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 3osd_1_A DATA FIRST_RESID 27 DATA SEQUENCE GSAQEEQSAN EVAVSYSKSL KAAEXDSLQL PVDADGYITI FDGKTFNGWR DATA SEQUENCE GYGKDRVPSK WTIEDGCIKF NGSGGGEAQD GDGGDLIFAH KFKNFELEXE DATA SEQUENCE WKVSKGGNSG IFYLAQEVTS KDKDGNDVLE PIYISAPEYQ VLDNDNHPDA DATA SEQUENCE KLGKDNNRQS ASLYDXIPAV PQNAKPFGEW NKAKIXVYKG TVVHGQNDEN DATA SEQUENCE VLEYHLWTKQ WTDLLQASKF SQDKWPLAFE LLNNCGGENH EGFIGXQDHG DATA SEQUENCE DDVWFRNIRV KVLD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 27 G HA2 0.000 3.960 3.960 -0.000 0.000 0.244 27 G HA3 0.000 3.958 3.960 -0.003 0.000 0.244 27 G C 0.000 174.901 174.900 0.002 0.000 0.946 27 G CA 0.000 45.102 45.100 0.003 0.000 0.502 28 S N 0.788 116.489 115.700 0.003 0.000 2.593 28 S HA 0.564 5.032 4.470 -0.003 0.000 0.269 28 S C 1.767 176.369 174.600 0.002 0.000 1.334 28 S CA 0.922 59.124 58.200 0.002 0.000 1.015 28 S CB 1.467 64.669 63.200 0.003 0.000 0.912 28 S HN 1.862 10.172 8.310 -0.000 0.000 0.541 29 A N 1.114 123.934 122.820 0.001 0.000 1.908 29 A HA -0.159 4.159 4.320 -0.003 0.000 0.218 29 A C 2.266 179.850 177.584 0.001 0.000 1.181 29 A CA 2.099 54.136 52.037 0.000 0.000 0.627 29 A CB -1.381 17.618 19.000 -0.002 0.000 0.818 29 A HN 0.939 9.089 8.150 -0.000 0.000 0.445 30 Q N 0.100 119.901 119.800 0.002 0.000 2.096 30 Q HA -0.213 4.125 4.340 -0.003 0.000 0.204 30 Q C 1.805 177.809 176.000 0.006 0.000 0.982 30 Q CA 2.425 58.231 55.803 0.004 0.000 0.850 30 Q CB -0.354 28.387 28.738 0.005 0.000 0.901 30 Q HN 0.778 9.048 8.270 -0.000 0.000 0.422 31 E N -0.363 119.841 120.200 0.006 0.000 2.107 31 E HA -0.164 4.184 4.350 -0.003 0.000 0.191 31 E C 1.986 178.590 176.600 0.007 0.000 0.982 31 E CA 1.107 57.511 56.400 0.007 0.000 0.809 31 E CB -0.017 29.687 29.700 0.006 0.000 0.756 31 E HN 0.486 8.846 8.360 -0.000 0.000 0.459 32 E N 0.890 121.093 120.200 0.005 0.000 2.072 32 E HA -0.215 4.133 4.350 -0.003 0.000 0.191 32 E C 2.145 178.749 176.600 0.006 0.000 0.985 32 E CA 0.797 57.200 56.400 0.005 0.000 0.801 32 E CB 0.007 29.709 29.700 0.003 0.000 0.750 32 E HN 0.192 8.552 8.360 -0.000 0.000 0.452 33 Q N 0.540 120.343 119.800 0.005 0.000 2.045 33 Q HA -0.206 4.132 4.340 -0.003 0.000 0.206 33 Q C 2.182 178.188 176.000 0.010 0.000 0.991 33 Q CA 2.007 57.814 55.803 0.006 0.000 0.851 33 Q CB -0.016 28.724 28.738 0.004 0.000 0.911 33 Q HN 0.126 8.396 8.270 -0.000 0.000 0.418 34 S N 0.368 116.075 115.700 0.011 0.000 2.400 34 S HA -0.186 4.282 4.470 -0.003 0.000 0.232 34 S C 1.893 176.503 174.600 0.016 0.000 1.025 34 S CA 0.999 59.208 58.200 0.015 0.000 0.993 34 S CB -0.329 62.880 63.200 0.014 0.000 0.808 34 S HN 0.567 8.877 8.310 -0.000 0.000 0.478 35 A N 2.158 124.986 122.820 0.013 0.000 1.969 35 A HA -0.020 4.298 4.320 -0.003 0.000 0.218 35 A C 1.506 179.100 177.584 0.015 0.000 1.169 35 A CA 1.050 53.095 52.037 0.014 0.000 0.635 35 A CB -0.266 18.741 19.000 0.011 0.000 0.810 35 A HN 0.419 8.569 8.150 -0.000 0.000 0.445 36 N N 0.801 119.510 118.700 0.015 0.000 2.327 36 N HA 0.148 4.886 4.740 -0.003 0.000 0.231 36 N C -0.631 174.891 175.510 0.020 0.000 1.130 36 N CA 0.220 53.279 53.050 0.016 0.000 0.845 36 N CB 0.353 38.848 38.487 0.013 0.000 1.073 36 N HN 0.620 9.000 8.380 -0.000 0.000 0.496 37 E N -0.103 120.110 120.200 0.022 0.000 2.312 37 E HA 0.493 4.841 4.350 -0.003 0.000 0.267 37 E C -0.777 175.841 176.600 0.031 0.000 0.894 37 E CA -0.973 55.444 56.400 0.027 0.000 0.773 37 E CB 2.821 32.537 29.700 0.026 0.000 1.241 37 E HN -0.057 8.303 8.360 -0.000 0.000 0.432 38 V N -1.449 118.487 119.914 0.037 0.000 2.823 38 V HA 0.847 4.965 4.120 -0.003 0.000 0.312 38 V C -0.388 175.734 176.094 0.046 0.000 1.072 38 V CA -1.144 61.180 62.300 0.040 0.000 0.937 38 V CB 1.573 33.421 31.823 0.042 0.000 1.013 38 V HN 0.759 8.949 8.190 -0.000 0.000 0.430 39 A N 3.042 125.890 122.820 0.047 0.000 2.404 39 A HA 0.675 4.993 4.320 -0.003 0.000 0.273 39 A C -0.206 177.413 177.584 0.059 0.000 1.144 39 A CA -0.261 51.810 52.037 0.057 0.000 0.806 39 A CB 0.179 19.209 19.000 0.051 0.000 1.080 39 A HN 1.354 9.504 8.150 -0.000 0.000 0.509 40 V N 3.988 123.945 119.914 0.073 0.000 2.376 40 V HA 0.329 4.447 4.120 -0.003 0.000 0.287 40 V C 0.578 176.765 176.094 0.155 0.000 1.015 40 V CA -0.322 62.000 62.300 0.037 0.000 0.834 40 V CB 1.305 33.123 31.823 -0.009 0.000 1.001 40 V HN 1.070 9.260 8.190 -0.000 0.000 0.428 41 S N 5.306 121.133 115.700 0.212 0.000 2.579 41 S HA 0.624 5.092 4.470 -0.003 0.000 0.275 41 S C -0.664 174.075 174.600 0.232 0.000 1.345 41 S CA -0.238 58.062 58.200 0.168 0.000 1.031 41 S CB 0.646 63.877 63.200 0.053 0.000 0.892 41 S HN 1.040 9.350 8.310 -0.000 0.000 0.529 42 Y N -1.086 119.169 120.300 -0.075 0.000 2.609 42 Y HA 0.726 5.274 4.550 -0.003 0.000 0.336 42 Y C -0.743 175.069 175.900 -0.147 0.000 1.129 42 Y CA -1.028 56.961 58.100 -0.184 0.000 1.040 42 Y CB 0.699 38.976 38.460 -0.306 0.000 1.310 42 Y HN 0.853 9.133 8.280 -0.000 0.000 0.460 43 S N 0.985 116.610 115.700 -0.126 0.000 2.593 43 S HA 0.549 5.017 4.470 -0.003 0.000 0.297 43 S C -0.270 174.282 174.600 -0.081 0.000 1.112 43 S CA -0.972 57.130 58.200 -0.163 0.000 1.043 43 S CB 2.284 65.431 63.200 -0.088 0.000 1.054 43 S HN 0.816 9.126 8.310 -0.000 0.000 0.516 44 K N 0.443 120.785 120.400 -0.096 0.000 2.360 44 K HA 0.239 4.557 4.320 -0.003 0.000 0.196 44 K C 0.223 176.789 176.600 -0.057 0.000 1.049 44 K CA 0.296 56.567 56.287 -0.028 0.000 1.049 44 K CB 0.515 33.000 32.500 -0.024 0.000 0.881 44 K HN 0.831 9.081 8.250 -0.000 0.000 0.542 45 S N -0.459 115.188 115.700 -0.089 0.000 2.636 45 S HA 0.249 4.717 4.470 -0.003 0.000 0.268 45 S C -1.162 173.369 174.600 -0.115 0.000 1.159 45 S CA -1.137 57.005 58.200 -0.096 0.000 0.815 45 S CB 0.784 63.941 63.200 -0.070 0.000 1.130 45 S HN 0.028 8.338 8.310 -0.000 0.000 0.471 46 L N 2.594 123.742 121.223 -0.126 0.000 2.700 46 L HA 0.224 4.562 4.340 -0.003 0.000 0.276 46 L C 0.906 177.718 176.870 -0.097 0.000 1.200 46 L CA 1.399 56.154 54.840 -0.142 0.000 0.951 46 L CB -1.029 40.947 42.059 -0.139 0.000 1.226 46 L HN 0.885 9.115 8.230 -0.000 0.000 0.489 47 K N 2.067 122.422 120.400 -0.074 0.000 3.048 47 K HA -0.256 4.062 4.320 -0.003 0.000 0.274 47 K C 0.490 177.063 176.600 -0.044 0.000 1.098 47 K CA 0.784 57.048 56.287 -0.039 0.000 0.807 47 K CB -1.912 30.558 32.500 -0.050 0.000 1.217 47 K HN 0.793 9.043 8.250 -0.000 0.000 0.477 48 A N 0.850 123.639 122.820 -0.053 0.000 2.351 48 A HA 0.616 4.934 4.320 -0.003 0.000 0.257 48 A C 0.726 178.269 177.584 -0.068 0.000 1.087 48 A CA 0.237 52.234 52.037 -0.066 0.000 0.798 48 A CB 0.451 19.402 19.000 -0.081 0.000 1.033 48 A HN 0.429 8.579 8.150 -0.000 0.000 0.488 49 A N 1.426 124.196 122.820 -0.083 0.000 2.483 49 A HA 0.383 4.701 4.320 -0.003 0.000 0.238 49 A C 0.491 177.997 177.584 -0.129 0.000 1.070 49 A CA 0.066 52.044 52.037 -0.097 0.000 0.770 49 A CB -0.146 18.798 19.000 -0.093 0.000 1.008 49 A HN 0.869 9.019 8.150 -0.000 0.000 0.497 53 S N -0.044 115.684 115.700 0.048 0.000 2.569 53 S HA 0.801 5.269 4.470 -0.003 0.000 0.280 53 S C -0.886 173.893 174.600 0.299 0.000 1.111 53 S CA -0.837 57.488 58.200 0.209 0.000 0.887 53 S CB 1.822 65.083 63.200 0.102 0.000 1.095 53 S HN 0.379 8.689 8.310 -0.000 0.000 0.476 54 L N 1.593 122.969 121.223 0.255 0.000 2.331 54 L HA 0.517 4.855 4.340 -0.003 0.000 0.275 54 L C -0.215 176.718 176.870 0.106 0.000 1.022 54 L CA -0.942 53.986 54.840 0.146 0.000 0.812 54 L CB 1.592 43.699 42.059 0.080 0.000 1.257 54 L HN 0.593 8.823 8.230 -0.000 0.000 0.435 55 Q N 4.154 124.002 119.800 0.080 0.000 2.349 55 Q HA 0.498 4.836 4.340 -0.003 0.000 0.254 55 Q C -0.886 175.147 176.000 0.055 0.000 0.980 55 Q CA 0.016 55.855 55.803 0.061 0.000 0.924 55 Q CB 1.484 30.250 28.738 0.048 0.000 1.209 55 Q HN 0.472 8.742 8.270 -0.000 0.000 0.445 56 L N 4.589 125.845 121.223 0.056 0.000 2.342 56 L HA 0.533 4.871 4.340 -0.003 0.000 0.271 56 L C -2.225 174.666 176.870 0.037 0.000 1.008 56 L CA -2.403 52.467 54.840 0.049 0.000 0.818 56 L CB 1.887 43.985 42.059 0.065 0.000 1.296 56 L HN 0.276 8.506 8.230 -0.000 0.000 0.427 57 P HA 0.136 4.556 4.420 -0.000 0.000 0.271 57 P C -0.988 176.332 177.300 0.033 0.000 1.216 57 P CA -0.175 62.938 63.100 0.021 0.000 0.776 57 P CB 0.981 32.684 31.700 0.006 0.000 0.881 58 V N 2.347 122.282 119.914 0.036 0.000 2.604 58 V HA 0.307 4.425 4.120 -0.003 0.000 0.305 58 V C 0.282 176.405 176.094 0.049 0.000 1.043 58 V CA -0.725 61.605 62.300 0.050 0.000 0.888 58 V CB 1.676 33.525 31.823 0.043 0.000 0.995 58 V HN 0.580 8.770 8.190 -0.000 0.000 0.429 59 D N 3.496 123.941 120.400 0.074 0.000 2.478 59 D HA 0.475 5.113 4.640 -0.003 0.000 0.269 59 D C 1.172 177.510 176.300 0.063 0.000 1.232 59 D CA 0.043 54.081 54.000 0.063 0.000 1.059 59 D CB 1.034 41.873 40.800 0.066 0.000 1.104 59 D HN 0.527 8.897 8.370 -0.000 0.000 0.566 60 A N -0.408 122.442 122.820 0.050 0.000 2.015 60 A HA -0.131 4.187 4.320 -0.003 0.000 0.219 60 A C 1.484 