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 3heg_1_A DATA FIRST_RESID 5 DATA SEQUENCE RPTFYRQELN KTIWEVPERY QNLSPVXXXX YGSVCAAFDT KTGLRVAVKK DATA SEQUENCE LSRPFQSIIH AKRTYRELRL LKHMKHENVI GLLDVFTPAR SLEEFNDVYL DATA SEQUENCE VTHLMGADLN NIVKCQKLTD DHVQFLIYQI LRGLKYIHSA DIIHRDLKPS DATA SEQUENCE NLAVNEDCEL KILDFGXXXX XXXXXXXYVA TRWYRAPEIM LNWMHYNQTV DATA SEQUENCE DIWSVGCIMA ELLTGRTLFP GTDHIDQLKL ILRLVGTPGA ELLKKISSES DATA SEQUENCE ARNYIQSLTQ MPKMNFANVF IGANPLAVDL LEKMLVLDSD KRITAAQALA DATA SEQUENCE HAYFAQYHDP DDEPVADPYD QSFESRDLLI DEWKSLTYDE VISFVPPP 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 5 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 5 R C 0.000 176.368 176.300 0.113 0.000 0.893 5 R CA 0.000 56.169 56.100 0.115 0.000 0.921 5 R CB 0.000 30.382 30.300 0.137 0.000 0.687 6 P HA 0.070 4.490 4.420 -0.000 0.000 0.270 6 P C -0.894 176.456 177.300 0.083 0.000 1.221 6 P CA -0.193 62.910 63.100 0.006 0.000 0.788 6 P CB 0.599 32.203 31.700 -0.160 0.000 0.904 7 T N -0.196 114.355 114.554 -0.005 0.000 2.779 7 T HA 0.579 4.936 4.350 0.012 0.000 0.280 7 T C -0.620 174.118 174.700 0.062 0.000 0.987 7 T CA -0.646 61.523 62.100 0.114 0.000 0.966 7 T CB -0.037 68.886 68.868 0.092 0.000 0.933 7 T HN 0.071 8.311 8.240 -0.000 0.000 0.442 8 F N 3.220 123.212 119.950 0.070 0.000 2.408 8 F HA 0.673 5.207 4.527 0.011 0.000 0.325 8 F C -0.109 175.804 175.800 0.188 0.000 1.082 8 F CA -0.783 57.261 58.000 0.073 0.000 1.032 8 F CB 1.380 40.388 39.000 0.013 0.000 1.259 8 F HN 0.738 9.038 8.300 -0.000 0.000 0.503 9 Y N -1.032 119.385 120.300 0.195 0.000 2.470 9 Y HA 0.706 5.263 4.550 0.010 0.000 0.341 9 Y C -0.923 175.083 175.900 0.177 0.000 1.021 9 Y CA -1.568 56.620 58.100 0.146 0.000 1.025 9 Y CB 1.104 39.611 38.460 0.078 0.000 1.266 9 Y HN 0.447 8.727 8.280 -0.000 0.000 0.448 10 R N 3.069 123.679 120.500 0.183 0.000 2.500 10 R HA 0.521 4.867 4.340 0.012 0.000 0.277 10 R C -0.964 175.436 176.300 0.166 0.000 1.026 10 R CA -0.773 55.407 56.100 0.133 0.000 1.058 10 R CB 1.642 32.024 30.300 0.137 0.000 1.078 10 R HN 0.974 9.244 8.270 -0.000 0.000 0.509 11 Q N -0.050 119.850 119.800 0.167 0.000 2.578 11 Q HA 0.279 4.626 4.340 0.012 0.000 0.284 11 Q C -1.369 174.751 176.000 0.199 0.000 0.960 11 Q CA -1.013 54.894 55.803 0.175 0.000 0.809 11 Q CB 1.494 30.334 28.738 0.171 0.000 1.462 11 Q HN 0.279 8.549 8.270 -0.000 0.000 0.392 12 E N 1.634 121.926 120.200 0.154 0.000 2.001 12 E HA 0.349 4.706 4.350 0.012 0.000 0.279 12 E C -1.104 175.577 176.600 0.135 0.000 1.045 12 E CA -0.156 56.336 56.400 0.154 0.000 0.833 12 E CB 0.703 30.467 29.700 0.106 0.000 1.077 12 E HN 0.446 8.806 8.360 -0.000 0.000 0.397 13 L N 4.446 125.794 121.223 0.208 0.000 2.492 13 L HA 0.263 4.610 4.340 0.012 0.000 0.259 13 L C -1.058 175.951 176.870 0.231 0.000 1.229 13 L CA -0.471 54.420 54.840 0.085 0.000 0.903 13 L CB 0.715 42.640 42.059 -0.224 0.000 1.114 13 L HN 0.384 8.614 8.230 -0.000 0.000 0.494 14 N N 0.095 118.911 118.700 0.194 0.000 2.352 14 N HA 0.531 5.278 4.740 0.012 0.000 0.291 14 N C 0.119 175.699 175.510 0.117 0.000 1.040 14 N CA -0.861 52.262 53.050 0.121 0.000 0.864 14 N CB 2.059 40.586 38.487 0.066 0.000 1.440 14 N HN 0.105 8.485 8.380 -0.000 0.000 0.483 15 K N -1.278 119.183 120.400 0.102 0.000 3.596 15 K HA -0.171 4.156 4.320 0.012 0.000 0.295 15 K C -0.713 175.943 176.600 0.094 0.000 1.230 15 K CA 1.995 58.332 56.287 0.082 0.000 1.029 15 K CB -1.731 30.803 32.500 0.057 0.000 1.303 15 K HN 0.815 9.065 8.250 -0.000 0.000 0.442 16 T N 0.712 115.356 114.554 0.151 0.000 2.845 16 T HA 0.433 4.790 4.350 0.012 0.000 0.288 16 T C -0.038 174.799 174.700 0.229 0.000 0.980 16 T CA -0.637 61.554 62.100 0.151 0.000 1.071 16 T CB 1.479 70.479 68.868 0.219 0.000 0.941 16 T HN 0.196 8.436 8.240 -0.000 0.000 0.487 17 I N 3.294 123.940 120.570 0.127 0.000 2.325 17 I HA 0.339 4.516 4.170 0.012 0.000 0.291 17 I C -1.392 174.826 176.117 0.169 0.000 1.019 17 I CA -0.953 60.451 61.300 0.175 0.000 1.302 17 I CB 0.505 38.568 38.000 0.105 0.000 1.401 17 I HN 0.708 8.918 8.210 -0.000 0.000 0.485 18 W N 6.845 128.214 121.300 0.115 0.000 2.349 18 W HA 0.401 5.069 4.660 0.013 0.000 0.309 18 W C 0.080 176.639 176.519 0.066 0.000 1.083 18 W CA -0.523 56.917 57.345 0.159 0.000 1.224 18 W CB 0.808 30.330 29.460 0.102 0.000 1.256 18 W HN 0.463 8.643 8.180 -0.000 0.000 0.461 19 E N 3.485 123.842 120.200 0.263 0.000 2.149 19 E HA 0.440 4.797 4.350 0.012 0.000 0.255 19 E C -1.108 175.570 176.600 0.130 0.000 0.888 19 E CA -0.532 55.967 56.400 0.166 0.000 0.742 19 E CB 0.811 30.617 29.700 0.176 0.000 1.164 19 E HN 0.337 8.697 8.360 -0.000 0.000 0.422 20 V N 1.785 121.636 119.914 -0.104 0.000 2.864 20 V HA 0.745 4.872 4.120 0.012 0.000 0.314 20 V C -2.737 172.906 176.094 -0.753 0.000 1.073 20 V CA -2.843 59.174 62.300 -0.472 0.000 0.956 20 V CB 1.617 33.251 31.823 -0.315 0.000 1.023 20 V HN 0.487 8.677 8.190 -0.000 0.000 0.435 21 P HA 0.160 4.580 4.420 -0.000 0.000 0.269 21 P C 0.642 177.798 177.300 -0.239 0.000 1.217 21 P CA 0.112 62.628 63.100 -0.973 0.000 0.783 21 P CB 0.388 31.560 31.700 -0.881 0.000 0.898 22 E N 2.525 122.657 120.200 -0.113 0.000 2.153 22 E HA -0.262 4.095 4.350 0.012 0.000 0.194 22 E C 1.804 178.367 176.600 -0.061 0.000 0.988 22 E CA 0.587 57.006 56.400 0.031 0.000 0.811 22 E CB -0.590 29.078 29.700 -0.053 0.000 0.746 22 E HN 0.334 8.694 8.360 -0.000 0.000 0.466 23 R N 0.890 121.256 120.500 -0.223 0.000 2.208 23 R HA -0.214 4.133 4.340 0.012 0.000 0.262 23 R C -0.121 175.909 176.300 -0.450 0.000 1.166 23 R CA 1.475 57.329 56.100 -0.410 0.000 0.987 23 R CB -0.347 29.551 30.300 -0.669 0.000 0.887 23 R HN 0.258 8.528 8.270 -0.000 0.000 0.459 24 Y N 0.171 120.479 120.300 0.013 0.000 2.331 24 Y HA 0.402 4.959 4.550 0.011 0.000 0.338 24 Y C 0.017 176.035 175.900 0.197 0.000 0.992 24 Y CA -0.912 57.236 58.100 0.079 0.000 1.121 24 Y CB 1.796 40.276 38.460 0.033 0.000 1.184 24 Y HN 0.062 8.342 8.280 -0.000 0.000 0.469 25 Q N 1.482 121.475 119.800 0.321 0.000 2.458 25 Q HA 0.465 4.812 4.340 0.012 0.000 0.282 25 Q C -0.645 175.484 176.000 0.215 0.000 1.106 25 Q CA -0.840 55.109 55.803 0.242 0.000 0.814 25 Q CB 1.341 30.158 28.738 0.132 0.000 1.425 25 Q HN 0.643 8.913 8.270 -0.000 0.000 