.300 0.261 0.000 0.850 108 R HN 0.428 8.698 8.270 -0.000 0.000 0.433 109 D N 0.088 120.587 120.400 0.164 0.000 2.123 109 D HA -0.137 4.503 4.640 0.001 0.000 0.196 109 D C 2.085 178.394 176.300 0.015 0.000 0.992 109 D CA 1.166 55.217 54.000 0.084 0.000 0.833 109 D CB -0.053 40.778 40.800 0.051 0.000 0.954 109 D HN 0.289 8.659 8.370 -0.000 0.000 0.455 110 L N -1.077 120.124 121.223 -0.035 0.000 2.093 110 L HA -0.162 4.179 4.340 0.001 0.000 0.208 110 L C 1.945 178.614 176.870 -0.335 0.000 1.085 110 L CA 1.000 55.725 54.840 -0.192 0.000 0.755 110 L CB -0.334 41.577 42.059 -0.247 0.000 0.904 110 L HN 0.168 8.398 8.230 -0.000 0.000 0.435 111 Y N -2.522 117.611 120.300 -0.279 0.000 2.479 111 Y HA 0.028 4.578 4.550 0.000 0.000 0.283 111 Y C 1.791 177.351 175.900 -0.568 0.000 1.109 111 Y CA 0.623 58.426 58.100 -0.494 0.000 1.239 111 Y CB 0.351 38.340 38.460 -0.784 0.000 1.108 111 Y HN -0.030 8.250 8.280 -0.000 0.000 0.548 112 F N -0.624 119.276 119.950 -0.083 0.000 2.717 112 F HA 0.156 4.683 4.527 0.000 0.000 0.297 112 F C 0.507 176.260 175.800 -0.078 0.000 1.113 112 F CA -0.090 57.841 58.000 -0.114 0.000 1.319 112 F CB 0.098 39.028 39.000 -0.116 0.000 1.097 112 F HN -0.178 8.122 8.300 -0.000 0.000 0.595 113 E N 0.807 121.063 120.200 0.093 0.000 2.360 113 E HA -0.115 4.235 4.350 0.001 0.000 0.238 113 E C 0.577 177.213 176.600 0.059 0.000 1.186 113 E CA 0.360 56.783 56.400 0.038 0.000 0.719 113 E CB -1.602 28.092 29.700 -0.010 0.000 1.236 113 E HN 0.637 8.997 8.360 -0.000 0.000 0.386 114 G N -1.655 107.198 108.800 0.089 0.000 2.356 114 G HA2 0.472 4.433 3.960 0.001 0.000 0.266 114 G HA3 0.472 4.433 3.960 0.001 0.000 0.266 114 G C 0.264 175.205 174.900 0.070 0.000 1.312 114 G CA -0.019 45.123 45.100 0.070 0.000 0.922 114 G HN 1.033 9.323 8.290 -0.000 0.000 0.480 115 G N -2.204 106.626 108.800 0.049 0.000 2.697 115 G HA2 0.288 4.249 3.960 0.001 0.000 0.240 115 G HA3 0.288 4.249 3.960 0.001 0.000 0.240 115 G C -0.189 174.726 174.900 0.026 0.000 1.346 115 G CA 0.653 45.766 45.100 0.021 0.000 0.887 115 G HN 1.900 10.190 8.290 -0.000 0.000 0.569 116 V N 0.122 120.047 119.914 0.018 0.000 2.876 116 V HA 0.846 4.966 4.120 0.001 0.000 0.312 116 V C 0.405 176.542 176.094 0.072 0.000 1.085 116 V CA 0.160 62.506 62.300 0.076 0.000 0.945 116 V CB 1.959 33.840 31.823 0.096 0.000 1.017 116 V HN 1.886 10.075 8.190 -0.000 0.000 0.428 117 S N 1.602 117.397 115.700 0.158 0.000 2.599 117 S HA 0.931 5.401 4.470 0.001 0.000 0.287 117 S C -0.810 173.870 174.600 0.133 0.000 1.105 117 S CA -0.699 57.581 58.200 0.133 0.000 0.899 117 S CB 2.187 65.495 63.200 0.180 0.000 1.100 117 S HN 0.706 9.016 8.310 -0.000 0.000 0.482 118 S N 0.106 115.783 115.700 -0.038 0.000 2.537 118 S HA 0.648 5.118 4.470 0.001 0.000 0.271 118 S C -1.565 172.750 174.600 -0.476 0.000 1.148 118 S CA -0.701 57.306 58.200 -0.321 0.000 0.868 118 S CB 1.704 64.730 63.200 -0.290 0.000 1.115 118 S HN 0.823 9.133 8.310 -0.000 0.000 0.461 119 V N 3.015 122.509 119.914 -0.700 0.000 2.577 119 V HA 0.539 4.659 4.120 0.001 0.000 0.303 119 V C -1.758 173.916 176.094 -0.699 0.000 1.042 119 V CA -0.606 61.371 62.300 -0.537 0.000 0.872 119 V CB 1.201 32.847 31.823 -0.294 0.000 0.998 119 V HN 0.902 9.092 8.190 -0.000 0.000 0.423 120 Y N 4.712 125.008 120.300 -0.007 0.000 2.376 120 Y HA 0.740 5.291 4.550 0.000 0.000 0.340 120 Y C -0.073 175.933 175.900 0.177 0.000 0.965 120 Y CA -0.817 57.325 58.100 0.070 0.000 1.078 120 Y CB 1.704 40.239 38.460 0.125 0.000 1.193 120 Y HN 0.405 8.685 8.280 -0.000 0.000 0.452 121 L N 2.873 124.267 121.223 0.285 0.000 2.322 121 L HA 0.649 4.989 4.340 0.001 0.000 0.269 121 L C -1.083 176.030 176.870 0.405 0.000 1.012 121 L CA -0.933 54.033 54.840 0.210 0.000 0.815 121 L CB 1.938 43.994 42.059 -0.005 0.000 1.295 121 L HN 0.845 9.075 8.230 -0.000 0.000 0.438 122 W N -0.304 121.061 121.300 0.107 0.000 3.213 122 W HA 0.465 5.125 4.660 0.000 0.000 0.318 122 W C -1.341 175.249 176.519 0.119 0.000 1.248 122 W CA -0.825 56.577 57.345 0.095 0.000 1.187 122 W CB 0.501 30.021 29.460 0.101 0.000 1.403 122 W HN 0.230 8.410 8.180 -0.000 0.000 0.556 123 D N 2.425 122.972 120.400 0.245 0.000 2.414 123 D HA 0.335 4.975 4.640 0.001 0.000 0.242 123 D C -0.071 176.309 176.300 0.132 0.000 1.129 123 D CA 0.416 54.498 54.000 0.137 0.000 0.885 123 D CB 1.353 42.225 40.800 0.120 0.000 1.198 123 D HN 0.385 8.755 8.370 -0.000 0.000 0.437 124 L N 1.070 122.321 121.223 0.047 0.000 2.256 124 L HA 0.161 4.501 4.340 0.001 0.000 0.261 124 L C 1.358 178.218 176.870 -0.016 0.000 1.022 124 L CA -0.912 53.945 54.840 0.029 0.000 0.828 124 L CB 1.442 43.479 42.059 -0.038 0.000 1.374 124 L HN 0.214 8.444 8.230 -0.000 0.000 