179.101 177.584 0.054 0.000 1.163 60 A CA 1.229 53.291 52.037 0.041 0.000 0.646 60 A CB -0.624 18.392 19.000 0.027 0.000 0.806 60 A HN 0.562 8.712 8.150 -0.000 0.000 0.448 61 D N -1.063 119.394 120.400 0.095 0.000 2.348 61 D HA 0.156 4.794 4.640 -0.003 0.000 0.216 61 D C 1.389 177.738 176.300 0.081 0.000 0.970 61 D CA 1.261 55.339 54.000 0.131 0.000 0.889 61 D CB -0.012 40.943 40.800 0.259 0.000 0.912 61 D HN 0.637 9.007 8.370 -0.000 0.000 0.524 62 G N 0.111 108.954 108.800 0.071 0.000 2.144 62 G HA2 -0.256 3.702 3.960 -0.003 0.000 0.218 62 G HA3 -0.256 3.702 3.960 -0.003 0.000 0.218 62 G C -0.267 174.590 174.900 -0.072 0.000 0.988 62 G CA -0.521 44.567 45.100 -0.020 0.000 0.659 62 G HN 0.242 8.532 8.290 -0.000 0.000 0.522 63 Y N 0.433 120.733 120.300 -0.000 0.000 2.359 63 Y HA 0.581 5.129 4.550 -0.003 0.000 0.334 63 Y C 1.328 177.226 175.900 -0.004 0.000 1.058 63 Y CA -0.603 57.492 58.100 -0.008 0.000 1.244 63 Y CB 0.667 39.115 38.460 -0.020 0.000 1.187 63 Y HN 0.151 8.431 8.280 -0.000 0.000 0.510 64 I N 3.530 124.166 120.570 0.110 0.000 2.371 64 I HA 0.122 4.290 4.170 -0.003 0.000 0.290 64 I C 0.093 176.248 176.117 0.064 0.000 1.028 64 I CA -0.310 61.036 61.300 0.076 0.000 1.345 64 I CB 0.774 38.816 38.000 0.071 0.000 1.407 64 I HN 0.566 8.776 8.210 -0.000 0.000 0.501 65 T N 7.254 121.834 114.554 0.043 0.000 2.727 65 T HA 0.229 4.577 4.350 -0.003 0.000 0.295 65 T C 1.323 176.021 174.700 -0.004 0.000 0.915 65 T CA -0.191 61.921 62.100 0.020 0.000 1.066 65 T CB 0.294 69.161 68.868 -0.001 0.000 0.891 65 T HN 0.557 8.797 8.240 -0.000 0.000 0.516 66 I N -0.174 120.372 120.570 -0.040 0.000 3.783 66 I HA 0.478 4.646 4.170 -0.003 0.000 0.310 66 I C 0.089 176.285 176.117 0.130 0.000 1.274 66 I CA -0.081 61.081 61.300 -0.230 0.000 1.294 66 I CB 0.288 37.770 38.000 -0.862 0.000 1.051 66 I HN 0.338 8.548 8.210 -0.000 0.000 0.435 67 F N 3.941 123.958 119.950 0.111 0.000 2.477 67 F HA 0.388 4.913 4.527 -0.004 0.000 0.335 67 F C 0.346 176.167 175.800 0.035 0.000 1.130 67 F CA -1.994 56.096 58.000 0.150 0.000 0.948 67 F CB 1.087 40.114 39.000 0.045 0.000 1.154 67 F HN 0.101 8.401 8.300 -0.000 0.000 0.439 68 D N 2.426 122.493 120.400 -0.555 0.000 2.339 68 D HA 0.212 4.850 4.640 -0.003 0.000 0.217 68 D C 1.601 177.447 176.300 -0.756 0.000 1.050 68 D CA 0.645 54.349 54.000 -0.493 0.000 0.856 68 D CB 0.086 40.757 40.800 -0.215 0.000 0.922 68 D HN 0.936 9.306 8.370 -0.000 0.000 0.518 69 G N 0.352 108.164 108.800 -1.647 0.000 2.199 69 G HA2 -0.365 3.593 3.960 -0.003 0.000 0.254 69 G HA3 -0.365 3.593 3.960 -0.003 0.000 0.254 69 G C 1.090 175.699 174.900 -0.485 0.000 0.982 69 G CA 0.576 45.057 45.100 -1.031 0.000 0.632 69 G HN 0.487 8.777 8.290 -0.000 0.000 0.529 70 K N -0.842 119.306 120.400 -0.420 0.000 2.603 70 K HA 0.253 4.571 4.320 -0.003 0.000 0.205 70 K C 0.863 177.404 176.600 -0.099 0.000 1.500 70 K CA 0.948 57.139 56.287 -0.160 0.000 1.059 70 K CB 1.156 33.581 32.500 -0.125 0.000 1.416 70 K HN 0.579 8.829 8.250 -0.000 0.000 0.562 71 T N -2.596 111.905 114.554 -0.089 0.000 2.887 71 T HA 0.458 4.806 4.350 -0.003 0.000 0.292 71 T C -0.535 174.175 174.700 0.016 0.000 1.087 71 T CA -0.714 61.379 62.100 -0.013 0.000 1.009 71 T CB 1.008 69.915 68.868 0.065 0.000 1.203 71 T HN -0.086 8.154 8.240 -0.000 0.000 0.518 72 F N 1.055 121.137 119.950 0.220 0.000 2.730 72 F HA 0.402 4.926 4.527 -0.003 0.000 0.295 72 F C 0.725 176.747 175.800 0.371 0.000 1.143 72 F CA -1.152 57.004 58.000 0.260 0.000 1.367 72 F CB -0.555 38.542 39.000 0.161 0.000 0.970 72 F HN 0.428 8.728 8.300 -0.000 0.000 0.514 73 N N 0.964 119.914 118.700 0.417 0.000 2.411 73 N HA 0.236 4.974 4.740 -0.003 0.000 0.265 73 N C 1.356 176.979 175.510 0.188 0.000 1.266 73 N CA 1.260 54.435 53.050 0.209 0.000 0.889 73 N CB 0.571 39.120 38.487 0.103 0.000 1.069 73 N HN 0.518 8.898 8.380 -0.000 0.000 0.476 74 G N 0.781 109.451 108.800 -0.217 0.000 2.225 74 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.254 74 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.254 74 G C -0.427 174.286 174.900 -0.313 0.000 0.988 74 G CA -0.279 44.509 45.100 -0.520 0.000 0.625 74 G HN 0.520 8.810 8.290 -0.000 0.000 0.527 75 W N 1.588 122.929 121.300 0.069 0.000 2.449 75 W HA 0.808 5.466 4.660 -0.003 0.000 0.331 75 W C 0.908 177.372 176.519 -0.090 0.000 1.119 75 W CA -0.281 57.102 57.345 0.063 0.000 1.240 75 W CB 0.898 30.497 29.460 0.232 0.000 1.251 75 W HN 0.521 8.701 8.180 -0.000 0.000 0.576 76 R N 0.993 121.514 120.500 0.035 0.000 2.712 76 R HA 0.688 5.026 4.340 -0.003 0.000 0.272 76 R C -0.105 176.113 176.300 -0.136 0.000 1.032 76 R CA -1.269 54.782 56.100 -0.081 0.000 0.874 76 R CB 0.358 30.605 30.300 -0.088 0.000 1.256 76 R HN 0.618 8.888 8.270 -0.000 0.000 0.468 77 G N 0.927 109.652 108.800 -0.124 0.000 2.353 77 G HA2 0.024 3.982 3.960 -0.003 0.000 0.239 77 G HA3 0.024 3.982 3.960 -0.003 0.000 0.239 77 G C -0.614 174.250 174.900 -0.059 0.000 1.295 77 G CA -0.112 44.947 45.100 -0.069 0.000 0.884 77 G HN 0.565 8.855 8.290 -0.000 0.000 0.537 78 Y N 1.829 122.049 120.300 -0.133 0.000 2.802 78 Y HA 0.243 4.791 4.550 -0.003 0.000 0.333 78 Y C 1.483 177.325 175.900 -0.096 0.000 1.244 78 Y CA 1.370 59.389 58.100 -0.134 0.000 1.558 78 Y CB 0.334 38.725 38.460 -0.115 0.000 1.233 78 Y HN 1.226 9.506 8.280 -0.000 0.000 0.547 79 G N 3.535 111.948 108.800 -0.645 0.000 2.179 79 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.260 79 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.260 79 G C 0.073 174.836 174.900 -0.228 0.000 0.977 79 G CA 0.311 45.120 45.100 -0.485 0.000 0.641 79 G HN 0.528 8.818 8.290 -0.000 0.000 0.533 80 K N 0.189 120.487 120.400 -0.170 0.000 2.352 80 K HA 0.563 4.881 4.320 -0.003 0.000 0.240 80 K C 0.144 176.688 176.600 -0.094 0.000 1.017 80 K CA -0.229 55.999 56.287 -0.097 0.000 0.851 80 K CB 1.275 33.745 32.500 -0.049 0.000 1.261 80 K HN 0.170 8.420 8.250 -0.000 0.000 0.451 81 D N -0.338 120.027 120.400 -0.059 0.000 2.424 81 D HA 0.055 4.693 4.640 -0.003 0.000 0.220 81 D C -0.031 176.258 176.300 -0.020 0.000 1.150 81 D CA -0.256 53.719 54.000 -0.042 0.000 0.831 81 D CB 0.252 41.032 40.800 -0.033 0.000 0.981 81 D HN 0.536 8.906 8.370 -0.000 0.000 0.500 82 R N -2.276 118.208 120.500 -0.026 0.000 2.728 82 R HA 0.580 4.918 4.340 -0.003 0.000 0.274 82 R C -1.661 174.612 176.300 -0.045 0.000 1.030 82 R CA -1.066 55.026 56.100 -0.014 0.000 0.876 82 R CB 0.695 30.997 30.300 0.004 0.000 1.259 82 R HN -0.186 8.084 8.270 -0.000 0.000 0.468 83 V N 2.065 121.936 119.914 -0.072 0.000 2.432 83 V HA 0.324 4.442 4.120 -0.003 0.000 0.275 83 V C -2.040 174.024 176.094 -0.050 0.000 1.043 83 V CA -1.824 60.370 62.300 -0.177 0.000 0.925 83 V CB 1.039 32.589 31.823 -0.456 0.000 0.985 83 V HN 0.660 8.850 8.190 -0.000 0.000 0.466 84 P HA 0.090 4.510 4.420 -0.000 0.000 0.268 84 P C 0.814 178.208 177.300 0.156 0.000 1.205 84 P CA -0.065 63.129 63.100 0.157 0.000 0.771 84 P CB 0.594 32.476 31.700 0.304 0.000 0.858 85 S N 1.974 117.730 115.700 0.093 0.000 2.507 85 S HA -0.100 4.368 4.470 -0.003 0.000 0.235 85 S C 1.301 175.912 174.600 0.018 0.000 0.988 85 S CA 0.705 58.943 58.200 0.063 0.000 0.944 85 S CB -0.644 62.579 63.200 0.039 0.000 0.762 85 S HN 0.369 8.679 8.310 -0.000 0.000 0.526 86 K N -0.187 120.200 120.400 -0.022 0.000 2.439 86 K HA 0.029 4.347 4.320 -0.003 0.000 0.197 86 K C -0.608 175.774 176.600 -0.364 0.000 1.041 86 K CA 0.394 56.514 56.287 -0.279 0.000 0.970 86 K CB 0.016 32.257 32.500 -0.432 0.000 0.773 86 K HN 0.507 8.757 8.250 -0.000 0.000 0.479 87 W N 1.855 123.163 121.300 0.015 0.000 2.335 87 W HA 0.126 4.784 4.660 -0.003 0.000 0.307 87 W C 0.479 177.093 176.519 0.157 0.000 1.117 87 W CA -0.476 56.922 57.345 0.088 0.000 1.228 87 W CB 1.010 30.457 29.460 -0.021 0.000 1.240 87 W HN -0.083 8.097 8.180 -0.000 0.000 0.468 88 T N 0.314 115.124 114.554 0.426 0.000 2.907 88 T HA 0.763 5.111 4.350 -0.003 0.000 0.290 88 T C -0.838 174.067 174.700 0.341 0.000 1.066 88 T CA -0.908 61.431 62.100 0.397 0.000 1.012 88 T CB 1.538 70.507 68.868 0.168 0.000 1.184 88 T HN 0.223 8.463 8.240 -0.000 0.000 0.522 89 I N 0.956 121.628 120.570 0.169 0.000 2.404 89 I HA 0.560 4.728 4.170 -0.003 0.000 0.293 89 I C -0.186 176.013 176.117 0.137 0.000 0.992 89 I CA -0.488 60.852 61.300 0.067 0.000 1.149 89 I CB 1.684 39.637 38.000 -0.077 0.000 1.315 89 I HN 0.827 9.037 8.210 -0.000 0.000 0.446 90 E N 6.310 126.628 120.200 0.197 0.000 2.307 90 E HA 0.165 4.513 4.350 -0.003 0.000 0.280 90 E C -1.268 175.478 176.600 0.243 0.000 0.900 90 E CA -0.502 56.026 56.400 0.214 0.000 0.790 90 E CB 1.068 30.931 29.700 0.272 0.000 1.261 90 E HN 0.601 8.961 8.360 -0.000 0.000 0.405 91 D N 3.580 124.081 120.400 0.168 0.000 2.708 91 D HA -0.202 4.436 4.640 -0.003 0.000 0.236 91 D C 0.662 177.054 176.300 0.153 0.000 1.146 91 D CA 1.792 55.877 54.000 0.141 0.000 0.662 91 D CB -1.268 39.619 40.800 0.145 0.000 1.059 91 D HN 1.045 9.415 8.370 -0.000 