0.437 26 N N 0.451 119.232 118.700 0.135 0.000 2.738 26 N HA -0.203 4.544 4.740 0.012 0.000 0.249 26 N C -1.216 174.335 175.510 0.068 0.000 1.047 26 N CA 0.348 53.445 53.050 0.079 0.000 0.707 26 N CB -1.483 37.035 38.487 0.051 0.000 0.937 26 N HN 0.351 8.731 8.380 -0.000 0.000 0.545 27 L N 0.884 122.139 121.223 0.054 0.000 2.513 27 L HA 0.093 4.440 4.340 0.012 0.000 0.272 27 L C 0.908 177.714 176.870 -0.107 0.000 1.187 27 L CA 0.677 55.479 54.840 -0.065 0.000 0.895 27 L CB 0.576 42.529 42.059 -0.177 0.000 1.147 27 L HN 0.407 8.637 8.230 -0.000 0.000 0.483 28 S N 4.001 119.631 115.700 -0.117 0.000 2.614 28 S HA 0.692 5.169 4.470 0.012 0.000 0.288 28 S C -2.783 171.744 174.600 -0.123 0.000 1.137 28 S CA -1.705 56.430 58.200 -0.109 0.000 0.992 28 S CB 1.856 65.029 63.200 -0.045 0.000 1.026 28 S HN 0.270 8.580 8.310 -0.000 0.000 0.486 29 P HA 0.109 4.529 4.420 -0.000 0.000 0.263 29 P C -0.532 176.747 177.300 -0.034 0.000 1.162 29 P CA 0.201 63.253 63.100 -0.080 0.000 0.758 29 P CB 0.433 32.106 31.700 -0.044 0.000 0.773 36 G N 0.644 109.451 108.800 0.012 0.000 3.594 36 G HA2 0.623 4.590 3.960 0.012 0.000 0.295 36 G HA3 0.623 4.590 3.960 0.012 0.000 0.295 36 G C -0.360 174.549 174.900 0.015 0.000 1.576 36 G CA 0.653 45.751 45.100 -0.004 0.000 0.661 36 G HN 1.842 10.132 8.290 -0.000 0.000 0.452 37 S N -1.248 114.502 115.700 0.083 0.000 3.828 37 S HA -0.152 4.325 4.470 0.012 0.000 0.722 37 S C -0.123 174.682 174.600 0.342 0.000 0.508 37 S CA 0.057 58.389 58.200 0.219 0.000 1.434 37 S CB -1.112 62.187 63.200 0.165 0.000 0.825 37 S HN 1.203 9.513 8.310 -0.000 0.000 1.023 38 V N 3.329 123.419 119.914 0.294 0.000 2.656 38 V HA 0.633 4.760 4.120 0.012 0.000 0.307 38 V C 0.454 176.618 176.094 0.116 0.000 1.051 38 V CA -0.729 61.727 62.300 0.261 0.000 0.893 38 V CB 2.162 34.079 31.823 0.157 0.000 0.999 38 V HN 0.858 9.048 8.190 -0.000 0.000 0.426 39 C N 3.344 122.646 119.300 0.003 0.000 2.417 39 C HA 0.825 5.292 4.460 0.012 0.000 0.324 39 C C 0.814 175.776 174.990 -0.047 0.000 1.240 39 C CA -0.839 58.069 59.018 -0.185 0.000 1.632 39 C CB 1.153 28.555 27.740 -0.562 0.000 2.241 39 C HN 1.027 9.257 8.230 -0.000 0.000 0.499 40 A N 2.346 125.151 122.820 -0.024 0.000 2.425 40 A HA 0.698 5.025 4.320 0.012 0.000 0.249 40 A C 0.104 177.709 177.584 0.035 0.000 1.084 40 A CA 0.216 52.269 52.037 0.027 0.000 0.781 40 A CB 0.192 19.215 19.000 0.039 0.000 1.019 40 A HN 1.514 9.664 8.150 -0.000 0.000 0.490 41 A N 1.191 124.066 122.820 0.093 0.000 2.572 41 A HA 0.640 4.966 4.320 0.012 0.000 0.295 41 A C -1.090 176.627 177.584 0.222 0.000 1.072 41 A CA -0.497 51.635 52.037 0.157 0.000 0.691 41 A CB 0.814 19.918 19.000 0.174 0.000 1.291 41 A HN 1.199 9.349 8.150 -0.000 0.000 0.404 42 F N 1.893 121.912 119.950 0.116 0.000 2.404 42 F HA 0.403 4.935 4.527 0.009 0.000 0.358 42 F C 0.132 175.996 175.800 0.108 0.000 1.120 42 F CA -0.210 57.846 58.000 0.093 0.000 1.144 42 F CB 0.830 39.858 39.000 0.046 0.000 1.133 42 F HN 0.557 8.857 8.300 -0.000 0.000 0.495 43 D N 4.350 124.539 120.400 -0.352 0.000 2.422 43 D HA 0.033 4.680 4.640 0.012 0.000 0.227 43 D C 1.263 177.292 176.300 -0.452 0.000 1.190 43 D CA 0.036 53.863 54.000 -0.288 0.000 0.905 43 D CB 0.906 41.618 40.800 -0.145 0.000 1.034 43 D HN 0.671 9.041 8.370 -0.000 0.000 0.507 44 T N 0.799 115.235 114.554 -0.197 0.000 3.113 44 T HA -0.077 4.280 4.350 0.012 0.000 0.263 44 T C 1.515 176.166 174.700 -0.082 0.000 1.143 44 T CA 0.632 62.736 62.100 0.007 0.000 1.090 44 T CB 0.054 68.992 68.868 0.116 0.000 0.922 44 T HN 0.296 8.536 8.240 -0.000 0.000 0.521 45 K N 1.032 121.324 120.400 -0.179 0.000 2.186 45 K HA -0.011 4.316 4.320 0.012 0.000 0.202 45 K C 2.055 178.596 176.600 -0.098 0.000 1.052 45 K CA 1.435 57.643 56.287 -0.131 0.000 0.965 45 K CB 0.115 32.520 32.500 -0.158 0.000 0.746 45 K HN 0.601 8.851 8.250 -0.000 0.000 0.457 46 T N -4.905 109.571 114.554 -0.131 0.000 2.959 46 T HA 0.232 4.589 4.350 0.012 0.000 0.254 46 T C 1.190 175.823 174.700 -0.111 0.000 1.003 46 T CA 0.407 62.450 62.100 -0.094 0.000 0.950 46 T CB 0.959 69.779 68.868 -0.080 0.000 1.090 46 T HN 0.237 8.477 8.240 -0.000 0.000 0.503 47 G N 1.535 110.202 108.800 -0.222 0.000 2.176 47 G HA2 -0.191 3.776 3.960 0.012 0.000 0.253 47 G HA3 -0.191 3.776 3.960 0.012 0.000 0.253 47 G C -0.096 174.527 174.900 -0.463 0.000 0.979 47 G CA 0.234 45.190 45.100 -0.240 0.000 0.641 47 G HN 0.625 8.915 8.290 -0.000 0.000 0.530 48 L N -0.434 120.529 121.223 -0.435 0.000 2.387 48 L HA 0.648 4.995 4.340 0.012 0.000 0.266 48 L C 1.082 177.765 176.870 -0.313 0.000 1.059 48 L CA -1.124 53.572 54.840 -0.239 0.000 0.801 48 L CB 1.152 43.204 42.059 -0.012 0.000 1.223 48 L HN 0.095 8.325 8.230 -0.000 0.000 0.456 49 R N 0.909 121.367 120.500 -0.069 0.000 2.297 49 R HA 0.561 4.908 4.340 0.012 0.000 0.308 49 R C -0.994 175.356 176.300 0.083 0.000 1.029 49 R CA -0.416 55.698 56.100 0.022 0.000 0.929 49 R CB 1.359 31.720 30.300 0.102 0.000 1.046 49 R HN 0.523 8.793 8.270 -0.000 0.000 0.461 50 V N 0.334 120.298 119.914 0.083 0.000 3.001 50 V HA 0.835 4.962 4.120 0.012 0.000 0.314 50 V C -0.543 175.599 176.094 0.081 0.000 1.099 50 V CA -1.183 61.167 62.300 0.084 0.000 0.989 50 V CB 1.856 33.724 31.823 0.075 0.000 1.040 50 V HN 0.833 9.023 8.190 -0.000 0.000 0.434 51 A N 2.507 125.370 122.820 0.072 0.000 2.289 51 A HA 0.764 5.091 4.320 0.012 0.000 0.298 51 A C -0.370 177.247 177.584 0.054 0.000 1.208 51 A CA -0.509 51.572 52.037 0.074 0.000 0.845 51 A CB 0.710 19.764 19.000 0.091 0.000 1.125 51 A HN 1.300 9.450 8.150 -0.000 0.000 0.517 52 V N 3.622 123.588 119.914 0.087 0.000 2.384 52 V HA 0.379 4.506 4.120 0.012 0.000 0.287 52 V C 0.189 176.458 176.094 0.292 0.000 1.020 52 V CA -0.568 61.815 62.300 0.137 0.000 0.850 52 V CB 1.331 33.261 31.823 0.179 0.000 0.987 52 V HN 0.899 9.089 8.190 -0.000 0.000 0.436 53 K N 4.842 125.343 120.400 0.168 0.000 2.307 53 K HA 0.454 4.781 4.320 0.012 0.000 0.263 53 K C -0.516 176.054 176.600 -0.050 0.000 0.973 53 K CA -0.691 55.674 56.287 0.129 0.000 0.846 53 K CB 1.187 33.709 32.500 0.037 0.000 1.100 53 K HN 0.606 8.856 8.250 -0.000 0.000 0.438 54 K N 5.589 125.866 120.400 -0.205 0.000 2.240 54 K HA 0.199 4.526 4.320 0.012 0.000 0.271 54 K C -0.861 175.442 176.600 -0.496 0.000 1.018 54 K CA -0.771 55.095 56.287 -0.702 0.000 0.874 54 K CB 0.658 32.381 32.500 -1.296 0.000 1.098 54 K HN 0.432 8.682 8.250 -0.000 0.000 0.458 55 L N 3.429 124.345 121.223 -0.511 0.000 2.331 55 L HA 0.132 4.479 4.340 0.012 0.000 0.278 55 L C 0.284 176.929 176.870 -0.375 0.000 1.106 55 L CA 0.232 54.844 54.840 -0.379 0.000 0.824 55 L CB 1.096 42.922 42.059 -0.388 0.000 1.142 55 L HN 0.588 8.818 8.230 -0.000 0.000 0.443 56 S N 3.186 118.732 115.700 -0.256 0.000 2.523 56 S HA 0.467 4.944 4.470 0.012 0.000 0.275 56 S C 0.319 174.831 174.600 -0.148 0.000 1.281 56 S CA -0.885 57.198 58.200 -0.195 0.000 1.050 56 S CB 0.225 63.357 63.200 -0.114 0.000 0.937 56 S HN 0.577 8.887 8.310 -0.000 0.000 0.492 57 R N 0.420 120.816 120.500 -0.173 0.000 3.188 57 R HA -0.115 4.232 4.340 0.012 0.000 0.247 57 R C -2.016 174.201 176.300 -0.138 0.000 0.918 57 R CA 0.563 56.574 56.100 -0.148 0.000 0.629 57 R CB -1.982 28.235 30.300 -0.138 0.000 1.087 57 R HN 0.599 8.869 8.270 -0.000 0.000 0.462 58 P HA -0.161 4.259 4.420 -0.000 0.000 0.220 58 P C 0.280 177.149 177.300 -0.719 0.000 1.148 58 P CA 1.360 64.031 63.100 -0.716 0.000 0.803 58 P CB 0.114 31.063 31.700 -1.251 0.000 0.782 59 F N -0.820 119.103 119.950 -0.044 0.000 2.805 59 F HA 0.364 4.899 4.527 0.013 0.000 0.317 59 F C 2.188 177.959 175.800 -0.049 0.000 1.146 59 F CA -0.638 57.343 58.000 -0.031 0.000 1.265 59 F CB -0.613 38.340 39.000 -0.077 0.000 0.992 59 F HN -0.135 8.165 8.300 -0.000 0.000 0.511 60 Q N 1.009 120.794 119.800 -0.024 0.000 2.167 60 Q HA -0.044 4.303 4.340 0.012 0.000 0.202 60 Q C 0.693 176.639 176.000 -0.090 0.000 0.970 60 Q CA 1.241 56.964 55.803 -0.134 0.000 0.855 60 Q CB 0.392 28.908 28.738 -0.370 0.000 0.911 60 Q HN 0.462 8.732 8.270 -0.000 0.000 0.438 61 S N -2.450 113.231 115.700 -0.032 0.000 2.720 61 S HA 0.349 4.826 4.470 0.012 0.000 0.287 61 S C 0.812 175.483 174.600 0.119 0.000 1.168 61 S CA -0.829 57.389 58.200 0.029 0.000 0.832 61 S CB 0.138 63.335 63.200 -0.006 0.000 1.166 61 S HN 0.202 8.512 8.310 -0.000 0.000 0.493 62 I N 0.731 121.376 120.570 0.126 0.000 2.202 62 I HA -0.119 4.057 4.170 0.012 0.000 0.242 62 I C 2.007 178.168 176.117 0.075 0.000 1.091 62 I CA 1.046 62.457 61.300 0.185 0.000 1.368 62 I CB -0.357 37.768 38.000 0.208 0.000 1.058 62 I HN 0.561 8.771 8.210 -0.000 0.000 0.410 63 I N 0.418 121.023 120.570 0.058 0.000 2.226 63 I HA -0.304 3.873 4.170 0.012 0.000 0.245 63 I C 2.590 178.703 176.117 -0.006 0.000 1.100 63 I CA 1.936 63.240 61.300 0.007 0.000 1.374 63 I CB -1.244 36.775 38.000 0.031 0.000 1.057 63 I HN 0.287 8.497 8.210 -0.000 0.000 0.413 64 H N 0.760 119.786 119.070 -0.074 0.000 2.353 64 H HA -0.079 4.484 4.556 0.011 0.000 0.300 64 H C 2.247 177.505 175.328 -0.116 0.000 1.090 64 H CA 1.927 57.913 56.048 -0.103 0.000 1.327 64 H CB -0.043 29.661 29.762 -0.098 0.000 1.383 64 H HN 0.335 8.615 8.280 -0.000 0.000 0.508 65 A N 0.461 123.342 122.820 0.101 0.000 1.873 65 A HA -0.168 4.159 4.320 0.012 0.000 0.215 65 A C 2.210 179.727 177.584 -0.111 0.000 1.186 65 A CA 1.637 53.782 52.037 0.180 0.000 0.616 65 A CB -0.426 18.819 19.000 0.409 0.000 0.823 65 A HN 0.371 8.521 8.150 -0.000 0.000 0.442 66 K N -0.499 119.552 120.400 -0.582 0.000 2.063 66 K HA -0.191 4.136 4.320 0.012 0.000 0.208 66 K C 2.354 178.732 176.600 -0.370 0.000 1.048 66 K CA 1.605 57.313 56.287 -0.965 0.000 0.928 66 K CB -0.176 31.727 32.500 -0.995 0.000 0.713 66 K HN 0.452 8.702 8.250 -0.000 0.000 0.442 67 R N -0.070 120.289 120.500 -0.235 0.000 2.073 67 R HA -0.122 4.225 4.340 0.012 0.000 0.234 67 R C 1.993 178.207 176.300 -0.143 0.000 1.134 67 R CA 2.174 58.174 56.100 -0.167 0.000 0.952 67 R CB -0.416 29.756 30.300 -0.212 0.000 0.850 67 R HN 0.186 8.456 8.270 -0.000 0.000 0.433 68 T N 0.021 114.486 114.554 -0.149 0.000 2.635 68 T HA -0.250 4.107 4.350 0.012 0.000 0.267 68 T C 1.447 176.149 174.700 0.003 0.000 1.040 68 T CA 1.836 63.865 62.100 -0.119 0.000 1.156 68 T CB -0.546 68.198 68.868 -0.206 0.000 0.863 68 T HN 0.437 8.677 8.240 -0.000 0.000 0.430 69 Y N 1.914 122.171 120.300 -0.071 0.000 2.181 69 Y HA -0.136 4.421 4.550 0.012 0.000 0.288 69 Y C 2.771 178.530 175.900 -0.236 0.000 1.146 69 Y CA 1.576 59.616 58.100 -0.099 0.000 1.164 69 Y CB -0.093 38.300 38.460 -0.112 0.000 0.982 69 Y HN -0.008 8.272 8.280 -0.000 0.000 0.515 70 R N 0.454 120.827 120.500 -0.212 0.000 2.081 70 R HA -0.236 4.111 4.340 0.012 0.000 0.235 70 R C 2.186 178.445 176.300 -0.069 0.000 1.131 70 R CA 1.979 58.023 56.100 -0.094 0.000 0.960 70 R CB -0.354 30.054 30.300 0.179 0.000 0.856 70 R HN 0.446 8.716 8.270 -0.000 0.000 0.436 71 E N 0.739 120.888 120.200 -0.086 0.000 2.047 71 E HA -0.155 4.202 4.350 0.012 0.000 0.191 71 E C 2.054 178.598 176.600 -0.094 0.000 0.987 71 E CA 1.148 57.499 56.400 -0.081 0.000 0.799 71 E CB -0.353 29.287 29.700 -0.100 0.000 0.752 71 E HN 0.405 8.765 8.360 -0.000 0.000 0.449 72 L N 0.150 121.303 121.223 -0.118 0.000 2.017 72 L HA -0.171 4.176 4.340 0.012 0.000 0.208 72 L C 2.541 179.340 176.870 -0.119 0.000 1.073 72 L CA 1.328 56.105 54.840 -0.105 0.000 0.745 72 L CB -0.269 41.753 42.059 -0.062 0.000 0.894 72 L HN 0.200 8.430 8.230 -0.000 0.000 0.432 73 R N -0.197 120.151 120.500 -0.254 0.000 2.103 73 R HA -0.222 4.125 4.340 0.012 0.000 0.242 73 R C 2.111 178.446 176.300 0.058 0.000 1.142 73 R CA 1.572 57.576 56.100 -0.160 0.000 0.960 73 R CB -1.007 29.063 30.300 -0.383 0.000 0.858 73 R HN 0.402 8.672 8.270 -0.000 0.000 0.439 74 L N 0.598 121.837 121.223 0.026 0.000 2.044 74 L HA -0.078 4.269 4.340 0.012 0.000 0.205 74 L C 2.314 179.166 176.870 -0.030 0.000 1.075 74 L CA 1.107 55.921 54.840 -0.043 0.000 0.747 74 L CB -0.243 41.799 42.059 -0.028 0.000 0.903 74 L HN 0.078 8.308 8.230 -0.000 0.000 0.435 75 L N -0.217 120.993 121.223 -0.020 0.000 2.079 75 L HA -0.261 4.086 4.340 0.012 0.000 0.210 75 L C 2.558 179.459 176.870 0.051 0.000 1.081 75 L CA 1.508 56.345 54.840 -0.006 0.000 0.752 75 L CB -0.547 41.488 42.059 -0.040 0.000 0.896 75 L HN 0.258 8.488 8.230 -0.000 0.000 0.433 76 K N -1.248 119.201 120.400 0.082 0.000 2.283 76 K HA -0.208 4.119 4.320 0.012 0.000 0.202 76 K C 1.915 178.622 176.600 0.179 0.000 1.048 76 K CA 1.031 57.419 56.287 0.167 0.000 0.948 76 K CB -0.098 32.513 