0.436 125 D N -0.620 119.745 120.400 -0.059 0.000 2.087 125 D HA -0.185 4.455 4.640 0.001 0.000 0.192 125 D C 1.194 177.278 176.300 -0.361 0.000 0.993 125 D CA 1.819 55.680 54.000 -0.231 0.000 0.828 125 D CB 0.227 40.860 40.800 -0.278 0.000 0.968 125 D HN 0.367 8.737 8.370 -0.000 0.000 0.448 126 H N -1.452 117.611 119.070 -0.012 0.000 2.469 126 H HA 0.516 5.072 4.556 0.000 0.000 0.286 126 H C 0.868 176.168 175.328 -0.048 0.000 1.106 126 H CA 0.408 56.443 56.048 -0.022 0.000 1.055 126 H CB 0.768 30.511 29.762 -0.031 0.000 1.618 126 H HN 0.207 8.487 8.280 -0.000 0.000 0.559 127 G N 0.740 109.550 108.800 0.017 0.000 2.591 127 G HA2 0.201 4.161 3.960 0.001 0.000 0.104 127 G HA3 0.201 4.161 3.960 0.001 0.000 0.104 127 G C -1.652 173.263 174.900 0.024 0.000 1.097 127 G CA -0.260 44.822 45.100 -0.029 0.000 1.076 127 G HN 0.194 8.484 8.290 -0.000 0.000 0.485 128 F N -1.194 118.617 119.950 -0.232 0.000 2.741 128 F HA 0.932 5.460 4.527 0.000 0.000 0.311 128 F C -0.298 175.226 175.800 -0.460 0.000 1.149 128 F CA -0.817 56.993 58.000 -0.318 0.000 0.930 128 F CB 1.098 39.931 39.000 -0.277 0.000 1.312 128 F HN 1.360 9.660 8.300 -0.000 0.000 0.450 129 A N 0.338 122.792 122.820 -0.611 0.000 2.389 129 A HA 1.067 5.387 4.320 0.001 0.000 0.293 129 A C -0.415 176.604 177.584 -0.942 0.000 1.186 129 A CA -0.646 50.820 52.037 -0.952 0.000 0.828 129 A CB 1.302 19.475 19.000 -1.378 0.000 1.369 129 A HN 2.140 10.290 8.150 -0.000 0.000 0.446 130 G N -1.992 106.314 108.800 -0.824 0.000 2.523 130 G HA2 0.596 4.557 3.960 0.001 0.000 0.291 130 G HA3 0.596 4.557 3.960 0.001 0.000 0.291 130 G C -1.966 172.838 174.900 -0.159 0.000 1.450 130 G CA 0.196 45.072 45.100 -0.374 0.000 0.790 130 G HN 1.721 10.011 8.290 -0.000 0.000 0.496 131 V N 0.080 120.010 119.914 0.027 0.000 2.656 131 V HA 0.794 4.915 4.120 0.001 0.000 0.307 131 V C -1.157 174.881 176.094 -0.094 0.000 1.051 131 V CA -0.908 61.360 62.300 -0.053 0.000 0.893 131 V CB 1.549 33.314 31.823 -0.096 0.000 0.999 131 V HN 0.631 8.821 8.190 -0.000 0.000 0.426 132 I N 7.208 127.684 120.570 -0.156 0.000 2.355 132 I HA 0.493 4.664 4.170 0.001 0.000 0.288 132 I C -0.419 175.648 176.117 -0.083 0.000 0.999 132 I CA 0.038 61.163 61.300 -0.292 0.000 1.163 132 I CB 1.571 39.164 38.000 -0.678 0.000 1.316 132 I HN 0.426 8.636 8.210 -0.000 0.000 0.454 133 L N 7.273 128.461 121.223 -0.058 0.000 2.329 133 L HA 0.677 5.018 4.340 0.001 0.000 0.279 133 L C -0.634 176.258 176.870 0.036 0.000 1.014 133 L CA -0.561 54.301 54.840 0.037 0.000 0.814 133 L CB 1.542 43.654 42.059 0.089 0.000 1.257 133 L HN 0.427 8.657 8.230 -0.000 0.000 0.424 134 I N 2.847 123.454 120.570 0.061 0.000 2.533 134 I HA 0.396 4.566 4.170 0.001 0.000 0.290 134 I C -0.690 175.430 176.117 0.004 0.000 1.056 134 I CA -0.669 60.607 61.300 -0.040 0.000 1.057 134 I CB 2.356 40.230 38.000 -0.210 0.000 1.240 134 I HN 0.408 8.618 8.210 -0.000 0.000 0.423 135 K N 5.442 125.824 120.400 -0.029 0.000 2.463 135 K HA 0.586 4.906 4.320 0.001 0.000 0.255 135 K C -1.262 175.349 176.600 0.017 0.000 0.942 135 K CA -0.657 55.666 56.287 0.059 0.000 0.814 135 K CB 1.364 33.903 32.500 0.065 0.000 1.122 135 K HN 0.402 8.652 8.250 -0.000 0.000 0.425 136 K N 2.717 123.181 120.400 0.107 0.000 2.541 136 K HA 0.720 5.040 4.320 0.001 0.000 0.250 136 K C -1.650 175.062 176.600 0.187 0.000 0.950 136 K CA -0.486 55.866 56.287 0.109 0.000 0.805 136 K CB 1.775 34.336 32.500 0.103 0.000 1.166 136 K HN 0.590 8.840 8.250 -0.000 0.000 0.430 137 A N 2.872 125.773 122.820 0.135 0.000 2.306 137 A HA 0.697 5.017 4.320 0.001 0.000 0.314 137 A C 0.305 177.964 177.584 0.125 0.000 1.164 137 A CA -0.217 51.900 52.037 0.134 0.000 0.822 137 A CB 0.750 19.803 19.000 0.090 0.000 1.130 137 A HN 0.831 8.981 8.150 -0.000 0.000 0.496 138 G N 0.511 109.391 108.800 0.134 0.000 2.569 138 G HA2 0.355 4.316 3.960 0.001 0.000 0.249 138 G HA3 0.355 4.316 3.960 0.001 0.000 0.249 138 G C 0.243 175.191 174.900 0.079 0.000 1.216 138 G CA 0.321 45.488 45.100 0.111 0.000 0.845 138 G HN 0.814 9.104 8.290 -0.000 0.000 0.568 139 D N -1.202 119.235 120.400 0.062 0.000 2.349 139 D HA 0.152 4.793 4.640 0.001 0.000 0.224 139 D C 1.662 177.987 176.300 0.042 0.000 1.029 139 D CA 0.628 54.656 54.000 0.046 0.000 0.879 139 D CB -0.162 40.659 40.800 0.035 0.000 0.906 139 D HN 1.025 9.395 8.370 -0.000 0.000 0.528 140 G N -0.449 108.381 108.800 0.051 0.000 2.159 140 G HA2 -0.298 3.662 3.960 0.001 0.000 0.256 140 G HA3 -0.298 3.662 3.960 0.001 0.000 0.256 140 G C 0.403 175.327 174.900 0.039 0.000 0.977 140 G CA 0.217 45.346 45.100 0.047 0.000 0.652 140 G HN 0.432 8.722 8.290 -0.000 0.000 0.531 141 S N 0.300 116.021 115.700 0.035 0.000 2.559 141 