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 1ve5_1_B DATA FIRST_RESID 2 DATA SEQUENCE PSLQDLYAAF RRIAPYTHRT PLLTSRLLDG LLGKRLLLKA EHLQKTGSFK DATA SEQUENCE ARGALSKALA LENPKGLLAV SSGNHAQGVA YAAQVLGVKA LVVMPXXXXX DATA SEQUENCE XKKACARAYG AEVVXXXXXX XNREEVARAL QEETGYALIH PFDDPLVIAG DATA SEQUENCE QGTAGLELLA QAGRMGVFPG AVLAPVGGGG LLAGLATAVK ALSPTTLVLG DATA SEQUENCE VEPEAADDAK RSLEAGRILR LEAPPRTRAD GVRTLSLGER TFPILRERVD DATA SEQUENCE GILTVSEEAL LEAERLLFTR TKQVVEPTGA LPLAAVLEHG ARLPQTLALL DATA SEQUENCE LSGGNRDFSP 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 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 2 P C 0.000 177.319 177.300 0.032 0.000 1.155 2 P CA 0.000 63.121 63.100 0.036 0.000 0.800 2 P CB 0.000 31.729 31.700 0.048 0.000 0.726 3 S N -0.462 115.259 115.700 0.036 0.000 2.758 3 S HA 0.387 4.853 4.470 -0.006 0.000 0.292 3 S C 1.029 175.656 174.600 0.044 0.000 1.131 3 S CA -0.464 57.756 58.200 0.032 0.000 0.997 3 S CB 1.121 64.338 63.200 0.028 0.000 1.111 3 S HN 0.504 8.814 8.310 -0.000 0.000 0.552 4 L N 0.895 122.140 121.223 0.038 0.000 2.083 4 L HA -0.041 4.295 4.340 -0.006 0.000 0.209 4 L C 2.621 179.540 176.870 0.082 0.000 1.083 4 L CA 1.801 56.670 54.840 0.049 0.000 0.752 4 L CB -1.089 40.985 42.059 0.025 0.000 0.899 4 L HN 0.836 9.066 8.230 -0.000 0.000 0.433 5 Q N -0.779 119.063 119.800 0.069 0.000 2.170 5 Q HA -0.194 4.143 4.340 -0.006 0.000 0.203 5 Q C 1.717 177.801 176.000 0.139 0.000 0.976 5 Q CA 1.532 57.395 55.803 0.101 0.000 0.858 5 Q CB -0.195 28.581 28.738 0.063 0.000 0.907 5 Q HN 0.578 8.848 8.270 -0.000 0.000 0.433 6 D N 0.773 121.234 120.400 0.102 0.000 2.117 6 D HA -0.128 4.509 4.640 -0.006 0.000 0.197 6 D C 1.991 178.363 176.300 0.119 0.000 0.987 6 D CA 0.917 54.975 54.000 0.098 0.000 0.829 6 D CB -0.080 40.763 40.800 0.073 0.000 0.961 6 D HN 0.241 8.611 8.370 -0.000 0.000 0.460 7 L N -0.337 120.961 121.223 0.125 0.000 2.046 7 L HA -0.191 4.145 4.340 -0.006 0.000 0.208 7 L C 2.532 179.512 176.870 0.184 0.000 1.077 7 L CA 1.072 55.993 54.840 0.134 0.000 0.747 7 L CB -0.680 41.444 42.059 0.108 0.000 0.896 7 L HN 0.052 8.282 8.230 -0.000 0.000 0.432 8 Y N 1.055 121.410 120.300 0.092 0.000 2.181 8 Y HA -0.223 4.341 4.550 0.024 0.000 0.288 8 Y C 2.578 178.584 175.900 0.176 0.000 1.146 8 Y CA 1.311 59.490 58.100 0.131 0.000 1.164 8 Y CB -0.188 38.319 38.460 0.080 0.000 0.982 8 Y HN 0.095 8.375 8.280 -0.000 0.000 0.515 9 A N 0.138 123.081 122.820 0.205 0.000 1.933 9 A HA -0.087 4.229 4.320 -0.006 0.000 0.218 9 A C 2.376 179.988 177.584 0.046 0.000 1.175 9 A CA 1.659 53.762 52.037 0.110 0.000 0.628 9 A CB -1.351 17.724 19.000 0.124 0.000 0.814 9 A HN 0.560 8.710 8.150 -0.000 0.000 0.444 10 A N -1.189 121.679 122.820 0.080 0.000 1.930 10 A HA 0.003 4.319 4.320 -0.006 0.000 0.217 10 A C 1.997 179.619 177.584 0.063 0.000 1.175 10 A CA 1.485 53.566 52.037 0.073 0.000 0.627 10 A CB -0.671 18.390 19.000 0.101 0.000 0.815 10 A HN 0.667 8.817 8.150 -0.000 0.000 0.443 11 F N 0.729 120.622 119.950 -0.094 0.000 2.134 11 F HA -0.146 4.377 4.527 -0.006 0.000 0.299 11 F C 2.289 177.987 175.800 -0.169 0.000 1.097 11 F CA 1.940 59.858 58.000 -0.136 0.000 1.264 11 F CB -0.298 38.569 39.000 -0.221 0.000 1.001 11 F HN 0.221 8.521 8.300 -0.000 0.000 0.479 12 R N 0.258 120.576 120.500 -0.304 0.000 2.081 12 R HA -0.133 4.203 4.340 -0.006 0.000 0.235 12 R C 2.479 178.643 176.300 -0.227 0.000 1.131 12 R CA 1.562 57.465 56.100 -0.327 0.000 0.960 12 R CB -0.241 29.946 30.300 -0.190 0.000 0.856 12 R HN 0.241 8.511 8.270 -0.000 0.000 0.436 13 R N 0.348 120.779 120.500 -0.116 0.000 2.092 13 R HA -0.088 4.248 4.340 -0.006 0.000 0.231 13 R C 2.284 178.591 176.300 0.011 0.000 1.119 13 R CA 1.786 57.866 56.100 -0.033 0.000 0.970 13 R CB -0.255 30.045 30.300 0.001 0.000 0.864 13 R HN 0.470 8.740 8.270 -0.000 0.000 0.440 14 I N -3.586 116.953 120.570 -0.051 0.000 3.783 14 I HA 0.267 4.434 4.170 -0.006 0.000 0.310 14 I C 2.025 178.079 176.117 -0.106 0.000 1.274 14 I CA 0.385 61.703 61.300 0.029 0.000 1.294 14 I CB 0.044 38.071 38.000 0.045 0.000 1.051 14 I HN -0.135 8.075 8.210 -0.000 0.000 0.435 15 A N 3.365 125.951 122.820 -0.389 0.000 1.892 15 A HA -0.099 4.217 4.320 -0.006 0.000 0.218 15 A C 0.377 177.749 177.584 -0.354 0.000 1.188 15 A CA 2.140 53.866 52.037 -0.518 0.000 0.631 15 A CB -2.134 16.356 19.000 -0.850 0.000 0.822 15 A HN 0.507 8.657 8.150 -0.000 0.000 0.447 16 P HA -0.071 4.349 4.420 -0.000 0.000 0.233 16 P C 0.077 176.988 177.300 -0.649 0.000 1.167 16 P CA 0.923 63.668 63.100 -0.592 0.000 0.770 16 P CB -0.211 31.029 31.700 -0.767 0.000 0.837 17 Y N -0.118 120.141 120.300 -0.070 0.000 2.481 17 Y HA 0.205 4.742 4.550 -0.022 0.000 0.247 17 Y C 1.247 177.153 175.900 0.009 0.000 1.151 17 Y CA -0.260 57.839 58.100 -0.002 0.000 1.238 17 Y CB 0.090 38.541 38.460 -0.016 0.000 1.179 17 Y HN -0.071 8.209 8.280 -0.000 0.000 0.524 18 T N -3.338 111.219 114.554 0.004 0.000 2.901 18 T HA 0.490 4.837 4.350 -0.006 0.000 0.293 18 T C -0.947 173.689 174.700 -0.107 0.000 1.084 18 T CA -0.851 61.202 62.100 -0.079 0.000 1.008 18 T CB 1.519 70.402 68.868 0.026 0.000 1.170 18 T HN 0.114 8.354 8.240 -0.000 0.000 0.509 19 H N 0.108 119.198 119.070 0.034 0.000 2.481 19 H HA 0.515 5.069 4.556 -0.004 0.000 0.339 19 H C 0.262 175.622 175.328 0.053 0.000 1.131 19 H CA -1.188 54.874 56.048 0.024 0.000 1.301 19 H CB 0.808 30.570 29.762 0.000 0.000 1.476 19 H HN 0.105 8.385 8.280 -0.000 0.000 0.529 20 R N 2.351 122.968 120.500 0.195 0.000 2.608 20 R HA 0.076 4.413 4.340 -0.006 0.000 0.277 20 R C -0.168 176.194 176.300 0.104 0.000 1.341 20 R CA -0.426 55.765 56.100 0.151 0.000 1.199 20 R CB -0.802 29.575 30.300 0.128 0.000 1.156 20 R HN 0.754 9.024 8.270 -0.000 0.000 0.558 21 T N 0.763 115.380 114.554 0.104 0.000 2.937 21 T HA 0.173 4.519 4.350 -0.006 0.000 0.316 21 T C -1.796 172.920 174.700 0.028 0.000 1.079 21 T CA -1.123 61.006 62.100 0.048 0.000 1.131 21 T CB 0.635 69.536 68.868 0.054 0.000 1.000 21 T HN 0.261 8.501 8.240 -0.000 0.000 0.549 22 P HA 0.235 4.655 4.420 -0.000 0.000 0.274 22 P C -0.645 176.666 177.300 0.018 0.000 1.237 22 P CA -0.730 62.371 63.100 0.003 0.000 0.793 22 P CB 0.789 32.482 31.700 -0.012 0.000 0.977 23 L N 3.289 124.518 121.223 0.010 0.000 2.287 23 L HA 0.309 4.645 4.340 -0.006 0.000 0.280 23 L C 0.114 176.990 176.870 0.010 0.000 1.055 23 L CA -0.802 54.044 54.840 0.010 0.000 0.863 23 L CB -0.072 41.981 42.059 -0.009 0.000 1.245 23 L HN 0.300 8.530 8.230 -0.000 0.000 0.432 24 L N 3.361 124.600 121.223 0.027 0.000 2.436 24 L HA 0.408 4.745 4.340 -0.006 0.000 0.265 24 L C 0.567 177.447 176.870 0.016 0.000 1.168 24 L CA -0.146 54.709 54.840 0.026 0.000 0.815 24 L CB 1.455 43.544 42.059 0.050 0.000 1.109 24 L HN 0.544 8.774 8.230 -0.000 0.000 0.462 25 T N -1.427 113.132 114.554 0.009 0.000 2.900 25 T HA 0.544 4.891 4.350 -0.006 0.000 0.295 25 T C -0.624 174.080 174.700 0.007 0.000 1.044 25 T CA -0.798 61.304 62.100 0.005 0.000 0.995 25 T CB 1.926 70.793 68.868 -0.002 0.000 1.072 25 T HN 0.472 8.712 8.240 -0.000 0.000 0.473 26 S N 0.463 116.167 115.700 0.006 0.000 2.677 26 S HA 0.385 4.851 4.470 -0.006 0.000 0.283 26 S C 0.775 175.379 174.600 0.006 0.000 1.159 26 S CA -0.850 57.354 58.200 0.007 0.000 1.001 26 S CB 1.320 64.525 63.200 0.008 0.000 1.032 26 S HN 0.770 9.080 8.310 -0.000 0.000 0.487 27 R N 3.014 123.516 120.500 0.005 0.000 2.115 27 R HA 0.073 4.409 4.340 -0.006 0.000 0.230 27 R C 1.733 178.037 176.300 0.006 0.000 1.111 27 R CA 1.235 57.337 56.100 0.005 0.000 0.976 27 R CB -0.285 30.017 30.300 0.004 0.000 0.870 27 R HN 0.654 8.924 8.270 -0.000 0.000 0.445 28 L N 0.539 121.766 121.223 0.007 0.000 1.989 28 L HA -0.237 4.099 4.340 -0.006 0.000 0.211 28 L C 2.392 179.268 176.870 0.009 0.000 1.071 28 L CA 1.488 56.334 54.840 0.008 0.000 0.749 28 L CB -0.459 41.606 42.059 0.010 0.000 0.890 28 L HN 0.243 8.473 8.230 -0.000 0.000 0.431 29 L N -0.625 120.604 121.223 0.010 0.000 2.017 29 L HA -0.256 4.081 4.340 -0.006 0.000 0.208 29 L C 2.279 179.154 176.870 0.010 0.000 1.073 29 L CA 1.299 56.145 54.840 0.011 0.000 0.745 29 L CB -0.660 41.406 42.059 0.011 0.000 0.894 29 L HN 0.289 8.519 8.230 -0.000 0.000 0.432 30 D N 0.154 120.559 120.400 0.009 0.000 2.116 30 D HA -0.181 4.456 4.640 -0.006 0.000 0.193 30 D C 2.053 178.358 176.300 0.008 0.000 0.998 30 D CA 1.647 55.652 54.000 0.009 0.000 0.836 30 D CB -0.382 40.422 40.800 0.007 0.000 0.951 30 D HN 0.353 8.723 8.370 -0.000 0.000 0.449 31 G N -0.139 108.665 108.800 0.008 0.000 2.421 31 G HA2 -0.137 3.819 3.960 -0.006 0.000 0.217 31 G HA3 -0.137 3.819 3.960 -0.006 0.000 0.217 31 G C 1.674 176.578 174.900 0.007 0.000 1.143 31 G CA 0.150 45.255 45.100 0.007 0.000 0.784 31 G HN 0.256 8.546 8.290 -0.000 0.000 0.541 32 L N -0.369 120.858 121.223 0.008 0.000 2.179 32 L HA 0.192 4.529 4.340 -0.006 0.000 0.208 32 L C 2.336 179.210 176.870 0.007 0.000 1.096 32 L CA 0.502 55.347 54.840 0.007 0.000 0.779 32 L CB -0.088 41.976 42.059 0.008 0.000 0.922 32 L HN 0.173 8.403 8.230 -0.000 0.000 0.443 33 L N -0.917 120.311 121.223 0.008 0.000 2.640 33 L HA 0.268 4.605 4.340 -0.006 0.000 0.230 33 L C 1.280 178.155 176.870 0.009 0.000 1.123 33 L CA 0.290 55.135 54.840 0.008 0.000 0.900 33 L CB -0.066 42.000 42.059 0.010 0.000 1.146 33 L HN 0.382 8.612 8.230 -0.000 0.000 0.484 34 G N 1.150 109.955 108.800 0.009 0.000 2.249 34 G HA2 -0.245 3.712 3.960 -0.006 0.000 0.273 34 G HA3 -0.245 3.712 3.960 -0.006 0.000 0.273 34 G C 0.159 175.065 174.900 0.011 0.000 1.036 34 G CA 0.429 45.534 45.100 0.009 0.000 0.824 34 G HN 0.235 8.525 8.290 -0.000 0.000 0.504 35 K N -1.215 119.192 120.400 0.012 0.000 2.395 35 K HA 0.615 4.931 4.320 -0.006 0.000 0.245 35 K C -0.361 176.246 176.600 0.012 0.000 1.017 35 K CA -1.262 55.033 56.287 0.014 0.000 0.852 35 K CB 1.280 33.790 32.500 0.016 0.000 1.311 35 K HN 0.043 8.293 8.250 -0.000 0.000 0.452 36 R N 2.286 122.794 120.500 0.013 0.000 2.287 36 R HA 0.365 4.701 4.340 -0.006 0.000 0.316 36 R C -0.841 175.464 176.300 0.009 0.000 1.050 36 R CA -0.402 55.704 56.100 0.010 0.000 0.983 36 R CB -0.779 29.528 30.300 0.012 0.000 1.140 36 R HN 0.531 8.801 8.270 -0.000 0.000 0.528 37 L N 5.151 126.378 121.223 0.008 0.000 2.312 37 L HA 0.510 4.847 4.340 -0.006 0.000 0.281 37 L C 0.064 176.936 176.870 0.003 0.000 1.070 37 L CA -0.724 54.121 54.840 0.007 0.000 0.805 37 L CB 1.284 43.349 42.059 0.010 0.000 1.174 37 L