0.000 0.428 92 G N -1.611 107.275 108.800 0.144 0.000 2.143 92 G HA2 -0.340 3.618 3.960 -0.003 0.000 0.248 92 G HA3 -0.340 3.618 3.960 -0.003 0.000 0.248 92 G C 0.421 175.524 174.900 0.338 0.000 0.991 92 G CA 0.450 45.627 45.100 0.128 0.000 0.689 92 G HN 0.617 8.907 8.290 -0.000 0.000 0.522 93 C N -0.103 119.453 119.300 0.426 0.000 2.614 93 C HA 0.722 5.180 4.460 -0.003 0.000 0.320 93 C C 0.798 175.940 174.990 0.255 0.000 1.200 93 C CA -1.126 58.180 59.018 0.480 0.000 1.700 93 C CB 1.434 29.532 27.740 0.597 0.000 2.275 93 C HN 0.417 8.647 8.230 -0.000 0.000 0.492 94 I N 2.645 123.172 120.570 -0.071 0.000 2.416 94 I HA 0.252 4.420 4.170 -0.003 0.000 0.288 94 I C 0.293 176.583 176.117 0.288 0.000 1.051 94 I CA 0.416 61.671 61.300 -0.075 0.000 1.375 94 I CB 0.392 38.184 38.000 -0.346 0.000 1.407 94 I HN 0.556 8.765 8.210 -0.000 0.000 0.516 95 K N 6.922 127.464 120.400 0.237 0.000 2.270 95 K HA 0.392 4.710 4.320 -0.003 0.000 0.255 95 K C -1.418 175.148 176.600 -0.056 0.000 0.936 95 K CA -0.636 55.609 56.287 -0.070 0.000 0.809 95 K CB 1.609 33.936 32.500 -0.289 0.000 1.131 95 K HN 0.347 8.597 8.250 -0.000 0.000 0.427 96 F N 3.928 123.573 119.950 -0.508 0.000 2.408 96 F HA 0.355 4.880 4.527 -0.004 0.000 0.344 96 F C -0.379 175.044 175.800 -0.628 0.000 1.112 96 F CA -0.677 56.800 58.000 -0.872 0.000 1.096 96 F CB 0.948 39.229 39.000 -1.199 0.000 1.129 96 F HN 0.442 8.742 8.300 -0.000 0.000 0.486 97 N N 4.658 122.558 118.700 -1.332 0.000 2.546 97 N HA 0.283 5.021 4.740 -0.003 0.000 0.238 97 N C -0.135 174.750 175.510 -1.041 0.000 0.984 97 N CA -0.273 52.239 53.050 -0.895 0.000 0.935 97 N CB 1.535 39.677 38.487 -0.575 0.000 1.122 97 N HN 0.814 9.194 8.380 -0.000 0.000 0.510 98 G N -0.053 108.378 108.800 -0.615 0.000 2.412 98 G HA2 0.257 4.215 3.960 -0.003 0.000 0.318 98 G HA3 0.257 4.215 3.960 -0.003 0.000 0.318 98 G C 0.361 175.161 174.900 -0.167 0.000 1.146 98 G CA -0.363 44.557 45.100 -0.300 0.000 0.882 98 G HN 0.370 8.660 8.290 -0.000 0.000 0.501 99 S N -0.594 115.060 115.700 -0.077 0.000 2.540 99 S HA 0.331 4.799 4.470 -0.003 0.000 0.218 99 S C 1.611 176.204 174.600 -0.011 0.000 0.977 99 S CA 0.579 58.749 58.200 -0.050 0.000 0.918 99 S CB 0.599 63.775 63.200 -0.040 0.000 0.806 99 S HN 1.870 10.180 8.310 -0.000 0.000 0.496 100 G N 1.088 109.899 108.800 0.018 0.000 2.131 100 G HA2 -0.172 3.786 3.960 -0.003 0.000 0.223 100 G HA3 -0.172 3.786 3.960 -0.003 0.000 0.223 100 G C 0.547 175.468 174.900 0.034 0.000 0.990 100 G CA -0.077 45.040 45.100 0.029 0.000 0.671 100 G HN 0.641 8.931 8.290 -0.000 0.000 0.521 101 G N -0.448 108.372 108.800 0.035 0.000 3.434 101 G HA2 0.567 4.525 3.960 -0.003 0.000 0.258 101 G HA3 0.567 4.525 3.960 -0.003 0.000 0.258 101 G C 1.589 176.482 174.900 -0.012 0.000 1.128 101 G CA 1.446 46.556 45.100 0.016 0.000 0.792 101 G HN 1.860 10.150 8.290 -0.000 0.000 0.539 102 G N 1.285 110.078 108.800 -0.012 0.000 2.602 102 G HA2 -0.370 3.588 3.960 -0.003 0.000 0.310 102 G HA3 -0.370 3.588 3.960 -0.003 0.000 0.310 102 G C 0.933 175.549 174.900 -0.473 0.000 1.183 102 G CA 0.574 45.568 45.100 -0.177 0.000 0.979 102 G HN 0.411 8.701 8.290 -0.000 0.000 0.545 103 E N 1.612 121.545 120.200 -0.445 0.000 2.482 103 E HA 0.282 4.630 4.350 -0.003 0.000 0.196 103 E C 2.739 179.297 176.600 -0.070 0.000 1.047 103 E CA 0.687 56.926 56.400 -0.268 0.000 0.869 103 E CB -0.163 29.463 29.700 -0.124 0.000 0.836 103 E HN 0.669 9.029 8.360 -0.000 0.000 0.520 104 A N 1.290 124.081 122.820 -0.047 0.000 1.948 104 A HA -0.269 4.049 4.320 -0.003 0.000 0.220 104 A C 1.095 178.699 177.584 0.034 0.000 1.177 104 A CA 1.205 53.247 52.037 0.007 0.000 0.636 104 A CB -0.314 18.692 19.000 0.010 0.000 0.815 104 A HN 0.347 8.497 8.150 -0.000 0.000 0.449 105 Q N 0.328 120.152 119.800 0.039 0.000 2.434 105 Q HA -0.190 4.148 4.340 -0.003 0.000 0.299 105 Q C -0.724 175.328 176.000 0.087 0.000 1.286 105 Q CA 0.675 56.528 55.803 0.084 0.000 0.872 105 Q CB -1.717 27.074 28.738 0.089 0.000 1.193 105 Q HN 0.981 9.251 8.270 -0.000 0.000 0.466 106 D N -0.436 120.005 120.400 0.069 0.000 2.371 106 D HA 0.394 5.032 4.640 -0.003 0.000 0.242 106 D C 1.194 177.528 176.300 0.057 0.000 1.218 106 D CA 0.560 54.592 54.000 0.053 0.000 0.945 106 D CB 0.746 41.566 40.800 0.034 0.000 1.137 106 D HN 0.311 8.681 8.370 -0.000 0.000 0.464 107 G N 0.761 109.585 108.800 0.039 0.000 2.575 107 G HA2 -0.286 3.672 3.960 -0.003 0.000 0.267 107 G HA3 -0.286 3.672 3.960 -0.003 0.000 0.267 107 G C -0.328 174.603 174.900 0.051 0.000 1.264 107 G CA 0.335 45.453 45.100 0.030 0.000 0.935 107 G HN 0.800 9.090 8.290 -0.000 0.000 0.568 108 D N 1.396 121.822 120.400 0.044 0.000 2.631 108 D HA 0.537 5.175 4.640 -0.003 0.000 0.227 108 D C 0.857 177.231 176.300 0.124 0.000 1.146 108 D CA 1.238 55.280 54.000 0.070 0.000 1.009 108 D CB -0.321 40.508 40.800 0.048 0.000 1.057 108 D HN 0.810 9.180 8.370 -0.000 0.000 0.509 109 G N -0.024 108.883 108.800 0.178 0.000 3.234 109 G HA2 0.760 4.718 3.960 -0.003 0.000 0.159 109 G HA3 0.760 4.718 3.960 -0.003 0.000 0.159 109 G C 0.195 175.287 174.900 0.321 0.000 1.175 109 G CA -0.176 45.113 45.100 0.316 0.000 0.900 109 G HN 0.685 8.975 8.290 -0.000 0.000 0.621 110 G N -1.136 107.845 108.800 0.303 0.000 2.570 110 G HA2 0.100 4.058 3.960 -0.003 0.000 0.686 110 G HA3 0.100 4.058 3.960 -0.003 0.000 0.686 110 G C -1.018 174.098 174.900 0.361 0.000 1.257 110 G CA -0.239 45.016 45.100 0.259 0.000 0.846 110 G HN 0.637 8.927 8.290 -0.000 0.000 0.627 111 D N -0.449 120.092 120.400 0.235 0.000 2.372 111 D HA 0.386 5.024 4.640 -0.003 0.000 0.243 111 D C 0.231 176.574 176.300 0.072 0.000 1.121 111 D CA 0.210 54.337 54.000 0.212 0.000 0.898 111 D CB 2.110 42.955 40.800 0.074 0.000 1.202 111 D HN 0.394 8.764 8.370 -0.000 0.000 0.428 112 L N 2.226 123.337 121.223 -0.187 0.000 2.317 112 L HA 0.449 4.787 4.340 -0.003 0.000 0.281 112 L C -0.502 176.299 176.870 -0.114 0.000 1.024 112 L CA -0.560 54.009 54.840 -0.452 0.000 0.810 112 L CB 1.211 42.457 42.059 -1.355 0.000 1.240 112 L HN 0.320 8.550 8.230 -0.000 0.000 0.427 113 I N 0.441 120.987 120.570 -0.040 0.000 2.646 113 I HA 0.485 4.653 4.170 -0.003 0.000 0.299 113 I C -1.131 174.927 176.117 -0.099 0.000 1.036 113 I CA -0.828 60.451 61.300 -0.035 0.000 1.074 113 I CB 1.818 39.678 38.000 -0.233 0.000 1.258 113 I HN 0.557 8.767 8.210 -0.000 0.000 0.430 114 F N 4.823 124.445 119.950 -0.547 0.000 2.413 114 F HA 0.609 5.134 4.527 -0.003 0.000 0.359 114 F C 0.755 176.270 175.800 -0.475 0.000 1.122 114 F CA -0.763 56.651 58.000 -0.977 0.000 1.160 114 F CB 1.232 39.386 39.000 -1.411 0.000 1.146 114 F HN 0.648 8.948 8.300 -0.000 0.000 0.514 115 A N 5.474 127.736 122.820 -0.931 0.000 3.033 115 A HA 0.126 4.444 4.320 -0.003 0.000 0.250 115 A C -0.638 176.765 177.584 -0.300 0.000 1.633 115 A CA -0.023 51.555 52.037 -0.765 0.000 1.290 115 A CB -1.390 17.272 19.000 -0.564 0.000 1.048 115 A HN 0.851 9.001 8.150 -0.000 0.000 0.648 116 H N -0.218 118.677 119.070 -0.291 0.000 2.823 116 H HA 0.432 4.986 4.556 -0.003 0.000 0.332 116 H C -0.528 174.660 175.328 -0.233 0.000 0.980 116 H CA -0.548 55.324 56.048 -0.294 0.000 1.286 116 H CB 0.684 30.110 29.762 -0.561 0.000 1.541 116 H HN 0.244 8.524 8.280 -0.000 0.000 0.521 117 K N 4.761 124.778 120.400 -0.638 0.000 2.379 117 K HA 0.160 4.478 4.320 -0.003 0.000 0.284 117 K C -0.919 175.325 176.600 -0.594 0.000 1.044 117 K CA 0.074 55.990 56.287 -0.619 0.000 0.974 117 K CB 0.536 32.659 32.500 -0.628 0.000 0.962 117 K HN 0.267 8.517 8.250 -0.000 0.000 0.474 118 F N 1.666 121.531 119.950 -0.141 0.000 2.470 118 F HA 0.318 4.843 4.527 -0.003 0.000 0.329 118 F C 1.333 177.168 175.800 0.058 0.000 1.072 118 F CA -0.538 57.431 58.000 -0.051 0.000 0.989 118 F CB 1.688 40.487 39.000 -0.336 0.000 1.193 118 F HN 0.465 8.765 8.300 -0.000 0.000 0.481 119 K N 0.373 121.033 120.400 0.434 0.000 2.401 119 K HA 0.266 4.584 4.320 -0.003 0.000 0.230 119 K C -0.376 176.509 176.600 0.475 0.000 1.183 119 K CA -0.041 56.472 56.287 0.377 0.000 0.798 119 K CB 0.314 32.938 32.500 0.206 0.000 1.455 119 K HN 0.469 8.719 8.250 -0.000 0.000 0.430 120 N N 1.226 120.142 118.700 0.360 0.000 2.437 120 N HA 0.282 5.019 4.740 -0.003 0.000 0.259 120 N C -1.213 174.494 175.510 0.328 0.000 0.983 120 N CA -0.178 53.011 53.050 0.232 0.000 0.937 120 N CB 1.149 39.703 38.487 0.112 0.000 1.122 120 N HN 0.224 8.604 8.380 -0.000 0.000 0.499 121 F N -1.078 118.915 119.950 0.072 0.000 2.741 121 F HA 0.506 5.031 4.527 -0.004 0.000 0.311 121 F C -0.927 174.813 175.800 -0.100 0.000 1.149 121 F CA -1.160 56.811 58.000 -0.048 0.000 0.930 121 F CB 1.598 40.501 39.000 -0.162 0.000 1.312 121 F HN 0.159 8.459 8.300 -0.000 0.000 0.450 122 E N 2.289 122.451 120.200 -0.062 0.000 2.216 122 E HA 0.536 4.884 4.350 -0.003 0.000 0.260 122 E C -2.136 174.528 176.600 0.105 0.000 0.880 122 E CA -1.015 55.339 56.400 -0.077 0.000 0.765 122 E CB 1.986 31.642 29.700 -0.073 0.000 1.174 122 E HN 