S HA 0.343 4.814 4.470 0.001 0.000 0.282 141 S C 1.298 175.914 174.600 0.026 0.000 1.336 141 S CA 0.824 59.040 58.200 0.026 0.000 1.037 141 S CB 0.469 63.681 63.200 0.020 0.000 0.853 141 S HN 0.619 8.929 8.310 -0.000 0.000 0.523 142 K N 0.963 121.375 120.400 0.020 0.000 3.020 142 K HA -0.239 4.081 4.320 0.001 0.000 0.266 142 K C -0.114 176.502 176.600 0.027 0.000 1.067 142 K CA 0.987 57.285 56.287 0.019 0.000 0.780 142 K CB -1.470 31.039 32.500 0.015 0.000 1.220 142 K HN 0.773 9.023 8.250 -0.000 0.000 0.483 143 K N -1.328 119.090 120.400 0.029 0.000 3.209 143 K HA -0.204 4.116 4.320 0.001 0.000 0.289 143 K C -0.186 176.441 176.600 0.045 0.000 1.191 143 K CA 1.350 57.657 56.287 0.034 0.000 0.851 143 K CB -1.058 31.459 32.500 0.029 0.000 1.242 143 K HN 0.292 8.542 8.250 -0.000 0.000 0.480 144 I N 1.512 122.113 120.570 0.052 0.000 2.339 144 I HA 0.203 4.373 4.170 0.001 0.000 0.290 144 I C 0.252 176.417 176.117 0.080 0.000 0.994 144 I CA -0.597 60.745 61.300 0.071 0.000 1.191 144 I CB 1.472 39.517 38.000 0.076 0.000 1.343 144 I HN -0.060 8.150 8.210 -0.000 0.000 0.458 145 K N 4.076 124.530 120.400 0.090 0.000 2.258 145 K HA 0.616 4.936 4.320 0.001 0.000 0.284 145 K C 0.222 176.906 176.600 0.140 0.000 1.051 145 K CA -0.102 56.245 56.287 0.098 0.000 0.923 145 K CB 1.554 34.102 32.500 0.081 0.000 1.046 145 K HN 0.857 9.107 8.250 -0.000 0.000 0.474 146 G N 0.687 109.579 108.800 0.153 0.000 2.571 146 G HA2 0.579 4.540 3.960 0.001 0.000 0.304 146 G HA3 0.579 4.540 3.960 0.001 0.000 0.304 146 G C -1.528 173.512 174.900 0.234 0.000 1.314 146 G CA -0.474 44.749 45.100 0.206 0.000 0.975 146 G HN 0.672 8.962 8.290 -0.000 0.000 0.485 147 C N 2.237 121.731 119.300 0.323 0.000 2.880 147 C HA 0.847 5.307 4.460 0.001 0.000 0.320 147 C C -1.846 173.422 174.990 0.464 0.000 1.176 147 C CA -0.791 58.448 59.018 0.368 0.000 1.390 147 C CB 1.256 29.194 27.740 0.329 0.000 1.846 147 C HN 0.812 9.042 8.230 -0.000 0.000 0.478 148 W N 5.208 126.639 121.300 0.218 0.000 2.619 148 W HA 0.558 5.218 4.660 0.000 0.000 0.327 148 W C -1.659 174.953 176.519 0.155 0.000 1.027 148 W CA -0.423 57.026 57.345 0.174 0.000 1.233 148 W CB 1.491 31.075 29.460 0.206 0.000 1.370 148 W HN 0.786 8.966 8.180 -0.000 0.000 0.453 149 D N 3.252 123.753 120.400 0.169 0.000 2.308 149 D HA 0.341 4.981 4.640 0.001 0.000 0.242 149 D C -0.687 175.627 176.300 0.024 0.000 1.059 149 D CA -0.209 53.904 54.000 0.190 0.000 0.830 149 D CB 2.031 42.935 40.800 0.173 0.000 1.161 149 D HN -0.025 8.345 8.370 -0.000 0.000 0.494 150 S N 1.564 117.391 115.700 0.211 0.000 2.437 150 S HA 0.534 5.004 4.470 0.001 0.000 0.305 150 S C -0.347 174.234 174.600 -0.032 0.000 1.109 150 S CA -0.618 57.639 58.200 0.094 0.000 1.099 150 S CB 0.453 63.876 63.200 0.371 0.000 1.004 150 S HN 0.336 8.646 8.310 -0.000 0.000 0.475 151 I N 4.656 125.111 120.570 -0.191 0.000 2.495 151 I HA 0.265 4.436 4.170 0.001 0.000 0.277 151 I C -0.659 175.312 176.117 -0.242 0.000 1.045 151 I CA -0.450 60.784 61.300 -0.110 0.000 1.135 151 I CB 0.766 38.767 38.000 0.003 0.000 1.241 151 I HN 0.519 8.729 8.210 -0.000 0.000 0.469 152 H N 5.778 124.835 119.070 -0.022 0.000 2.581 152 H HA 0.415 4.972 4.556 0.001 0.000 0.308 152 H C -0.630 174.638 175.328 -0.099 0.000 1.040 152 H CA -0.506 55.507 56.048 -0.059 0.000 1.231 152 H CB 2.110 31.809 29.762 -0.105 0.000 1.396 152 H HN 0.175 8.455 8.280 -0.000 0.000 0.467 153 V N 4.794 124.719 119.914 0.019 0.000 2.370 153 V HA 0.176 4.296 4.120 0.001 0.000 0.283 153 V C 0.148 176.217 176.094 -0.041 0.000 1.023 153 V CA -0.689 61.580 62.300 -0.052 0.000 0.857 153 V CB 2.015 33.816 31.823 -0.038 0.000 0.985 153 V HN 0.418 8.608 8.190 -0.000 0.000 0.443 154 V N 4.924 124.775 119.914 -0.106 0.000 2.604 154 V HA 0.597 4.717 4.120 0.001 0.000 0.305 154 V C -0.402 175.558 176.094 -0.224 0.000 1.043 154 V CA -0.323 61.910 62.300 -0.112 0.000 0.888 154 V CB 1.923 33.704 31.823 -0.070 0.000 0.995 154 V HN 1.026 9.216 8.190 -0.000 0.000 0.429 155 E N 4.789 124.870 120.200 -0.198 0.000 2.158 155 E HA 0.622 4.972 4.350 0.001 0.000 0.271 155 E C -1.854 174.519 176.600 -0.379 0.000 0.911 155 E CA -0.567 55.662 56.400 -0.286 0.000 0.767 155 E CB 2.057 31.669 29.700 -0.147 0.000 1.120 155 E HN 0.537 8.897 8.360 -0.000 0.000 0.405 156 V N 5.060 124.587 119.914 -0.646 0.000 2.409 156 V HA 0.228 4.348 4.120 0.001 0.000 0.291 156 V C -0.675 175.050 176.094 -0.615 0.000 1.020 156 V CA -0.712 61.079 62.300 -0.848 0.000 0.848 156 V CB 1.545 32.459 31.823 -1.516 0.000 0.990 156 V HN 0.716 8.906 8.190 -0.000 0.000 0.430 157 Q N 3.944 123.503 119.800 -0.402 0.000 2.400 157 Q HA 0.454 4.794 4.340 0.001 0.000 0.255 157 Q C -0.340 175.566 