HN 0.267 8.497 8.230 -0.000 0.000 0.434 38 L N 5.078 126.302 121.223 0.002 0.000 2.319 38 L HA 0.473 4.809 4.340 -0.006 0.000 0.281 38 L C -0.689 176.186 176.870 0.008 0.000 1.005 38 L CA -0.427 54.412 54.840 -0.002 0.000 0.828 38 L CB 1.564 43.614 42.059 -0.014 0.000 1.227 38 L HN 0.470 8.700 8.230 -0.000 0.000 0.415 39 L N 3.850 125.084 121.223 0.018 0.000 2.264 39 L HA 0.376 4.713 4.340 -0.006 0.000 0.287 39 L C 0.088 176.989 176.870 0.052 0.000 1.039 39 L CA -0.685 54.175 54.840 0.034 0.000 0.829 39 L CB 0.896 42.978 42.059 0.038 0.000 1.211 39 L HN 0.401 8.631 8.230 -0.000 0.000 0.427 40 K N 3.499 123.928 120.400 0.050 0.000 2.315 40 K HA 0.287 4.604 4.320 -0.006 0.000 0.291 40 K C 0.288 176.956 176.600 0.113 0.000 1.074 40 K CA -0.088 56.235 56.287 0.060 0.000 0.936 40 K CB 0.960 33.483 32.500 0.038 0.000 1.049 40 K HN 0.602 8.852 8.250 -0.000 0.000 0.471 41 A N 5.623 128.521 122.820 0.130 0.000 3.048 41 A HA 0.099 4.416 4.320 -0.006 0.000 0.264 41 A C 0.389 178.050 177.584 0.127 0.000 1.796 41 A CA -0.244 51.919 52.037 0.211 0.000 1.445 41 A CB -0.353 18.710 19.000 0.105 0.000 1.074 41 A HN 0.781 8.931 8.150 -0.000 0.000 0.621 42 E N 0.111 120.436 120.200 0.208 0.000 2.482 42 E HA -0.121 4.226 4.350 -0.006 0.000 0.196 42 E C 1.203 177.908 176.600 0.175 0.000 1.047 42 E CA 0.990 57.499 56.400 0.182 0.000 0.869 42 E CB -0.221 29.631 29.700 0.253 0.000 0.836 42 E HN 1.070 9.430 8.360 -0.000 0.000 0.520 43 H N -1.492 117.634 119.070 0.095 0.000 2.524 43 H HA 0.101 4.654 4.556 -0.005 0.000 0.282 43 H C 1.624 176.989 175.328 0.061 0.000 1.016 43 H CA 0.474 56.568 56.048 0.077 0.000 1.270 43 H CB -0.184 29.619 29.762 0.067 0.000 1.394 43 H HN 0.028 8.308 8.280 -0.000 0.000 0.568 44 L N 0.603 121.564 121.223 -0.436 0.000 2.653 44 L HA 0.136 4.472 4.340 -0.006 0.000 0.231 44 L C 0.606 177.445 176.870 -0.051 0.000 1.153 44 L CA -0.394 54.257 54.840 -0.315 0.000 0.933 44 L CB 0.129 41.940 42.059 -0.414 0.000 1.175 44 L HN 0.250 8.480 8.230 -0.000 0.000 0.473 45 Q N 1.117 120.935 119.800 0.030 0.000 2.317 45 Q HA 0.157 4.493 4.340 -0.006 0.000 0.229 45 Q C -0.127 175.915 176.000 0.070 0.000 0.984 45 Q CA -0.258 55.618 55.803 0.122 0.000 0.911 45 Q CB 0.849 29.643 28.738 0.093 0.000 1.217 45 Q HN -0.172 8.098 8.270 -0.000 0.000 0.501 46 K N 0.764 121.139 120.400 -0.042 0.000 2.524 46 K HA -0.010 4.306 4.320 -0.006 0.000 0.279 46 K C 0.117 176.563 176.600 -0.258 0.000 0.993 46 K CA 1.624 57.752 56.287 -0.265 0.000 1.030 46 K CB -0.138 32.017 32.500 -0.574 0.000 0.891 46 K HN 0.889 9.139 8.250 -0.000 0.000 0.488 47 T N -0.218 114.203 114.554 -0.222 0.000 6.974 47 T HA -0.238 4.109 4.350 -0.006 0.000 0.287 47 T C 1.097 175.760 174.700 -0.060 0.000 2.146 47 T CA 1.817 63.813 62.100 -0.174 0.000 3.451 47 T CB -2.214 66.412 68.868 -0.403 0.000 1.630 47 T HN 1.551 9.791 8.240 -0.000 0.000 1.173 48 G N -0.446 108.340 108.800 -0.022 0.000 2.195 48 G HA2 0.147 4.103 3.960 -0.006 0.000 0.246 48 G HA3 0.147 4.103 3.960 -0.006 0.000 0.246 48 G C 0.455 175.375 174.900 0.033 0.000 0.984 48 G CA 1.045 46.159 45.100 0.024 0.000 0.633 48 G HN 2.599 10.889 8.290 -0.000 0.000 0.525 49 S N -1.130 114.561 115.700 -0.016 0.000 2.643 49 S HA 0.656 5.122 4.470 -0.006 0.000 0.270 49 S C 0.712 175.291 174.600 -0.035 0.000 1.166 49 S CA 0.070 58.262 58.200 -0.013 0.000 0.815 49 S CB 0.506 63.626 63.200 -0.134 0.000 1.139 49 S HN 1.382 9.692 8.310 -0.000 0.000 0.472 50 F N 0.780 120.767 119.950 0.062 0.000 2.451 50 F HA 0.324 4.845 4.527 -0.010 0.000 0.299 50 F C 1.795 177.637 175.800 0.071 0.000 1.101 50 F CA 0.458 58.498 58.000 0.066 0.000 1.436 50 F CB -0.510 38.534 39.000 0.073 0.000 1.074 50 F HN 0.404 8.704 8.300 -0.000 0.000 0.553 51 K N 1.528 121.500 120.400 -0.713 0.000 2.211 51 K HA -0.109 4.208 4.320 -0.006 0.000 0.204 51 K C 2.304 178.853 176.600 -0.085 0.000 1.047 51 K CA 1.103 57.143 56.287 -0.412 0.000 0.935 51 K CB -0.861 31.421 32.500 -0.363 0.000 0.728 51 K HN 0.496 8.746 8.250 -0.000 0.000 0.452 52 A N 1.637 124.411 122.820 -0.076 0.000 1.933 52 A HA -0.199 4.118 4.320 -0.006 0.000 0.218 52 A C 2.227 179.854 177.584 0.073 0.000 1.175 52 A CA 1.309 53.342 52.037 -0.007 0.000 0.628 52 A CB -0.345 18.625 19.000 -0.050 0.000 0.814 52 A HN 0.287 8.437 8.150 -0.000 0.000 0.444 53 R N -0.894 119.672 120.500 0.109 0.000 2.082 53 R HA -0.116 4.221 4.340 -0.006 0.000 0.234 53 R C 2.472 178.857 176.300 0.142 0.000 1.136 53 R CA 1.400 57.588 56.100 0.147 0.000 0.935 53 R CB -0.859 29.564 30.300 0.205 0.000 0.842 53 R HN 0.508 8.778 8.270 -0.000 0.000 0.430 54 G N 0.686 109.592 108.800 0.175 0.000 2.421 54 G HA2 -0.279 3.678 3.960 -0.006 0.000 0.216 54 G HA3 -0.279 3.678 3.960 -0.006 0.000 0.216 54 G C 1.584 176.564 174.900 0.133 0.000 1.171 54 G CA 0.865 46.067 45.100 0.171 0.000 0.775 54 G HN 0.432 8.722 8.290 -0.000 0.000 0.543 55 A N 0.504 123.394 122.820 0.117 0.000 1.877 55 A HA 0.068 4.384 4.320 -0.006 0.000 0.216 55 A C 2.460 180.046 177.584 0.004 0.000 1.186 55 A CA 1.400 53.470 52.037 0.055 0.000 0.620 55 A CB -0.461 18.511 19.000 -0.046 0.000 0.822 55 A HN 0.354 8.504 8.150 -0.000 0.000 0.443 56 L N -0.768 120.459 121.223 0.007 0.000 2.093 56 L HA -0.143 4.194 4.340 -0.006 0.000 0.208 56 L C 2.930 179.791 176.870 -0.014 0.000 1.085 56 L CA 1.373 56.191 54.840 -0.036 0.000 0.755 56 L CB -0.378 41.678 42.059 -0.004 0.000 0.904 56 L HN 0.515 8.745 8.230 -0.000 0.000 0.435 57 S N 0.110 115.830 115.700 0.034 0.000 2.359 57 S HA -0.280 4.186 4.470 -0.006 0.000 0.224 57 S C 2.065 176.681 174.600 0.026 0.000 1.035 57 S CA 2.100 60.325 58.200 0.041 0.000 1.018 57 S CB -0.051 63.193 63.200 0.074 0.000 0.876 57 S HN 0.279 8.589 8.310 -0.000 0.000 0.448 58 K N 1.309 121.727 120.400 0.031 0.000 2.031 58 K HA 0.249 4.565 4.320 -0.006 0.000 0.205 58 K C 2.115 178.709 176.600 -0.010 0.000 1.049 58 K CA 1.508 57.809 56.287 0.023 0.000 0.939 58 K CB -1.047 31.479 32.500 0.045 0.000 0.717 58 K HN 0.298 8.548 8.250 -0.000 0.000 0.438 59 A N 0.809 123.606 122.820 -0.037 0.000 1.908 59 A HA -0.088 4.228 4.320 -0.006 0.000 0.218 59 A C 2.142 179.673 177.584 -0.089 0.000 1.181 59 A CA 1.672 53.662 52.037 -0.078 0.000 0.627 59 A CB -0.751 18.174 19.000 -0.126 0.000 0.818 59 A HN 0.343 8.493 8.150 -0.000 0.000 0.445 60 L N -1.147 120.023 121.223 -0.088 0.000 2.478 60 L HA -0.018 4.319 4.340 -0.006 0.000 0.223 60 L C 2.525 179.370 176.870 -0.041 0.000 1.140 60 L CA 0.585 55.375 54.840 -0.083 0.000 0.842 60 L CB -0.204 41.808 42.059 -0.078 0.000 0.953 60 L HN 0.424 8.654 8.230 -0.000 0.000 0.452 61 A N -0.514 122.292 122.820 -0.024 0.000 2.238 61 A HA 0.246 4.563 4.320 -0.006 0.000 0.210 61 A C 0.942 178.519 177.584 -0.010 0.000 1.179 61 A CA -0.174 51.858 52.037 -0.008 0.000 0.827 61 A CB -0.033 18.971 19.000 0.007 0.000 0.856 61 A HN 0.207 8.357 8.150 -0.000 0.000 0.488 62 L N 1.484 122.693 121.223 -0.022 0.000 2.367 62 L HA 0.207 4.543 4.340 -0.006 0.000 0.275 62 L C 0.395 177.251 176.870 -0.023 0.000 1.129 62 L CA -0.430 54.397 54.840 -0.020 0.000 0.839 62 L CB 0.945 42.987 42.059 -0.029 0.000 1.133 62 L HN 0.503 8.733 8.230 -0.000 0.000 0.453 63 E N 3.835 124.027 120.200 -0.013 0.000 2.130 63 E HA 0.150 4.496 4.350 -0.006 0.000 0.284 63 E C -0.542 176.050 176.600 -0.014 0.000 1.018 63 E CA -0.605 55.787 56.400 -0.013 0.000 0.817 63 E CB 0.230 29.927 29.700 -0.005 0.000 1.078 63 E HN 0.607 8.967 8.360 -0.000 0.000 0.396 64 N N 3.583 122.269 118.700 -0.022 0.000 2.669 64 N HA -0.141 4.596 4.740 -0.006 0.000 0.266 64 N C -2.200 173.299 175.510 -0.018 0.000 1.024 64 N CA -0.034 53.002 53.050 -0.022 0.000 0.766 64 N CB -0.779 37.700 38.487 -0.013 0.000 0.898 64 N HN 0.607 8.987 8.380 -0.000 0.000 0.548 65 P HA 0.124 4.544 4.420 -0.000 0.000 0.282 65 P C 0.193 177.473 177.300 -0.033 0.000 1.249 65 P CA -0.379 62.706 63.100 -0.024 0.000 0.806 65 P CB 1.284 32.956 31.700 -0.046 0.000 0.984 66 K N 0.644 121.054 120.400 0.017 0.000 2.116 66 K HA 0.166 4.482 4.320 -0.006 0.000 0.203 66 K C 1.205 177.721 176.600 -0.140 0.000 1.052 66 K CA 1.026 57.339 56.287 0.043 0.000 0.952 66 K CB -0.087 32.534 32.500 0.202 0.000 0.729 66 K HN 0.752 9.002 8.250 -0.000 0.000 0.446 67 G N 0.070 108.659 108.800 -0.353 0.000 2.506 67 G HA2 0.444 4.400 3.960 -0.006 0.000 0.292 67 G HA3 0.444 4.400 3.960 -0.006 0.000 0.292 67 G C -1.852 172.662 174.900 -0.643 0.000 1.425 67 G CA -0.925 43.575 45.100 -0.999 0.000 0.788 67 G HN -0.032 8.258 8.290 -0.000 0.000 0.490 68 L N 0.607 121.501 121.223 -0.547 0.000 2.334 68 L HA 0.678 5.014 4.340 -0.006 0.000 0.276 68 L C -0.675 176.163 176.870 -0.053 0.000 1.014 68 L CA -1.064 53.655 54.840 -0.201 0.000 0.815 68 L CB 1.951 43.904 42.059 -0.177 0.000 1.268 68 L HN 0.338 8.568 8.230 -0.000 0.000 0.428 69 L N 2.694 123.948 121.223 0.053 0.000 2.362 69 L HA 0.876 5.213 4.340 -0.006 0.000 0.275 69 L C -0.918 175.972 176.870 0.034 0.000 0.998 69 L CA -0.177 54.719 54.840 0.094 0.000 0.820 69 L CB 1.708 43.854 42.059 0.145 0.000 1.270 69 L HN 0.804 9.034 8.230 -0.000 0.000 0.415 70 A N 3.668 126.497 122.820 0.014 0.000 2.449 70 A HA 0.736 5.053 4.320 -0.006 0.000 0.302 70 A C 0.315 177.910 177.584 0.019 0.000 1.048 70 A CA 0.136 52.179 52.037 0.010 0.000 0.708 70 A CB 1.373 20.317 19.000 -0.093 0.000 1.274 70 A HN 0.848 8.998 8.150 -0.000 0.000 0.410 71 V N 1.204 121.129 119.914 0.019 0.000 2.273 71 V HA 0.249 4.366 4.120 -0.006 0.000 0.206 71 V C 1.653 177.756 176.094 0.015 0.000 0.970 71 V CA 2.880 65.174 62.300 -0.010 0.000 1.050 71 V CB -0.886 30.884 31.823 -0.089 0.000 0.672 71 V HN 1.268 9.458 8.190 -0.000 0.000 0.471 72 S N -4.860 110.856 115.700 0.026 0.000 4.274 72 S HA 0.338 4.804 4.470 -0.006 0.000 0.171 72 S C 1.251 175.890 174.600 0.065 0.000 1.154 72 S CA 1.548 59.770 58.200 0.037 0.000 1.145 72 S CB 0.523 63.737 63.200 0.025 0.000 1.986 72 S HN 2.557 10.867 8.310 -0.000 0.000 0.795 73 S N -0.560 115.171 115.700 0.052 0.000 1.707 73 S HA -0.140 4.327 4.470 -0.006 0.000 0.235 73 S C 2.050 176.680 174.600 0.051 0.000 0.875 73 S CA 2.910 61.148 58.200 0.064 0.000 1.437 73 S CB -2.196 61.060 63.200 0.092 0.000 1.819 73 S HN 2.512 10.822 8.310 -0.000 0.000 0.531 74 G N 1.322 110.147 108.800 0.042 0.000 4.024 74 G HA2 -0.336 3.620 3.960 -0.006 0.000 0.206 74 G HA3 -0.336 3.620 3.960 -0.006 0.000 0.206 74 G C 0.615 175.518 174.900 0.005 0.000 1.608 74 G CA 0.954 46.069 45.100 0.025 0.000 1.221 