32.500 0.185 0.000 0.742 76 K HN 0.293 8.543 8.250 -0.000 0.000 0.458 77 H N -0.360 118.723 119.070 0.022 0.000 2.520 77 H HA 0.160 4.723 4.556 0.011 0.000 0.279 77 H C 0.083 175.447 175.328 0.060 0.000 0.990 77 H CA 0.247 56.297 56.048 0.003 0.000 1.288 77 H CB 0.402 30.041 29.762 -0.205 0.000 1.446 77 H HN -0.113 8.167 8.280 -0.000 0.000 0.538 78 M N 1.776 121.429 119.600 0.089 0.000 2.350 78 M HA 0.124 4.611 4.480 0.012 0.000 0.338 78 M C -0.581 175.755 176.300 0.061 0.000 1.559 78 M CA 0.676 56.059 55.300 0.139 0.000 1.217 78 M CB 0.077 32.736 32.600 0.097 0.000 1.808 78 M HN 0.148 8.438 8.290 -0.000 0.000 0.458 79 K N 2.728 123.147 120.400 0.030 0.000 2.920 79 K HA 0.335 4.662 4.320 0.012 0.000 0.175 79 K C -1.180 175.232 176.600 -0.313 0.000 1.099 79 K CA -0.285 55.952 56.287 -0.083 0.000 0.939 79 K CB 0.985 33.468 32.500 -0.028 0.000 1.148 79 K HN 0.635 8.885 8.250 -0.000 0.000 0.613 80 H N -0.603 118.165 119.070 -0.503 0.000 3.046 80 H HA 0.140 4.703 4.556 0.011 0.000 0.363 80 H C 0.402 175.536 175.328 -0.324 0.000 1.203 80 H CA -0.561 55.118 56.048 -0.616 0.000 1.169 80 H CB 1.496 30.550 29.762 -1.181 0.000 1.851 80 H HN 0.255 8.535 8.280 -0.000 0.000 0.546 81 E N 2.020 121.914 120.200 -0.510 0.000 2.110 81 E HA -0.154 4.203 4.350 0.012 0.000 0.193 81 E C 0.192 176.730 176.600 -0.103 0.000 0.988 81 E CA 1.190 57.429 56.400 -0.268 0.000 0.804 81 E CB 0.002 29.519 29.700 -0.305 0.000 0.745 81 E HN 0.565 8.925 8.360 -0.000 0.000 0.458 82 N N 0.544 119.304 118.700 0.100 0.000 2.295 82 N HA 0.099 4.846 4.740 0.012 0.000 0.221 82 N C -1.128 174.388 175.510 0.009 0.000 1.129 82 N CA -0.131 52.953 53.050 0.057 0.000 0.836 82 N CB 1.084 39.584 38.487 0.021 0.000 1.040 82 N HN -0.140 8.240 8.380 -0.000 0.000 0.494 83 V N 1.043 120.965 119.914 0.013 0.000 2.686 83 V HA 0.260 4.387 4.120 0.012 0.000 0.306 83 V C 0.111 176.190 176.094 -0.025 0.000 1.065 83 V CA -1.208 61.072 62.300 -0.032 0.000 0.894 83 V CB 2.454 34.254 31.823 -0.039 0.000 1.004 83 V HN 0.154 8.344 8.190 -0.000 0.000 0.424 84 I N 3.163 123.714 120.570 -0.032 0.000 3.017 84 I HA 0.295 4.472 4.170 0.012 0.000 0.310 84 I C 0.794 176.909 176.117 -0.003 0.000 1.220 84 I CA 1.190 62.476 61.300 -0.023 0.000 1.450 84 I CB 0.472 38.436 38.000 -0.061 0.000 1.317 84 I HN 0.814 9.024 8.210 -0.000 0.000 0.570 85 G N 7.159 115.970 108.800 0.019 0.000 2.569 85 G HA2 0.498 4.465 3.960 0.012 0.000 0.300 85 G HA3 0.498 4.465 3.960 0.012 0.000 0.300 85 G C -1.383 173.533 174.900 0.026 0.000 1.269 85 G CA -0.816 44.302 45.100 0.031 0.000 0.959 85 G HN 0.605 8.895 8.290 -0.000 0.000 0.478 86 L N 2.087 123.341 121.223 0.052 0.000 2.255 86 L HA 0.205 4.552 4.340 0.012 0.000 0.289 86 L C 0.679 177.617 176.870 0.114 0.000 1.046 86 L CA -0.814 54.046 54.840 0.033 0.000 0.816 86 L CB 1.323 43.394 42.059 0.020 0.000 1.197 86 L HN 0.394 8.624 8.230 -0.000 0.000 0.427 87 L N 2.917 124.164 121.223 0.040 0.000 2.072 87 L HA 0.117 4.464 4.340 0.012 0.000 0.205 87 L C 0.550 177.567 176.870 0.245 0.000 1.079 87 L CA 1.361 56.258 54.840 0.095 0.000 0.752 87 L CB -0.539 41.496 42.059 -0.040 0.000 0.906 87 L HN 0.600 8.830 8.230 -0.000 0.000 0.436 88 D N -2.756 117.667 120.400 0.038 0.000 2.623 88 D HA 0.383 5.030 4.640 0.012 0.000 0.241 88 D C -1.471 174.572 176.300 -0.428 0.000 1.241 88 D CA -0.300 53.657 54.000 -0.072 0.000 0.788 88 D CB 2.339 43.312 40.800 0.288 0.000 1.413 88 D HN -0.292 8.078 8.370 -0.000 0.000 0.429 89 V N 3.587 123.131 119.914 -0.617 0.000 2.569 89 V HA 0.822 4.949 4.120 0.012 0.000 0.301 89 V C -1.528 174.556 176.094 -0.016 0.000 1.044 89 V CA -0.514 61.561 62.300 -0.376 0.000 0.874 89 V CB 0.870 32.408 31.823 -0.476 0.000 1.002 89 V HN 0.480 8.670 8.190 -0.000 0.000 0.424 90 F N 3.194 123.188 119.950 0.073 0.000 2.588 90 F HA 0.913 5.447 4.527 0.011 0.000 0.314 90 F C -0.507 175.514 175.800 0.369 0.000 1.069 90 F CA -0.743 57.384 58.000 0.212 0.000 0.931 90 F CB 1.956 41.089 39.000 0.222 0.000 1.260 90 F HN 0.486 8.786 8.300 -0.000 0.000 0.465 91 T N 1.518 116.448 114.554 0.627 0.000 2.876 91 T HA 0.496 4.853 4.350 0.012 0.000 0.289 91 T C -2.195 172.762 174.700 0.427 0.000 1.014 91 T CA -2.087 60.374 62.100 0.602 0.000 0.986 91 T CB 1.779 71.031 68.868 0.640 0.000 1.021 91 T HN 0.514 8.754 8.240 -0.000 0.000 0.458 92 P HA 0.161 4.581 4.420 -0.000 0.000 0.225 92 P C 0.300 177.495 177.300 -0.175 0.000 1.148 92 P CA 0.204 63.051 63.100 -0.422 0.000 0.779 92 P CB -0.231 31.300 31.700 -0.280 0.000 0.780 93 A N 0.420 123.308 122.820 0.113 0.000 2.445 93 A HA 0.169 4.496 4.320 0.012 0.000 0.242 93 A C 1.536 179.203 177.584 0.140 0.000 1.075 93 A CA -0.097 52.030 52.037 0.149 0.000 0.777 93 A CB 0.278 19.462 19.000 0.308 0.000 1.013 93 A HN -0.118 8.032 8.150 -0.000 0.000 0.493 94 R N 0.183 120.735 120.500 0.087 0.000 2.225 94 R HA 0.092 4.439 4.340 0.012 0.000 0.194 94 R C 0.203 176.574 176.300 0.117 0.000 0.957 94 R CA 1.312 57.468 56.100 0.093 0.000 1.042 94 R CB -0.111 30.218 30.300 0.048 0.000 1.004 94 R HN 0.891 9.161 8.270 -0.000 0.000 0.509 95 S N -1.226 114.501 115.700 0.045 0.000 2.599 95 S HA 0.255 4.732 4.470 0.012 0.000 0.287 95 S C 0.994 175.375 174.600 -0.366 0.000 1.105 95 S CA -0.825 57.344 58.200 -0.051 0.000 0.899 95 S CB 1.464 64.638 63.200 -0.042 0.000 1.100 95 S HN 0.063 8.373 8.310 -0.000 0.000 0.482 96 L N 0.539 121.371 121.223 -0.652 0.000 2.089 96 L HA -0.201 4.146 4.340 0.012 0.000 0.213 96 L C 2.106 178.764 176.870 -0.353 0.000 1.079 96 L CA 2.096 56.407 54.840 -0.880 0.000 0.758 96 L CB -0.582 41.185 42.059 -0.486 0.000 0.891 96 L HN 0.823 9.053 8.230 -0.000 0.000 0.433 97 E N 0.188 120.265 120.200 -0.206 0.000 2.072 97 E HA -0.245 4.112 4.350 0.012 0.000 0.191 97 E C 1.759 178.318 176.600 -0.068 0.000 0.985 97 E CA 1.574 57.908 56.400 -0.109 0.000 0.801 97 E CB -0.126 29.529 29.700 -0.075 0.000 0.750 97 E HN 0.702 9.062 8.360 -0.000 0.000 0.452 98 E N -0.054 120.117 120.200 -0.048 0.000 2.476 98 E HA -0.050 4.307 4.350 0.012 0.000 0.191 98 E C -0.239 176.396 176.600 0.059 0.000 1.064 98 E CA -0.361 56.038 56.400 -0.002 0.000 0.866 98 E CB -0.199 29.505 29.700 0.006 0.000 0.952 98 E HN 0.082 8.442 8.360 -0.000 0.000 0.492 99 F N 2.230 122.087 119.950 -0.154 0.000 2.487 