176.000 -0.156 0.000 1.008 157 Q CA -0.326 55.360 55.803 -0.195 0.000 0.841 157 Q CB 1.985 30.671 28.738 -0.087 0.000 1.220 157 Q HN 0.701 8.971 8.270 -0.000 0.000 0.474 164 T N -2.275 112.295 114.554 0.027 0.000 2.865 164 T HA 0.909 5.260 4.350 0.001 0.000 0.294 164 T C -0.533 174.198 174.700 0.052 0.000 1.119 164 T CA -0.032 62.097 62.100 0.048 0.000 1.007 164 T CB 1.803 70.701 68.868 0.051 0.000 1.225 164 T HN 1.880 10.120 8.240 -0.000 0.000 0.515 165 A N 0.648 123.511 122.820 0.072 0.000 2.556 165 A HA 0.739 5.060 4.320 0.001 0.000 0.294 165 A C -1.464 176.072 177.584 -0.081 0.000 1.091 165 A CA -0.827 51.180 52.037 -0.051 0.000 0.704 165 A CB 1.221 20.133 19.000 -0.147 0.000 1.300 165 A HN 1.151 9.301 8.150 -0.000 0.000 0.406 166 H N -0.060 118.845 119.070 -0.275 0.000 2.488 166 H HA 0.644 5.201 4.556 0.001 0.000 0.322 166 H C -1.788 173.309 175.328 -0.384 0.000 1.078 166 H CA 0.026 55.959 56.048 -0.191 0.000 1.260 166 H CB 0.491 30.183 29.762 -0.118 0.000 1.425 166 H HN 0.490 8.770 8.280 -0.000 0.000 0.471 167 Y N 3.331 123.336 120.300 -0.492 0.000 2.352 167 Y HA 0.298 4.848 4.550 0.001 0.000 0.339 167 Y C 0.066 175.714 175.900 -0.420 0.000 0.992 167 Y CA -0.836 57.051 58.100 -0.354 0.000 1.100 167 Y CB 1.490 39.820 38.460 -0.216 0.000 1.192 167 Y HN 0.492 8.772 8.280 -0.000 0.000 0.458 168 K N 3.795 124.123 120.400 -0.120 0.000 2.413 168 K HA 0.612 4.932 4.320 0.001 0.000 0.257 168 K C -2.016 174.571 176.600 -0.023 0.000 0.946 168 K CA -0.870 55.380 56.287 -0.063 0.000 0.823 168 K CB 1.108 33.604 32.500 -0.008 0.000 1.109 168 K HN 0.638 8.888 8.250 -0.000 0.000 0.427 169 L N 3.410 124.632 121.223 -0.002 0.000 2.349 169 L HA 0.491 4.831 4.340 0.001 0.000 0.278 169 L C -1.327 175.566 176.870 0.038 0.000 0.996 169 L CA 0.174 55.024 54.840 0.017 0.000 0.825 169 L CB 2.082 44.152 42.059 0.017 0.000 1.243 169 L HN 0.571 8.801 8.230 -0.000 0.000 0.412 170 T N 3.396 117.977 114.554 0.046 0.000 2.809 170 T HA 0.565 4.915 4.350 0.001 0.000 0.296 170 T C -0.561 174.169 174.700 0.050 0.000 1.015 170 T CA -0.413 61.716 62.100 0.049 0.000 0.954 170 T CB 0.918 69.817 68.868 0.052 0.000 0.950 170 T HN 0.623 8.863 8.240 -0.000 0.000 0.450 171 S N 2.513 118.240 115.700 0.045 0.000 2.473 171 S HA 0.647 5.118 4.470 0.001 0.000 0.307 171 S C -0.080 174.473 174.600 -0.080 0.000 1.094 171 S CA -0.768 57.422 58.200 -0.017 0.000 1.070 171 S CB 1.546 64.822 63.200 0.126 0.000 1.019 171 S HN 0.624 8.934 8.310 -0.000 0.000 0.480 172 T N 2.521 116.987 114.554 -0.148 0.000 2.807 172 T HA 0.565 4.915 4.350 0.001 0.000 0.279 172 T C -0.590 173.979 174.700 -0.219 0.000 0.993 172 T CA -0.476 61.544 62.100 -0.134 0.000 0.970 172 T CB 1.230 70.054 68.868 -0.073 0.000 0.950 172 T HN 0.340 8.580 8.240 -0.000 0.000 0.441 173 V N 4.681 124.445 119.914 -0.251 0.000 2.495 173 V HA 0.507 4.627 4.120 0.001 0.000 0.298 173 V C -0.245 175.588 176.094 -0.435 0.000 1.031 173 V CA -0.810 61.249 62.300 -0.402 0.000 0.871 173 V CB 1.666 33.157 31.823 -0.553 0.000 0.988 173 V HN 0.851 9.041 8.190 -0.000 0.000 0.432 174 M N 5.652 124.986 119.600 -0.444 0.000 2.336 174 M HA 0.644 5.124 4.480 0.001 0.000 0.342 174 M C -1.184 174.691 176.300 -0.709 0.000 1.128 174 M CA -0.684 54.312 55.300 -0.506 0.000 1.016 174 M CB 1.933 34.441 32.600 -0.154 0.000 1.665 174 M HN 0.467 8.757 8.290 -0.000 0.000 0.445 175 L N 3.517 124.184 121.223 -0.926 0.000 2.439 175 L HA 0.627 4.968 4.340 0.001 0.000 0.270 175 L C -2.390 174.085 176.870 -0.659 0.000 0.972 175 L CA 0.024 54.446 54.840 -0.696 0.000 0.836 175 L CB 1.411 42.983 42.059 -0.812 0.000 1.255 175 L HN 0.689 8.919 8.230 -0.000 0.000 0.404 176 W N 6.412 127.745 121.300 0.055 0.000 2.600 176 W HA 0.753 5.413 4.660 0.000 0.000 0.325 176 W C -1.264 175.330 176.519 0.125 0.000 1.034 176 W CA -0.547 56.861 57.345 0.104 0.000 1.226 176 W CB 1.539 31.043 29.460 0.073 0.000 1.379 176 W HN 0.270 8.450 8.180 -0.000 0.000 0.466 177 L N 4.735 126.165 121.223 0.345 0.000 2.410 177 L HA 0.576 4.916 4.340 0.001 0.000 0.270 177 L C -0.461 176.546 176.870 0.228 0.000 0.983 177 L CA -0.994 54.009 54.840 0.272 0.000 0.822 177 L CB 1.771 44.002 42.059 0.288 0.000 1.285 177 L HN 0.404 8.634 8.230 -0.000 0.000 0.409 178 Q N 1.684 121.592 119.800 0.180 0.000 2.309 178 Q HA 0.670 5.011 4.340 0.001 0.000 0.273 178 Q C -1.334 174.729 176.000 0.105 0.000 1.040 178 Q CA -0.683 55.202 55.803 0.136 0.000 0.834 178 Q CB 3.062 31.873 28.738 0.122 0.000 1.345 178 Q HN 0.496 8.766 8.270 -0.000 0.000 0.414 179 T N 0.791 115.397 114.554 0.086 0.000 2.894 179 T HA 0.477 4.827 4.350 0.001 0.000 0.309 179 T C -1.217 173.515 174.700 0.054 0.000 1.208 179 T CA -0.403 61.737 62.100 