74 G HN 0.776 9.066 8.290 -0.000 0.000 0.623 75 N N 0.097 118.796 118.700 -0.002 0.000 2.188 75 N HA -0.064 4.673 4.740 -0.006 0.000 0.184 75 N C 1.834 177.306 175.510 -0.064 0.000 1.018 75 N CA 1.215 54.234 53.050 -0.052 0.000 0.858 75 N CB -0.178 38.256 38.487 -0.089 0.000 0.989 75 N HN 0.578 8.958 8.380 -0.000 0.000 0.426 76 H N 0.844 119.843 119.070 -0.118 0.000 2.423 76 H HA 0.118 4.669 4.556 -0.008 0.000 0.297 76 H C 1.877 177.143 175.328 -0.102 0.000 1.075 76 H CA 1.340 57.318 56.048 -0.118 0.000 1.342 76 H CB -0.122 29.587 29.762 -0.088 0.000 1.395 76 H HN 0.216 8.496 8.280 -0.000 0.000 0.530 77 A N 0.423 123.172 122.820 -0.117 0.000 1.877 77 A HA -0.228 4.089 4.320 -0.006 0.000 0.216 77 A C 2.284 179.755 177.584 -0.187 0.000 1.186 77 A CA 1.819 53.767 52.037 -0.149 0.000 0.620 77 A CB -0.555 18.414 19.000 -0.051 0.000 0.822 77 A HN 0.636 8.786 8.150 -0.000 0.000 0.443 78 Q N -0.793 118.901 119.800 -0.177 0.000 2.084 78 Q HA -0.088 4.249 4.340 -0.006 0.000 0.202 78 Q C 2.225 177.985 176.000 -0.399 0.000 0.978 78 Q CA 1.123 56.749 55.803 -0.294 0.000 0.844 78 Q CB -0.464 28.113 28.738 -0.268 0.000 0.898 78 Q HN 0.685 8.955 8.270 -0.000 0.000 0.426 79 G N 0.438 109.055 108.800 -0.305 0.000 2.446 79 G HA2 -0.237 3.719 3.960 -0.006 0.000 0.217 79 G HA3 -0.237 3.719 3.960 -0.006 0.000 0.217 79 G C 1.515 176.277 174.900 -0.229 0.000 1.168 79 G CA 0.948 45.904 45.100 -0.240 0.000 0.771 79 G HN 0.217 8.507 8.290 -0.000 0.000 0.551 80 V N 1.449 121.157 119.914 -0.343 0.000 2.358 80 V HA -0.087 4.029 4.120 -0.006 0.000 0.246 80 V C 3.309 179.282 176.094 -0.202 0.000 1.047 80 V CA 1.904 64.027 62.300 -0.296 0.000 1.035 80 V CB -0.751 30.847 31.823 -0.375 0.000 0.658 80 V HN 0.489 8.679 8.190 -0.000 0.000 0.452 81 A N -0.588 122.123 122.820 -0.181 0.000 1.883 81 A HA -0.292 4.025 4.320 -0.006 0.000 0.217 81 A C 2.185 179.732 177.584 -0.062 0.000 1.186 81 A CA 2.236 54.217 52.037 -0.093 0.000 0.624 81 A CB -0.848 18.137 19.000 -0.024 0.000 0.822 81 A HN 0.622 8.772 8.150 -0.000 0.000 0.444 82 Y N 0.767 120.891 120.300 -0.293 0.000 2.128 82 Y HA -0.142 4.403 4.550 -0.008 0.000 0.284 82 Y C 2.661 178.465 175.900 -0.160 0.000 1.154 82 Y CA 1.327 59.298 58.100 -0.215 0.000 1.149 82 Y CB -0.780 37.462 38.460 -0.362 0.000 0.976 82 Y HN 0.300 8.580 8.280 -0.000 0.000 0.505 83 A N 0.490 123.139 122.820 -0.284 0.000 1.978 83 A HA -0.115 4.202 4.320 -0.006 0.000 0.220 83 A C 2.446 179.832 177.584 -0.330 0.000 1.170 83 A CA 1.931 53.748 52.037 -0.367 0.000 0.636 83 A CB -1.477 17.388 19.000 -0.224 0.000 0.810 83 A HN 0.633 8.783 8.150 -0.000 0.000 0.448 84 A N -0.709 121.967 122.820 -0.240 0.000 1.902 84 A HA -0.205 4.111 4.320 -0.006 0.000 0.217 84 A C 2.137 179.598 177.584 -0.205 0.000 1.181 84 A CA 1.572 53.483 52.037 -0.208 0.000 0.623 84 A CB -0.520 18.381 19.000 -0.164 0.000 0.818 84 A HN 0.655 8.805 8.150 -0.000 0.000 0.443 85 Q N -0.421 119.262 119.800 -0.195 0.000 2.020 85 Q HA -0.131 4.205 4.340 -0.006 0.000 0.202 85 Q C 2.226 178.078 176.000 -0.247 0.000 0.982 85 Q CA 1.731 57.436 55.803 -0.164 0.000 0.838 85 Q CB -0.486 28.205 28.738 -0.079 0.000 0.899 85 Q HN 0.490 8.760 8.270 -0.000 0.000 0.423 86 V N 1.511 121.170 119.914 -0.425 0.000 2.282 86 V HA -0.272 3.845 4.120 -0.006 0.000 0.249 86 V C 2.218 178.094 176.094 -0.363 0.000 1.057 86 V CA 1.686 63.694 62.300 -0.487 0.000 1.032 86 V CB -0.518 30.818 31.823 -0.811 0.000 0.645 86 V HN 0.345 8.535 8.190 -0.000 0.000 0.447 87 L N -0.067 120.963 121.223 -0.322 0.000 2.395 87 L HA 0.186 4.522 4.340 -0.006 0.000 0.218 87 L C 1.699 178.467 176.870 -0.169 0.000 1.130 87 L CA 0.923 55.622 54.840 -0.235 0.000 0.826 87 L CB -0.585 41.344 42.059 -0.216 0.000 0.941 87 L HN 0.611 8.841 8.230 -0.000 0.000 0.451 88 G N 0.855 109.557 108.800 -0.162 0.000 2.182 88 G HA2 -0.215 3.742 3.960 -0.006 0.000 0.248 88 G HA3 -0.215 3.742 3.960 -0.006 0.000 0.248 88 G C 0.065 174.896 174.900 -0.114 0.000 1.042 88 G CA 0.252 45.282 45.100 -0.117 0.000 0.775 88 G HN 0.281 8.571 8.290 -0.000 0.000 0.501 89 V N -4.374 115.452 119.914 -0.146 0.000 3.181 89 V HA 0.900 5.017 4.120 -0.006 0.000 0.314 89 V C 0.371 176.354 176.094 -0.186 0.000 1.173 89 V CA -1.750 60.450 62.300 -0.166 0.000 1.052 89 V CB 1.514 33.211 31.823 -0.211 0.000 1.123 89 V HN 0.249 8.439 8.190 -0.000 0.000 0.454 90 K N 0.975 121.233 120.400 -0.237 0.000 2.144 90 K HA 0.768 5.085 4.320 -0.006 0.000 0.270 90 K C -0.363 176.051 176.600 -0.310 0.000 1.005 90 K CA 0.098 56.259 56.287 -0.210 0.000 0.932 90 K CB 1.578 34.006 32.500 -0.119 0.000 1.021 90 K HN 1.087 9.337 8.250 -0.000 0.000 0.462 91 A N 3.186 125.911 122.820 -0.159 0.000 2.330 91 A HA 0.484 4.801 4.320 -0.006 0.000 0.313 91 A C -1.169 176.406 177.584 -0.014 0.000 1.124 91 A CA -0.704 51.256 52.037 -0.128 0.000 0.774 91 A CB 0.567 19.504 19.000 -0.106 0.000 1.198 91 A HN 0.679 8.829 8.150 -0.000 0.000 0.465 92 L N 3.695 124.949 121.223 0.053 0.000 2.298 92 L HA 0.564 4.900 4.340 -0.006 0.000 0.284 92 L C -1.168 175.734 176.870 0.053 0.000 1.013 92 L CA -0.685 54.218 54.840 0.105 0.000 0.824 92 L CB 1.646 43.837 42.059 0.221 0.000 1.221 92 L HN 0.483 8.713 8.230 -0.000 0.000 0.418 93 V N 5.207 125.136 119.914 0.026 0.000 2.459 93 V HA 0.324 4.441 4.120 -0.006 0.000 0.295 93 V C -0.090 176.013 176.094 0.015 0.000 1.029 93 V CA -0.625 61.680 62.300 0.007 0.000 0.874 93 V CB 2.042 33.858 31.823 -0.012 0.000 0.985 93 V HN 0.388 8.578 8.190 -0.000 0.000 0.438 94 V N 6.608 126.531 119.914 0.014 0.000 2.259 94 V HA 0.414 4.531 4.120 -0.006 0.000 0.267 94 V C 0.131 176.233 176.094 0.013 0.000 1.051 94 V CA -0.058 62.250 62.300 0.014 0.000 0.830 94 V CB 0.523 32.354 31.823 0.013 0.000 1.080 94 V HN 0.796 8.986 8.190 -0.000 0.000 0.467 95 M N 6.022 125.631 119.600 0.014 0.000 2.598 95 M HA 0.553 5.030 4.480 -0.006 0.000 0.317 95 M C -1.932 174.378 176.300 0.016 0.000 1.201 95 M CA -1.698 53.611 55.300 0.016 0.000 0.971 95 M CB 1.863 34.474 32.600 0.018 0.000 1.657 95 M HN 0.323 8.613 8.290 -0.000 0.000 0.470 104 K N 2.148 122.573 120.400 0.041 0.000 2.044 104 K HA 0.130 4.447 4.320 -0.006 0.000 0.204 104 K C 1.789 178.416 176.600 0.045 0.000 1.049 104 K CA 1.688 57.998 56.287 0.038 0.000 0.945 104 K CB -0.002 32.517 32.500 0.031 0.000 0.724 104 K HN 0.150 8.400 8.250 -0.000 0.000 0.440 105 A N 1.022 123.869 122.820 0.045 0.000 1.902 105 A HA -0.163 4.153 4.320 -0.006 0.000 0.217 105 A C 2.667 180.285 177.584 0.056 0.000 1.181 105 A CA 1.721 53.783 52.037 0.042 0.000 0.623 105 A CB -1.018 18.003 19.000 0.035 0.000 0.818 105 A HN 0.516 8.666 8.150 -0.000 0.000 0.443 106 C N -1.020 118.328 119.300 0.080 0.000 2.432 106 C HA 0.071 4.527 4.460 -0.006 0.000 0.277 106 C C 3.318 178.451 174.990 0.239 0.000 1.249 106 C CA 0.704 59.805 59.018 0.138 0.000 1.725 106 C CB -1.406 26.433 27.740 0.165 0.000 2.028 106 C HN 0.710 8.940 8.230 -0.000 0.000 0.477 107 A N 0.595 123.514 122.820 0.165 0.000 1.883 107 A HA -0.261 4.056 4.320 -0.006 0.000 0.217 107 A C 2.259 179.929 177.584 0.143 0.000 1.186 107 A CA 2.044 54.166 52.037 0.141 0.000 0.624 107 A CB -0.719 18.308 19.000 0.045 0.000 0.822 107 A HN 0.643 8.793 8.150 -0.000 0.000 0.444 108 R N -0.513 120.040 120.500 0.089 0.000 2.127 108 R HA -0.123 4.214 4.340 -0.006 0.000 0.238 108 R C 2.271 178.606 176.300 0.058 0.000 1.134 108 R CA 1.385 57.521 56.100 0.060 0.000 0.975 108 R CB -0.391 29.933 30.300 0.039 0.000 0.865 108 R HN 0.490 8.760 8.270 -0.000 0.000 0.447 109 A N 0.123 122.977 122.820 0.056 0.000 1.858 109 A HA -0.181 4.135 4.320 -0.006 0.000 0.216 109 A C 1.576 179.138 177.584 -0.036 0.000 1.190 109 A CA 1.210 53.233 52.037 -0.023 0.000 0.617 109 A CB -0.947 17.994 19.000 -0.099 0.000 0.827 109 A HN 0.496 8.646 8.150 -0.000 0.000 0.443 110 Y N 0.197 120.501 120.300 0.007 0.000 2.874 110 Y HA 0.136 4.683 4.550 -0.005 0.000 0.311 110 Y C 1.775 177.676 175.900 0.002 0.000 1.174 110 Y CA 0.838 58.949 58.100 0.018 0.000 1.414 110 Y CB -0.725 37.757 38.460 0.036 0.000 0.987 110 Y HN 0.551 8.831 8.280 -0.000 0.000 0.547 111 G N -0.815 108.040 108.800 0.092 0.000 2.132 111 G HA2 -0.106 3.850 3.960 -0.006 0.000 0.228 111 G HA3 -0.106 3.850 3.960 -0.006 0.000 0.228 111 G C -0.036 174.888 174.900 0.040 0.000 1.000 111 G CA -0.127 45.001 45.100 0.047 0.000 0.693 111 G HN 0.684 8.974 8.290 -0.000 0.000 0.515 112 A N 0.051 122.904 122.820 0.055 0.000 2.318 112 A HA 0.733 5.050 4.320 -0.006 0.000 0.324 112 A C 0.175 177.778 177.584 0.031 0.000 1.170 112 A CA -0.493 51.562 52.037 0.030 0.000 0.810 112 A CB 0.778 19.791 19.000 0.022 0.000 1.198 112 A HN 0.365 8.515 8.150 -0.000 0.000 0.484 113 E N 1.607 121.825 120.200 0.029 0.000 2.223 113 E HA 0.337 4.683 4.350 -0.006 0.000 0.282 113 E C -0.627 175.990 176.600 0.029 0.000 1.046 113 E CA -0.233 56.185 56.400 0.031 0.000 0.857 113 E CB 1.265 30.988 29.700 0.038 0.000 1.055 113 E HN 0.402 8.762 8.360 -0.000 0.000 0.409 114 V N 3.907 123.836 119.914 0.025 0.000 2.743 114 V HA 0.370 4.487 4.120 -0.006 0.000 0.301 114 V C 0.374 176.480 176.094 0.020 0.000 1.057 114 V CA -0.401 61.912 62.300 0.022 0.000 1.006 114 V CB 1.661 33.497 31.823 0.022 0.000 1.024 114 V HN 0.434 8.624 8.190 -0.000 0.000 0.473 124 R N 0.171 120.678 120.500 0.012 0.000 3.028 124 R HA -0.376 3.960 4.340 -0.006 0.000 0.677 124 R C 2.035 178.341 176.300 0.011 0.000 0.418 124 R CA 5.142 61.249 56.100 0.011 0.000 1.668 124 R CB -2.712 27.596 30.300 0.014 0.000 0.613 124 R HN 1.259 9.529 8.270 -0.000 0.000 0.556 125 E N -0.186 120.023 120.200 0.014 0.000 2.446 125 E HA -0.425 3.922 4.350 -0.006 0.000 0.248 125 E C 1.932 178.540 176.600 0.012 0.000 1.081 125 E CA 2.774 59.184 56.400 0.017 0.000 1.143 125 E CB -1.189 28.525 29.700 0.022 0.000 1.012 125 E HN 0.910 9.270 8.360 -0.000 0.000 0.487 126 E N 0.137 120.343 120.200 0.010 0.000 2.110 126 E HA -0.077 4.269 4.350 -0.006 0.000 0.193 126 E C 2.426 179.027 176.600 0.003 0.000 0.988 126 E CA 1.391 57.795 56.400 0.006 0.000 0.804 126 E CB -0.805 28.898 29.700 0.005 0.000 0.745 126 E HN 0.556 8.916 8.360 -0.000 0.000 0.458 127 V N 1.754 121.670 119.914 0.004 0.000 2.343 127 V HA -0.223 3.893 4.120 -0.006 0.000 0.247 127 V C 2.445 178.539 176.094 -0.000 0.000 1.051 127 V CA 1.810 64.110 62.300 0.001 0.000 1.036 127 V CB -0.982 30.843 31.823 0.004 0.000 0.654 127 V HN 0.266 8.456 8.190 -0.000 0.000 0.451 128 A N 0.093 122.915 122.820 0.004 0.000 