0.802 9.162 8.360 -0.000 0.000 0.417 123 L N 3.765 125.078 121.223 0.150 0.000 2.289 123 L HA 0.500 4.838 4.340 -0.003 0.000 0.285 123 L C -0.746 176.173 176.870 0.082 0.000 1.049 123 L CA 0.206 55.119 54.840 0.120 0.000 0.804 123 L CB 1.201 43.326 42.059 0.110 0.000 1.195 123 L HN 0.598 8.828 8.230 -0.000 0.000 0.428 127 W N 1.446 123.096 121.300 0.583 0.000 3.127 127 W HA 0.746 5.404 4.660 -0.002 0.000 0.330 127 W C -1.583 175.050 176.519 0.190 0.000 1.187 127 W CA -0.884 56.713 57.345 0.421 0.000 1.198 127 W CB 1.446 31.085 29.460 0.300 0.000 1.408 127 W HN 0.448 8.628 8.180 -0.000 0.000 0.529 128 K N 2.206 122.663 120.400 0.095 0.000 2.482 128 K HA 0.517 4.835 4.320 -0.003 0.000 0.251 128 K C -1.220 175.488 176.600 0.180 0.000 0.936 128 K CA -0.499 55.666 56.287 -0.204 0.000 0.791 128 K CB 2.678 34.510 32.500 -1.113 0.000 1.213 128 K HN 0.500 8.750 8.250 -0.000 0.000 0.428 129 V N 0.404 120.493 119.914 0.291 0.000 2.732 129 V HA 0.567 4.685 4.120 -0.003 0.000 0.310 129 V C 0.189 176.468 176.094 0.308 0.000 1.053 129 V CA -0.839 61.645 62.300 0.307 0.000 0.957 129 V CB 1.354 33.343 31.823 0.278 0.000 1.018 129 V HN 0.880 9.070 8.190 -0.000 0.000 0.452 130 S N 1.555 117.450 115.700 0.324 0.000 2.576 130 S HA 0.168 4.636 4.470 -0.003 0.000 0.272 130 S C 0.112 174.751 174.600 0.065 0.000 1.352 130 S CA -0.445 57.895 58.200 0.235 0.000 1.021 130 S CB 0.134 63.435 63.200 0.168 0.000 0.887 130 S HN 0.973 9.283 8.310 -0.000 0.000 0.542 131 K N 0.622 120.900 120.400 -0.203 0.000 2.472 131 K HA 0.263 4.581 4.320 -0.003 0.000 0.280 131 K C 1.312 177.752 176.600 -0.267 0.000 1.028 131 K CA 0.984 56.860 56.287 -0.684 0.000 1.045 131 K CB -0.675 31.129 32.500 -1.159 0.000 0.902 131 K HN 1.155 9.405 8.250 -0.000 0.000 0.478 132 G N 2.577 111.283 108.800 -0.156 0.000 2.148 132 G HA2 -0.232 3.726 3.960 -0.003 0.000 0.254 132 G HA3 -0.232 3.726 3.960 -0.003 0.000 0.254 132 G C 0.306 175.284 174.900 0.130 0.000 0.981 132 G CA -0.016 45.073 45.100 -0.019 0.000 0.670 132 G HN 0.925 9.215 8.290 -0.000 0.000 0.528 133 G N -0.762 108.104 108.800 0.111 0.000 2.477 133 G HA2 0.557 4.515 3.960 -0.003 0.000 0.304 133 G HA3 0.557 4.515 3.960 -0.003 0.000 0.304 133 G C -0.470 174.458 174.900 0.046 0.000 1.175 133 G CA 0.061 45.231 45.100 0.117 0.000 0.907 133 G HN 0.635 8.925 8.290 -0.000 0.000 0.509 134 N N -0.940 117.735 118.700 -0.041 0.000 2.369 134 N HA 0.521 5.259 4.740 -0.003 0.000 0.287 134 N C -0.884 174.509 175.510 -0.193 0.000 1.067 134 N CA -0.394 52.485 53.050 -0.285 0.000 0.888 134 N CB 2.250 40.370 38.487 -0.611 0.000 1.616 134 N HN 0.553 8.933 8.380 -0.000 0.000 0.482 135 S N 1.580 117.144 115.700 -0.228 0.000 3.287 135 S HA 0.943 5.411 4.470 -0.003 0.000 0.324 135 S C -1.077 173.403 174.600 -0.200 0.000 1.205 135 S CA 0.084 58.219 58.200 -0.108 0.000 1.020 135 S CB 0.830 64.073 63.200 0.070 0.000 1.398 135 S HN 0.883 9.193 8.310 -0.000 0.000 0.679 136 G N 0.271 108.990 108.800 -0.136 0.000 2.519 136 G HA2 0.535 4.493 3.960 -0.003 0.000 0.292 136 G HA3 0.535 4.493 3.960 -0.003 0.000 0.292 136 G C -2.177 172.543 174.900 -0.300 0.000 1.507 136 G CA -0.647 44.272 45.100 -0.301 0.000 0.806 136 G HN 0.671 8.961 8.290 -0.000 0.000 0.523 137 I N 0.757 121.175 120.570 -0.254 0.000 2.389 137 I HA 0.455 4.623 4.170 -0.003 0.000 0.288 137 I C -0.808 175.246 176.117 -0.104 0.000 0.999 137 I CA -0.578 60.617 61.300 -0.175 0.000 1.129 137 I CB 1.441 39.347 38.000 -0.157 0.000 1.288 137 I HN 0.239 8.449 8.210 -0.000 0.000 0.444 138 F N 6.208 126.251 119.950 0.154 0.000 2.397 138 F HA 0.569 5.094 4.527 -0.003 0.000 0.331 138 F C -0.038 175.937 175.800 0.290 0.000 1.090 138 F CA -0.495 57.599 58.000 0.156 0.000 1.065 138 F CB 1.157 40.190 39.000 0.055 0.000 1.184 138 F HN 0.313 8.613 8.300 -0.000 0.000 0.499 139 Y N -1.925 118.594 120.300 0.365 0.000 2.644 139 Y HA 0.622 5.170 4.550 -0.003 0.000 0.338 139 Y C -0.105 175.956 175.900 0.268 0.000 1.119 139 Y CA -2.459 55.820 58.100 0.298 0.000 1.060 139 Y CB 0.720 39.398 38.460 0.364 0.000 1.294 139 Y HN 0.461 8.741 8.280 -0.000 0.000 0.472 140 L N -0.385 121.057 121.223 0.364 0.000 3.976 140 L HA -0.265 4.073 4.340 -0.003 0.000 0.418 140 L C 0.470 177.392 176.870 0.085 0.000 1.177 140 L CA 0.730 55.697 54.840 0.212 0.000 0.968 140 L CB -1.644 40.559 42.059 0.241 0.000 1.933 140 L HN 0.922 9.152 8.230 -0.000 0.000 0.976 141 A N 0.346 123.230 122.820 0.106 0.000 2.477 141 A HA 0.473 4.791 4.320 -0.003 0.000 0.246 141 A C 0.480 178.104 177.584 0.068 0.000 1.078 141 A CA 0.235 52.326 52.037 0.089 0.000 0.770 141 A CB 0.331 19.439 19.000 0.179 0.000 1.011 141 A HN 0.465 8.615 8.150 -0.000 0.000 0.494 142 Q N 0.966 120.809 119.800 0.072 0.000 2.309 142 Q HA 0.321 4.659 4.340 -0.003 0.000 0.264 142 Q C -0.967 175.181 176.000 0.247 0.000 1.008 142 Q CA -0.510 55.337 55.803 0.075 0.000 0.853 142 Q CB 2.114 30.853 28.738 0.001 0.000 1.314 142 Q HN 0.781 9.051 8.270 -0.000 0.000 0.448 143 E N 1.609 121.938 120.200 0.215 0.000 2.166 143 E HA 0.205 4.553 4.350 -0.003 0.000 0.279 143 E C -1.015 175.590 176.600 0.007 0.000 1.095 143 E CA -0.147 56.274 56.400 0.034 0.000 0.888 143 E CB 0.845 30.470 29.700 -0.124 0.000 1.041 143 E HN 0.179 8.539 8.360 -0.000 0.000 0.414 144 V N 3.372 123.316 119.914 0.050 0.000 2.495 144 V HA 0.351 4.469 4.120 -0.003 0.000 0.298 144 V C 0.295 176.396 176.094 0.011 0.000 1.031 144 V CA -0.715 61.600 62.300 0.026 0.000 0.871 144 V CB 1.883 33.726 31.823 0.034 0.000 0.988 144 V HN 0.762 8.952 8.190 -0.000 0.000 0.432 145 T N 0.855 115.408 114.554 -0.002 0.000 2.932 145 T HA 0.862 5.210 4.350 -0.003 0.000 0.289 145 T C -0.240 174.471 174.700 0.019 0.000 1.039 145 T CA -0.537 61.565 62.100 0.003 0.000 1.024 145 T CB 1.979 70.838 68.868 -0.015 0.000 1.090 145 T HN 0.873 9.113 8.240 -0.000 0.000 0.496 146 S N 0.274 115.991 115.700 0.029 0.000 2.632 146 S HA 0.712 5.180 4.470 -0.003 0.000 0.289 146 S C -1.192 173.424 174.600 0.027 0.000 1.115 146 S CA -1.224 56.998 58.200 0.036 0.000 0.889 146 S CB 1.415 64.651 63.200 0.060 0.000 1.116 146 S HN 0.656 8.966 8.310 -0.000 0.000 0.486 147 K N 2.414 122.830 120.400 0.026 0.000 2.234 147 K HA 0.341 4.659 4.320 -0.003 0.000 0.282 147 K C -0.189 176.424 176.600 0.021 0.000 1.039 147 K CA -0.337 55.961 56.287 0.019 0.000 0.928 147 K CB 0.754 33.264 32.500 0.015 0.000 1.039 147 K HN 0.876 9.126 8.250 -0.000 0.000 0.470 148 D N 1.033 121.443 120.400 0.017 0.000 2.447 148 D HA -0.000 4.638 4.640 -0.003 0.000 0.265 148 D C 0.871 177.179 176.300 0.012 0.000 1.250 148 D CA -0.347 53.662 54.000 0.016 0.000 1.046 148 D CB 0.482 41.290 40.800 0.014 0.000 1.095 148 D HN 0.392 8.762 8.370 -0.000 0.000 0.555 149 K N -1.292 119.114 120.400 0.010 0.000 2.360 149 K HA -0.120 4.198 4.320 -0.003 0.000 0.201 149 K C 0.185 176.788 176.600 0.006 0.000 1.046 149 K CA 1.297 57.588 56.287 0.007 0.000 0.945 149 K CB -0.143 32.360 32.500 0.005 0.000 0.750 149 K HN 0.252 8.502 8.250 -0.000 0.000 0.464 150 D N 0.098 120.501 120.400 0.006 0.000 2.402 150 D HA 0.097 4.735 4.640 -0.003 0.000 0.216 150 D C 0.616 176.918 176.300 0.004 0.000 1.128 150 D CA 0.612 54.615 54.000 0.004 0.000 0.833 150 D CB 0.951 41.753 40.800 0.003 0.000 0.971 150 D HN 0.505 8.875 8.370 -0.000 0.000 0.503 151 G N 1.514 110.317 108.800 0.005 0.000 2.162 151 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.260 151 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.260 151 G C 0.302 175.203 174.900 0.002 0.000 0.976 151 G CA -0.288 44.814 45.100 0.004 0.000 0.655 151 G HN 0.211 8.501 8.290 -0.000 0.000 0.533 152 N N 1.216 119.917 118.700 0.003 0.000 2.524 152 N HA 0.389 5.127 4.740 -0.003 0.000 0.283 152 N C -0.530 174.981 175.510 0.003 0.000 1.142 152 N CA -0.352 52.699 53.050 0.001 0.000 0.984 152 N CB 0.808 39.296 38.487 0.002 0.000 1.155 152 N HN 0.120 8.500 8.380 -0.000 0.000 0.467 153 D N 0.456 120.856 120.400 -0.002 0.000 2.350 153 D HA 0.164 4.802 4.640 -0.003 0.000 0.249 153 D C -0.365 175.935 176.300 0.001 0.000 1.119 153 D CA 0.100 54.099 54.000 -0.002 0.000 0.886 153 D CB 1.277 42.070 40.800 -0.012 0.000 1.195 153 D HN 0.000 8.370 8.370 -0.000 0.000 0.437 154 V N 3.621 123.540 119.914 0.008 0.000 2.656 154 V HA 0.310 4.428 4.120 -0.003 0.000 0.307 154 V C -0.982 175.123 176.094 0.018 0.000 1.051 154 V CA -0.973 61.336 62.300 0.015 0.000 0.893 154 V CB 2.016 33.854 31.823 0.026 0.000 0.999 154 V HN 0.372 8.562 8.190 -0.000 0.000 0.426 155 L N 6.265 127.497 121.223 0.015 0.000 2.418 155 L HA 0.422 4.760 4.340 -0.003 0.000 0.274 155 L C 0.306 177.214 176.870 0.063 0.000 1.135 155 L CA 0.732 55.584 54.840 0.020 0.000 0.870 155 L CB 0.464 42.527 42.059 0.007 0.000 1.154 155 L HN 0.647 8.877 8.230 -0.000 0.000 0.462 156 E N 6.322 126.567 120.200 0.075 0.000 2.277 156 E HA 0.358 4.706 4.350 -0.003 0.000 0.274 156 E C -2.290 174.320 176.600 0.016 0.000 1.022 156 E CA -2.074 54.360 56.400 0.058 0.000 0.853 