0.067 0.000 1.016 179 T CB 1.153 70.060 68.868 0.066 0.000 1.192 179 T HN 0.582 8.822 8.240 -0.000 0.000 0.491 180 N N 2.247 120.973 118.700 0.043 0.000 2.541 180 N HA 0.272 5.012 4.740 0.001 0.000 0.297 180 N C -0.655 174.872 175.510 0.029 0.000 1.503 180 N CA -0.317 52.754 53.050 0.034 0.000 0.919 180 N CB 0.639 39.144 38.487 0.029 0.000 1.305 180 N HN 0.504 8.884 8.380 -0.000 0.000 0.501 181 K N -0.170 120.248 120.400 0.031 0.000 2.319 181 K HA 0.058 4.378 4.320 0.001 0.000 0.265 181 K C 1.325 177.939 176.600 0.023 0.000 1.000 181 K CA 0.134 56.437 56.287 0.026 0.000 0.943 181 K CB 0.610 33.126 32.500 0.027 0.000 0.950 181 K HN 0.169 8.419 8.250 -0.000 0.000 0.485 182 T N -1.031 113.534 114.554 0.019 0.000 3.139 182 T HA -0.073 4.277 4.350 0.001 0.000 0.267 182 T C 1.691 176.402 174.700 0.018 0.000 1.164 182 T CA 0.552 62.662 62.100 0.017 0.000 1.075 182 T CB -0.497 68.380 68.868 0.014 0.000 0.904 182 T HN 0.686 8.926 8.240 -0.000 0.000 0.540 183 G N 1.436 110.248 108.800 0.020 0.000 2.900 183 G HA2 -0.127 3.834 3.960 0.001 0.000 0.212 183 G HA3 -0.127 3.834 3.960 0.001 0.000 0.212 183 G C 1.120 176.031 174.900 0.019 0.000 1.359 183 G CA 2.288 47.400 45.100 0.020 0.000 0.800 183 G HN 1.124 9.414 8.290 -0.000 0.000 0.680 184 S N -3.613 112.100 115.700 0.022 0.000 1.226 184 S HA -0.041 4.429 4.470 0.001 0.000 0.253 184 S C 2.013 176.629 174.600 0.026 0.000 0.581 184 S CA 1.599 59.814 58.200 0.026 0.000 0.983 184 S CB -1.622 61.596 63.200 0.030 0.000 0.923 184 S HN 2.590 10.900 8.310 -0.000 0.000 0.488 185 G N 1.639 110.453 108.800 0.023 0.000 2.582 185 G HA2 -0.305 3.656 3.960 0.001 0.000 0.300 185 G HA3 -0.305 3.656 3.960 0.001 0.000 0.300 185 G C -0.037 174.880 174.900 0.028 0.000 1.300 185 G CA 0.627 45.741 45.100 0.023 0.000 0.959 185 G HN 1.673 9.963 8.290 -0.000 0.000 0.548 186 T N 1.136 115.706 114.554 0.027 0.000 2.834 186 T HA 0.455 4.806 4.350 0.001 0.000 0.298 186 T C 0.416 175.140 174.700 0.039 0.000 0.966 186 T CA 0.907 63.026 62.100 0.033 0.000 1.141 186 T CB 0.733 69.619 68.868 0.029 0.000 0.905 186 T HN 0.613 8.853 8.240 -0.000 0.000 0.535 187 M N 4.418 124.049 119.600 0.050 0.000 2.197 187 M HA 0.402 4.882 4.480 0.001 0.000 0.301 187 M C -1.293 175.054 176.300 0.078 0.000 0.987 187 M CA -0.703 54.633 55.300 0.060 0.000 0.921 187 M CB 1.160 33.798 32.600 0.064 0.000 1.569 187 M HN 0.397 8.687 8.290 -0.000 0.000 0.431 188 N N 5.037 123.784 118.700 0.079 0.000 2.399 188 N HA 0.482 5.223 4.740 0.001 0.000 0.284 188 N C -2.332 173.238 175.510 0.101 0.000 1.025 188 N CA -0.402 52.712 53.050 0.106 0.000 0.885 188 N CB 1.988 40.538 38.487 0.105 0.000 1.339 188 N HN 0.710 9.090 8.380 -0.000 0.000 0.487 189 L N 3.259 124.564 121.223 0.136 0.000 2.377 189 L HA 0.825 5.165 4.340 0.001 0.000 0.270 189 L C -0.236 176.731 176.870 0.162 0.000 0.991 189 L CA -0.209 54.685 54.840 0.090 0.000 0.851 189 L CB 1.062 43.192 42.059 0.120 0.000 1.218 189 L HN 0.650 8.880 8.230 -0.000 0.000 0.420 190 G N 1.646 110.481 108.800 0.058 0.000 2.649 190 G HA2 0.782 4.742 3.960 0.001 0.000 0.290 190 G HA3 0.782 4.742 3.960 0.001 0.000 0.290 190 G C -0.688 174.052 174.900 -0.267 0.000 1.426 190 G CA -0.039 45.073 45.100 0.020 0.000 0.794 190 G HN 1.134 9.424 8.290 -0.000 0.000 0.483 191 G N -1.049 107.272 108.800 -0.798 0.000 2.291 191 G HA2 0.627 4.587 3.960 0.001 0.000 0.249 191 G HA3 0.627 4.587 3.960 0.001 0.000 0.249 191 G C -0.369 174.154 174.900 -0.628 0.000 1.340 191 G CA 0.746 45.486 45.100 -0.599 0.000 1.017 191 G HN 2.408 10.698 8.290 -0.000 0.000 0.470 192 S N -1.407 114.102 115.700 -0.318 0.000 2.588 192 S HA 0.812 5.283 4.470 0.001 0.000 0.269 192 S C -1.268 173.240 174.600 -0.153 0.000 1.157 192 S CA -0.850 57.196 58.200 -0.257 0.000 0.824 192 S CB 1.879 64.957 63.200 -0.204 0.000 1.126 192 S HN 1.172 9.482 8.310 -0.000 0.000 0.464 193 L N 0.988 122.123 121.223 -0.147 0.000 2.381 193 L HA 0.738 5.078 4.340 0.001 0.000 0.268 193 L C -0.674 176.142 176.870 -0.090 0.000 0.997 193 L CA -0.579 54.202 54.840 -0.099 0.000 0.818 193 L CB 2.614 44.623 42.059 -0.084 0.000 1.310 193 L HN 0.823 9.053 8.230 -0.000 0.000 0.416 194 T N 2.389 116.909 114.554 -0.055 0.000 2.841 194 T HA 0.664 5.015 4.350 0.001 0.000 0.283 194 T C -0.628 174.063 174.700 -0.016 0.000 1.000 194 T CA -0.792 61.286 62.100 -0.037 0.000 0.977 194 T CB 1.772 70.627 68.868 -0.021 0.000 0.979 194 T HN 0.378 8.618 8.240 -0.000 0.000 0.446 195 R N 1.702 122.200 120.500 -0.002 0.000 2.808 195 R HA 0.587 4.927 4.340 0.001 0.000 0.272 195 R C -1.093 175.224 176.300 0.028 0.000 0.995 195 R CA -0.898 55.210 56.100 0.014 0.000 0.917 195 R CB 2.341 32.654 30.300 0.021 0.000 1.217 