1.873 128 A HA -0.218 4.099 4.320 -0.006 0.000 0.215 128 A C 2.421 180.006 177.584 0.002 0.000 1.186 128 A CA 1.879 53.920 52.037 0.007 0.000 0.616 128 A CB -0.596 18.412 19.000 0.012 0.000 0.823 128 A HN 0.449 8.599 8.150 -0.000 0.000 0.442 129 R N -0.272 120.230 120.500 0.004 0.000 2.112 129 R HA -0.213 4.124 4.340 -0.006 0.000 0.242 129 R C 2.231 178.525 176.300 -0.010 0.000 1.137 129 R CA 1.833 57.934 56.100 0.000 0.000 0.944 129 R CB -0.488 29.813 30.300 0.003 0.000 0.857 129 R HN 0.444 8.714 8.270 -0.000 0.000 0.435 130 A N 0.435 123.248 122.820 -0.012 0.000 2.070 130 A HA -0.095 4.222 4.320 -0.006 0.000 0.220 130 A C 2.100 179.662 177.584 -0.036 0.000 1.159 130 A CA 1.111 53.136 52.037 -0.021 0.000 0.656 130 A CB -0.258 18.732 19.000 -0.017 0.000 0.800 130 A HN 0.369 8.519 8.150 -0.000 0.000 0.453 131 L N -1.674 119.527 121.223 -0.037 0.000 2.168 131 L HA -0.066 4.271 4.340 -0.006 0.000 0.203 131 L C 2.748 179.566 176.870 -0.087 0.000 1.078 131 L CA 0.837 55.639 54.840 -0.064 0.000 0.780 131 L CB -0.450 41.583 42.059 -0.043 0.000 0.939 131 L HN 0.389 8.619 8.230 -0.000 0.000 0.451 132 Q N 1.050 120.824 119.800 -0.043 0.000 2.135 132 Q HA -0.239 4.097 4.340 -0.006 0.000 0.204 132 Q C 1.726 177.697 176.000 -0.048 0.000 0.981 132 Q CA 1.854 57.640 55.803 -0.029 0.000 0.856 132 Q CB 0.112 28.853 28.738 0.004 0.000 0.902 132 Q HN 0.602 8.872 8.270 -0.000 0.000 0.425 133 E N -0.221 119.951 120.200 -0.046 0.000 2.170 133 E HA -0.125 4.222 4.350 -0.006 0.000 0.191 133 E C 1.866 178.424 176.600 -0.069 0.000 0.981 133 E CA 0.641 57.015 56.400 -0.044 0.000 0.830 133 E CB 0.009 29.690 29.700 -0.030 0.000 0.775 133 E HN 0.396 8.756 8.360 -0.000 0.000 0.470 134 E N 0.595 120.742 120.200 -0.089 0.000 2.046 134 E HA -0.139 4.208 4.350 -0.006 0.000 0.190 134 E C 2.048 178.544 176.600 -0.173 0.000 0.982 134 E CA 1.890 58.225 56.400 -0.108 0.000 0.800 134 E CB 0.197 29.838 29.700 -0.099 0.000 0.756 134 E HN 0.282 8.642 8.360 -0.000 0.000 0.449 135 T N -4.005 110.379 114.554 -0.283 0.000 3.039 135 T HA 0.240 4.587 4.350 -0.006 0.000 0.250 135 T C 1.554 176.011 174.700 -0.407 0.000 1.052 135 T CA 0.511 62.294 62.100 -0.528 0.000 1.125 135 T CB 0.463 68.647 68.868 -1.140 0.000 0.908 135 T HN 0.329 8.569 8.240 -0.000 0.000 0.473 136 G N 0.859 109.529 108.800 -0.216 0.000 2.136 136 G HA2 -0.218 3.739 3.960 -0.006 0.000 0.242 136 G HA3 -0.218 3.739 3.960 -0.006 0.000 0.242 136 G C -0.128 174.835 174.900 0.105 0.000 0.989 136 G CA 0.053 45.127 45.100 -0.045 0.000 0.682 136 G HN 0.545 8.835 8.290 -0.000 0.000 0.522 137 Y N 0.264 120.557 120.300 -0.012 0.000 2.330 137 Y HA 0.581 5.129 4.550 -0.004 0.000 0.341 137 Y C 1.040 176.932 175.900 -0.013 0.000 1.278 137 Y CA -1.155 56.935 58.100 -0.016 0.000 1.453 137 Y CB 0.410 38.859 38.460 -0.019 0.000 1.342 137 Y HN 0.485 8.765 8.280 -0.000 0.000 0.590 138 A N 2.676 125.584 122.820 0.147 0.000 2.320 138 A HA 0.402 4.719 4.320 -0.006 0.000 0.287 138 A C -0.460 177.164 177.584 0.067 0.000 1.181 138 A CA -0.615 51.465 52.037 0.071 0.000 0.831 138 A CB -0.254 18.760 19.000 0.024 0.000 1.102 138 A HN 0.789 8.939 8.150 -0.000 0.000 0.513 139 L N 3.792 125.052 121.223 0.063 0.000 2.319 139 L HA 0.428 4.764 4.340 -0.006 0.000 0.280 139 L C -0.781 176.129 176.870 0.065 0.000 1.099 139 L CA -0.238 54.639 54.840 0.062 0.000 0.828 139 L CB 0.405 42.499 42.059 0.058 0.000 1.150 139 L HN 0.622 8.852 8.230 -0.000 0.000 0.442 140 I N 4.643 125.261 120.570 0.080 0.000 2.405 140 I HA 0.161 4.327 4.170 -0.006 0.000 0.280 140 I C -0.315 175.913 176.117 0.186 0.000 1.027 140 I CA -0.651 60.723 61.300 0.123 0.000 1.161 140 I CB 1.069 39.130 38.000 0.101 0.000 1.300 140 I HN 0.595 8.805 8.210 -0.000 0.000 0.463 141 H N 8.527 127.593 119.070 -0.007 0.000 2.732 141 H HA 0.153 4.705 4.556 -0.007 0.000 0.351 141 H C -1.440 173.658 175.328 -0.383 0.000 1.090 141 H CA -0.809 55.128 56.048 -0.185 0.000 1.431 141 H CB 1.282 30.893 29.762 -0.252 0.000 1.447 141 H HN 0.316 8.596 8.280 -0.000 0.000 0.582 142 P HA -0.108 4.312 4.420 -0.000 0.000 0.226 142 P C -0.080 177.095 177.300 -0.209 0.000 1.153 142 P CA 1.171 63.633 63.100 -1.063 0.000 0.777 142 P CB 0.157 31.346 31.700 -0.851 0.000 0.794 143 F N -3.619 116.413 119.950 0.137 0.000 2.866 143 F HA 0.387 4.910 4.527 -0.007 0.000 0.400 143 F C 0.165 176.059 175.800 0.157 0.000 0.898 143 F CA -0.527 57.570 58.000 0.162 0.000 1.010 143 F CB -0.840 38.238 39.000 0.130 0.000 1.168 143 F HN -0.346 7.954 8.300 -0.000 0.000 0.575 144 D N 2.283 122.688 120.400 0.008 0.000 3.168 144 D HA 0.170 4.807 4.640 -0.006 0.000 0.255 144 D C -0.997 175.210 176.300 -0.154 0.000 1.314 144 D CA 0.486 54.394 54.000 -0.153 0.000 0.900 144 D CB -0.149 40.296 40.800 -0.592 0.000 1.072 144 D HN 0.331 8.701 8.370 -0.000 0.000 0.487 145 D N -0.455 119.948 120.400 0.004 0.000 2.936 145 D HA 0.159 4.796 4.640 -0.006 0.000 0.238 145 D C -2.059 174.273 176.300 0.053 0.000 1.248 145 D CA -1.964 52.047 54.000 0.019 0.000 0.903 145 D CB 2.530 43.358 40.800 0.046 0.000 1.544 145 D HN -0.136 8.234 8.370 -0.000 0.000 0.543 146 P HA -0.100 4.320 4.420 -0.000 0.000 0.216 146 P C 1.719 179.056 177.300 0.062 0.000 1.157 146 P CA 1.058 64.188 63.100 0.050 0.000 0.880 146 P CB 0.384 32.106 31.700 0.037 0.000 0.791 147 L N -1.634 119.624 121.223 0.059 0.000 2.141 147 L HA -0.112 4.224 4.340 -0.006 0.000 0.209 147 L C 2.342 179.262 176.870 0.084 0.000 1.094 147 L CA 1.022 55.901 54.840 0.064 0.000 0.763 147 L CB -0.848 41.242 42.059 0.051 0.000 0.908 147 L HN -0.121 8.109 8.230 -0.000 0.000 0.437 148 V N 0.131 120.101 119.914 0.095 0.000 2.358 148 V HA -0.266 3.851 4.120 -0.006 0.000 0.246 148 V C 2.293 178.473 176.094 0.144 0.000 1.047 148 V CA 1.706 64.081 62.300 0.125 0.000 1.035 148 V CB -0.227 31.674 31.823 0.129 0.000 0.658 148 V HN 0.299 8.489 8.190 -0.000 0.000 0.452 149 I N 0.483 121.130 120.570 0.128 0.000 2.226 149 I HA -0.230 3.936 4.170 -0.006 0.000 0.245 149 I C 2.662 178.842 176.117 0.106 0.000 1.100 149 I CA 1.435 62.809 61.300 0.124 0.000 1.374 149 I CB -0.566 37.497 38.000 0.104 0.000 1.057 149 I HN 0.280 8.490 8.210 -0.000 0.000 0.413 150 A N 0.901 123.779 122.820 0.096 0.000 1.908 150 A HA -0.153 4.164 4.320 -0.006 0.000 0.218 150 A C 2.439 180.089 177.584 0.110 0.000 1.181 150 A CA 1.994 54.087 52.037 0.093 0.000 0.627 150 A CB -1.458 17.594 19.000 0.086 0.000 0.818 150 A HN 0.464 8.614 8.150 -0.000 0.000 0.445 151 G N -0.903 107.970 108.800 0.122 0.000 2.421 151 G HA2 -0.207 3.749 3.960 -0.006 0.000 0.216 151 G HA3 -0.207 3.749 3.960 -0.006 0.000 0.216 151 G C 1.489 176.490 174.900 0.168 0.000 1.171 151 G CA 0.997 46.182 45.100 0.141 0.000 0.775 151 G HN 0.505 8.795 8.290 -0.000 0.000 0.543 152 Q N 0.623 120.535 119.800 0.186 0.000 2.124 152 Q HA -0.062 4.274 4.340 -0.006 0.000 0.202 152 Q C 2.701 178.756 176.000 0.092 0.000 0.977 152 Q CA 1.407 57.329 55.803 0.198 0.000 0.850 152 Q CB -1.146 27.708 28.738 0.193 0.000 0.901 152 Q HN 0.451 8.721 8.270 -0.000 0.000 0.429 153 G N 1.415 110.263 108.800 0.079 0.000 2.470 153 G HA2 -0.242 3.715 3.960 -0.006 0.000 0.220 153 G HA3 -0.242 3.715 3.960 -0.006 0.000 0.220 153 G C 1.545 176.478 174.900 0.056 0.000 1.121 153 G CA 1.487 46.616 45.100 0.048 0.000 0.766 153 G HN 0.540 8.830 8.290 -0.000 0.000 0.553 154 T N -0.918 113.695 114.554 0.099 0.000 2.897 154 T HA 0.092 4.439 4.350 -0.006 0.000 0.271 154 T C 2.464 177.208 174.700 0.072 0.000 1.084 154 T CA 1.530 63.697 62.100 0.112 0.000 1.123 154 T CB -0.268 68.749 68.868 0.249 0.000 0.865 154 T HN 0.314 8.554 8.240 -0.000 0.000 0.496 155 A N 1.461 124.326 122.820 0.075 0.000 2.019 155 A HA 0.293 4.610 4.320 -0.006 0.000 0.219 155 A C 2.632 180.220 177.584 0.007 0.000 1.164 155 A CA 1.405 53.473 52.037 0.052 0.000 0.644 155 A CB -1.381 17.644 19.000 0.042 0.000 0.805 155 A HN 0.621 8.771 8.150 -0.000 0.000 0.449 156 G N -0.394 108.403 108.800 -0.006 0.000 2.408 156 G HA2 -0.040 3.916 3.960 -0.006 0.000 0.215 156 G HA3 -0.040 3.916 3.960 -0.006 0.000 0.215 156 G C 1.517 176.399 174.900 -0.030 0.000 1.156 156 G CA 0.755 45.844 45.100 -0.019 0.000 0.793 156 G HN 0.410 8.700 8.290 -0.000 0.000 0.535 157 L N 0.190 121.386 121.223 -0.045 0.000 2.012 157 L HA -0.092 4.245 4.340 -0.006 0.000 0.210 157 L C 2.927 179.724 176.870 -0.123 0.000 1.073 157 L CA 1.392 56.177 54.840 -0.091 0.000 0.748 157 L CB -0.407 41.556 42.059 -0.159 0.000 0.891 157 L HN 0.299 8.529 8.230 -0.000 0.000 0.431 158 E N 0.078 120.203 120.200 -0.124 0.000 2.051 158 E HA -0.270 4.077 4.350 -0.006 0.000 0.192 158 E C 2.282 178.851 176.600 -0.052 0.000 0.991 158 E CA 1.131 57.475 56.400 -0.094 0.000 0.799 158 E CB -0.222 29.464 29.700 -0.023 0.000 0.748 158 E HN 0.403 8.763 8.360 -0.000 0.000 0.449 159 L N 1.044 122.247 121.223 -0.034 0.000 2.013 159 L HA -0.260 4.076 4.340 -0.006 0.000 0.212 159 L C 2.348 179.192 176.870 -0.043 0.000 1.073 159 L CA 1.271 56.093 54.840 -0.029 0.000 0.753 159 L CB -0.145 41.902 42.059 -0.020 0.000 0.890 159 L HN 0.192 8.422 8.230 -0.000 0.000 0.432 160 L N -0.835 120.364 121.223 -0.040 0.000 2.056 160 L HA -0.189 4.147 4.340 -0.006 0.000 0.207 160 L C 2.820 179.658 176.870 -0.054 0.000 1.078 160 L CA 1.120 55.938 54.840 -0.036 0.000 0.749 160 L CB -0.810 41.243 42.059 -0.011 0.000 0.901 160 L HN 0.329 8.559 8.230 -0.000 0.000 0.433 161 A N -0.234 122.552 122.820 -0.056 0.000 1.877 161 A HA -0.257 4.060 4.320 -0.006 0.000 0.216 161 A C 2.229 179.775 177.584 -0.062 0.000 1.186 161 A CA 1.670 53.674 52.037 -0.054 0.000 0.620 161 A CB -0.529 18.433 19.000 -0.063 0.000 0.822 161 A HN 0.471 8.621 8.150 -0.000 0.000 0.443 162 Q N -0.646 119.118 119.800 -0.060 0.000 2.084 162 Q HA -0.087 4.250 4.340 -0.006 0.000 0.202 162 Q C 2.417 178.359 176.000 -0.097 0.000 0.978 162 Q CA 1.441 57.209 55.803 -0.059 0.000 0.844 162 Q CB -0.407 28.308 28.738 -0.038 0.000 0.898 162 Q HN 0.676 8.946 8.270 -0.000 0.000 0.426 163 A N 0.971 123.716 122.820 -0.124 0.000 1.933 163 A HA -0.100 4.216 4.320 -0.006 0.000 0.218 163 A C 2.285 179.669 177.584 -0.335 0.000 1.175 163 A CA 1.575 53.490 52.037 -0.203 0.000 0.628 163 A CB -1.166 17.717 19.000 -0.195 0.000 0.814 163 A HN 0.479 8.629 8.150 -0.000 0.000 0.444 164 G N -0.682 107.950 108.800 -0.281 0.000 2.421 164 G HA2 -0.263 3.693 3.960 -0.006 0.000 0.216 164 G HA3 -0.263 3.693 3.960 -0.006 0.000 0.216 164 G C 1.742 176.531 174.900 -0.186 