156 E CB 0.482 30.209 29.700 0.046 0.000 1.086 156 E HN 0.444 8.804 8.360 -0.000 0.000 0.397 157 P HA 0.030 4.450 4.420 -0.000 0.000 0.266 157 P C 1.043 177.885 177.300 -0.763 0.000 1.195 157 P CA 0.167 62.923 63.100 -0.574 0.000 0.768 157 P CB 0.560 31.535 31.700 -1.209 0.000 0.838 158 I N 2.933 122.820 120.570 -1.139 0.000 2.248 158 I HA -0.322 3.846 4.170 -0.003 0.000 0.248 158 I C 1.599 177.184 176.117 -0.886 0.000 1.107 158 I CA 1.626 62.146 61.300 -1.301 0.000 1.373 158 I CB -0.144 36.867 38.000 -1.650 0.000 1.055 158 I HN 0.411 8.621 8.210 -0.000 0.000 0.418 159 Y N 0.847 120.733 120.300 -0.690 0.000 2.571 159 Y HA 0.011 4.559 4.550 -0.003 0.000 0.294 159 Y C 1.956 177.499 175.900 -0.594 0.000 1.141 159 Y CA 0.605 58.426 58.100 -0.464 0.000 1.308 159 Y CB -1.623 36.789 38.460 -0.081 0.000 1.002 159 Y HN 0.342 8.622 8.280 -0.000 0.000 0.551 160 I N -0.796 119.402 120.570 -0.621 0.000 3.291 160 I HA 0.026 4.194 4.170 -0.003 0.000 0.279 160 I C 1.745 177.541 176.117 -0.535 0.000 1.294 160 I CA 1.188 62.024 61.300 -0.773 0.000 1.428 160 I CB -0.278 37.286 38.000 -0.727 0.000 1.070 160 I HN 0.285 8.495 8.210 -0.000 0.000 0.478 161 S N 0.575 116.051 115.700 -0.373 0.000 2.575 161 S HA 0.502 4.970 4.470 -0.003 0.000 0.230 161 S C 0.940 175.453 174.600 -0.146 0.000 1.062 161 S CA 0.123 58.197 58.200 -0.210 0.000 0.913 161 S CB 0.136 63.263 63.200 -0.121 0.000 0.837 161 S HN 0.402 8.712 8.310 -0.000 0.000 0.487 162 A N 2.980 125.690 122.820 -0.183 0.000 2.273 162 A HA 0.780 5.098 4.320 -0.003 0.000 0.315 162 A C -2.977 174.603 177.584 -0.006 0.000 1.256 162 A CA -1.944 50.038 52.037 -0.093 0.000 0.851 162 A CB 0.350 19.285 19.000 -0.109 0.000 1.172 162 A HN 0.247 8.397 8.150 -0.000 0.000 0.508 163 P HA 0.047 4.467 4.420 -0.000 0.000 0.265 163 P C -0.384 176.906 177.300 -0.016 0.000 1.187 163 P CA 0.345 63.383 63.100 -0.104 0.000 0.766 163 P CB 0.513 31.992 31.700 -0.369 0.000 0.820 164 E N 2.491 122.825 120.200 0.223 0.000 2.155 164 E HA 0.175 4.522 4.350 -0.003 0.000 0.264 164 E C -1.397 175.394 176.600 0.318 0.000 0.886 164 E CA -0.857 55.658 56.400 0.192 0.000 0.752 164 E CB 0.476 30.267 29.700 0.151 0.000 1.133 164 E HN 0.331 8.691 8.360 -0.000 0.000 0.414 165 Y N 4.283 124.673 120.300 0.149 0.000 2.452 165 Y HA 0.148 4.696 4.550 -0.004 0.000 0.348 165 Y C 0.012 175.871 175.900 -0.068 0.000 0.985 165 Y CA -0.469 57.676 58.100 0.075 0.000 1.214 165 Y CB 0.742 39.125 38.460 -0.129 0.000 1.136 165 Y HN 0.527 8.807 8.280 -0.000 0.000 0.523 166 Q N 3.825 123.599 119.800 -0.042 0.000 2.337 166 Q HA 0.398 4.736 4.340 -0.003 0.000 0.270 166 Q C -1.618 174.238 176.000 -0.240 0.000 1.002 166 Q CA 0.016 55.754 55.803 -0.109 0.000 0.888 166 Q CB 0.723 29.453 28.738 -0.013 0.000 1.222 166 Q HN 0.594 8.864 8.270 -0.000 0.000 0.400 167 V N 6.030 125.728 119.914 -0.360 0.000 2.444 167 V HA 0.658 4.776 4.120 -0.003 0.000 0.294 167 V C -0.991 174.818 176.094 -0.474 0.000 1.022 167 V CA -0.709 61.166 62.300 -0.708 0.000 0.850 167 V CB 1.361 32.741 31.823 -0.739 0.000 0.992 167 V HN 0.774 8.964 8.190 -0.000 0.000 0.426 168 L N 3.589 124.596 121.223 -0.360 0.000 2.556 168 L HA 0.565 4.903 4.340 -0.003 0.000 0.257 168 L C -1.014 175.930 176.870 0.123 0.000 0.955 168 L CA -0.273 54.497 54.840 -0.117 0.000 0.850 168 L CB 2.342 44.332 42.059 -0.115 0.000 1.398 168 L HN 0.644 8.874 8.230 -0.000 0.000 0.412 169 D N 2.055 122.541 120.400 0.144 0.000 2.383 169 D HA 0.127 4.765 4.640 -0.003 0.000 0.245 169 D C 0.379 176.780 176.300 0.167 0.000 1.263 169 D CA 0.210 54.333 54.000 0.206 0.000 0.936 169 D CB 0.548 41.453 40.800 0.175 0.000 1.053 169 D HN 0.450 8.820 8.370 -0.000 0.000 0.507 170 N N 2.894 121.695 118.700 0.168 0.000 2.459 170 N HA -0.095 4.643 4.740 -0.003 0.000 0.181 170 N C 0.507 176.087 175.510 0.116 0.000 1.046 170 N CA 0.546 53.672 53.050 0.127 0.000 0.904 170 N CB 0.313 38.872 38.487 0.120 0.000 0.964 170 N HN 0.555 8.935 8.380 -0.000 0.000 0.444 171 D N -0.147 120.333 120.400 0.134 0.000 2.327 171 D HA 0.071 4.709 4.640 -0.003 0.000 0.205 171 D C 0.874 177.229 176.300 0.091 0.000 0.989 171 D CA 0.501 54.570 54.000 0.114 0.000 0.873 171 D CB 0.253 41.137 40.800 0.140 0.000 0.955 171 D HN 0.275 8.645 8.370 -0.000 0.000 0.515 172 N N -0.649 118.104 118.700 0.089 0.000 2.360 172 N HA -0.067 4.671 4.740 -0.003 0.000 0.211 172 N C 0.442 175.974 175.510 0.037 0.000 1.147 172 N CA -0.129 52.942 53.050 0.035 0.000 0.866 172 N CB 0.912 39.379 38.487 -0.035 0.000 1.206 172 N HN 0.170 8.550 8.380 -0.000 0.000 0.478 173 H N 3.511 122.583 119.070 0.003 0.000 2.848 173 H HA 0.133 4.687 4.556 -0.004 0.000 0.317 173 H C -1.646 173.688 175.328 0.011 0.000 1.046 173 H CA -0.959 55.089 56.048 -0.000 0.000 1.470 173 H CB 1.739 31.497 29.762 -0.008 0.000 1.483 173 H HN -0.064 8.216 8.280 -0.000 0.000 0.548 174 P HA -0.103 4.317 4.420 -0.000 0.000 0.222 174 P C 1.097 178.501 177.300 0.173 0.000 1.147 174 P CA 0.793 63.931 63.100 0.065 0.000 0.790 174 P CB 0.360 32.048 31.700 -0.021 0.000 0.780 175 D N -0.289 120.341 120.400 0.385 0.000 2.221 175 D HA -0.148 4.490 4.640 -0.003 0.000 0.204 175 D C 1.910 178.283 176.300 0.122 0.000 0.982 175 D CA 1.173 55.312 54.000 0.232 0.000 0.857 175 D CB -0.530 40.381 40.800 0.185 0.000 0.934 175 D HN -0.006 8.364 8.370 -0.000 0.000 0.475 176 A N 0.230 123.124 122.820 0.123 0.000 1.986 176 A HA -0.214 4.104 4.320 -0.003 0.000 0.220 176 A C 2.000 179.612 177.584 0.047 0.000 1.171 176 A CA 1.445 53.525 52.037 0.072 0.000 0.640 176 A CB -0.312 18.738 19.000 0.084 0.000 0.811 176 A HN 0.231 8.381 8.150 -0.000 0.000 0.451 177 K N -1.112 119.319 120.400 0.051 0.000 2.393 177 K HA 0.331 4.649 4.320 -0.003 0.000 0.193 177 K C 0.150 176.759 176.600 0.016 0.000 1.026 177 K CA -0.176 56.129 56.287 0.030 0.000 1.064 177 K CB 0.076 32.594 32.500 0.030 0.000 0.833 177 K HN 0.416 8.666 8.250 -0.000 0.000 0.521 178 L N -0.707 120.526 121.223 0.018 0.000 2.544 178 L HA 0.391 4.729 4.340 -0.003 0.000 0.256 178 L C 1.203 178.048 176.870 -0.042 0.000 1.097 178 L CA -0.231 54.609 54.840 -0.000 0.000 0.812 178 L CB 0.399 42.473 42.059 0.024 0.000 1.440 178 L HN 0.299 8.529 8.230 -0.000 0.000 0.496 179 G N 0.634 109.393 108.800 -0.067 0.000 2.552 179 G HA2 -0.290 3.668 3.960 -0.003 0.000 0.265 179 G HA3 -0.290 3.668 3.960 -0.003 0.000 0.265 179 G C -0.523 174.329 174.900 -0.079 0.000 1.234 179 G CA 0.154 45.188 45.100 -0.109 0.000 0.944 179 G HN 0.721 9.011 8.290 -0.000 0.000 0.568 180 K N 0.421 120.768 120.400 -0.089 0.000 2.482 180 K HA 0.477 4.795 4.320 -0.003 0.000 0.251 180 K C -0.541 176.025 176.600 -0.056 0.000 0.936 180 K CA -0.028 56.221 56.287 -0.063 0.000 0.791 180 K CB 0.980 33.442 32.500 -0.064 0.000 1.213 180 K HN 0.606 8.856 8.250 -0.000 0.000 0.428 181 D N 3.201 123.578 120.400 -0.037 0.000 2.751 181 D HA -0.196 4.442 4.640 -0.003 0.000 0.233 181 D C -0.687 175.596 176.300 -0.028 0.000 1.149 181 D CA 1.110 55.093 54.000 -0.027 0.000 0.682 181 D CB -0.892 39.893 40.800 -0.025 0.000 1.068 181 D HN 0.852 9.222 8.370 -0.000 0.000 0.429 182 N N -0.789 117.893 118.700 -0.030 0.000 2.725 182 N HA -0.237 4.500 4.740 -0.003 0.000 0.249 182 N C 0.567 176.050 175.510 -0.045 0.000 1.103 182 N CA 1.195 54.229 53.050 -0.026 0.000 0.707 182 N CB -1.629 36.855 38.487 -0.005 0.000 1.043 182 N HN 0.682 9.062 8.380 -0.000 0.000 0.553 183 N N -0.368 118.285 118.700 -0.079 0.000 2.515 183 N HA -0.065 4.673 4.740 -0.003 0.000 0.191 183 N C 0.735 176.139 175.510 -0.177 0.000 1.182 183 N CA 0.469 53.451 53.050 -0.114 0.000 0.879 183 N CB 0.032 38.440 38.487 -0.132 0.000 0.984 183 N HN 0.400 8.780 8.380 -0.000 0.000 0.453 184 R N -0.628 119.785 120.500 -0.145 0.000 2.509 184 R HA 0.236 4.574 4.340 -0.003 0.000 0.300 184 R C -0.077 176.229 176.300 0.010 0.000 0.985 184 R CA -0.239 55.792 56.100 -0.115 0.000 1.092 184 R CB 0.545 30.766 30.300 -0.130 0.000 1.237 184 R HN 0.348 8.618 8.270 -0.000 0.000 0.546 185 Q N 0.939 120.735 119.800 -0.006 0.000 2.212 185 Q HA 0.206 4.544 4.340 -0.003 0.000 0.238 185 Q C 0.040 176.039 176.000 -0.001 0.000 0.955 185 Q CA -0.426 55.386 55.803 0.014 0.000 0.906 185 Q CB 1.496 30.251 28.738 0.028 0.000 1.215 185 Q HN 0.120 8.390 8.270 -0.000 0.000 0.478 186 S N 0.008 115.723 115.700 0.024 0.000 2.558 186 S HA 0.238 4.706 4.470 -0.003 0.000 0.288 186 S C 0.808 175.363 174.600 -0.076 0.000 1.318 186 S CA 0.031 58.226 58.200 -0.009 0.000 1.056 186 S CB 0.836 64.164 63.200 0.213 0.000 0.853 186 S HN 0.999 9.309 8.310 -0.000 0.000 0.505 187 A N 1.601 124.181 122.820 -0.400 0.000 3.383 187 A HA -0.176 4.142 4.320 -0.003 0.000 0.264 187 A C 0.900 178.281 177.584 -0.339 0.000 1.154 187 A CA 0.922 52.428 52.037 -0.885 0.000 1.179 187 A CB -2.790 16.033 19.000 -0.296 0.000 1.133 187 A HN 1.190 9.340 8.150 -0.000 0.000 0.933 188 S N -0.828 114.788 115.700 -0.140 0.000 2.576 188 S HA 0.400 4.867 4.470 -0.003 0.000 0.272 188 S C 0.189 174.860 