195 R HN 0.646 8.916 8.270 -0.000 0.000 0.471 196 Q N 1.288 121.106 119.800 0.029 0.000 2.359 196 Q HA 0.621 4.961 4.340 0.001 0.000 0.274 196 Q C -1.465 174.553 176.000 0.031 0.000 1.074 196 Q CA -0.477 55.346 55.803 0.033 0.000 0.810 196 Q CB 2.582 31.339 28.738 0.032 0.000 1.342 196 Q HN 0.554 8.824 8.270 -0.000 0.000 0.427 197 M N 1.752 121.368 119.600 0.027 0.000 2.550 197 M HA 0.484 4.964 4.480 0.001 0.000 0.292 197 M C -1.504 174.799 176.300 0.006 0.000 1.221 197 M CA -0.302 55.009 55.300 0.018 0.000 0.873 197 M CB 2.827 35.434 32.600 0.013 0.000 1.727 197 M HN 0.578 8.868 8.290 -0.000 0.000 0.459 198 E N 1.446 121.648 120.200 0.003 0.000 2.343 198 E HA 0.717 5.067 4.350 0.001 0.000 0.270 198 E C -1.638 174.931 176.600 -0.052 0.000 0.895 198 E CA -0.955 55.420 56.400 -0.041 0.000 0.767 198 E CB 2.993 32.730 29.700 0.063 0.000 1.248 198 E HN 0.405 8.765 8.360 -0.000 0.000 0.440 199 K N 1.245 121.537 120.400 -0.179 0.000 2.610 199 K HA 0.174 4.494 4.320 0.001 0.000 0.267 199 K C -2.112 174.470 176.600 -0.031 0.000 0.943 199 K CA -0.480 55.779 56.287 -0.048 0.000 0.862 199 K CB 1.221 33.708 32.500 -0.022 0.000 1.376 199 K HN 0.330 8.580 8.250 -0.000 0.000 0.412 200 D N 2.606 123.080 120.400 0.123 0.000 2.177 200 D HA 0.292 4.933 4.640 0.001 0.000 0.247 200 D C -0.777 175.615 176.300 0.154 0.000 1.063 200 D CA -0.148 53.965 54.000 0.188 0.000 0.867 200 D CB 1.981 42.894 40.800 0.188 0.000 1.168 200 D HN 0.475 8.845 8.370 -0.000 0.000 0.445 201 E N 0.065 120.394 120.200 0.215 0.000 2.383 201 E HA 0.269 4.619 4.350 0.001 0.000 0.275 201 E C -1.094 175.591 176.600 0.142 0.000 0.918 201 E CA -0.640 55.845 56.400 0.143 0.000 0.764 201 E CB 1.722 31.464 29.700 0.070 0.000 1.252 201 E HN 0.142 8.502 8.360 -0.000 0.000 0.449 202 T N 1.148 115.745 114.554 0.071 0.000 2.919 202 T HA 0.265 4.616 4.350 0.001 0.000 0.302 202 T C -0.423 174.296 174.700 0.032 0.000 1.031 202 T CA -0.371 61.756 62.100 0.046 0.000 1.127 202 T CB 0.650 69.531 68.868 0.021 0.000 0.952 202 T HN 0.170 8.410 8.240 -0.000 0.000 0.540 203 V N 3.445 123.359 119.914 -0.000 0.000 2.417 203 V HA 0.751 4.872 4.120 0.001 0.000 0.291 203 V C 0.122 176.181 176.094 -0.058 0.000 1.024 203 V CA -0.534 61.723 62.300 -0.072 0.000 0.861 203 V CB 1.176 32.894 31.823 -0.174 0.000 0.985 203 V HN 1.171 9.361 8.190 -0.000 0.000 0.436 204 S N 1.799 117.465 115.700 -0.057 0.000 2.703 204 S HA 0.371 4.841 4.470 0.001 0.000 0.273 204 S C 0.123 174.706 174.600 -0.029 0.000 1.178 204 S CA -0.644 57.536 58.200 -0.034 0.000 0.838 204 S CB 1.519 64.707 63.200 -0.019 0.000 1.178 204 S HN 0.402 8.712 8.310 -0.000 0.000 0.494 205 D N 1.968 122.357 120.400 -0.018 0.000 2.106 205 D HA -0.094 4.546 4.640 0.001 0.000 0.191 205 D C 2.190 178.482 176.300 -0.014 0.000 0.997 205 D CA 2.410 56.402 54.000 -0.013 0.000 0.834 205 D CB -0.610 40.185 40.800 -0.009 0.000 0.956 205 D HN 0.664 9.034 8.370 -0.000 0.000 0.448 206 S N -1.381 114.310 115.700 -0.014 0.000 2.461 206 S HA 0.030 4.500 4.470 0.001 0.000 0.228 206 S C 1.274 175.862 174.600 -0.019 0.000 1.005 206 S CA 0.186 58.377 58.200 -0.015 0.000 0.942 206 S CB 0.311 63.504 63.200 -0.013 0.000 0.776 206 S HN 0.012 8.322 8.310 -0.000 0.000 0.514 207 S N 3.385 119.071 115.700 -0.023 0.000 2.112 207 S HA 0.428 4.899 4.470 0.001 0.000 0.151 207 S C -2.803 171.773 174.600 -0.039 0.000 1.723 207 S CA -1.558 56.624 58.200 -0.029 0.000 1.263 207 S CB 0.671 63.855 63.200 -0.027 0.000 1.194 207 S HN 0.298 8.608 8.310 -0.000 0.000 0.419 208 P HA 0.204 4.624 4.420 -0.000 0.000 0.274 208 P C 0.773 178.087 177.300 0.023 0.000 1.256 208 P CA -0.287 62.793 63.100 -0.034 0.000 0.795 208 P CB 0.538 32.241 31.700 0.004 0.000 1.038 209 H N 0.410 119.567 119.070 0.145 0.000 2.357 209 H HA -0.123 4.433 4.556 0.001 0.000 0.296 209 H C 1.847 177.269 175.328 0.156 0.000 1.108 209 H CA 1.621 57.817 56.048 0.246 0.000 1.273 209 H CB -0.368 29.614 29.762 0.367 0.000 1.367 209 H HN 0.270 8.550 8.280 -0.000 0.000 0.498 210 I N 0.392 121.094 120.570 0.221 0.000 2.315 210 I HA -0.170 4.000 4.170 0.001 0.000 0.248 210 I C 2.721 178.852 176.117 0.024 0.000 1.117 210 I CA 1.002 62.379 61.300 0.129 0.000 1.404 210 I CB -1.285 36.758 38.000 0.071 0.000 1.071 210 I HN 0.117 8.327 8.210 -0.000 0.000 0.419 211 A N 1.350 124.168 122.820 -0.004 0.000 1.873 211 A HA -0.198 4.122 4.320 0.001 0.000 0.215 211 A C 2.109 179.643 177.584 -0.084 0.000 1.186 211 A CA 1.682 53.687 52.037 -0.053 0.000 0.616 211 A CB -0.646 18.328 19.000 -0.042 0.000 0.823 211 A HN 0.395 8.545 8.150 -0.000 0.000 0.442 212 N N 0.382 119.019 118.700 -0.105 0.000 2.043 212 N HA -0.136 4.604 4.740 0.001 0.000 0.193 212 N C 1.665 