0.000 1.171 164 G CA 0.954 45.880 45.100 -0.289 0.000 0.775 164 G HN 0.516 8.806 8.290 -0.000 0.000 0.543 165 R N -0.334 120.098 120.500 -0.115 0.000 2.105 165 R HA 0.019 4.356 4.340 -0.006 0.000 0.239 165 R C 2.536 178.786 176.300 -0.083 0.000 1.135 165 R CA 1.407 57.466 56.100 -0.069 0.000 0.967 165 R CB -0.267 30.005 30.300 -0.047 0.000 0.861 165 R HN 0.372 8.642 8.270 -0.000 0.000 0.442 166 M N -0.951 118.577 119.600 -0.121 0.000 2.476 166 M HA 0.046 4.522 4.480 -0.006 0.000 0.262 166 M C 0.962 177.180 176.300 -0.138 0.000 1.079 166 M CA 1.075 56.308 55.300 -0.112 0.000 1.104 166 M CB 0.412 32.943 32.600 -0.115 0.000 1.409 166 M HN 0.482 8.772 8.290 -0.000 0.000 0.467 167 G N 1.352 110.012 108.800 -0.234 0.000 2.198 167 G HA2 -0.192 3.765 3.960 -0.006 0.000 0.257 167 G HA3 -0.192 3.765 3.960 -0.006 0.000 0.257 167 G C -0.303 174.421 174.900 -0.292 0.000 1.042 167 G CA -0.139 44.829 45.100 -0.220 0.000 0.791 167 G HN 0.342 8.632 8.290 -0.000 0.000 0.502 168 V N 0.172 119.775 119.914 -0.517 0.000 2.487 168 V HA 0.720 4.837 4.120 -0.006 0.000 0.298 168 V C -0.444 175.321 176.094 -0.548 0.000 1.028 168 V CA -0.814 61.292 62.300 -0.323 0.000 0.860 168 V CB 1.455 33.179 31.823 -0.165 0.000 0.991 168 V HN 0.259 8.449 8.190 -0.000 0.000 0.427 169 F N 6.314 126.263 119.950 -0.003 0.000 2.403 169 F HA 0.535 5.058 4.527 -0.007 0.000 0.355 169 F C -1.762 174.036 175.800 -0.004 0.000 1.119 169 F CA -2.370 55.627 58.000 -0.004 0.000 1.007 169 F CB 1.491 40.487 39.000 -0.006 0.000 1.194 169 F HN 0.325 8.625 8.300 -0.000 0.000 0.443 170 P HA 0.161 4.581 4.420 -0.000 0.000 0.275 170 P C 0.565 177.909 177.300 0.074 0.000 1.228 170 P CA -0.134 63.006 63.100 0.067 0.000 0.786 170 P CB 1.601 33.319 31.700 0.030 0.000 0.927 171 G N 1.034 109.865 108.800 0.052 0.000 2.623 171 G HA2 0.338 4.295 3.960 -0.006 0.000 0.214 171 G HA3 0.338 4.295 3.960 -0.006 0.000 0.214 171 G C 0.366 175.281 174.900 0.025 0.000 1.138 171 G CA 0.516 45.639 45.100 0.038 0.000 0.794 171 G HN 0.881 9.171 8.290 -0.000 0.000 0.535 172 A N -0.970 121.863 122.820 0.021 0.000 2.589 172 A HA 0.635 4.952 4.320 -0.006 0.000 0.296 172 A C -1.689 175.899 177.584 0.006 0.000 1.062 172 A CA -0.386 51.657 52.037 0.010 0.000 0.686 172 A CB 1.730 20.733 19.000 0.004 0.000 1.282 172 A HN 0.319 8.469 8.150 -0.000 0.000 0.404 173 V N 2.993 122.906 119.914 -0.002 0.000 2.409 173 V HA 0.478 4.594 4.120 -0.006 0.000 0.291 173 V C -0.777 175.307 176.094 -0.017 0.000 1.020 173 V CA -0.547 61.748 62.300 -0.009 0.000 0.848 173 V CB 1.376 33.191 31.823 -0.013 0.000 0.990 173 V HN 0.709 8.899 8.190 -0.000 0.000 0.430 174 L N 4.484 125.698 121.223 -0.015 0.000 2.313 174 L HA 0.889 5.226 4.340 -0.006 0.000 0.283 174 L C 0.154 177.008 176.870 -0.026 0.000 1.013 174 L CA -0.102 54.727 54.840 -0.019 0.000 0.816 174 L CB 1.403 43.458 42.059 -0.007 0.000 1.236 174 L HN 0.791 9.021 8.230 -0.000 0.000 0.419 175 A N 6.212 129.009 122.820 -0.038 0.000 2.515 175 A HA 0.967 5.283 4.320 -0.006 0.000 0.296 175 A C -2.750 174.808 177.584 -0.043 0.000 1.094 175 A CA -1.248 50.756 52.037 -0.054 0.000 0.718 175 A CB 2.311 21.253 19.000 -0.097 0.000 1.307 175 A HN 0.444 8.594 8.150 -0.000 0.000 0.408 176 P HA 0.489 4.909 4.420 -0.000 0.000 0.276 176 P C -0.886 176.399 177.300 -0.025 0.000 1.244 176 P CA -0.196 62.898 63.100 -0.010 0.000 0.801 176 P CB 1.363 33.079 31.700 0.028 0.000 1.006 177 V N 0.985 120.887 119.914 -0.019 0.000 2.638 177 V HA 0.610 4.727 4.120 -0.006 0.000 0.306 177 V C 0.797 176.862 176.094 -0.049 0.000 1.052 177 V CA -0.108 62.169 62.300 -0.039 0.000 0.885 177 V CB 1.479 33.276 31.823 -0.044 0.000 0.999 177 V HN 0.884 9.074 8.190 -0.000 0.000 0.424 178 G N 2.653 111.398 108.800 -0.091 0.000 2.449 178 G HA2 0.365 4.321 3.960 -0.006 0.000 0.192 178 G HA3 0.365 4.321 3.960 -0.006 0.000 0.192 178 G C 1.158 175.866 174.900 -0.321 0.000 1.776 178 G CA 0.668 45.687 45.100 -0.135 0.000 0.699 178 G HN 0.917 9.207 8.290 -0.000 0.000 0.745 179 G N -0.349 108.068 108.800 -0.639 0.000 2.511 179 G HA2 0.358 4.315 3.960 -0.006 0.000 0.217 179 G HA3 0.358 4.315 3.960 -0.006 0.000 0.217 179 G C 1.298 175.749 174.900 -0.747 0.000 1.133 179 G CA 1.280 45.489 45.100 -1.485 0.000 0.792 179 G HN 1.898 10.188 8.290 -0.000 0.000 0.539 180 G N -1.221 107.377 108.800 -0.337 0.000 2.179 180 G HA2 -0.116 3.840 3.960 -0.006 0.000 0.220 180 G HA3 -0.116 3.840 3.960 -0.006 0.000 0.220 180 G C 1.302 176.204 174.900 0.004 0.000 0.990 180 G CA 0.746 45.780 45.100 -0.110 0.000 0.646 180 G HN 0.975 9.265 8.290 -0.000 0.000 0.517 181 G N 0.663 109.515 108.800 0.086 0.000 2.433 181 G HA2 0.074 4.030 3.960 -0.006 0.000 0.216 181 G HA3 0.074 4.030 3.960 -0.006 0.000 0.216 181 G C 1.771 176.731 174.900 0.100 0.000 1.186 181 G CA 1.723 46.938 45.100 0.192 0.000 0.779 181 G HN 1.105 9.395 8.290 -0.000 0.000 0.543 182 L N 0.101 121.342 121.223 0.030 0.000 1.994 182 L HA 0.045 4.382 4.340 -0.006 0.000 0.208 182 L C 2.564 179.352 176.870 -0.137 0.000 1.071 182 L CA 1.739 56.462 54.840 -0.195 0.000 0.745 182 L CB -0.721 40.977 42.059 -0.601 0.000 0.892 182 L HN 0.181 8.411 8.230 -0.000 0.000 0.431 183 L N 0.037 121.202 121.223 -0.096 0.000 2.042 183 L HA -0.117 4.219 4.340 -0.006 0.000 0.210 183 L C 2.541 179.390 176.870 -0.036 0.000 1.076 183 L CA 2.128 56.927 54.840 -0.068 0.000 0.749 183 L CB -1.165 40.864 42.059 -0.050 0.000 0.893 183 L HN 0.349 8.579 8.230 -0.000 0.000 0.432 184 A N -0.769 122.045 122.820 -0.010 0.000 1.902 184 A HA -0.098 4.218 4.320 -0.006 0.000 0.217 184 A C 2.335 179.924 177.584 0.008 0.000 1.181 184 A CA 1.670 53.711 52.037 0.007 0.000 0.623 184 A CB -1.538 17.484 19.000 0.036 0.000 0.818 184 A HN 0.527 8.677 8.150 -0.000 0.000 0.443 185 G N -0.508 108.299 108.800 0.013 0.000 2.404 185 G HA2 -0.085 3.872 3.960 -0.006 0.000 0.215 185 G HA3 -0.085 3.872 3.960 -0.006 0.000 0.215 185 G C 1.450 176.348 174.900 -0.002 0.000 1.174 185 G CA 1.097 46.208 45.100 0.019 0.000 0.780 185 G HN 0.356 8.646 8.290 -0.000 0.000 0.537 186 L N 1.425 122.629 121.223 -0.032 0.000 2.012 186 L HA 0.061 4.397 4.340 -0.006 0.000 0.210 186 L C 3.240 180.096 176.870 -0.023 0.000 1.073 186 L CA 1.947 56.764 54.840 -0.038 0.000 0.748 186 L CB -0.866 41.153 42.059 -0.067 0.000 0.891 186 L HN 0.277 8.507 8.230 -0.000 0.000 0.431 187 A N -1.914 120.892 122.820 -0.023 0.000 1.908 187 A HA -0.244 4.073 4.320 -0.006 0.000 0.218 187 A C 2.297 179.874 177.584 -0.011 0.000 1.181 187 A CA 2.399 54.425 52.037 -0.019 0.000 0.627 187 A CB -1.143 17.843 19.000 -0.022 0.000 0.818 187 A HN 0.474 8.624 8.150 -0.000 0.000 0.445 188 T N 0.246 114.798 114.554 -0.004 0.000 2.720 188 T HA -0.063 4.283 4.350 -0.006 0.000 0.268 188 T C 2.193 176.897 174.700 0.006 0.000 1.037 188 T CA 1.723 63.825 62.100 0.004 0.000 1.144 188 T CB -0.448 68.429 68.868 0.015 0.000 0.864 188 T HN 0.621 8.861 8.240 -0.000 0.000 0.444 189 A N 0.835 123.659 122.820 0.007 0.000 1.855 189 A HA -0.021 4.296 4.320 -0.006 0.000 0.215 189 A C 2.602 180.187 177.584 0.003 0.000 1.191 189 A CA 1.361 53.402 52.037 0.007 0.000 0.613 189 A CB -0.982 18.020 19.000 0.003 0.000 0.829 189 A HN 0.342 8.492 8.150 -0.000 0.000 0.442 190 V N 0.547 120.460 119.914 -0.001 0.000 2.295 190 V HA -0.217 3.900 4.120 -0.006 0.000 0.246 190 V C 2.496 178.591 176.094 0.002 0.000 1.049 190 V CA 2.121 64.422 62.300 0.002 0.000 1.024 190 V CB -0.611 31.211 31.823 -0.002 0.000 0.648 190 V HN 0.401 8.591 8.190 -0.000 0.000 0.447 191 K N 0.567 120.965 120.400 -0.003 0.000 2.148 191 K HA -0.005 4.312 4.320 -0.006 0.000 0.204 191 K C 2.231 178.828 176.600 -0.005 0.000 1.050 191 K CA 1.463 57.746 56.287 -0.006 0.000 0.942 191 K CB -0.846 31.647 32.500 -0.011 0.000 0.724 191 K HN 0.476 8.726 8.250 -0.000 0.000 0.446 192 A N 0.811 123.629 122.820 -0.002 0.000 1.972 192 A HA -0.072 4.245 4.320 -0.006 0.000 0.219 192 A C 2.195 179.777 177.584 -0.003 0.000 1.169 192 A CA 1.161 53.196 52.037 -0.002 0.000 0.635 192 A CB -0.307 18.694 19.000 0.002 0.000 0.810 192 A HN 0.184 8.334 8.150 -0.000 0.000 0.446 193 L N -1.036 120.187 121.223 0.001 0.000 2.362 193 L HA 0.100 4.436 4.340 -0.006 0.000 0.204 193 L C 0.505 177.379 176.870 0.007 0.000 1.060 193 L CA 0.912 55.755 54.840 0.005 0.000 0.827 193 L CB 0.250 42.317 42.059 0.013 0.000 1.027 193 L HN 0.385 8.615 8.230 -0.000 0.000 0.474 194 S N -1.086 114.620 115.700 0.010 0.000 2.389 194 S HA 0.313 4.780 4.470 -0.006 0.000 0.201 194 S C -2.043 172.558 174.600 0.002 0.000 1.422 194 S CA -1.045 57.159 58.200 0.008 0.000 1.216 194 S CB 0.963 64.179 63.200 0.028 0.000 1.130 194 S HN -0.071 8.239 8.310 -0.000 0.000 0.465 195 P HA -0.128 4.292 4.420 -0.000 0.000 0.225 195 P C 1.426 178.720 177.300 -0.010 0.000 1.148 195 P CA 1.278 64.373 63.100 -0.009 0.000 0.779 195 P CB -0.357 31.335 31.700 -0.013 0.000 0.780 196 T N -4.770 109.778 114.554 -0.009 0.000 3.088 196 T HA 0.034 4.380 4.350 -0.006 0.000 0.259 196 T C 0.871 175.569 174.700 -0.003 0.000 1.122 196 T CA 0.222 62.316 62.100 -0.009 0.000 1.095 196 T CB -1.198 67.661 68.868 -0.015 0.000 0.930 196 T HN -0.046 8.194 8.240 -0.000 0.000 0.508 197 T N 3.542 118.099 114.554 0.004 0.000 2.814 197 T HA 0.427 4.773 4.350 -0.006 0.000 0.297 197 T C 0.199 174.901 174.700 0.003 0.000 0.956 197 T CA -0.470 61.638 62.100 0.012 0.000 1.123 197 T CB 0.400 69.283 68.868 0.025 0.000 0.902 197 T HN 0.298 8.538 8.240 -0.000 0.000 0.528 198 L N 3.555 124.778 121.223 0.001 0.000 2.416 198 L HA 0.333 4.669 4.340 -0.006 0.000 0.272 198 L C -0.074 176.790 176.870 -0.010 0.000 1.161 198 L CA -0.583 54.253 54.840 -0.007 0.000 0.845 198 L CB 0.532 42.586 42.059 -0.008 0.000 1.119 198 L HN 0.319 8.549 8.230 -0.000 0.000 0.464 199 V N 5.667 125.571 119.914 -0.016 0.000 2.326 199 V HA 0.400 4.517 4.120 -0.006 0.000 0.281 199 V C -0.009 176.068 176.094 -0.027 0.000 1.015 199 V CA -0.325 61.963 62.300 -0.021 0.000 0.823 199 V CB 1.456 33.265 31.823 -0.022 0.000 1.009 199 V HN 0.495 8.685 8.190 -0.000 0.000 0.436 200 L N 4.284 125.489 121.223 -0.030 0.000 2.341 200 L HA 0.814 5.150 4.340 -0.006 0.000 0.278 200 L C 0.784 177.630 176.870 -0.040 0.000 1.005 200 L CA -0.424 54.393 54.840 -0.038 0.000 0.818 200 L CB 1.911 43.944 42.059 -0.045 0.000 1.259 200 L HN 0.675 8.905 8.230 -0.000 0.000 0.418 201 G N 1.793 110.568 108.800 -0.041 0.000 2.451 201 G HA2 0.630 4.587 3.960 -0.006 0.000 0.303 201 G HA3 0.630 4.587 3.960 -0.006 0.000 0.303 201 G C -0.915 173.961 174.900 -0.039 0.000 1.166 201 G CA -0.378 44.699 45.100 -0.038 0.000 0.884 201 G HN 0.307 8.597 8.290 -0.000 0.000 0.514 202 V N 0.618 120.515 119.914 -0.028 0.000 2.709 202 V HA 0.555 4.671 4.120 -0.006 0.000 0.308 202 V C -0.389 175.702 176.094 -0.007 0.000 1.062 202 V CA -0.724 61.565 62.300 -0.018 0.000 0.901 202 V CB 1.864 33.686 31.823 -0.001 0.000 1.003 202 V HN 0.853 9.043 8.190 -0.000 0.000 0.425 203 E N 3.732 123.932 120.200 -0.000 0.000 2.340 203 E HA 0.479 4.826 4.350 -0.006 0.000 0.273 203 E C -2.857 173.754 176.600 0.018 0.000 0.891 203 E CA -2.160 54.243 56.400 0.004 0.000 0.757 203 E CB 3.274 32.972 29.700 -0.004 0.000 1.231 203 E HN 0.406 8.767 8.360 -0.000 0.000 0.439 204 P HA -0.039 4.381 4.420 -0.000 0.000 0.271 204 P C 0.219 177.530 177.300 0.019 0.000 1.216 204 P CA 0.250 63.362 63.100 0.020 0.000 0.771 204 P CB 0.487 32.196 31.700 0.015 0.000 0.864 205 E N 2.952 123.168 120.200 0.025 0.000 2.209 205 E HA -0.228 4.119 4.350 -0.006 0.000 0.196 205 E C 1.321 177.929 176.600 0.013 0.000 0.993 205 E CA 1.361 57.775 56.400 0.023 0.000 0.819 205 E CB -0.661 29.055 29.700 0.028 0.000 0.745 205 E HN 0.392 8.752 8.360 -0.000 0.000 0.477 206 A N 1.000 123.827 122.820 0.010 0.000 2.209 206 A HA 0.311 4.628 4.320 -0.006 0.000 0.212 206 A C 1.619 179.205 177.584 0.004 0.000 1.158 206 A CA 0.824 52.864 52.037 0.006 0.000 0.742 206 A CB -0.034 18.969 19.000 0.006 0.000 0.790 206 A HN 0.365 8.515 8.150 -0.000 0.000 0.472 207 A N 0.909 123.731 122.820 0.003 0.000 3.365 207 A HA 0.450 4.766 4.320 -0.006 0.000 0.258 207 A C -0.262 177.319 177.584 -0.006 0.000 0.964 207 A CA 0.064 52.100 52.037 -0.002 0.000 0.988 207 A CB -0.105 18.895 19.000 -0.001 0.000 1.193 207 A HN 0.284 8.434 8.150 -0.000 0.000 0.508 208 D N 0.155 120.553 120.400 -0.005 0.000 2.889 208 D HA -0.022 4.615 4.640 -0.006 0.000 0.243 208 D C 0.514 176.806 176.300 -0.014 0.000 1.270 208 D CA 0.138 54.134 54.000 -0.007 0.000 0.838 208 D CB -0.096 40.705 40.800 0.001 0.000 1.040 208 D HN 0.562 8.932 8.370 -0.000 0.000 0.480 209 D N 0.181 120.567 120.400 -0.023 0.000 2.219 209 D HA -0.195 4.442 4.640 -0.006 0.000 0.205 209 D C 1.613 177.888 176.300 -0.041 0.000 0.970 209 D CA 0.763 54.742 54.000 -0.036 0.000 0.851 209 D CB -0.019 40.753 40.800 -0.046 0.000 0.943 209 D HN 0.310 8.680 8.370 -0.000 0.000 0.488 210 A N 1.619 124.420 122.820 -0.031 0.000 1.873 210 A HA -0.177 4.140 4.320 -0.006 0.000 0.215 210 A C 2.277 179.869 177.584 0.014 0.000 1.186 210 A CA 1.681 53.711 52.037 -0.012 0.000 0.616 210 A CB -0.667 18.325 19.000 -0.013 0.000 0.823 210 A HN 0.207 8.357 8.150 -0.000 0.000 0.442 211 K N -0.363 120.039 120.400 0.003 0.000 2.063 211 K HA -0.185 4.131 4.320 -0.006 0.000 0.208 211 K C 2.248 178.858 176.600 0.016 0.000 1.048 211 K CA 1.635 57.927 56.287 0.008 0.000 0.928 211 K CB -0.157 32.341 32.500 -0.003 0.000 0.713 211 K HN 0.440 8.690 8.250 -0.000 0.000 0.442 212 R N -0.128 120.374 120.500 0.004 0.000 2.092 212 R HA -0.012 4.325 4.340 -0.006 0.000 0.231 212 R C 2.498 178.802 176.300 0.007 0.000 1.119 212 R CA 1.439 57.540 56.100 0.002 0.000 0.970 212 R CB -0.121 30.172 30.300 -0.011 0.000 0.864 212 R HN 0.105 8.375 8.270 -0.000 0.000 0.440 213 S N 1.076 116.770 115.700 -0.010 0.000 2.368 213 S HA -0.074 4.392 4.470 -0.006 0.000 0.225 213 S C 1.885 176.581 174.600 0.161 0.000 1.030 213 S CA 0.906 59.083 58.200 -0.038 0.000 0.999 213 S CB -0.145 62.937 63.200 -0.196 0.000 0.844 213 S HN 0.222 8.532 8.310 -0.000 0.000 0.459 214 L N 1.239 122.584 121.223 0.205 0.000 2.056 214 L HA -0.128 4.208 4.340 -0.006 0.000 0.207 214 L C 2.482 179.428 176.870 0.126 0.000 1.078 214 L CA 1.358 56.331 54.840 0.221 0.000 0.749 214 L CB -0.426 41.706 42.059 0.121 0.000 0.901 214 L HN 0.406 8.636 8.230 -0.000 0.000 0.433 215 E N -0.348 119.899 120.200 0.079 0.000 2.107 215 E HA -0.149 4.197 4.350 -0.006 0.000 0.191 215 E C 1.999 178.633 176.600 0.056 0.000 0.982 215 E CA 1.030 57.460 56.400 0.050 0.000 0.809 215 E CB -0.050 29.668 29.700 0.029 0.000 0.756 215 E HN 0.472 8.832 8.360 -0.000 0.000 0.459 216 A N 0.327 123.186 122.820 0.066 0.000 2.178 216 A HA 0.258 4.574 4.320 -0.006 0.000 0.211 216 A C 1.813 179.456 177.584 0.098 0.000 1.157 216 A CA 0.779 52.852 52.037 0.059 0.000 0.780 216 A CB -0.184 18.835 19.000 0.031 0.000 0.828 216 A HN 0.320 8.470 8.150 -0.000 0.000 0.476 217 G N -1.140 107.767 108.800 0.178 0.000 2.155 217 G HA2 -0.264 3.693 3.960 -0.006 0.000 0.257 217 G HA3 -0.264 3.693 3.960 -0.006 0.000 0.257 217 G C 0.219 175.353 174.900 0.389 0.000 0.983 217 G CA 0.661 45.920 45.100 0.265 0.000 0.676 217 G HN 0.678 8.968 8.290 -0.000 0.000 0.528 218 R N -1.220 119.417 120.500 0.229 0.000 2.740 218 R HA 0.593 4.929 4.340 -0.006 0.000 0.273 218 R C -0.003 176.042 176.300 -0.425 0.000 0.998 218 R CA -1.060 55.028 56.100 -0.020 0.000 0.900 218 R CB 1.372 31.666 30.300 -0.010 0.000 1.223 218 R HN 0.146 8.416 8.270 -0.000 0.000 0.466 219 I N 4.219 124.398 120.570 -0.652 0.000 2.421 219 I HA 0.105 4.272 4.170 -0.006 0.000 0.291 219 I C -0.261 175.682 176.117 -0.290 0.000 1.089 219 I CA 0.180 61.095 61.300 -0.642 0.000 1.354 219 I CB 0.222 37.894 38.000 -0.546 0.000 1.413 219 I HN 0.253 8.463 8.210 -0.000 0.000 0.513 220 L N 7.130 128.219 121.223 -0.224 0.000 2.322 220 L HA 0.579 4.915 4.340 -0.006 0.000 0.279 220 L C 0.136 176.946 176.870 -0.100 0.000 1.036 220 L CA -0.679 54.087 54.840 -0.123 0.000 0.807 220 L CB 1.473 43.480 42.059 -0.087 0.000 1.226 220 L HN 0.568 8.798 8.230 -0.000 0.000 0.433 221 R N 1.954 122.414 120.500 -0.066 0.000 2.664 221 R HA 0.609 4.945 4.340 -0.006 0.000 0.286 221 R C -1.070 175.212 176.300 -0.029 0.000 0.967 221 R CA -0.758 55.315 56.100 -0.045 0.000 0.933 221 R CB 1.410 31.691 30.300 -0.032 0.000 1.146 221 R HN 0.558 8.828 8.270 -0.000 0.000 0.468 222 L N 3.676 124.887 121.223 -0.021 0.000 2.380 222 L HA 0.115 4.451 4.340 -0.006 0.000 0.273 222 L C 1.079 177.945 176.870 -0.006 0.000 1.138 222 L CA -0.093 54.739 54.840 -0.013 0.000 0.832 222 L CB 1.243 43.297 42.059 -0.009 0.000 1.124 222 L HN 0.774 9.004 8.230 -0.000 0.000 0.454 223 E N 1.996 122.193 120.200 -0.005 0.000 2.051 223 E HA -0.058 4.289 4.350 -0.006 0.000 0.192 223 E C 0.236 176.837 176.600 0.002 0.000 0.991 223 E CA 1.443 57.842 56.400 -0.002 0.000 0.799 223 E CB 0.102 29.801 29.700 -0.002 0.000 0.748 223 E HN 0.718 9.078 8.360 -0.000 0.000 0.449 224 A N -0.277 122.545 122.820 0.003 0.000 2.569 224 A HA 0.568 4.884 4.320 -0.006 0.000 0.290 224 A C -2.663 174.925 177.584 0.007 0.000 1.136 224 A CA -1.654 50.386 52.037 0.006 0.000 0.710 224 A CB 0.592 19.595 19.000 0.005 0.000 1.303 224 A HN -0.163 7.987 8.150 -0.000 0.000 0.413 225 P HA 0.112 4.532 4.420 -0.000 0.000 0.258 225 P C -1.819 175.486 177.300 0.009 0.000 1.172 225 P CA -0.158 62.949 63.100 0.012 0.000 0.762 225 P CB 0.001 31.709 31.700 0.014 0.000 0.764 226 P HA -0.131 4.289 4.420 -0.000 0.000 0.220 226 P C -0.328 176.975 177.300 0.006 0.000 0.963 226 P CA 0.821 63.925 63.100 0.006 0.000 1.015 226 P CB 0.166 31.870 31.700 0.006 0.000 0.609 227 R N -2.877 117.627 120.500 0.007 0.000 2.432 227 R HA 0.129 4.466 4.340 -0.006 0.000 0.246 227 R C -1.500 174.803 176.300 0.006 0.000 0.701 227 R CA 0.100 56.204 56.100 0.006 0.000 0.802 227 R CB -1.403 28.900 30.300 0.004 0.000 1.528 227 R HN 0.405 8.675 8.270 -0.000 0.000 0.334 228 T N 0.677 115.235 114.554 0.008 0.000 2.894 228 T HA 0.377 4.724 4.350 -0.006 0.000 0.309 228 T C 0.824 175.530 174.700 0.010 0.000 1.208 228 T CA -0.606 61.499 62.100 0.008 0.000 1.016 228 T CB 1.333 70.207 68.868 0.011 0.000 1.192 228 T HN 0.563 8.803 8.240 -0.000 0.000 0.491 229 R N 1.921 122.425 120.500 0.008 0.000 2.307 229 R HA 0.404 4.740 4.340 -0.006 0.000 0.199 229 R C 0.988 177.298 176.300 0.017 0.000 1.000 229 R CA 0.570 56.676 56.100 0.009 0.000 1.023 229 R CB -0.151 30.150 30.300 0.002 0.000 0.908 229 R HN 0.389 8.659 8.270 -0.000 0.000 0.473 230 A N 3.518 126.350 122.820 0.020 0.000 3.037 230 A HA 0.029 4.346 4.320 -0.006 0.000 0.272 230 A C 0.706 178.309 177.584 0.031 0.000 1.723 230 A CA -0.391 51.663 52.037 0.028 0.000 1.413 230 A CB -0.338 18.679 19.000 0.028 0.000 1.112 230 A HN 0.521 8.671 8.150 -0.000 0.000 0.606 231 D N 1.239 121.659 120.400 0.032 0.000 2.311 231 D HA -0.161 4.475 4.640 -0.006 0.000 0.212 231 D C 1.255 177.579 176.300 0.041 0.000 0.972 231 D CA 1.342 55.362 54.000 0.033 0.000 0.887 231 D CB -0.071 40.748 40.800 0.032 0.000 0.915 231 D HN 0.454 8.824 8.370 -0.000 0.000 0.497 232 G N 0.881 109.711 108.800 0.050 0.000 2.623 232 G HA2 0.034 3.991 3.960 -0.006 0.000 0.214 232 G HA3 0.034 3.991 3.960 -0.006 0.000 0.214 232 G C 1.328 176.264 174.900 0.060 0.000 1.138 232 G CA 0.686 45.823 45.100 0.062 0.000 0.794 232 G HN 0.400 8.690 8.290 -0.000 0.000 0.535 233 V N -2.828 117.112 119.914 0.042 0.000 2.804 233 V HA 0.492 4.608 4.120 -0.006 0.000 0.360 233 V C 0.891 176.991 176.094 0.010 0.000 1.282 233 V CA -0.723 61.589 62.300 0.021 0.000 1.274 233 V CB 0.016 31.848 31.823 0.015 0.000 1.415 233 V HN 0.147 8.337 8.190 -0.000 0.000 0.610 234 R N 0.656 121.168 120.500 0.021 0.000 2.363 234 R HA 0.214 4.551 4.340 -0.006 0.000 0.236 234 R C 0.386 176.697 176.300 0.018 0.000 0.966 234 R CA 0.023 56.133 56.100 0.018 0.000 1.100 234 R CB -0.040 30.275 30.300 0.024 0.000 1.125 234 R HN 0.622 8.892 8.270 -0.000 0.000 0.514 235 T N 1.019 115.579 114.554 0.010 0.000 2.934 235 T HA -0.026 4.321 4.350 -0.006 0.000 0.306 235 T C 1.615 176.318 174.700 0.004 0.000 1.042 235 T CA 0.109 62.216 62.100 0.012 0.000 1.145 235 T CB 0.935 69.767 68.868 -0.060 0.000 0.982 235 T HN 0.175 8.415 8.240 -0.000 0.000 0.544 236 L N 1.523 122.762 121.223 0.028 0.000 2.217 236 L HA 0.062 4.398 4.340 -0.006 0.000 0.211 236 L C 1.402 178.269 176.870 -0.006 0.000 1.107 236 L CA 0.572 55.421 54.840 0.015 0.000 0.783 236 L CB -0.304 41.772 42.059 0.028 0.000 0.919 236 L HN 0.876 9.106 8.230 -0.000 0.000 0.442 237 S N -2.001 113.695 115.700 -0.007 0.000 2.615 237 S HA 0.410 4.877 4.470 -0.006 0.000 0.268 237 S C -0.806 173.753 174.600 -0.067 0.000 1.146 237 S CA -0.989 57.186 58.200 -0.042 0.000 0.818 237 S CB 1.015 64.194 63.200 -0.036 0.000 1.111 237 S HN -0.027 8.283 8.310 -0.000 0.000 0.465 238 L N 1.587 122.751 121.223 -0.098 0.000 2.464 238 L HA 0.508 4.844 4.340 -0.006 0.000 0.264 238 L C 