99 F HA 0.201 4.734 4.527 0.011 0.000 0.364 99 F C 0.520 176.320 175.800 0.000 0.000 1.126 99 F CA -0.245 57.697 58.000 -0.096 0.000 1.135 99 F CB 0.422 39.252 39.000 -0.283 0.000 1.127 99 F HN -0.057 8.243 8.300 -0.000 0.000 0.559 100 N N 2.868 121.462 118.700 -0.177 0.000 2.272 100 N HA 0.018 4.765 4.740 0.012 0.000 0.228 100 N C -0.926 174.464 175.510 -0.200 0.000 1.206 100 N CA 0.151 53.101 53.050 -0.168 0.000 0.855 100 N CB 0.741 39.186 38.487 -0.069 0.000 1.248 100 N HN 0.536 8.916 8.380 -0.000 0.000 0.476 101 D N 0.892 121.200 120.400 -0.153 0.000 2.342 101 D HA 0.380 5.026 4.640 0.012 0.000 0.243 101 D C -0.618 175.620 176.300 -0.103 0.000 1.019 101 D CA -0.331 53.534 54.000 -0.225 0.000 0.864 101 D CB 3.344 43.992 40.800 -0.253 0.000 1.315 101 D HN -0.277 8.093 8.370 -0.000 0.000 0.468 102 V N 2.172 121.904 119.914 -0.303 0.000 2.577 102 V HA 0.290 4.417 4.120 0.012 0.000 0.303 102 V C -1.290 174.535 176.094 -0.449 0.000 1.042 102 V CA -0.734 61.482 62.300 -0.139 0.000 0.872 102 V CB 1.182 32.962 31.823 -0.072 0.000 0.998 102 V HN 0.418 8.608 8.190 -0.000 0.000 0.423 103 Y N 4.549 124.574 120.300 -0.458 0.000 2.393 103 Y HA 0.686 5.242 4.550 0.010 0.000 0.341 103 Y C -0.041 175.466 175.900 -0.656 0.000 0.988 103 Y CA -0.868 56.809 58.100 -0.705 0.000 1.078 103 Y CB 1.730 39.381 38.460 -1.349 0.000 1.203 103 Y HN 0.411 8.691 8.280 -0.000 0.000 0.453 104 L N 4.157 125.216 121.223 -0.274 0.000 2.296 104 L HA 0.631 4.978 4.340 0.012 0.000 0.286 104 L C -0.908 175.864 176.870 -0.163 0.000 1.023 104 L CA -1.073 53.636 54.840 -0.218 0.000 0.812 104 L CB 1.346 43.313 42.059 -0.153 0.000 1.223 104 L HN 0.332 8.562 8.230 -0.000 0.000 0.421 105 V N 2.377 122.195 119.914 -0.159 0.000 2.357 105 V HA 0.471 4.598 4.120 0.012 0.000 0.284 105 V C 0.154 176.207 176.094 -0.068 0.000 1.018 105 V CA -0.232 62.008 62.300 -0.099 0.000 0.841 105 V CB 1.448 33.221 31.823 -0.084 0.000 0.991 105 V HN 0.780 8.970 8.190 -0.000 0.000 0.437 106 T N 2.835 117.362 114.554 -0.045 0.000 2.916 106 T HA 0.464 4.821 4.350 0.012 0.000 0.292 106 T C -0.458 174.232 174.700 -0.016 0.000 1.064 106 T CA -0.452 61.630 62.100 -0.030 0.000 1.011 106 T CB 1.202 70.066 68.868 -0.008 0.000 1.152 106 T HN 0.668 8.908 8.240 -0.000 0.000 0.510 107 H N 1.165 120.245 119.070 0.017 0.000 2.771 107 H HA 0.213 4.775 4.556 0.011 0.000 0.364 107 H C -0.098 175.243 175.328 0.022 0.000 1.133 107 H CA -0.273 55.785 56.048 0.018 0.000 1.423 107 H CB 0.701 30.465 29.762 0.005 0.000 1.425 107 H HN 0.237 8.517 8.280 -0.000 0.000 0.606 108 L N 3.901 125.242 121.223 0.197 0.000 2.361 108 L HA 0.107 4.454 4.340 0.012 0.000 0.278 108 L C 0.370 177.297 176.870 0.096 0.000 1.113 108 L CA 0.207 55.122 54.840 0.125 0.000 0.849 108 L CB 0.170 42.294 42.059 0.109 0.000 1.155 108 L HN 0.554 8.784 8.230 -0.000 0.000 0.452 109 M N 5.146 124.803 119.600 0.095 0.000 2.146 109 M HA 0.332 4.819 4.480 0.012 0.000 0.352 109 M C 0.802 177.150 176.300 0.081 0.000 1.343 109 M CA 0.323 55.672 55.300 0.082 0.000 1.115 109 M CB 0.954 33.624 32.600 0.116 0.000 1.657 109 M HN 0.778 9.068 8.290 -0.000 0.000 0.471 110 G N 3.825 112.657 108.800 0.053 0.000 2.658 110 G HA2 0.352 4.318 3.960 0.012 0.000 0.217 110 G HA3 0.352 4.318 3.960 0.012 0.000 0.217 110 G C -0.001 174.928 174.900 0.047 0.000 1.319 110 G CA 0.344 45.471 45.100 0.046 0.000 0.885 110 G HN 0.829 9.119 8.290 -0.000 0.000 0.553 111 A N 0.718 123.559 122.820 0.034 0.000 2.306 111 A HA 0.590 4.917 4.320 0.012 0.000 0.314 111 A C -0.285 177.321 177.584 0.035 0.000 1.164 111 A CA -0.199 51.857 52.037 0.031 0.000 0.822 111 A CB 0.772 19.783 19.000 0.018 0.000 1.130 111 A HN 0.547 8.697 8.150 -0.000 0.000 0.496 112 D N 0.808 121.236 120.400 0.045 0.000 2.466 112 D HA 0.159 4.806 4.640 0.012 0.000 0.262 112 D C 1.139 177.447 176.300 0.013 0.000 1.177 112 D CA -0.779 53.245 54.000 0.040 0.000 1.035 112 D CB 0.280 41.126 40.800 0.077 0.000 1.105 112 D HN 0.265 8.635 8.370 -0.000 0.000 0.551 113 L N -0.143 121.077 121.223 -0.006 0.000 2.081 113 L HA -0.238 4.109 4.340 0.012 0.000 0.212 113 L C 1.687 178.563 176.870 0.010 0.000 1.080 113 L CA 1.709 56.540 54.840 -0.014 0.000 0.754 113 L CB -0.466 41.570 42.059 -0.038 0.000 0.893 113 L HN 0.470 8.700 8.230 -0.000 0.000 0.433 114 N N -0.299 118.416 118.700 0.025 0.000 2.142 114 N HA -0.198 4.548 4.740 0.012 0.000 0.186 114 N C 1.399 176.934 175.510 0.041 0.000 1.023 114 N CA 1.522 54.600 53.050 0.046 0.000 0.852 114 N CB -0.067 38.459 38.487 0.064 0.000 0.998 114 N HN 0.479 8.859 8.380 -0.000 0.000 0.424 115 N N 0.627 119.347 118.700 0.034 0.000 2.205 115 N HA -0.119 4.628 4.740 0.012 0.000 0.186 115 N C 1.347 176.871 175.510 0.023 0.000 1.015 115 N CA 0.606 53.673 53.050 0.029 0.000 0.862 115 N CB 0.111 38.614 38.487 0.026 0.000 0.986 115 N HN 0.201 8.581 8.380 -0.000 0.000 0.429 116 I N 0.511 121.091 120.570 0.017 0.000 2.286 116 I HA -0.132 4.045 4.170 0.012 0.000 0.245 116 I C 2.124 178.252 176.117 0.018 0.000 1.104 116 I CA 0.888 62.193 61.300 0.008 0.000 1.397 116 I CB -0.760 37.234 38.000 -0.010 0.000 1.072 116 I HN -0.006 8.204 8.210 -0.000 0.000 0.417 117 V N 1.299 121.230 119.914 0.029 0.000 2.261 117 V HA -0.223 3.904 4.120 0.012 0.000 0.246 117 V C 2.065 178.184 176.094 0.040 0.000 1.047 117 V CA 1.463 63.788 62.300 0.042 0.000 1.015 117 V CB -0.685 31.168 31.823 0.049 0.000 0.642 117 V HN 0.309 8.499 8.190 -0.000 0.000 0.446 118 K N -0.281 120.142 120.400 0.039 0.000 2.616 118 K HA 0.008 4.335 4.320 0.012 0.000 0.192 118 K C 1.580 178.199 176.600 0.031 0.000 1.031 118 K CA 0.531 56.840 56.287 0.037 0.000 1.004 118 K CB -1.219 31.305 32.500 0.040 0.000 0.810 118 K HN 0.542 8.792 8.250 -0.000 0.000 0.497 119 C N 0.132 119.450 119.300 0.030 0.000 2.587 119 C HA 0.060 4.527 4.460 0.012 0.000 0.287 119 C C 1.008 176.018 174.990 0.033 0.000 1.374 119 C CA 0.011 59.045 59.018 0.028 0.000 1.770 119 C CB -0.055 27.699 27.740 0.023 0.000 2.137 119 C HN 0.568 8.798 8.230 -0.000 0.000 0.550 120 Q N 0.882 120.706 119.800 0.040 0.000 2.416 120 Q HA 0.499 4.846 4.340 0.012 0.000 0.281 120 Q C -1.474 174.569 176.000 0.071 0.000 1.067 120 Q CA -0.753 55.082 55.803 0.053 0.000 0.809 120 Q CB 1.169 29.942 28.738 0.058 0.000 1.418 120 Q