174.600 0.118 0.000 1.352 188 S CA 0.274 58.469 58.200 -0.008 0.000 1.021 188 S CB 0.848 64.031 63.200 -0.027 0.000 0.887 188 S HN 1.309 9.619 8.310 -0.000 0.000 0.542 189 L N 3.961 125.234 121.223 0.084 0.000 2.407 189 L HA 0.257 4.595 4.340 -0.003 0.000 0.282 189 L C -0.454 176.471 176.870 0.092 0.000 1.110 189 L CA -0.295 54.640 54.840 0.158 0.000 0.863 189 L CB -0.622 41.411 42.059 -0.043 0.000 1.207 189 L HN 0.611 8.841 8.230 -0.000 0.000 0.454 190 Y N 6.053 126.391 120.300 0.063 0.000 2.852 190 Y HA 0.140 4.688 4.550 -0.004 0.000 0.343 190 Y C 0.747 176.643 175.900 -0.006 0.000 1.280 190 Y CA 1.229 59.333 58.100 0.007 0.000 1.604 190 Y CB -0.384 38.080 38.460 0.006 0.000 1.216 190 Y HN 0.956 9.236 8.280 -0.000 0.000 0.541 194 P HA 0.268 4.688 4.420 -0.000 0.000 0.278 194 P C -0.457 176.834 177.300 -0.015 0.000 1.238 194 P CA -0.301 62.778 63.100 -0.035 0.000 0.794 194 P CB 1.284 32.967 31.700 -0.028 0.000 0.955 195 A N 3.044 125.861 122.820 -0.005 0.000 2.491 195 A HA 0.373 4.691 4.320 -0.003 0.000 0.261 195 A C -0.059 177.539 177.584 0.024 0.000 1.101 195 A CA 0.092 52.140 52.037 0.018 0.000 0.772 195 A CB -0.535 18.477 19.000 0.021 0.000 1.043 195 A HN 0.381 8.531 8.150 -0.000 0.000 0.501 196 V N 6.596 126.527 119.914 0.029 0.000 2.524 196 V HA 0.386 4.504 4.120 -0.003 0.000 0.297 196 V C -2.201 173.915 176.094 0.036 0.000 1.035 196 V CA -1.210 61.108 62.300 0.029 0.000 0.867 196 V CB 1.892 33.728 31.823 0.021 0.000 1.004 196 V HN 0.909 9.099 8.190 -0.000 0.000 0.426 197 P HA 0.226 4.646 4.420 -0.000 0.000 0.277 197 P C -0.990 176.337 177.300 0.046 0.000 1.240 197 P CA -0.505 62.617 63.100 0.037 0.000 0.798 197 P CB 1.095 32.815 31.700 0.035 0.000 0.979 198 Q N 2.483 122.309 119.800 0.043 0.000 2.566 198 Q HA 0.110 4.448 4.340 -0.003 0.000 0.221 198 Q C 0.085 176.120 176.000 0.059 0.000 1.195 198 Q CA -0.095 55.741 55.803 0.055 0.000 0.967 198 Q CB -0.999 27.768 28.738 0.048 0.000 1.337 198 Q HN 0.293 8.563 8.270 -0.000 0.000 0.553 199 N N 1.450 120.191 118.700 0.068 0.000 2.321 199 N HA 0.191 4.929 4.740 -0.003 0.000 0.242 199 N C -0.428 175.119 175.510 0.062 0.000 1.141 199 N CA -0.038 53.045 53.050 0.056 0.000 0.864 199 N CB 0.158 38.675 38.487 0.048 0.000 1.100 199 N HN 0.354 8.734 8.380 -0.000 0.000 0.510 200 A N 0.889 123.763 122.820 0.090 0.000 2.498 200 A HA 0.179 4.497 4.320 -0.003 0.000 0.239 200 A C 0.355 177.958 177.584 0.032 0.000 1.068 200 A CA -0.079 52.015 52.037 0.094 0.000 0.766 200 A CB 0.335 19.448 19.000 0.189 0.000 1.003 200 A HN 0.405 8.555 8.150 -0.000 0.000 0.497 201 K N 2.397 122.778 120.400 -0.033 0.000 2.126 201 K HA 0.393 4.711 4.320 -0.003 0.000 0.257 201 K C -2.241 174.332 176.600 -0.045 0.000 1.007 201 K CA -1.416 54.835 56.287 -0.060 0.000 0.928 201 K CB 0.315 32.750 32.500 -0.109 0.000 1.013 201 K HN 0.562 8.812 8.250 -0.000 0.000 0.473 202 P HA 0.016 4.436 4.420 -0.000 0.000 0.277 202 P C -0.443 176.817 177.300 -0.067 0.000 1.271 202 P CA -0.511 62.565 63.100 -0.040 0.000 0.795 202 P CB 0.190 31.819 31.700 -0.118 0.000 1.101 203 F N -1.650 118.303 119.950 0.006 0.000 2.629 203 F HA 0.346 4.871 4.527 -0.002 0.000 0.369 203 F C 1.324 177.079 175.800 -0.075 0.000 1.125 203 F CA 0.555 58.555 58.000 0.000 0.000 1.330 203 F CB -1.055 37.964 39.000 0.032 0.000 1.071 203 F HN 0.708 9.008 8.300 -0.000 0.000 0.595 204 G N 1.564 110.365 108.800 0.001 0.000 2.176 204 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.253 204 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.253 204 G C -0.141 174.536 174.900 -0.372 0.000 0.979 204 G CA 0.181 45.156 45.100 -0.209 0.000 0.641 204 G HN 0.843 9.133 8.290 -0.000 0.000 0.530 205 E N -0.999 118.999 120.200 -0.336 0.000 2.207 205 E HA 0.471 4.819 4.350 -0.003 0.000 0.270 205 E C -0.559 175.818 176.600 -0.372 0.000 0.927 205 E CA -1.097 55.113 56.400 -0.318 0.000 0.799 205 E CB 1.084 30.658 29.700 -0.211 0.000 1.172 205 E HN 0.290 8.650 8.360 -0.000 0.000 0.404 206 W N 2.053 123.224 121.300 -0.214 0.000 2.253 206 W HA 0.135 4.792 4.660 -0.004 0.000 0.322 206 W C 0.540 176.833 176.519 -0.376 0.000 1.342 206 W CA -0.232 56.956 57.345 -0.262 0.000 1.218 206 W CB 0.467 29.823 29.460 -0.173 0.000 1.205 206 W HN 0.215 8.395 8.180 -0.000 0.000 0.551 207 N N 3.140 121.602 118.700 -0.396 0.000 2.370 207 N HA 0.320 5.058 4.740 -0.003 0.000 0.303 207 N C -0.859 174.425 175.510 -0.377 0.000 1.103 207 N CA -0.860 51.840 53.050 -0.583 0.000 0.848 207 N CB 1.787 39.466 38.487 -1.346 0.000 1.235 207 N HN 0.270 8.650 8.380 -0.000 0.000 0.496 208 K N 1.130 121.455 120.400 -0.126 0.000 2.213 208 K HA 0.551 4.869 4.320 -0.003 0.000 0.270 208 K C -0.634 176.056 176.600 0.151 0.000 1.002 208 K CA -0.572 55.722 56.287 0.011 0.000 0.868 208 K CB 1.598 34.100 32.500 0.003 0.000 1.093 208 K HN 0.510 8.760 8.250 -0.000 0.000 0.454 209 A N 3.347 126.293 122.820 0.210 0.000 2.324 209 A HA 0.480 4.798 4.320 -0.003 0.000 0.330 209 A C -0.801 176.797 177.584 0.023 0.000 1.165 209 A CA -0.649 51.495 52.037 0.178 0.000 0.813 209 A CB 0.887 19.870 19.000 -0.028 0.000 1.197 209 A HN 0.737 8.887 8.150 -0.000 0.000 0.484 210 K N 2.595 123.007 120.400 0.019 0.000 2.443 210 K HA 0.745 5.063 4.320 -0.003 0.000 0.252 210 K C -1.596 174.963 176.600 -0.068 0.000 0.933 210 K CA -0.437 55.845 56.287 -0.009 0.000 0.792 210 K CB 1.137 33.665 32.500 0.046 0.000 1.185 210 K HN 0.693 8.943 8.250 -0.000 0.000 0.425 214 Y N 4.691 124.825 120.300 -0.277 0.000 2.317 214 Y HA 0.524 5.072 4.550 -0.003 0.000 0.325 214 Y C 0.510 176.367 175.900 -0.072 0.000 1.066 214 Y CA -1.037 56.978 58.100 -0.143 0.000 1.203 214 Y CB 1.507 39.889 38.460 -0.130 0.000 1.127 214 Y HN 0.727 9.007 8.280 -0.000 0.000 0.451 215 K N 4.508 124.696 120.400 -0.353 0.000 3.148 215 K HA -0.248 4.070 4.320 -0.003 0.000 0.267 215 K C 0.995 177.600 176.600 0.008 0.000 0.996 215 K CA 1.061 57.242 56.287 -0.177 0.000 0.737 215 K CB -1.562 30.739 32.500 -0.331 0.000 1.308 215 K HN 1.339 9.589 8.250 -0.000 0.000 0.470 216 G N -1.167 107.591 108.800 -0.070 0.000 2.234 216 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.260 216 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.260 216 G C 0.271 174.882 174.900 -0.481 0.000 0.987 216 G CA 0.590 45.412 45.100 -0.463 0.000 0.625 216 G HN 0.370 8.660 8.290 -0.000 0.000 0.532 217 T N 1.303 115.691 114.554 -0.278 0.000 2.794 217 T HA 0.521 4.869 4.350 -0.003 0.000 0.296 217 T C 0.146 174.535 174.700 -0.519 0.000 0.949 217 T CA 0.050 61.905 62.100 -0.408 0.000 1.101 217 T CB 2.213 70.994 68.868 -0.145 0.000 0.905 217 T HN 0.525 8.765 8.240 -0.000 0.000 0.516 218 V N 4.451 123.894 119.914 -0.784 0.000 2.495 218 V HA 0.537 4.655 4.120 -0.003 0.000 0.298 218 V C -0.220 175.565 176.094 -0.514 0.000 1.031 218 V CA -0.753 61.108 62.300 -0.732 0.000 0.871 218 V CB 1.901 33.018 31.823 -1.177 0.000 0.988 218 V HN 0.655 8.845 8.190 -0.000 0.000 0.432 219 V N 4.168 123.925 119.914 -0.262 0.000 2.588 219 V HA 0.470 4.588 4.120 -0.003 0.000 0.304 219 V C -0.492 175.676 176.094 0.125 0.000 1.042 219 V CA -0.637 61.609 62.300 -0.090 0.000 0.877 219 V CB 1.859 33.633 31.823 -0.081 0.000 0.996 219 V HN 0.885 9.075 8.190 -0.000 0.000 0.425 220 H N 2.043 121.143 119.070 0.049 0.000 2.467 220 H HA 0.672 5.226 4.556 -0.004 0.000 0.331 220 H C 0.264 175.687 175.328 0.157 0.000 1.120 220 H CA -0.378 55.776 56.048 0.177 0.000 1.270 220 H CB 2.208 32.110 29.762 0.234 0.000 1.466 220 H HN 0.822 9.102 8.280 -0.000 0.000 0.504 221 G N 1.118 110.114 108.800 0.326 0.000 2.481 221 G HA2 0.395 4.353 3.960 -0.003 0.000 0.315 221 G HA3 0.395 4.353 3.960 -0.003 0.000 0.315 221 G C -1.477 173.616 174.900 0.322 0.000 1.231 221 G CA -0.558 44.685 45.100 0.238 0.000 0.968 221 G HN 0.570 8.860 8.290 -0.000 0.000 0.482 222 Q N 0.449 120.394 119.800 0.240 0.000 2.289 222 Q HA 0.289 4.627 4.340 -0.003 0.000 0.270 222 Q C -0.493 175.592 176.000 0.142 0.000 1.038 222 Q CA -0.747 55.210 55.803 0.257 0.000 0.812 222 Q CB 1.138 30.037 28.738 0.269 0.000 1.300 222 Q HN 0.545 8.815 8.270 -0.000 0.000 0.427 223 N N 3.925 122.686 118.700 0.102 0.000 2.699 223 N HA -0.212 4.526 4.740 -0.003 0.000 0.256 223 N C -1.102 174.430 175.510 0.036 0.000 0.993 223 N CA 1.728 54.804 53.050 0.042 0.000 0.759 223 N CB -0.811 37.690 38.487 0.024 0.000 0.906 223 N HN 0.928 9.308 8.380 -0.000 0.000 0.541 224 D N -2.004 118.420 120.400 0.040 0.000 3.041 224 D HA -0.173 4.465 4.640 -0.003 0.000 0.220 224 D C -0.295 176.024 176.300 0.032 0.000 1.157 224 D CA 1.221 55.236 54.000 0.025 0.000 0.876 224 D CB -0.535 40.267 40.800 0.004 0.000 1.107 224 D HN 0.594 8.964 8.370 -0.000 0.000 0.422 225 E N 0.138 120.369 120.200 0.052 0.000 2.266 225 E HA 0.303 4.651 4.350 -0.003 0.000 0.268 225 E C 0.001 176.644 176.600 0.072 0.000 0.879 225 E CA -0.746 55.684 56.400 0.051 0.000 0.762 225 E CB 1.279 31.007 29.700 0.047 0.000 1.199 225 E HN -0.022 8.338 8.360 -0.000 0.000 0.422 226 