1.461 178.339 176.870 0.014 0.000 1.199 238 L CA -0.062 54.717 54.840 -0.103 0.000 0.818 238 L CB 0.163 42.195 42.059 -0.044 0.000 1.102 238 L HN 1.031 9.261 8.230 -0.000 0.000 0.473 239 G N 0.494 109.355 108.800 0.101 0.000 2.569 239 G HA2 0.123 4.079 3.960 -0.006 0.000 0.249 239 G HA3 0.123 4.079 3.960 -0.006 0.000 0.249 239 G C 0.481 175.500 174.900 0.198 0.000 1.216 239 G CA -0.382 44.924 45.100 0.343 0.000 0.845 239 G HN 0.846 9.136 8.290 -0.000 0.000 0.568 240 E N 0.338 120.624 120.200 0.142 0.000 2.150 240 E HA -0.095 4.251 4.350 -0.006 0.000 0.193 240 E C 2.494 179.171 176.600 0.128 0.000 0.985 240 E CA 0.693 57.163 56.400 0.116 0.000 0.814 240 E CB 0.158 29.893 29.700 0.058 0.000 0.752 240 E HN 0.467 8.827 8.360 -0.000 0.000 0.466 241 R N 0.073 120.634 120.500 0.103 0.000 2.173 241 R HA -0.019 4.318 4.340 -0.006 0.000 0.208 241 R C 2.551 178.913 176.300 0.105 0.000 1.035 241 R CA 1.501 57.650 56.100 0.083 0.000 1.004 241 R CB -0.022 30.307 30.300 0.047 0.000 0.917 241 R HN 0.214 8.484 8.270 -0.000 0.000 0.462 242 T N -1.434 113.210 114.554 0.150 0.000 2.978 242 T HA -0.070 4.276 4.350 -0.006 0.000 0.262 242 T C 1.655 176.436 174.700 0.135 0.000 1.063 242 T CA 0.357 62.536 62.100 0.132 0.000 1.140 242 T CB -0.303 68.650 68.868 0.141 0.000 0.886 242 T HN 0.082 8.322 8.240 -0.000 0.000 0.470 243 F N 4.896 124.857 119.950 0.019 0.000 2.065 243 F HA 0.024 4.548 4.527 -0.006 0.000 0.298 243 F C -0.793 175.009 175.800 0.004 0.000 1.112 243 F CA 0.900 58.902 58.000 0.005 0.000 1.212 243 F CB -1.264 37.740 39.000 0.007 0.000 0.975 243 F HN 0.145 8.445 8.300 -0.000 0.000 0.476 244 P HA -0.178 4.242 4.420 -0.000 0.000 0.218 244 P C 2.137 179.309 177.300 -0.214 0.000 1.149 244 P CA 1.894 64.817 63.100 -0.295 0.000 0.817 244 P CB -0.256 31.383 31.700 -0.102 0.000 0.785 245 I N -0.612 119.892 120.570 -0.111 0.000 2.252 245 I HA -0.186 3.981 4.170 -0.006 0.000 0.245 245 I C 2.639 178.699 176.117 -0.095 0.000 1.102 245 I CA 1.081 62.337 61.300 -0.073 0.000 1.385 245 I CB -0.661 37.327 38.000 -0.020 0.000 1.064 245 I HN -0.162 8.048 8.210 -0.000 0.000 0.414 246 L N -0.016 121.145 121.223 -0.103 0.000 2.046 246 L HA -0.175 4.162 4.340 -0.006 0.000 0.208 246 L C 2.777 179.557 176.870 -0.149 0.000 1.077 246 L CA 1.052 55.840 54.840 -0.087 0.000 0.747 246 L CB -0.784 41.264 42.059 -0.017 0.000 0.896 246 L HN 0.225 8.455 8.230 -0.000 0.000 0.432 247 R N 0.465 120.783 120.500 -0.304 0.000 2.091 247 R HA -0.201 4.135 4.340 -0.006 0.000 0.238 247 R C 2.108 178.303 176.300 -0.175 0.000 1.136 247 R CA 1.679 57.592 56.100 -0.312 0.000 0.959 247 R CB -0.279 29.702 30.300 -0.531 0.000 0.856 247 R HN 0.509 8.779 8.270 -0.000 0.000 0.437 248 E N -0.097 120.012 120.200 -0.152 0.000 2.170 248 E HA -0.081 4.265 4.350 -0.006 0.000 0.191 248 E C 1.211 177.770 176.600 -0.067 0.000 0.981 248 E CA 0.561 56.903 56.400 -0.096 0.000 0.830 248 E CB 0.301 29.951 29.700 -0.083 0.000 0.775 248 E HN 0.219 8.579 8.360 -0.000 0.000 0.470 249 R N -0.374 120.088 120.500 -0.064 0.000 2.419 249 R HA 0.243 4.579 4.340 -0.006 0.000 0.235 249 R C -0.250 176.027 176.300 -0.038 0.000 0.899 249 R CA -0.189 55.885 56.100 -0.044 0.000 1.048 249 R CB 1.621 31.900 30.300 -0.035 0.000 1.182 249 R HN -0.083 8.187 8.270 -0.000 0.000 0.544 250 V N 2.249 122.137 119.914 -0.044 0.000 2.465 250 V HA 0.052 4.168 4.120 -0.006 0.000 0.279 250 V C 0.583 176.657 176.094 -0.032 0.000 1.045 250 V CA -0.148 62.132 62.300 -0.035 0.000 0.938 250 V CB 1.742 33.547 31.823 -0.031 0.000 0.986 250 V HN 0.145 8.335 8.190 -0.000 0.000 0.467 251 D N 3.131 123.514 120.400 -0.028 0.000 2.234 251 D HA 0.165 4.802 4.640 -0.006 0.000 0.205 251 D C 0.784 177.068 176.300 -0.026 0.000 0.962 251 D CA 1.353 55.338 54.000 -0.026 0.000 0.855 251 D CB 0.846 41.632 40.800 -0.023 0.000 0.951 251 D HN 0.755 9.125 8.370 -0.000 0.000 0.500 252 G N -0.209 108.573 108.800 -0.029 0.000 2.349 252 G HA2 0.466 4.423 3.960 -0.006 0.000 0.294 252 G HA3 0.466 4.423 3.960 -0.006 0.000 0.294 252 G C -1.888 172.988 174.900 -0.040 0.000 1.380 252 G CA -0.816 44.265 45.100 -0.032 0.000 0.811 252 G HN 0.011 8.301 8.290 -0.000 0.000 0.519 253 I N 0.536 121.079 120.570 -0.045 0.000 2.499 253 I HA 0.427 4.594 4.170 -0.006 0.000 0.288 253 I C -0.464 175.600 176.117 -0.088 0.000 1.048 253 I CA -0.642 60.627 61.300 -0.052 0.000 1.062 253 I CB 2.066 40.050 38.000 -0.025 0.000 1.238 253 I HN 0.227 8.437 8.210 -0.000 0.000 0.426 254 L N 5.052 126.199 121.223 -0.127 0.000 2.334 254 L HA 0.636 4.973 4.340 -0.006 0.000 0.275 254 L C 0.234 177.049 176.870 -0.092 0.000 1.036 254 L CA -0.567 54.136 54.840 -0.228 0.000 0.807 254 L CB 1.992 43.785 42.059 -0.444 0.000 1.231 254 L HN 0.600 8.830 8.230 -0.000 0.000 0.438 255 T N -0.520 114.022 114.554 -0.021 0.000 2.918 255 T HA 0.763 5.109 4.350 -0.006 0.000 0.286 255 T C -0.407 174.400 174.700 0.177 0.000 1.026 255 T CA -0.768 61.371 62.100 0.065 0.000 1.031 255 T CB 1.988 70.886 68.868 0.051 0.000 1.046 255 T HN 0.470 8.710 8.240 -0.000 0.000 0.479 256 V N -0.910 119.072 119.914 0.114 0.000 3.007 256 V HA 0.879 4.996 4.120 -0.006 0.000 0.311 256 V C 0.098 176.219 176.094 0.045 0.000 1.120 256 V CA -1.014 61.346 62.300 0.099 0.000 0.980 256 V CB 1.477 33.352 31.823 0.087 0.000 1.033 256 V HN 1.279 9.469 8.190 -0.000 0.000 0.429 257 S N 1.253 116.965 115.700 0.020 0.000 2.614 257 S HA 0.363 4.830 4.470 -0.006 0.000 0.265 257 S C 0.698 175.301 174.600 0.005 0.000 1.303 257 S CA -0.214 57.991 58.200 0.007 0.000 1.000 257 S CB 1.144 64.340 63.200 -0.007 0.000 0.935 257 S HN 0.832 9.142 8.310 -0.000 0.000 0.551 258 E N 0.945 121.146 120.200 0.002 0.000 2.106 258 E HA -0.153 4.193 4.350 -0.006 0.000 0.192 258 E C 1.814 178.411 176.600 -0.006 0.000 0.984 258 E CA 1.189 57.589 56.400 -0.001 0.000 0.806 258 E CB -0.363 29.336 29.700 -0.003 0.000 0.750 258 E HN 0.905 9.265 8.360 -0.000 0.000 0.458 259 E N 0.530 120.725 120.200 -0.010 0.000 2.058 259 E HA -0.172 4.175 4.350 -0.006 0.000 0.194 259 E C 1.966 178.558 176.600 -0.015 0.000 0.997 259 E CA 1.148 57.539 56.400 -0.015 0.000 0.801 259 E CB -0.020 29.670 29.700 -0.017 0.000 0.746 259 E HN 0.187 8.547 8.360 -0.000 0.000 0.450 260 A N 1.141 123.953 122.820 -0.014 0.000 1.972 260 A HA -0.137 4.180 4.320 -0.006 0.000 0.219 260 A C 2.174 179.757 177.584 -0.003 0.000 1.169 260 A CA 0.777 52.806 52.037 -0.013 0.000 0.635 260 A CB -0.525 18.464 19.000 -0.019 0.000 0.810 260 A HN 0.389 8.539 8.150 -0.000 0.000 0.446 261 L N -1.088 120.136 121.223 0.002 0.000 2.027 261 L HA -0.132 4.205 4.340 -0.006 0.000 0.206 261 L C 2.493 179.363 176.870 -0.001 0.000 1.074 261 L CA 1.676 56.520 54.840 0.007 0.000 0.745 261 L CB -0.351 41.713 42.059 0.009 0.000 0.898 261 L HN 0.458 8.688 8.230 -0.000 0.000 0.433 262 L N 0.361 121.578 121.223 -0.010 0.000 2.042 262 L HA -0.250 4.086 4.340 -0.006 0.000 0.210 262 L C 2.378 179.235 176.870 -0.021 0.000 1.076 262 L CA 1.815 56.642 54.840 -0.021 0.000 0.749 262 L CB -0.485 41.557 42.059 -0.029 0.000 0.893 262 L HN 0.247 8.477 8.230 -0.000 0.000 0.432 263 E N -0.804 119.387 120.200 -0.016 0.000 2.110 263 E HA -0.226 4.120 4.350 -0.006 0.000 0.193 263 E C 2.153 178.752 176.600 -0.000 0.000 0.988 263 E CA 1.059 57.452 56.400 -0.011 0.000 0.804 263 E CB -0.269 29.425 29.700 -0.011 0.000 0.745 263 E HN 0.657 9.017 8.360 -0.000 0.000 0.458 264 A N 1.453 124.276 122.820 0.004 0.000 1.873 264 A HA -0.239 4.078 4.320 -0.006 0.000 0.215 264 A C 1.927 179.523 177.584 0.020 0.000 1.186 264 A CA 1.460 53.504 52.037 0.013 0.000 0.616 264 A CB -0.402 18.606 19.000 0.014 0.000 0.823 264 A HN 0.159 8.309 8.150 -0.000 0.000 0.442 265 E N -0.745 119.465 120.200 0.017 0.000 2.058 265 E HA -0.239 4.108 4.350 -0.006 0.000 0.194 265 E C 2.318 178.950 176.600 0.054 0.000 0.997 265 E CA 1.313 57.731 56.400 0.031 0.000 0.801 265 E CB -0.231 29.473 29.700 0.006 0.000 0.746 265 E HN 0.578 8.938 8.360 -0.000 0.000 0.450 266 R N 0.871 121.377 120.500 0.011 0.000 2.091 266 R HA -0.170 4.167 4.340 -0.006 0.000 0.238 266 R C 2.355 178.704 176.300 0.081 0.000 1.136 266 R CA 1.123 57.230 56.100 0.013 0.000 0.959 266 R CB -0.204 30.081 30.300 -0.025 0.000 0.856 266 R HN 0.177 8.447 8.270 -0.000 0.000 0.437 267 L N 0.416 121.672 121.223 0.056 0.000 2.017 267 L HA -0.202 4.135 4.340 -0.006 0.000 0.208 267 L C 2.462 179.374 176.870 0.070 0.000 1.073 267 L CA 1.171 56.044 54.840 0.055 0.000 0.745 267 L CB -0.376 41.702 42.059 0.031 0.000 0.894 267 L HN 0.278 8.508 8.230 -0.000 0.000 0.432 268 L N -1.419 119.845 121.223 0.068 0.000 2.017 268 L HA -0.255 4.082 4.340 -0.006 0.000 0.208 268 L C 2.536 179.457 176.870 0.084 0.000 1.073 268 L CA 1.384 56.252 54.840 0.047 0.000 0.745 268 L CB -0.580 41.487 42.059 0.013 0.000 0.894 268 L HN 0.131 8.361 8.230 -0.000 0.000 0.432 269 F N 1.148 121.087 119.950 -0.019 0.000 2.043 269 F HA -0.336 4.188 4.527 -0.006 0.000 0.297 269 F C 2.835 178.636 175.800 0.002 0.000 1.121 269 F CA 2.433 60.430 58.000 -0.006 0.000 1.199 269 F CB -0.278 38.721 39.000 -0.003 0.000 0.968 269 F HN 0.180 8.480 8.300 -0.000 0.000 0.478 270 T N -2.223 112.522 114.554 0.317 0.000 2.942 270 T HA -0.017 4.329 4.350 -0.006 0.000 0.265 270 T C 1.919 176.663 174.700 0.074 0.000 1.062 270 T CA 0.923 63.140 62.100 0.194 0.000 1.139 270 T CB -0.177 68.800 68.868 0.181 0.000 0.883 270 T HN 0.112 8.352 8.240 -0.000 0.000 0.468 271 R N 1.265 121.799 120.500 0.057 0.000 2.105 271 R HA 0.194 4.530 4.340 -0.006 0.000 0.214 271 R C 2.679 178.984 176.300 0.008 0.000 1.091 271 R CA 1.547 57.664 56.100 0.028 0.000 1.007 271 R CB -0.516 29.800 30.300 0.028 0.000 0.912 271 R HN 0.646 8.916 8.270 -0.000 0.000 0.450 272 T N -1.903 112.651 114.554 -0.000 0.000 3.040 272 T HA 0.156 4.502 4.350 -0.006 0.000 0.250 272 T C 0.154 174.832 174.700 -0.036 0.000 1.058 272 T CA -0.345 61.748 62.100 -0.011 0.000 0.988 272 T CB 0.229 69.093 68.868 -0.007 0.000 0.993 272 T HN -0.054 8.186 8.240 -0.000 0.000 0.519 273 K N 0.928 121.282 120.400 -0.077 0.000 3.069 273 K HA -0.120 4.197 4.320 -0.006 0.000 0.267 273 K C -0.639 175.875 176.600 -0.143 0.000 1.082 273 K CA 0.678 56.872 56.287 -0.154 0.000 0.782 273 K CB -1.869 30.568 32.500 -0.104 0.000 1.230 273 K HN 0.533 8.783 8.250 -0.000 0.000 0.488 274 Q N -0.166 119.567 119.800 -0.112 0.000 2.274 274 Q HA 0.451 4.787 4.340 -0.006 0.000 0.260 274 Q C 0.019 175.966 176.000 -0.089 0.000 0.974 274 