HN 0.485 8.755 8.270 -0.000 0.000 0.411 121 K N 1.585 122.031 120.400 0.077 0.000 2.218 121 K HA 0.490 4.817 4.320 0.012 0.000 0.276 121 K C -0.771 175.911 176.600 0.136 0.000 1.022 121 K CA -0.625 55.712 56.287 0.084 0.000 0.946 121 K CB 0.864 33.398 32.500 0.057 0.000 1.000 121 K HN 0.519 8.769 8.250 -0.000 0.000 0.468 122 L N 2.727 124.035 121.223 0.142 0.000 2.289 122 L HA 0.242 4.589 4.340 0.012 0.000 0.285 122 L C 0.257 177.178 176.870 0.086 0.000 1.049 122 L CA -0.875 54.099 54.840 0.223 0.000 0.804 122 L CB 1.681 43.864 42.059 0.208 0.000 1.195 122 L HN 0.789 9.019 8.230 -0.000 0.000 0.428 123 T N 0.310 114.812 114.554 -0.085 0.000 2.828 123 T HA -0.046 4.311 4.350 0.012 0.000 0.290 123 T C 0.923 175.599 174.700 -0.040 0.000 1.019 123 T CA -0.152 61.836 62.100 -0.187 0.000 1.031 123 T CB 1.125 69.690 68.868 -0.504 0.000 1.001 123 T HN 0.725 8.965 8.240 -0.000 0.000 0.531 124 D N 0.052 120.451 120.400 -0.001 0.000 2.218 124 D HA -0.123 4.524 4.640 0.012 0.000 0.204 124 D C 1.650 177.993 176.300 0.072 0.000 0.976 124 D CA 1.132 55.181 54.000 0.083 0.000 0.853 124 D CB 0.053 40.910 40.800 0.094 0.000 0.939 124 D HN 0.623 8.993 8.370 -0.000 0.000 0.481 125 D N -1.360 119.043 120.400 0.006 0.000 2.149 125 D HA -0.180 4.467 4.640 0.012 0.000 0.201 125 D C 1.672 178.114 176.300 0.238 0.000 0.972 125 D CA 1.045 55.094 54.000 0.082 0.000 0.835 125 D CB 0.011 40.824 40.800 0.022 0.000 0.966 125 D HN 0.252 8.622 8.370 -0.000 0.000 0.476 126 H N -0.244 118.909 119.070 0.138 0.000 2.321 126 H HA -0.058 4.505 4.556 0.012 0.000 0.300 126 H C 2.394 177.814 175.328 0.152 0.000 1.087 126 H CA 1.356 57.497 56.048 0.154 0.000 1.319 126 H CB -0.807 29.024 29.762 0.115 0.000 1.379 126 H HN 0.101 8.381 8.280 -0.000 0.000 0.501 127 V N 1.206 121.287 119.914 0.280 0.000 2.332 127 V HA -0.286 3.841 4.120 0.012 0.000 0.248 127 V C 2.398 178.667 176.094 0.291 0.000 1.055 127 V CA 1.914 64.365 62.300 0.251 0.000 1.038 127 V CB -0.614 31.364 31.823 0.260 0.000 0.651 127 V HN 0.409 8.599 8.190 -0.000 0.000 0.450 128 Q N -1.162 118.762 119.800 0.207 0.000 2.050 128 Q HA -0.200 4.147 4.340 0.012 0.000 0.202 128 Q C 2.209 178.355 176.000 0.243 0.000 0.980 128 Q CA 2.032 57.906 55.803 0.118 0.000 0.840 128 Q CB -0.273 28.443 28.738 -0.036 0.000 0.898 128 Q HN 0.628 8.898 8.270 -0.000 0.000 0.424 129 F N 0.896 120.756 119.950 -0.150 0.000 2.113 129 F HA -0.171 4.362 4.527 0.011 0.000 0.297 129 F C 1.755 177.462 175.800 -0.155 0.000 1.103 129 F CA 0.814 58.519 58.000 -0.491 0.000 1.248 129 F CB -0.300 38.446 39.000 -0.424 0.000 0.999 129 F HN 0.005 8.305 8.300 -0.000 0.000 0.475 130 L N 0.407 121.575 121.223 -0.091 0.000 1.989 130 L HA -0.245 4.102 4.340 0.012 0.000 0.211 130 L C 2.455 179.250 176.870 -0.125 0.000 1.071 130 L CA 1.505 56.247 54.840 -0.164 0.000 0.749 130 L CB -1.453 40.585 42.059 -0.035 0.000 0.890 130 L HN 0.122 8.352 8.230 -0.000 0.000 0.431 131 I N -1.949 118.647 120.570 0.043 0.000 2.315 131 I HA -0.296 3.881 4.170 0.012 0.000 0.248 131 I C 2.487 178.512 176.117 -0.153 0.000 1.117 131 I CA 1.003 62.342 61.300 0.065 0.000 1.404 131 I CB -1.407 36.785 38.000 0.319 0.000 1.071 131 I HN 0.272 8.482 8.210 -0.000 0.000 0.419 132 Y N 2.343 122.475 120.300 -0.279 0.000 2.114 132 Y HA -0.312 4.245 4.550 0.011 0.000 0.282 132 Y C 2.735 178.388 175.900 -0.411 0.000 1.165 132 Y CA 2.098 59.842 58.100 -0.594 0.000 1.148 132 Y CB -0.338 37.934 38.460 -0.313 0.000 0.972 132 Y HN 0.245 8.525 8.280 -0.000 0.000 0.504 133 Q N -0.341 119.193 119.800 -0.444 0.000 2.083 133 Q HA -0.103 4.244 4.340 0.012 0.000 0.198 133 Q C 2.358 178.128 176.000 -0.384 0.000 0.969 133 Q CA 1.701 57.236 55.803 -0.447 0.000 0.838 133 Q CB -0.124 28.341 28.738 -0.455 0.000 0.900 133 Q HN 0.554 8.824 8.270 -0.000 0.000 0.436 134 I N 0.851 121.224 120.570 -0.327 0.000 2.118 134 I HA -0.346 3.831 4.170 0.012 0.000 0.241 134 I C 2.180 178.107 176.117 -0.317 0.000 1.070 134 I CA 1.356 62.488 61.300 -0.279 0.000 1.327 134 I CB -0.404 37.465 38.000 -0.218 0.000 1.034 134 I HN 0.196 8.406 8.210 -0.000 0.000 0.405 135 L N 0.104 121.102 121.223 -0.376 0.000 2.083 135 L HA -0.216 4.131 4.340 0.012 0.000 0.209 135 L C 2.784 179.418 176.870 -0.393 0.000 1.083 135 L CA 1.363 55.976 54.840 -0.379 0.000 0.752 135 L CB -0.625 41.185 42.059 -0.415 0.000 0.899 135 L HN 0.225 8.455 8.230 -0.000 0.000 0.433 136 R N 0.297 120.490 120.500 -0.512 0.000 2.075 136 R HA -0.127 4.220 4.340 0.012 0.000 0.232 136 R C 2.290 178.424 176.300 -0.276 0.000 1.126 136 R CA 1.432 57.313 56.100 -0.366 0.000 0.963 136 R CB -0.457 29.564 30.300 -0.465 0.000 0.858 136 R HN 0.380 8.650 8.270 -0.000 0.000 0.435 137 G N 0.953 109.571 108.800 -0.304 0.000 2.418 137 G HA2 -0.232 3.735 3.960 0.012 0.000 0.217 137 G HA3 -0.232 3.735 3.960 0.012 0.000 0.217 137 G C 1.243 175.934 174.900 -0.348 0.000 1.158 137 G CA 0.326 45.168 45.100 -0.430 0.000 0.771 137 G HN 0.224 8.514 8.290 -0.000 0.000 0.545 138 L N 0.703 121.728 121.223 -0.329 0.000 2.093 138 L HA 0.106 4.453 4.340 0.012 0.000 0.208 138 L C 2.666 179.288 176.870 -0.412 0.000 1.085 138 L CA 1.702 56.288 54.840 -0.423 0.000 0.755 138 L CB -0.499 41.281 42.059 -0.466 0.000 0.904 138 L HN 0.211 8.441 8.230 -0.000 0.000 0.435 139 K N -1.533 118.710 120.400 -0.261 0.000 2.032 139 K HA -0.293 4.034 4.320 0.012 0.000 0.209 139 K C 2.320 178.880 176.600 -0.066 0.000 1.048 139 K CA 2.059 58.274 56.287 -0.120 0.000 0.927 139 K CB -0.437 32.024 32.500 -0.065 0.000 0.712 139 K HN 0.346 8.596 8.250 -0.000 0.000 0.441 140 Y N 1.157 121.297 120.300 -0.268 0.000 2.181 140 Y HA -0.199 4.358 4.550 0.011 0.000 0.288 140 Y C 1.871 177.689 175.900 -0.137 0.000 1.146 140 Y CA 1.720 59.679 58.100 -0.235 0.000 1.164 140 Y CB -0.126 38.013 38.460 -0.535 0.000 0.982 140 Y HN 0.027 8.307 8.280 -0.000 0.000 0.515 141 I N -0.540 119.948 120.570 -0.135 0.000 2.202 141 I HA -0.331 3.846 4.170 0.012 0.000 0.242 141 I C 2.311 178.427 176.117 -0.002 0.000 1.091 141 I CA 1.668 62.904 61.300 -0.106 0.000 1.368 141 I CB -0.610 37.366 38.000 -0.039 0.000 1.058 141 I HN 0.294 8.504 8.210 -0.000 0.000 0.410 142 H N -0.236 118.794 119.070 -0.067 0.000 2.426 142 H HA -0.169 4.394 4.556 0.012 0.000 0.298 142 H C 2.387 177.687 