176.965 175.510 -0.350 0.000 1.037 212 N CA 1.797 54.675 53.050 -0.287 0.000 0.851 212 N CB -0.546 37.660 38.487 -0.467 0.000 1.027 212 N HN 0.574 8.954 8.380 -0.000 0.000 0.422 213 I N 0.677 121.119 120.570 -0.212 0.000 2.226 213 I HA -0.158 4.012 4.170 0.001 0.000 0.245 213 I C 2.460 178.575 176.117 -0.003 0.000 1.100 213 I CA 1.158 62.404 61.300 -0.090 0.000 1.374 213 I CB -0.736 37.331 38.000 0.113 0.000 1.057 213 I HN 0.140 8.350 8.210 -0.000 0.000 0.413 214 G N 1.034 109.833 108.800 -0.002 0.000 2.514 214 G HA2 -0.261 3.700 3.960 0.001 0.000 0.217 214 G HA3 -0.261 3.700 3.960 0.001 0.000 0.217 214 G C 1.791 176.645 174.900 -0.077 0.000 1.198 214 G CA 0.672 45.716 45.100 -0.092 0.000 0.780 214 G HN 0.292 8.582 8.290 -0.000 0.000 0.565 215 R N -0.276 120.178 120.500 -0.077 0.000 2.091 215 R HA 0.047 4.387 4.340 0.001 0.000 0.238 215 R C 2.699 178.964 176.300 -0.058 0.000 1.136 215 R CA 0.924 56.994 56.100 -0.050 0.000 0.959 215 R CB -0.536 29.727 30.300 -0.061 0.000 0.856 215 R HN 0.325 8.595 8.270 -0.000 0.000 0.437 216 L N 0.196 121.357 121.223 -0.103 0.000 1.989 216 L HA -0.218 4.122 4.340 0.001 0.000 0.211 216 L C 2.389 179.204 176.870 -0.092 0.000 1.071 216 L CA 1.250 56.031 54.840 -0.099 0.000 0.749 216 L CB -0.347 41.629 42.059 -0.140 0.000 0.890 216 L HN 0.045 8.275 8.230 -0.000 0.000 0.431 217 V N -0.332 119.499 119.914 -0.138 0.000 2.343 217 V HA -0.321 3.799 4.120 0.001 0.000 0.247 217 V C 2.414 178.397 176.094 -0.184 0.000 1.051 217 V CA 2.084 64.203 62.300 -0.301 0.000 1.036 217 V CB -0.502 31.077 31.823 -0.408 0.000 0.654 217 V HN 0.526 8.716 8.190 -0.000 0.000 0.451 218 E N 0.149 120.320 120.200 -0.049 0.000 2.031 218 E HA -0.278 4.072 4.350 0.001 0.000 0.193 218 E C 1.911 178.529 176.600 0.030 0.000 0.994 218 E CA 1.781 58.233 56.400 0.086 0.000 0.800 218 E CB -0.125 29.697 29.700 0.202 0.000 0.752 218 E HN 0.601 8.961 8.360 -0.000 0.000 0.447 219 D N 0.282 120.694 120.400 0.021 0.000 2.104 219 D HA -0.213 4.427 4.640 0.001 0.000 0.194 219 D C 1.926 178.245 176.300 0.033 0.000 0.994 219 D CA 1.439 55.453 54.000 0.024 0.000 0.830 219 D CB -0.376 40.430 40.800 0.010 0.000 0.959 219 D HN 0.228 8.598 8.370 -0.000 0.000 0.452 220 M N 0.818 120.437 119.600 0.030 0.000 2.080 220 M HA -0.159 4.321 4.480 0.001 0.000 0.260 220 M C 1.867 178.245 176.300 0.131 0.000 1.068 220 M CA 1.683 57.028 55.300 0.076 0.000 1.109 220 M CB -0.173 32.484 32.600 0.095 0.000 1.342 220 M HN -0.034 8.256 8.290 -0.000 0.000 0.405 221 E N -0.770 119.519 120.200 0.148 0.000 2.107 221 E HA -0.184 4.167 4.350 0.001 0.000 0.191 221 E C 1.644 178.331 176.600 0.145 0.000 0.982 221 E CA 1.148 57.694 56.400 0.244 0.000 0.809 221 E CB -0.006 29.877 29.700 0.304 0.000 0.756 221 E HN 0.549 8.909 8.360 -0.000 0.000 0.459 222 N N 0.988 119.711 118.700 0.039 0.000 2.069 222 N HA -0.193 4.547 4.740 0.001 0.000 0.191 222 N C 1.571 177.122 175.510 0.069 0.000 1.031 222 N CA 1.173 54.240 53.050 0.028 0.000 0.852 222 N CB -0.254 38.245 38.487 0.020 0.000 1.018 222 N HN 0.088 8.468 8.380 -0.000 0.000 0.423 223 K N 0.753 121.194 120.400 0.067 0.000 2.009 223 K HA -0.027 4.294 4.320 0.001 0.000 0.210 223 K C 1.939 178.581 176.600 0.070 0.000 1.049 223 K CA 1.151 57.476 56.287 0.062 0.000 0.929 223 K CB -0.223 32.309 32.500 0.053 0.000 0.714 223 K HN 0.100 8.350 8.250 -0.000 0.000 0.440 224 I N 0.647 121.269 120.570 0.087 0.000 2.286 224 I HA -0.278 3.893 4.170 0.001 0.000 0.248 224 I C 2.712 178.874 176.117 0.075 0.000 1.115 224 I CA 1.022 62.360 61.300 0.063 0.000 1.392 224 I CB -0.317 37.715 38.000 0.054 0.000 1.065 224 I HN 0.282 8.492 8.210 -0.000 0.000 0.418 225 R N 0.598 121.201 120.500 0.171 0.000 2.083 225 R HA -0.220 4.121 4.340 0.001 0.000 0.237 225 R C 2.464 178.845 176.300 0.135 0.000 1.137 225 R CA 2.117 58.360 56.100 0.239 0.000 0.951 225 R CB -0.342 30.117 30.300 0.265 0.000 0.851 225 R HN 0.239 8.509 8.270 -0.000 0.000 0.434 226 S N -0.650 115.110 115.700 0.101 0.000 2.368 226 S HA -0.109 4.361 4.470 0.001 0.000 0.225 226 S C 1.722 176.363 174.600 0.068 0.000 1.030 226 S CA 1.897 60.146 58.200 0.081 0.000 0.999 226 S CB -0.241 62.998 63.200 0.064 0.000 0.844 226 S HN 0.526 8.836 8.310 -0.000 0.000 0.459 227 T N 2.704 117.287 114.554 0.049 0.000 2.821 227 T HA 0.079 4.429 4.350 0.001 0.000 0.267 227 T C 1.731 176.444 174.700 0.022 0.000 1.046 227 T CA 1.277 63.395 62.100 0.031 0.000 1.139 227 T CB -0.359 68.519 68.868 0.017 0.000 0.871 227 T HN 0.315 8.555 8.240 -0.000 0.000 0.454 228 L N 1.453 122.671 121.223 -0.008 0.000 2.042 228 L HA -0.152 4.189 4.340 0.001 0.000 0.210 228 L C 2.702 179.544 176.870 -0.046 0.000 1.076 228 L CA 1.318 56.112 54.840 -0.076 0.000 0.749 228 L CB -0.694 41.208 42.059 -0.262 0.000 0.893 228 L HN 0.390 8.620 8.230 -0.000 0.000 0.432 229 N N 0.143 118.883 118.700 0.066 0.000 2.069 229 N HA -0.242 4.498 4.740 0.001 0.000 0.191 229 N C 1.734 177.354 175.510 0.183 0.000 1.031 229 N CA 1.671 54.859 53.050 0.231 0.000 0.852 229 N CB 0.084 38.707 38.487 0.227 0.000 1.018 229 N HN 0.447 8.827 8.380 -0.000 0.000 0.423 230 E N -0.012 120.251 120.200 0.104 0.000 2.072 230 E HA -0.123 4.228 4.350 0.001 0.000 0.191 230 E C 2.050 178.675 176.600 0.042 0.000 0.985 230 E CA 0.758 57.205 56.400 0.078 0.000 0.801 230 E CB 0.138 29.870 29.700 0.053 0.000 0.750 230 E HN 0.400 8.760 8.360 -0.000 0.000 0.452 231 I N -0.039 120.544 120.570 0.021 0.000 2.277 231 I HA -0.185 3.985 4.170 0.001 0.000 0.243 231 I C 2.036 178.091 176.117 -0.103 0.000 1.094 231 I CA 1.383 62.667 61.300 -0.027 0.000 1.393 231 I CB -1.015 36.974 38.000 -0.020 0.000 1.078 231 I HN 0.117 8.327 8.210 -0.000 0.000 0.417 232 Y N 0.469 120.533 120.300 -0.393 0.000 2.184 232 Y HA -0.136 4.414 4.550 0.000 0.000 0.290 232 Y C 2.363 177.921 175.900 -0.569 0.000 1.129 232 Y CA 1.713 59.420 58.100 -0.655 0.000 1.144 232 Y CB -0.685 37.030 38.460 -1.242 0.000 0.995 232 Y HN 0.027 8.307 8.280 -0.000 0.000 0.513 233 F N -2.414 117.636 119.950 0.166 0.000 2.731 233 F HA 0.280 4.807 4.527 0.000 0.000 0.298 233 F C 2.083 177.918 175.800 0.058 0.000 1.106 233 F CA 0.360 58.419 58.000 0.097 0.000 1.329 233 F CB -0.179 38.874 39.000 0.088 0.000 1.100 233 F HN -0.050 8.250 8.300 -0.000 0.000 0.592 234 G N 0.101 108.991 108.800 0.149 0.000 2.760 234 G HA2 -0.045 3.915 3.960 0.001 0.000 0.214 234 G HA3 -0.045 3.915 3.960 0.001 0.000 0.214 234 G C 1.403 176.327 174.900 0.040 0.000 1.212 234 G CA 0.140 45.295 45.100 0.092 0.000 0.858 234 G HN -0.022 8.268 8.290 -0.000 0.000 0.611 235 K N 0.671 121.074 120.400 0.005 0.000 2.002 235 K HA -0.084 4.236 4.320 0.001 0.000 0.209 235 K C 2.819 179.396 176.600 -0.040 0.000 1.048 235 K CA 2.273 58.547 56.287 -0.022 0.000 0.930 235 K CB -0.861 31.615 32.500 -0.040 0.000 0.714 235 K HN 0.395 8.645 8.250 -0.000 0.000 0.438 236 T N -1.411 113.097 114.554 -0.077 0.000 2.788 236 T HA -0.131 4.219 4.350 0.001 0.000 0.268 236 T C 1.941 176.620 174.700 -0.034 0.000 1.044 236 T CA 1.468 63.515 62.100 -0.088 0.000 1.139 236 T CB -0.245 68.524 68.868 -0.166 0.000 0.867 236 T HN 0.082 8.322 8.240 -0.000 0.000 0.454 237 K N 1.558 121.960 120.400 0.004 0.000 2.057 237 K HA -0.093 4.227 4.320 0.001 0.000 0.207 237 K C 1.902 178.516 176.600 0.023 0.000 1.049 237 K CA 1.703 58.011 56.287 0.035 0.000 0.931 237 K CB -0.748 31.800 32.500 0.081 0.000 0.714 237 K HN 0.315 8.565 8.250 -0.000 0.000 0.440 238 D N 0.243 120.654 120.400 0.018 0.000 2.123 238 D HA -0.154 4.487 4.640 0.001 0.000 0.196 238 D C 1.909 178.210 176.300 0.002 0.000 0.992 238 D CA 1.320 55.327 54.000 0.012 0.000 0.833 238 D CB -0.144 40.662 40.800 0.010 0.000 0.954 238 D HN 0.287 8.657 8.370 -0.000 0.000 0.455 239 I N 0.276 120.841 120.570 -0.008 0.000 2.179 239 I HA -0.238 3.932 4.170 0.001 0.000 0.242 239 I C 2.450 178.562 176.117 -0.008 0.000 1.088 239 I CA 0.605 61.897 61.300 -0.013 0.000 1.357 239 I CB -0.257 37.726 38.000 -0.028 0.000 1.051 239 I HN -0.107 8.103 8.210 -0.000 0.000 0.409 240 V N 1.371 121.282 119.914 -0.005 0.000 2.282 240 V HA -0.317 3.803 4.120 0.001 0.000 0.249 240 V C 2.117 178.214 176.094 0.006 0.000 1.057 240 V CA 2.167 64.468 62.300 0.002 0.000 1.032 240 V CB -0.884 30.944 31.823 0.009 0.000 0.645 240 V HN 0.468 8.658 8.190 -0.000 0.000 0.447 241 N N 0.739 119.445 118.700 0.010 0.000 2.348 241 N HA -0.104 4.636 4.740 0.001 0.000 0.185 241 N C 1.593 177.108 175.510 0.008 0.000 1.019 241 N CA 1.473 54.529 53.050 0.012 0.000 0.880 241 N CB -0.435 38.061 38.487 0.015 0.000 0.965 241 N HN 0.563 8.943 8.380 -0.000 0.000 0.437 242 G N -0.590 108.213 108.800 0.004 0.000 3.088 242 G HA2 0.122 4.083 3.960 0.001 0.000 0.217 242 G HA3 0.122 4.083 3.960 0.001 0.000 0.217 242 G C 1.432 176.333 174.900 0.001 0.000 1.159 242 G CA -0.296 44.805 45.100 0.002 0.000 0.760 242 G HN 0.151 8.441 8.290 -0.000 0.000 0.550 243 L N -0.501 120.723 121.223 0.001 0.000 1.994 243 L HA 0.097 4.437 4.340 0.001 0.000 0.208 243 L C 1.934 178.804 176.870 0.001 0.000 1.071 243 L CA 1.145 55.985 54.840 -0.000 0.000 0.745 243 L CB -0.123 41.936 42.059 -0.000 0.000 0.892 243 L HN 0.153 8.383 8.230 -0.000 0.000 0.431 244 R N 0.000 120.502 120.500 0.003 0.000 2.786 244 R HA 0.000 4.340 4.340 0.001 0.000 0.208 244 R CA 0.000 56.103 56.100 0.004 0.000 0.921 244 R CB 0.000 30.303 30.300 0.005 0.000 0.687 244 R HN 0.000 8.270 8.270 -0.000 0.000 0.535