Q CA -0.762 55.009 55.803 -0.054 0.000 0.876 274 Q CB 2.088 30.786 28.738 -0.067 0.000 1.297 274 Q HN -0.003 8.267 8.270 -0.000 0.000 0.446 275 V N 2.776 122.689 119.914 -0.002 0.000 2.368 275 V HA 0.299 4.416 4.120 -0.006 0.000 0.266 275 V C -0.181 175.942 176.094 0.050 0.000 1.045 275 V CA -0.429 61.909 62.300 0.063 0.000 0.899 275 V CB 1.219 33.111 31.823 0.114 0.000 1.006 275 V HN 0.441 8.631 8.190 -0.000 0.000 0.470 276 V N 5.739 125.665 119.914 0.019 0.000 2.487 276 V HA 0.376 4.492 4.120 -0.006 0.000 0.298 276 V C 0.273 176.402 176.094 0.059 0.000 1.028 276 V CA -0.872 61.415 62.300 -0.021 0.000 0.860 276 V CB 1.996 33.749 31.823 -0.117 0.000 0.991 276 V HN 0.998 9.188 8.190 -0.000 0.000 0.427 277 E N 5.711 125.956 120.200 0.075 0.000 2.392 277 E HA 0.191 4.538 4.350 -0.006 0.000 0.256 277 E C -2.040 174.595 176.600 0.057 0.000 1.145 277 E CA -1.324 55.121 56.400 0.074 0.000 0.929 277 E CB 0.543 30.290 29.700 0.078 0.000 0.998 277 E HN 0.316 8.676 8.360 -0.000 0.000 0.442 278 P HA -0.276 4.144 4.420 -0.000 0.000 0.214 278 P C 1.557 178.881 177.300 0.041 0.000 1.169 278 P CA 2.517 65.638 63.100 0.036 0.000 0.908 278 P CB -0.212 31.504 31.700 0.027 0.000 0.791 279 T N -2.319 112.266 114.554 0.051 0.000 3.051 279 T HA -0.018 4.329 4.350 -0.006 0.000 0.269 279 T C 1.776 176.518 174.700 0.071 0.000 1.127 279 T CA 1.391 63.526 62.100 0.058 0.000 1.107 279 T CB -1.272 67.636 68.868 0.066 0.000 0.898 279 T HN 0.136 8.376 8.240 -0.000 0.000 0.517 280 G N -0.303 108.542 108.800 0.075 0.000 2.712 280 G HA2 0.365 4.321 3.960 -0.006 0.000 0.212 280 G HA3 0.365 4.321 3.960 -0.006 0.000 0.212 280 G C 1.449 176.375 174.900 0.044 0.000 1.142 280 G CA 0.401 45.548 45.100 0.080 0.000 0.789 280 G HN 0.635 8.925 8.290 -0.000 0.000 0.535 281 A N 0.072 122.913 122.820 0.035 0.000 2.308 281 A HA 0.451 4.767 4.320 -0.006 0.000 0.217 281 A C 2.080 179.679 177.584 0.025 0.000 1.216 281 A CA -0.160 51.890 52.037 0.022 0.000 0.864 281 A CB -0.077 18.936 19.000 0.020 0.000 0.902 281 A HN 0.285 8.435 8.150 -0.000 0.000 0.499 282 L N -0.139 121.103 121.223 0.031 0.000 2.043 282 L HA -0.159 4.177 4.340 -0.006 0.000 0.212 282 L C -0.536 176.352 176.870 0.030 0.000 1.075 282 L CA 1.662 56.520 54.840 0.031 0.000 0.752 282 L CB -1.386 40.691 42.059 0.029 0.000 0.891 282 L HN 0.214 8.444 8.230 -0.000 0.000 0.432 283 P HA -0.216 4.204 4.420 -0.000 0.000 0.216 283 P C 1.939 179.256 177.300 0.028 0.000 1.150 283 P CA 1.403 64.516 63.100 0.021 0.000 0.837 283 P CB 0.075 31.783 31.700 0.012 0.000 0.786 284 L N -1.120 120.118 121.223 0.025 0.000 2.093 284 L HA -0.119 4.218 4.340 -0.006 0.000 0.208 284 L C 2.155 179.043 176.870 0.031 0.000 1.085 284 L CA 1.542 56.397 54.840 0.024 0.000 0.755 284 L CB -0.769 41.300 42.059 0.017 0.000 0.904 284 L HN -0.052 8.178 8.230 -0.000 0.000 0.435 285 A N 0.031 122.871 122.820 0.033 0.000 1.908 285 A HA -0.238 4.079 4.320 -0.006 0.000 0.218 285 A C 2.441 180.061 177.584 0.061 0.000 1.181 285 A CA 1.800 53.858 52.037 0.035 0.000 0.627 285 A CB -0.856 18.165 19.000 0.034 0.000 0.818 285 A HN 0.558 8.708 8.150 -0.000 0.000 0.445 286 A N -0.632 122.245 122.820 0.096 0.000 1.940 286 A HA -0.023 4.294 4.320 -0.006 0.000 0.219 286 A C 2.200 179.895 177.584 0.185 0.000 1.176 286 A CA 1.883 54.038 52.037 0.196 0.000 0.631 286 A CB -0.860 18.211 19.000 0.118 0.000 0.814 286 A HN 0.445 8.595 8.150 -0.000 0.000 0.446 287 V N -0.612 119.356 119.914 0.090 0.000 2.427 287 V HA -0.184 3.933 4.120 -0.006 0.000 0.248 287 V C 2.436 178.553 176.094 0.038 0.000 1.051 287 V CA 1.582 63.921 62.300 0.065 0.000 1.048 287 V CB -0.724 31.122 31.823 0.039 0.000 0.666 287 V HN 0.461 8.651 8.190 -0.000 0.000 0.456 288 L N 0.055 121.291 121.223 0.021 0.000 2.046 288 L HA -0.144 4.193 4.340 -0.006 0.000 0.208 288 L C 2.430 179.269 176.870 -0.053 0.000 1.077 288 L CA 1.918 56.753 54.840 -0.009 0.000 0.747 288 L CB -0.699 41.355 42.059 -0.009 0.000 0.896 288 L HN 0.401 8.631 8.230 -0.000 0.000 0.432 289 E N -2.148 117.990 120.200 -0.102 0.000 2.340 289 E HA -0.028 4.318 4.350 -0.006 0.000 0.194 289 E C 0.749 177.070 176.600 -0.465 0.000 0.996 289 E CA 0.520 56.739 56.400 -0.302 0.000 0.869 289 E CB 0.178 29.616 29.700 -0.437 0.000 0.835 289 E HN 0.635 8.995 8.360 -0.000 0.000 0.493 290 H N -1.156 117.915 119.070 0.001 0.000 2.662 290 H HA 0.225 4.778 4.556 -0.005 0.000 0.268 290 H C 1.616 176.945 175.328 0.002 0.000 1.152 290 H CA 0.129 56.178 56.048 0.002 0.000 1.072 290 H CB 0.718 30.481 29.762 0.002 0.000 1.660 290 H HN 0.134 8.414 8.280 -0.000 0.000 0.584 291 G N 1.177 110.022 108.800 0.073 0.000 2.505 291 G HA2 -0.381 3.576 3.960 -0.006 0.000 0.220 291 G HA3 -0.381 3.576 3.960 -0.006 0.000 0.220 291 G C 1.871 176.797 174.900 0.044 0.000 1.145 291 G CA 1.123 46.254 45.100 0.051 0.000 0.761 291 G HN 0.504 8.794 8.290 -0.000 0.000 0.571 292 A N 0.138 122.979 122.820 0.035 0.000 2.070 292 A HA 0.035 4.351 4.320 -0.006 0.000 0.220 292 A C 2.329 179.934 177.584 0.035 0.000 1.159 292 A CA 1.288 53.342 52.037 0.028 0.000 0.656 292 A CB -0.195 18.816 19.000 0.019 0.000 0.800 292 A HN 0.407 8.557 8.150 -0.000 0.000 0.453 293 R N -1.262 119.271 120.500 0.054 0.000 2.393 293 R HA 0.381 4.717 4.340 -0.006 0.000 0.244 293 R C -0.626 175.697 176.300 0.038 0.000 0.920 293 R CA -0.132 55.997 56.100 0.048 0.000 1.076 293 R CB 0.068 30.408 30.300 0.066 0.000 1.119 293 R HN 0.372 8.642 8.270 -0.000 0.000 0.524 294 L N 1.466 122.713 121.223 0.040 0.000 2.322 294 L HA 0.479 4.815 4.340 -0.006 0.000 0.269 294 L C -1.991 174.893 176.870 0.023 0.000 1.012 294 L CA -2.451 52.406 54.840 0.028 0.000 0.815 294 L CB 1.352 43.432 42.059 0.035 0.000 1.295 294 L HN -0.153 8.077 8.230 -0.000 0.000 0.438 295 P HA -0.009 4.411 4.420 -0.000 0.000 0.272 295 P C -0.283 177.029 177.300 0.021 0.000 1.254 295 P CA -0.270 62.841 63.100 0.019 0.000 0.795 295 P CB 0.813 32.524 31.700 0.018 0.000 1.022 296 Q N -0.107 119.706 119.800 0.022 0.000 2.079 296 Q HA -0.042 4.295 4.340 -0.006 0.000 0.200 296 Q C 0.143 176.157 176.000 0.023 0.000 0.974 296 Q CA 1.699 57.515 55.803 0.022 0.000 0.840 296 Q CB -0.625 28.126 28.738 0.022 0.000 0.898 296 Q HN 0.449 8.719 8.270 -0.000 0.000 0.430 297 T N 1.456 116.026 114.554 0.027 0.000 2.756 297 T HA 0.558 4.905 4.350 -0.006 0.000 0.290 297 T C -0.818 173.896 174.700 0.024 0.000 0.985 297 T CA -0.466 61.650 62.100 0.026 0.000 0.955 297 T CB 0.549 69.439 68.868 0.037 0.000 0.930 297 T HN 0.118 8.358 8.240 -0.000 0.000 0.451 298 L N 2.254 123.487 121.223 0.017 0.000 2.362 298 L HA 0.839 5.176 4.340 -0.006 0.000 0.271 298 L C -0.010 176.865 176.870 0.008 0.000 1.002 298 L CA -1.372 53.476 54.840 0.014 0.000 0.818 298 L CB 1.810 43.878 42.059 0.015 0.000 1.298 298 L HN 0.609 8.839 8.230 -0.000 0.000 0.420 299 A N 4.212 127.035 122.820 0.005 0.000 2.288 299 A HA 0.806 5.122 4.320 -0.006 0.000 0.320 299 A C -0.693 176.892 177.584 0.001 0.000 1.217 299 A CA -0.436 51.601 52.037 0.000 0.000 0.840 299 A CB 0.615 19.612 19.000 -0.005 0.000 1.179 299 A HN 0.659 8.809 8.150 -0.000 0.000 0.504 300 L N 2.688 123.914 121.223 0.005 0.000 2.307 300 L HA 0.416 4.752 4.340 -0.006 0.000 0.284 300 L C -0.682 176.194 176.870 0.011 0.000 1.023 300 L CA -0.879 53.965 54.840 0.007 0.000 0.810 300 L CB 1.631 43.697 42.059 0.012 0.000 1.231 300 L HN 0.604 8.834 8.230 -0.000 0.000 0.423 301 L N 5.090 126.314 121.223 0.001 0.000 2.302 301 L HA 0.297 4.633 4.340 -0.006 0.000 0.285 301 L C -0.182 176.708 176.870 0.034 0.000 1.090 301 L CA 0.104 54.946 54.840 0.003 0.000 0.866 301 L CB 0.308 42.338 42.059 -0.048 0.000 1.244 301 L HN 0.445 8.675 8.230 -0.000 0.000 0.435 302 L N 4.566 125.832 121.223 0.071 0.000 2.385 302 L HA 0.146 4.483 4.340 -0.006 0.000 0.285 302 L C 1.562 178.532 176.870 0.166 0.000 1.125 302 L CA -0.062 54.832 54.840 0.091 0.000 0.890 302 L CB 0.267 42.369 42.059 0.072 0.000 1.251 302 L HN 0.815 9.044 8.230 -0.000 0.000 0.445 303 S N 1.184 116.987 115.700 0.172 0.000 2.423 303 S HA 0.057 4.524 4.470 -0.006 0.000 0.231 303 S C 0.867 175.687 174.600 0.367 0.000 1.014 303 S CA 0.435 58.829 58.200 0.323 0.000 0.965 303 S CB 0.099 63.508 63.200 0.347 0.000 0.785 303 S HN 0.709 9.019 8.310 -0.000 0.000 0.495 304 G N -1.701 107.244 108.800 0.242 0.000 2.601 304 G HA2 0.515 4.472 3.960 -0.006 0.000 0.291 304 G HA3 0.515 4.472 3.960 -0.006 0.000 0.291 304 G C -0.241 174.769 174.900 0.183 0.000 1.456 304 G CA -0.277 44.939 45.100 0.194 0.000 0.804 304 G HN 0.513 8.803 8.290 -0.000 0.000 0.499 305 G N -0.458 108.450 108.800 0.180 0.000 4.110 305 G HA2 0.208 4.164 3.960 -0.006 0.000 0.292 305 G HA3 0.208 4.164 3.960 -0.006 0.000 0.292 305 G C -0.066 174.913 174.900 0.132 0.000 1.020 305 G CA -0.300 44.906 45.100 0.177 0.000 0.808 305 G HN 0.360 8.650 8.290 -0.000 0.000 0.474 306 N N 2.218 120.980 118.700 0.103 0.000 3.245 306 N HA 0.169 4.906 4.740 -0.006 0.000 0.296 306 N C 0.428 175.990 175.510 0.087 0.000 1.254 306 N CA -0.097 53.005 53.050 0.088 0.000 1.190 306 N CB 0.351 38.876 38.487 0.064 0.000 1.460 306 N HN 0.620 9.000 8.380 -0.000 0.000 0.538 307 R N -1.118 119.444 120.500 0.103 0.000 2.720 307 R HA 0.483 4.820 4.340 -0.006 0.000 0.272 307 R C -0.651 175.719 176.300 0.116 0.000 0.991 307 R CA -0.803 55.355 56.100 0.097 0.000 1.010 307 R CB 1.083 31.442 30.300 0.099 0.000 1.141 307 R HN -0.079 8.191 8.270 -0.000 0.000 0.494 308 D N 0.721 121.180 120.400 0.099 0.000 2.372 308 D HA 0.050 4.687 4.640 -0.006 0.000 0.243 308 D C -0.954 175.442 176.300 0.161 0.000 1.121 308 D CA -0.270 53.801 54.000 0.119 0.000 0.898 308 D CB 0.530 41.375 40.800 0.076 0.000 1.202 308 D HN 0.362 8.732 8.370 -0.000 0.000 0.428 309 F N 2.284 122.265 119.950 0.052 0.000 2.418 309 F HA 0.421 4.945 4.527 -0.006 0.000 0.341 309 F C -0.170 175.659 175.800 0.049 0.000 1.120 309 F CA -0.364 57.673 58.000 0.062 0.000 1.232 309 F CB 0.712 39.743 39.000 0.053 0.000 1.175 309 F HN 0.289 8.589 8.300 -0.000 0.000 0.569 310 S N 6.553 121.650 115.700 -1.005 0.000 2.626 310 S HA 0.529 4.996 4.470 -0.006 0.000 0.275 310 S C -2.701 171.314 174.600 -0.973 0.000 1.175 310 S CA -1.133 56.608 58.200 -0.765 0.000 0.982 310 S CB 0.918 63.919 63.200 -0.331 0.000 1.093 310 S HN 0.665 8.975 8.310 -0.000 0.000 0.472 311 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 311 P CA 0.000 62.886 63.100 -0.357 0.000 0.800 311 P CB 0.000 31.643 31.700 -0.094 0.000 0.726