N N 1.258 119.994 118.700 0.059 0.000 2.497 226 N HA 0.058 4.796 4.740 -0.003 0.000 0.271 226 N C 0.814 176.368 175.510 0.073 0.000 1.142 226 N CA 0.066 53.157 53.050 0.069 0.000 0.965 226 N CB 1.486 39.998 38.487 0.042 0.000 1.077 226 N HN 0.324 8.704 8.380 -0.000 0.000 0.462 227 V N -0.668 119.305 119.914 0.098 0.000 3.604 227 V HA 0.395 4.513 4.120 -0.003 0.000 0.277 227 V C 0.049 176.179 176.094 0.061 0.000 1.399 227 V CA 0.069 62.418 62.300 0.082 0.000 1.034 227 V CB -0.525 31.357 31.823 0.098 0.000 0.824 227 V HN 0.484 8.674 8.190 -0.000 0.000 0.439 228 L N -2.612 118.646 121.223 0.059 0.000 2.869 228 L HA 0.828 5.166 4.340 -0.003 0.000 0.265 228 L C -1.116 175.756 176.870 0.002 0.000 1.011 228 L CA -0.733 54.119 54.840 0.019 0.000 0.913 228 L CB 1.715 43.762 42.059 -0.020 0.000 1.490 228 L HN 0.151 8.381 8.230 -0.000 0.000 0.410 229 E N 0.320 120.524 120.200 0.006 0.000 2.331 229 E HA 0.672 5.020 4.350 -0.003 0.000 0.275 229 E C -2.077 174.525 176.600 0.003 0.000 0.895 229 E CA -0.595 55.766 56.400 -0.065 0.000 0.753 229 E CB 2.422 32.089 29.700 -0.056 0.000 1.216 229 E HN 0.757 9.117 8.360 -0.000 0.000 0.434 230 Y N 0.120 120.225 120.300 -0.325 0.000 2.705 230 Y HA 0.570 5.118 4.550 -0.004 0.000 0.332 230 Y C -1.515 173.995 175.900 -0.651 0.000 1.221 230 Y CA -1.021 56.901 58.100 -0.297 0.000 1.059 230 Y CB 1.402 39.798 38.460 -0.107 0.000 1.298 230 Y HN 0.390 8.670 8.280 -0.000 0.000 0.459 231 H N 2.127 121.173 119.070 -0.041 0.000 2.823 231 H HA 0.435 4.989 4.556 -0.003 0.000 0.332 231 H C -0.961 174.137 175.328 -0.383 0.000 0.980 231 H CA -0.680 55.215 56.048 -0.255 0.000 1.286 231 H CB 2.133 31.834 29.762 -0.102 0.000 1.541 231 H HN 0.612 8.892 8.280 -0.000 0.000 0.521 232 L N 2.551 123.285 121.223 -0.816 0.000 2.452 232 L HA -0.057 4.281 4.340 -0.003 0.000 0.267 232 L C 0.395 176.783 176.870 -0.804 0.000 1.188 232 L CA -0.088 53.886 54.840 -1.443 0.000 0.821 232 L CB 0.342 40.935 42.059 -2.443 0.000 1.102 232 L HN 0.777 9.007 8.230 -0.000 0.000 0.470 233 W N 0.220 121.403 121.300 -0.195 0.000 3.750 233 W HA -0.217 4.441 4.660 -0.003 0.000 0.329 233 W C 0.480 177.074 176.519 0.125 0.000 1.247 233 W CA 0.581 57.952 57.345 0.043 0.000 0.698 233 W CB -2.816 26.607 29.460 -0.063 0.000 2.324 233 W HN 0.679 8.859 8.180 -0.000 0.000 1.357 234 T N -3.528 111.214 114.554 0.312 0.000 2.938 234 T HA 0.539 4.887 4.350 -0.003 0.000 0.285 234 T C 1.071 175.930 174.700 0.265 0.000 1.028 234 T CA -0.183 62.068 62.100 0.253 0.000 1.005 234 T CB 2.930 71.920 68.868 0.203 0.000 1.157 234 T HN 0.011 8.251 8.240 -0.000 0.000 0.550 235 K N -0.152 120.362 120.400 0.190 0.000 2.097 235 K HA -0.132 4.186 4.320 -0.003 0.000 0.206 235 K C 2.246 178.945 176.600 0.166 0.000 1.049 235 K CA 1.282 57.666 56.287 0.161 0.000 0.933 235 K CB -0.141 32.428 32.500 0.116 0.000 0.717 235 K HN 0.624 8.874 8.250 -0.000 0.000 0.442 236 Q N -0.554 119.352 119.800 0.177 0.000 2.167 236 Q HA -0.189 4.149 4.340 -0.003 0.000 0.202 236 Q C 1.790 177.930 176.000 0.233 0.000 0.970 236 Q CA 1.266 57.173 55.803 0.173 0.000 0.855 236 Q CB -0.123 28.711 28.738 0.160 0.000 0.911 236 Q HN 0.571 8.841 8.270 -0.000 0.000 0.438 237 W N 1.110 122.456 121.300 0.076 0.000 2.379 237 W HA -0.173 4.485 4.660 -0.004 0.000 0.307 237 W C 1.550 178.108 176.519 0.065 0.000 1.200 237 W CA 1.595 58.972 57.345 0.053 0.000 1.297 237 W CB -0.087 29.396 29.460 0.037 0.000 1.140 237 W HN 0.074 8.254 8.180 -0.000 0.000 0.507 238 T N 1.468 116.070 114.554 0.080 0.000 2.665 238 T HA -0.246 4.102 4.350 -0.003 0.000 0.268 238 T C 1.080 175.806 174.700 0.042 0.000 1.035 238 T CA 2.134 64.254 62.100 0.033 0.000 1.151 238 T CB -0.682 68.293 68.868 0.178 0.000 0.862 238 T HN 0.073 8.313 8.240 -0.000 0.000 0.438 239 D N 0.741 121.174 120.400 0.055 0.000 2.144 239 D HA -0.036 4.601 4.640 -0.003 0.000 0.199 239 D C 2.015 178.303 176.300 -0.020 0.000 0.984 239 D CA 0.520 54.540 54.000 0.033 0.000 0.834 239 D CB -0.449 40.378 40.800 0.044 0.000 0.955 239 D HN 0.175 8.545 8.370 -0.000 0.000 0.465 240 L N 0.487 121.669 121.223 -0.069 0.000 2.046 240 L HA -0.088 4.250 4.340 -0.003 0.000 0.208 240 L C 2.243 179.001 176.870 -0.186 0.000 1.077 240 L CA 1.252 56.015 54.840 -0.129 0.000 0.747 240 L CB -0.424 41.541 42.059 -0.157 0.000 0.896 240 L HN 0.008 8.238 8.230 -0.000 0.000 0.432 241 L N -1.164 119.887 121.223 -0.287 0.000 2.083 241 L HA -0.199 4.139 4.340 -0.003 0.000 0.209 241 L C 2.530 179.427 176.870 0.046 0.000 1.083 241 L CA 0.817 55.559 54.840 -0.164 0.000 0.752 241 L CB -0.656 41.264 42.059 -0.232 0.000 0.899 241 L HN 0.333 8.563 8.230 -0.000 0.000 0.433 242 Q N -0.202 119.633 119.800 0.058 0.000 2.364 242 Q HA -0.085 4.253 4.340 -0.003 0.000 0.207 242 Q C 2.051 178.037 176.000 -0.023 0.000 0.970 242 Q CA 1.347 57.154 55.803 0.006 0.000 0.888 242 Q CB -0.123 28.606 28.738 -0.016 0.000 0.951 242 Q HN 0.524 8.794 8.270 -0.000 0.000 0.469 243 A N 0.749 123.550 122.820 -0.031 0.000 2.275 243 A HA 0.106 4.424 4.320 -0.003 0.000 0.212 243 A C 1.153 178.703 177.584 -0.057 0.000 1.201 243 A CA 0.269 52.280 52.037 -0.043 0.000 0.843 243 A CB 0.117 19.089 19.000 -0.046 0.000 0.873 243 A HN 0.296 8.446 8.150 -0.000 0.000 0.492 244 S N -0.490 115.179 115.700 -0.053 0.000 2.767 244 S HA 0.363 4.831 4.470 -0.003 0.000 0.300 244 S C 0.829 175.370 174.600 -0.098 0.000 1.123 244 S CA -0.012 58.135 58.200 -0.088 0.000 0.992 244 S CB 1.047 64.204 63.200 -0.071 0.000 1.138 244 S HN 0.369 8.679 8.310 -0.000 0.000 0.550 245 K N -0.684 119.575 120.400 -0.235 0.000 2.504 245 K HA 0.077 4.395 4.320 -0.003 0.000 0.195 245 K C -0.173 176.360 176.600 -0.112 0.000 1.036 245 K CA 0.953 57.109 56.287 -0.220 0.000 0.984 245 K CB -0.547 31.774 32.500 -0.299 0.000 0.788 245 K HN 0.496 8.746 8.250 -0.000 0.000 0.488 246 F N 2.456 122.497 119.950 0.151 0.000 2.730 246 F HA 0.192 4.716 4.527 -0.004 0.000 0.295 246 F C 0.405 176.325 175.800 0.201 0.000 1.143 246 F CA -1.196 56.894 58.000 0.149 0.000 1.367 246 F CB -0.393 38.592 39.000 -0.024 0.000 0.970 246 F HN 0.012 8.312 8.300 -0.000 0.000 0.514 247 S N -0.961 114.892 115.700 0.255 0.000 2.584 247 S HA -0.016 4.452 4.470 -0.003 0.000 0.270 247 S C 1.461 176.079 174.600 0.030 0.000 1.346 247 S CA -0.468 57.799 58.200 0.113 0.000 1.018 247 S CB 1.013 64.214 63.200 0.002 0.000 0.899 247 S HN 0.519 8.829 8.310 -0.000 0.000 0.542 248 Q N 0.238 119.767 119.800 -0.452 0.000 2.135 248 Q HA -0.229 4.109 4.340 -0.003 0.000 0.204 248 Q C 1.461 177.379 176.000 -0.138 0.000 0.981 248 Q CA 2.191 57.685 55.803 -0.514 0.000 0.856 248 Q CB -0.309 27.807 28.738 -1.036 0.000 0.902 248 Q HN 0.943 9.213 8.270 -0.000 0.000 0.425 249 D N -0.430 119.899 120.400 -0.118 0.000 2.149 249 D HA -0.097 4.541 4.640 -0.003 0.000 0.201 249 D C 1.450 177.760 176.300 0.016 0.000 0.972 249 D CA 1.154 55.127 54.000 -0.045 0.000 0.835 249 D CB 0.240 41.006 40.800 -0.055 0.000 0.966 249 D HN 0.151 8.521 8.370 -0.000 0.000 0.476 250 K N -1.586 118.851 120.400 0.061 0.000 2.186 250 K HA 0.013 4.331 4.320 -0.003 0.000 0.202 250 K C 0.116 176.831 176.600 0.191 0.000 1.052 250 K CA 0.316 56.660 56.287 0.094 0.000 0.965 250 K CB 0.574 33.139 32.500 0.109 0.000 0.746 250 K HN 0.180 8.430 8.250 -0.000 0.000 0.457 251 W N 1.368 122.726 121.300 0.097 0.000 1.752 251 W HA 0.235 4.893 4.660 -0.004 0.000 0.308 251 W C -2.877 173.752 176.519 0.182 0.000 0.978 251 W CA -2.534 54.907 57.345 0.160 0.000 1.401 251 W CB 0.682 30.302 29.460 0.267 0.000 1.522 251 W HN -0.111 8.069 8.180 -0.000 0.000 0.359 252 P HA -0.236 4.184 4.420 -0.000 0.000 0.216 252 P C 1.816 179.312 177.300 0.327 0.000 1.153 252 P CA 1.494 64.777 63.100 0.306 0.000 0.858 252 P CB 0.326 32.144 31.700 0.197 0.000 0.789 253 L N -0.359 121.063 121.223 0.331 0.000 2.017 253 L HA -0.088 4.250 4.340 -0.003 0.000 0.208 253 L C 2.304 179.227 176.870 0.088 0.000 1.073 253 L CA 2.127 57.094 54.840 0.213 0.000 0.745 253 L CB -1.610 40.584 42.059 0.225 0.000 0.894 253 L HN -0.105 8.125 8.230 -0.000 0.000 0.432 254 A N -0.962 121.844 122.820 -0.024 0.000 1.877 254 A HA -0.272 4.046 4.320 -0.003 0.000 0.216 254 A C 2.289 179.823 177.584 -0.083 0.000 1.186 254 A CA 1.859 53.711 52.037 -0.308 0.000 0.620 254 A CB -1.229 17.323 19.000 -0.746 0.000 0.822 254 A HN 0.542 8.692 8.150 -0.000 0.000 0.443 255 F N 0.857 120.806 119.950 -0.000 0.000 2.095 255 F HA -0.206 4.319 4.527 -0.004 0.000 0.298 255 F C 2.240 178.057 175.800 0.028 0.000 1.104 255 F CA 2.333 60.349 58.000 0.027 0.000 1.232 255 F CB -0.369 38.677 39.000 0.076 0.000 0.987 255 F HN 0.461 8.761 8.300 -0.000 0.000 0.475 256 E N 0.308 120.553 120.200 0.075 0.000 2.058 256 E HA -0.234 4.114 4.350 -0.003 0.000 0.194 256 E C 2.274 178.830 176.600 -0.073 0.000 0.997 256 E CA 1.831 58.227 56.400 -0.008 0.000 0.801 256 E CB -0.355 29.407 29.700 0.104 0.000 0.746 256 E HN 0.554 8.914 8.360 -0.000 0.000 0.450 257 L N 0.372 121.560 121.223 -0.058 0.000 2.005 257 L HA -0.189 4.149 4.340 -0.003 0.000 0.207 257 L C 2.668 179.526 176.870 -0.020 0.000 1.072 257 L CA 0.932 55.745 54.840 -0.046 0.000 0.744 257 L CB -0.339 41.669 42.059 -0.084 0.000 0.895 257 L HN 0.231 8.461 8.230 -0.000 0.000 0.433 258 L N -0.435 120.739 121.223 -0.082 0.000 2.093 258 L HA -0.186 4.152 4.340 -0.003 0.000 0.208 258 L C 2.320 179.315 176.870 0.209 0.000 1.085 258 L CA 0.948 55.812 54.840 0.040 0.000 0.755 258 L CB -0.523 41.475 42.059 -0.101 0.000 0.904 258 L HN 0.319 8.549 8.230 -0.000 0.000 0.435 259 N N 0.478 119.102 118.700 -0.127 0.000 2.149 259 N HA -0.214 4.524 4.740 -0.003 0.000 0.188 259 N C 1.014 176.705 175.510 0.301 0.000 1.019 259 N CA 1.110 54.108 53.050 -0.087 0.000 0.857 259 N CB -0.082 37.990 38.487 -0.692 0.000 0.997 259 N HN 0.117 8.497 8.380 -0.000 0.000 0.426 260 N N -0.006 118.832 118.700 0.229 0.000 2.761 260 N HA 0.086 4.824 4.740 -0.003 0.000 0.317 260 N C -1.269 174.478 175.510 0.396 0.000 1.546 260 N CA -0.363 52.884 53.050 0.329 0.000 1.015 260 N CB -0.542 38.036 38.487 0.151 0.000 1.343 260 N HN 0.186 8.566 8.380 -0.000 0.000 0.504 261 C N 0.209 119.825 119.300 0.526 0.000 2.437 261 C HA 0.335 4.793 4.460 -0.003 0.000 0.399 261 C C 1.792 177.044 174.990 0.438 0.000 1.478 261 C CA 1.827 61.075 59.018 0.384 0.000 1.538 261 C CB -1.536 26.329 27.740 0.209 0.000 2.506 261 C HN 0.886 9.116 8.230 -0.000 0.000 0.603 262 G N 4.050 113.002 108.800 0.253 0.000 2.175 262 G HA2 0.206 4.164 3.960 -0.003 0.000 0.244 262 G HA3 0.206 4.164 3.960 -0.003 0.000 0.244 262 G C 1.226 176.211 174.900 0.143 0.000 0.982 262 G CA 0.723 45.953 45.100 0.216 0.000 0.641 262 G HN 2.820 11.110 8.290 -0.000 0.000 0.527 263 G N -0.383 108.497 108.800 0.133 0.000 2.645 263 G HA2 -0.155 3.803 3.960 -0.003 0.000 0.239 263 G HA3 -0.155 3.803 3.960 -0.003 0.000 0.239 263 G C 0.514 175.379 174.900 -0.058 0.000 1.331 263 G CA 0.863 45.978 45.100 0.025 0.000 0.890 263 G HN 1.104 9.394 8.290 -0.000 0.000 0.572 264 E N -0.177 119.946 120.200 -0.128 0.000 2.153 264 E HA -0.121 4.227 4.350 -0.003 0.000 0.194 264 E C 1.838 178.234 176.600 -0.340 0.000 0.988 264 E CA 1.300 57.562 56.400 -0.230 0.000 0.811 264 E CB -0.112 29.488 29.700 -0.166 0.000 0.746 264 E HN 0.411 8.771 8.360 -0.000 0.000 0.466 265 N N -0.057 118.506 118.700 -0.229 0.000 2.280 265 N HA -0.008 4.730 4.740 -0.003 0.000 0.192 265 N C -0.806 174.635 175.510 -0.114 0.000 1.109 265 N CA 0.247 53.172 53.050 -0.208 0.000 0.855 265 N CB 0.139 38.543 38.487 -0.138 0.000 0.974 265 N HN 0.263 8.643 8.380 -0.000 0.000 0.482 266 H N 0.448 119.443 119.070 -0.126 0.000 2.677 266 H HA -0.199 4.355 4.556 -0.003 0.000 0.321 266 H C -0.336 175.050 175.328 0.098 0.000 1.171 266 H CA 0.674 56.706 56.048 -0.026 0.000 1.139 266 H CB -1.177 28.446 29.762 -0.232 0.000 1.515 266 H HN 0.548 8.828 8.280 -0.000 0.000 0.423 267 E N -0.401 119.887 120.200 0.147 0.000 2.433 267 E HA 0.804 5.152 4.350 -0.003 0.000 0.278 267 E C 0.043 176.622 176.600 -0.035 0.000 0.976 267 E CA -0.740 55.708 56.400 0.080 0.000 0.793 267 E CB 2.820 32.508 29.700 -0.020 0.000 1.311 267 E HN 0.202 8.562 8.360 -0.000 0.000 0.460 268 G N 0.108 108.851 108.800 -0.096 0.000 2.340 268 G HA2 0.391 4.349 3.960 -0.003 0.000 0.299 268 G HA3 0.391 4.349 3.960 -0.003 0.000 0.299 268 G C -1.756 173.012 174.900 -0.221 0.000 1.291 268 G CA -1.023 43.899 45.100 -0.295 0.000 0.841 268 G HN 0.261 8.551 8.290 -0.000 0.000 0.500 269 F N 0.227 120.204 119.950 0.046 0.000 2.371 269 F HA 0.653 5.178 4.527 -0.004 0.000 0.329 269 F C 1.062 176.937 175.800 0.124 0.000 1.107 269 F CA -0.719 57.314 58.000 0.056 0.000 1.137 269 F CB 1.095 40.110 39.000 0.024 0.000 1.214 269 F HN 0.175 8.475 8.300 -0.000 0.000 0.536 270 I N 1.157 121.943 120.570 0.360 0.000 2.532 270 I HA 0.630 4.798 4.170 -0.003 0.000 0.292 270 I C 0.589 176.861 176.117 0.259 0.000 1.014 270 I CA 0.072 61.537 61.300 0.275 0.000 1.340 270 I CB 1.053 39.152 38.000 0.166 0.000 1.422 270 I HN 0.728 8.938 8.210 -0.000 0.000 0.528 274 D N 2.556 122.941 120.400 -0.025 0.000 2.374 274 D HA 0.055 4.693 4.640 -0.003 0.000 0.240 274 D C -0.506 175.694 176.300 -0.167 0.000 1.229 274 D CA 0.445 54.099 54.000 -0.576 0.000 0.895 274 D CB 0.416 40.954 40.800 -0.437 0.000 1.046 274 D HN 0.592 8.962 8.370 -0.000 0.000 0.498 275 H N 2.992 121.933 119.070 -0.216 0.000 2.467 275 H HA 0.259 4.813 4.556 -0.003 0.000 0.275 275 H C 1.146 176.482 175.328 0.014 0.000 1.131 275 H CA 0.538 56.549 56.048 -0.061 0.000 0.989 275 H CB 0.112 29.827 29.762 -0.078 0.000 1.696 275 H HN 0.717 8.997 8.280 -0.000 0.000 0.574 276 G N 1.428 110.306 108.800 0.131 0.000 2.189 276 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.267 276 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.267 276 G C -0.247 174.791 174.900 0.230 0.000 0.975 276 G CA 0.565 45.806 45.100 0.235 0.000 0.644 276 G HN 0.464 8.754 8.290 -0.000 0.000 0.537 277 D N 0.697 121.237 120.400 0.234 0.000 2.342 277 D HA 0.443 5.081 4.640 -0.003 0.000 0.243 277 D C -0.426 175.918 176.300 0.073 0.000 1.019 277 D CA -0.622 53.452 54.000 0.124 0.000 0.864 277 D CB 1.132 41.998 40.800 0.109 0.000 1.315 277 D HN 0.029 8.399 8.370 -0.000 0.000 0.468 278 D N 0.518 120.863 120.400 -0.092 0.000 2.533 278 D HA 0.182 4.820 4.640 -0.003 0.000 0.236 278 D C -0.247 175.843 176.300 -0.351 0.000 1.137 278 D CA 0.541 54.336 54.000 -0.343 0.000 0.867 278 D CB 0.910 41.482 40.800 -0.381 0.000 1.170 278 D HN -0.044 8.326 8.370 -0.000 0.000 0.474 279 V N 3.866 123.433 119.914 -0.579 0.000 3.077 279 V HA 0.502 4.620 4.120 -0.003 0.000 0.299 279 V C -1.773 173.962 176.094 -0.599 0.000 1.276 279 V CA -0.803 61.255 62.300 -0.402 0.000 0.993 279 V CB 2.048 33.713 31.823 -0.263 0.000 1.076 279 V HN 0.532 8.722 8.190 -0.000 0.000 0.434 280 W N 4.706 125.787 121.300 -0.365 0.000 2.736 280 W HA 0.689 5.347 4.660 -0.002 0.000 0.335 280 W C -1.391 175.007 176.519 -0.202 0.000 1.059 280 W CA -0.600 56.644 57.345 -0.168 0.000 1.226 280 W CB 2.189 31.613 29.460 -0.060 0.000 1.416 280 W HN 0.458 8.638 8.180 -0.000 0.000 0.505 281 F N 1.811 122.116 119.950 0.591 0.000 2.565 281 F HA 0.587 5.113 4.527 -0.003 0.000 0.313 281 F C 0.288 176.302 175.800 0.356 0.000 1.091 281 F CA -1.032 57.265 58.000 0.495 0.000 0.915 281 F CB 2.090 41.244 39.000 0.258 0.000 1.208 281 F HN 0.254 8.554 8.300 -0.000 0.000 0.453 282 R N 0.376 121.131 120.500 0.426 0.000 2.766 282 R HA 0.554 4.892 4.340 -0.003 0.000 0.270 282 R C -1.166 175.203 176.300 0.115 0.000 1.035 282 R CA -1.029 55.195 56.100 0.206 0.000 0.911 282 R CB 0.917 31.157 30.300 -0.100 0.000 1.243 282 R HN 0.499 8.769 8.270 -0.000 0.000 0.460 283 N N 0.219 118.968 118.700 0.081 0.000 2.696 283 N HA -0.147 4.591 4.740 -0.003 0.000 0.256 283 N C -0.982 174.567 175.510 0.064 0.000 1.031 283 N CA 1.077 54.132 53.050 0.009 0.000 0.730 283 N CB -1.116 37.307 38.487 -0.105 0.000 0.894 283 N HN 0.528 8.908 8.380 -0.000 0.000 0.544 284 I N 1.033 121.695 120.570 0.154 0.000 2.297 284 I HA 0.269 4.437 4.170 -0.003 0.000 0.291 284 I C 0.846 177.025 176.117 0.103 0.000 1.033 284 I CA -0.457 60.940 61.300 0.162 0.000 1.253 284 I CB 0.732 38.893 38.000 0.268 0.000 1.396 284 I HN 0.104 8.314 8.210 -0.000 0.000 0.476 285 R N 4.842 125.383 120.500 0.069 0.000 2.698 285 R HA 0.861 5.199 4.340 -0.003 0.000 0.275 285 R C -1.983 174.398 176.300 0.135 0.000 1.001 285 R CA -0.885 55.267 56.100 0.088 0.000 0.896 285 R CB 2.275 32.629 30.300 0.089 0.000 1.218 285 R HN 0.268 8.538 8.270 -0.000 0.000 0.462 286 V N 1.734 121.701 119.914 0.088 0.000 2.623 286 V HA 0.394 4.512 4.120 -0.003 0.000 0.304 286 V C -0.664 175.346 176.094 -0.141 0.000 1.054 286 V CA -0.843 61.404 62.300 -0.088 0.000 0.882 286 V CB 1.925 33.442 31.823 -0.511 0.000 1.002 286 V HN 0.766 8.956 8.190 -0.000 0.000 0.424 287 K N 3.607 123.807 120.400 -0.333 0.000 2.213 287 K HA 0.659 4.977 4.320 -0.003 0.000 0.270 287 K C -0.908 175.590 176.600 -0.171 0.000 1.002 287 K CA -0.476 55.529 56.287 -0.469 0.000 0.868 287 K CB 1.730 33.595 32.500 -1.059 0.000 1.093 287 K HN 0.502 8.752 8.250 -0.000 0.000 0.454 288 V N 6.347 126.244 119.914 -0.028 0.000 2.488 288 V HA 0.184 4.302 4.120 -0.003 0.000 0.277 288 V C 0.185 176.323 176.094 0.073 0.000 1.046 288 V CA -0.422 61.950 62.300 0.122 0.000 0.986 288 V CB 0.667 32.610 31.823 0.201 0.000 0.989 288 V HN 0.679 8.869 8.190 -0.000 0.000 0.475 289 L N 5.352 126.654 121.223 0.132 0.000 2.325 289 L HA 0.651 4.989 4.340 -0.003 0.000 0.278 289 L C -0.383 176.615 176.870 0.214 0.000 1.023 289 L CA -0.579 54.349 54.840 0.147 0.000 0.811 289 L CB 1.808 43.993 42.059 0.210 0.000 1.249 289 L HN 0.769 8.999 8.230 -0.000 0.000 0.431 290 D N 0.000 120.529 120.400 0.215 0.000 6.856 290 D HA 0.000 4.638 4.640 -0.003 0.000 0.175 290 D CA 0.000 54.111 54.000 0.185 0.000 0.868 290 D CB 0.000 40.864 40.800 0.107 0.000 0.688 290 D HN 0.000 8.370 8.370 -0.000 0.000 0.683