175.328 -0.048 0.000 1.107 142 H CA 1.352 57.377 56.048 -0.039 0.000 1.298 142 H CB -0.006 29.743 29.762 -0.023 0.000 1.377 142 H HN 0.393 8.673 8.280 -0.000 0.000 0.519 143 S N 0.192 115.914 115.700 0.036 0.000 2.522 143 S HA 0.105 4.582 4.470 0.012 0.000 0.227 143 S C 1.861 176.445 174.600 -0.027 0.000 0.986 143 S CA 0.348 58.545 58.200 -0.005 0.000 0.929 143 S CB 0.326 63.507 63.200 -0.032 0.000 0.769 143 S HN 0.398 8.708 8.310 -0.000 0.000 0.529 144 A N 0.841 123.629 122.820 -0.053 0.000 2.345 144 A HA 0.381 4.707 4.320 0.012 0.000 0.225 144 A C 0.767 178.406 177.584 0.090 0.000 1.243 144 A CA 0.420 52.465 52.037 0.013 0.000 0.875 144 A CB -0.620 18.340 19.000 -0.066 0.000 0.929 144 A HN 0.475 8.625 8.150 -0.000 0.000 0.502 145 D N -1.364 119.071 120.400 0.058 0.000 2.945 145 D HA -0.149 4.498 4.640 0.012 0.000 0.225 145 D C -0.329 176.015 176.300 0.074 0.000 1.158 145 D CA 0.911 54.943 54.000 0.053 0.000 0.805 145 D CB -1.663 39.159 40.800 0.036 0.000 1.098 145 D HN 0.547 8.917 8.370 -0.000 0.000 0.426 146 I N 0.629 121.255 120.570 0.094 0.000 2.437 146 I HA 0.396 4.573 4.170 0.012 0.000 0.298 146 I C 0.722 176.924 176.117 0.142 0.000 0.984 146 I CA -0.864 60.498 61.300 0.103 0.000 1.214 146 I CB 1.481 39.517 38.000 0.061 0.000 1.365 146 I HN -0.070 8.140 8.210 -0.000 0.000 0.469 147 I N 4.492 125.130 120.570 0.114 0.000 2.406 147 I HA 0.186 4.363 4.170 0.012 0.000 0.290 147 I C 0.776 176.979 176.117 0.142 0.000 0.999 147 I CA -0.487 60.897 61.300 0.140 0.000 1.124 147 I CB 1.835 39.881 38.000 0.077 0.000 1.289 147 I HN 0.681 8.891 8.210 -0.000 0.000 0.441 148 H N 6.251 125.381 119.070 0.100 0.000 2.299 148 H HA -0.022 4.540 4.556 0.011 0.000 0.302 148 H C 1.109 176.446 175.328 0.016 0.000 1.078 148 H CA 2.076 58.147 56.048 0.037 0.000 1.323 148 H CB 0.288 30.054 29.762 0.007 0.000 1.381 148 H HN 0.583 8.863 8.280 -0.000 0.000 0.498 149 R N -1.437 119.185 120.500 0.203 0.000 3.953 149 R HA -0.208 4.139 4.340 0.012 0.000 0.448 149 R C -0.372 176.002 176.300 0.123 0.000 1.016 149 R CA 1.280 57.419 56.100 0.066 0.000 1.398 149 R CB -1.564 28.721 30.300 -0.024 0.000 2.021 149 R HN 0.427 8.697 8.270 -0.000 0.000 0.538 150 D N 0.254 120.857 120.400 0.339 0.000 2.908 150 D HA 0.241 4.888 4.640 0.012 0.000 0.361 150 D C -0.569 175.814 176.300 0.139 0.000 1.416 150 D CA -0.221 53.916 54.000 0.228 0.000 0.796 150 D CB 0.361 41.260 40.800 0.164 0.000 1.185 150 D HN 0.102 8.472 8.370 -0.000 0.000 0.451 151 L N 1.923 123.119 121.223 -0.046 0.000 2.462 151 L HA 0.205 4.552 4.340 0.012 0.000 0.272 151 L C 0.496 177.230 176.870 -0.227 0.000 1.166 151 L CA 0.643 55.305 54.840 -0.297 0.000 0.880 151 L CB 0.227 42.116 42.059 -0.284 0.000 1.142 151 L HN 0.160 8.390 8.230 -0.000 0.000 0.473 152 K N 2.346 122.547 120.400 -0.332 0.000 2.658 152 K HA 0.398 4.725 4.320 0.012 0.000 0.293 152 K C -2.781 173.575 176.600 -0.405 0.000 1.026 152 K CA -1.452 54.462 56.287 -0.621 0.000 0.871 152 K CB 1.074 33.220 32.500 -0.589 0.000 1.524 152 K HN -0.104 8.146 8.250 -0.000 0.000 0.400 153 P HA -0.205 4.215 4.420 -0.000 0.000 0.218 153 P C 1.095 178.351 177.300 -0.073 0.000 1.148 153 P CA 1.728 64.726 63.100 -0.170 0.000 0.822 153 P CB 0.080 31.730 31.700 -0.084 0.000 0.784 154 S N -1.695 113.978 115.700 -0.046 0.000 2.474 154 S HA -0.073 4.404 4.470 0.012 0.000 0.235 154 S C 1.332 176.016 174.600 0.140 0.000 0.997 154 S CA 0.885 59.121 58.200 0.060 0.000 0.949 154 S CB -1.298 61.938 63.200 0.061 0.000 0.766 154 S HN 0.214 8.524 8.310 -0.000 0.000 0.517 155 N N 0.618 119.332 118.700 0.023 0.000 2.279 155 N HA 0.398 5.145 4.740 0.012 0.000 0.226 155 N C -1.199 174.251 175.510 -0.099 0.000 1.126 155 N CA -0.100 52.942 53.050 -0.013 0.000 0.846 155 N CB 0.289 38.775 38.487 -0.003 0.000 1.050 155 N HN 0.356 8.736 8.380 -0.000 0.000 0.502 156 L N 0.742 121.921 121.223 -0.073 0.000 2.406 156 L HA 0.632 4.979 4.340 0.012 0.000 0.272 156 L C -0.701 176.133 176.870 -0.059 0.000 0.980 156 L CA -0.930 53.850 54.840 -0.100 0.000 0.831 156 L CB 1.876 43.860 42.059 -0.125 0.000 1.253 156 L HN -0.094 8.136 8.230 -0.000 0.000 0.406 157 A N 3.605 126.385 122.820 -0.068 0.000 2.301 157 A HA 0.841 5.168 4.320 0.012 0.000 0.312 157 A C -0.532 177.017 177.584 -0.058 0.000 1.182 157 A CA -0.458 51.557 52.037 -0.038 0.000 0.826 157 A CB 1.159 20.137 19.000 -0.036 0.000 1.134 157 A HN 0.417 8.567 8.150 -0.000 0.000 0.501 158 V N 3.918 123.807 119.914 -0.042 0.000 2.525 158 V HA 0.296 4.423 4.120 0.012 0.000 0.299 158 V C -0.192 175.881 176.094 -0.035 0.000 1.034 158 V CA -1.029 61.238 62.300 -0.055 0.000 0.863 158 V CB 1.461 33.250 31.823 -0.057 0.000 0.999 158 V HN 1.098 9.288 8.190 -0.000 0.000 0.423 159 N N 3.283 121.961 118.700 -0.037 0.000 2.374 159 N HA 0.171 4.918 4.740 0.012 0.000 0.284 159 N C 0.873 176.375 175.510 -0.013 0.000 1.280 159 N CA -0.174 52.862 53.050 -0.023 0.000 0.963 159 N CB 0.340 38.807 38.487 -0.033 0.000 1.141 159 N HN 0.719 9.099 8.380 -0.000 0.000 0.565 160 E N -1.822 118.375 120.200 -0.006 0.000 2.208 160 E HA -0.100 4.257 4.350 0.012 0.000 0.193 160 E C -0.027 176.576 176.600 0.005 0.000 0.988 160 E CA 0.921 57.320 56.400 -0.001 0.000 0.828 160 E CB -0.277 29.425 29.700 0.003 0.000 0.763 160 E HN 0.520 8.880 8.360 -0.000 0.000 0.478 161 D N 0.140 120.550 120.400 0.017 0.000 2.336 161 D HA 0.048 4.695 4.640 0.012 0.000 0.229 161 D C -0.000 176.358 176.300 0.097 0.000 1.061 161 D CA 0.156 54.183 54.000 0.046 0.000 0.875 161 D CB 0.108 40.939 40.800 0.052 0.000 0.904 161 D HN 0.181 8.551 8.370 -0.000 0.000 0.525 162 C N 1.249 120.578 119.300 0.048 0.000 4.358 162 C HA -0.189 4.278 4.460 0.012 0.000 0.287 162 C C 0.583 175.603 174.990 0.051 0.000 1.414 162 C CA 0.142 59.188 59.018 0.047 0.000 1.949 162 C CB -2.253 25.496 27.740 0.015 0.000 1.274 162 C HN 0.372 8.602 8.230 -0.000 0.000 0.793 163 E N -0.284 119.940 120.200 0.041 0.000 2.331 163 E HA 0.539 4.896 4.350 0.012 0.000 0.272 163 E C -0.055 176.464 176.600 -0.136 0.000 1.036 163 E CA -0.061 56.302 56.400 -0.061 0.000 0.864 163 E CB 0.950 30.653 29.700 0.005 0.000 1.035 163 E HN 0.581 8.941 8.360 -0.000 0.000 0.408 164 L N 2.699 123.797 121.223 -0.208 0.000 2.381 164 L HA 0.511 4.858 4.340 0.012 0.000 0.268 164 L C -1.375 175.406 176.870 -0.149 0.000 0.997 164 L CA -0.640 54.089 54.840 -0.184 0.000 0.818 164 L CB 1.050 42.964 42.059 -0.242 0.000 1.310 164 L HN 0.478 8.708 8.230 -0.000 0.000 0.416 165 K N 4.745 125.074 120.400 -0.119 0.000 2.375 165 K HA 0.555 4.882 4.320 0.012 0.000 0.249 165 K C -1.169 175.364 176.600 -0.113 0.000 0.942 165 K CA -0.852 55.373 56.287 -0.104 0.000 0.806 165 K CB 2.525 34.981 32.500 -0.074 0.000 1.227 165 K HN 0.492 8.742 8.250 -0.000 0.000 0.430 166 I N 3.534 124.038 120.570 -0.110 0.000 2.441 166 I HA 0.171 4.348 4.170 0.012 0.000 0.287 166 I C -0.089 175.988 176.117 -0.067 0.000 1.049 166 I CA -0.553 60.684 61.300 -0.106 0.000 1.381 166 I CB 0.363 38.297 38.000 -0.110 0.000 1.409 166 I HN 0.555 8.765 8.210 -0.000 0.000 0.523 167 L N 3.578 124.756 121.223 -0.075 0.000 2.251 167 L HA 0.825 5.172 4.340 0.012 0.000 0.244 167 L C -1.235 175.635 176.870 0.001 0.000 1.095 167 L CA -0.785 53.990 54.840 -0.108 0.000 0.910 167 L CB 1.467 43.349 42.059 -0.295 0.000 1.516 167 L HN 0.270 8.500 8.230 -0.000 0.000 0.429 168 D N -1.215 119.092 120.400 -0.155 0.000 2.602 168 D HA 0.415 5.062 4.640 0.012 0.000 0.245 168 D C -0.276 175.913 176.300 -0.185 0.000 1.325 168 D CA -0.378 53.557 54.000 -0.108 0.000 0.952 168 D CB 1.049 41.715 40.800 -0.224 0.000 1.317 168 D HN 0.374 8.744 8.370 -0.000 0.000 0.577 169 F N 2.625 122.577 119.950 0.002 0.000 1.994 169 F HA 0.427 4.965 4.527 0.017 0.000 0.293 169 F C 2.079 177.858 175.800 -0.035 0.000 1.276 169 F CA 1.592 59.581 58.000 -0.019 0.000 1.153 169 F CB -0.701 38.292 39.000 -0.012 0.000 0.968 169 F HN 0.584 8.884 8.300 -0.000 0.000 0.496 183 V N 0.786 120.659 119.914 -0.068 0.000 2.925 183 V HA 0.684 4.811 4.120 0.012 0.000 0.252 183 V C -0.140 175.778 176.094 -0.294 0.000 0.913 183 V CA -0.915 61.346 62.300 -0.065 0.000 0.933 183 V CB 0.057 31.903 31.823 0.038 0.000 1.039 183 V HN 2.272 10.462 8.190 -0.000 0.000 0.507 184 A N 1.884 124.166 122.820 -0.897 0.000 2.409 184 A HA 0.562 4.889 4.320 0.012 0.000 0.262 184 A C 1.373 178.699 177.584 -0.430 0.000 1.113 184 A CA 0.427 51.969 52.037 -0.824 0.000 0.790 184 A CB 0.687 18.921 19.000 -1.277 0.000 1.046 184 A HN 0.724 8.874 8.150 -0.000 0.000 0.496 185 T N 1.426 115.886 114.554 -0.157 0.000 2.803 185 T HA -0.187 4.170 4.350 0.012 0.000 0.269 185 T C 2.069 176.819 174.700 0.083 0.000 1.052 185 T CA 2.001 64.124 62.100 0.039 0.000 1.136 185 T CB -0.279 68.609 68.868 0.032 0.000 0.864 185 T HN 0.851 9.091 8.240 -0.000 0.000 0.467 186 R N -0.026 120.440 120.500 -0.057 0.000 2.092 186 R HA -0.091 4.256 4.340 0.012 0.000 0.231 186 R C 1.846 178.216 176.300 0.117 0.000 1.119 186 R CA 1.395 57.477 56.100 -0.029 0.000 0.970 186 R CB -0.738 29.532 30.300 -0.050 0.000 0.864 186 R HN 0.356 8.626 8.270 -0.000 0.000 0.440 187 W N 0.657 121.948 121.300 -0.016 0.000 2.359 187 W HA -0.131 4.532 4.660 0.005 0.000 0.275 187 W C 0.828 177.167 176.519 -0.299 0.000 1.217 187 W CA 0.489 57.696 57.345 -0.231 0.000 1.196 187 W CB -0.697 28.453 29.460 -0.518 0.000 1.129 187 W HN 0.231 8.411 8.180 -0.000 0.000 0.566 188 Y N -1.155 119.366 120.300 0.369 0.000 2.481 188 Y HA 0.286 4.842 4.550 0.010 0.000 0.247 188 Y C 1.219 177.340 175.900 0.367 0.000 1.151 188 Y CA -0.646 57.657 58.100 0.338 0.000 1.238 188 Y CB -0.191 38.393 38.460 0.206 0.000 1.179 188 Y HN -0.447 7.833 8.280 -0.000 0.000 0.524 189 R N 1.878 122.574 120.500 0.326 0.000 2.347 189 R HA 0.431 4.777 4.340 0.012 0.000 0.304 189 R C 0.334 176.565 176.300 -0.116 0.000 1.072 189 R CA -0.206 55.955 56.100 0.101 0.000 0.980 189 R CB 0.796 31.063 30.300 -0.056 0.000 0.986 189 R HN 0.228 8.498 8.270 -0.000 0.000 0.448 190 A N 6.213 128.823 122.820 -0.351 0.000 2.561 190 A HA 0.065 4.392 4.320 0.012 0.000 0.234 190 A C -1.044 176.061 177.584 -0.799 0.000 1.055 190 A CA -0.790 50.651 52.037 -0.994 0.000 0.756 190 A CB -0.012 18.637 19.000 -0.587 0.000 0.986 190 A HN 0.509 8.659 8.150 -0.000 0.000 0.505 191 P HA -0.216 4.204 4.420 -0.000 0.000 0.217 191 P C 1.060 178.108 177.300 -0.420 0.000 1.150 191 P CA 1.599 64.344 63.100 -0.591 0.000 0.832 191 P CB -0.041 31.307 31.700 -0.585 0.000 0.787 192 E N 0.324 120.197 120.200 -0.546 0.000 2.333 192 E HA -0.134 4.223 4.350 0.012 0.000 0.198 192 E C 1.948 178.378 176.600 -0.283 0.000 1.007 192 E CA 0.874 56.877 56.400 -0.662 0.000 0.845 192 E CB -0.875 28.140 29.700 -1.142 0.000 0.766 192 E HN 0.331 8.691 8.360 -0.000 0.000 0.507 193 I N 0.189 120.617 120.570 -0.236 0.000 2.703 193 I HA -0.066 4.111 4.170 0.012 0.000 0.259 193 I C 2.466 178.595 176.117 0.021 0.000 1.151 193 I CA 0.554 61.815 61.300 -0.065 0.000 1.470 193 I CB -0.042 37.827 38.000 -0.220 0.000 1.112 193 I HN 0.030 8.240 8.210 -0.000 0.000 0.437 194 M N 0.127 119.683 119.600 -0.074 0.000 2.514 194 M HA 0.070 4.557 4.480 0.012 0.000 0.258 194 M C 1.086 177.439 176.300 0.089 0.000 1.119 194 M CA 0.662 55.950 55.300 -0.020 0.000 1.111 194 M CB 0.183 32.629 32.600 -0.257 0.000 1.390 194 M HN 0.086 8.376 8.290 -0.000 0.000 0.475 195 L N -0.399 120.868 121.223 0.072 0.000 2.739 195 L HA 0.128 4.475 4.340 0.012 0.000 0.175 195 L C 0.515 177.489 176.870 0.174 0.000 1.140 195 L CA -0.107 54.792 54.840 0.098 0.000 1.033 195 L CB -0.183 41.989 42.059 0.188 0.000 1.834 195 L HN 0.193 8.423 8.230 -0.000 0.000 0.498 196 N N -1.389 117.415 118.700 0.173 0.000 2.314 196 N HA 0.162 4.909 4.740 0.012 0.000 0.304 196 N C -0.338 175.343 175.510 0.285 0.000 1.073 196 N CA -0.618 52.533 53.050 0.168 0.000 0.822 196 N CB 2.125 40.621 38.487 0.015 0.000 1.280 196 N HN 0.479 8.859 8.380 -0.000 0.000 0.489 197 W N 2.282 123.581 121.300 -0.003 0.000 3.384 197 W HA 0.185 4.853 4.660 0.012 0.000 0.263 197 W C 0.983 177.392 176.519 -0.184 0.000 1.151 197 W CA 0.078 57.397 57.345 -0.043 0.000 2.176 197 W CB 0.089 29.585 29.460 0.059 0.000 1.303 197 W HN 0.466 8.646 8.180 -0.000 0.000 0.543 198 M N 0.119 119.587 119.600 -0.221 0.000 1.675 198 M HA -0.006 4.481 4.480 0.012 0.000 0.143 198 M C -0.254 175.949 176.300 -0.161 0.000 1.189 198 M CA 0.949 56.071 55.300 -0.298 0.000 0.675 198 M CB -0.396 31.869 32.600 -0.558 0.000 0.986 198 M HN 0.181 8.471 8.290 -0.000 0.000 0.353 199 H N -2.316 116.763 119.070 0.014 0.000 3.167 199 H HA -0.090 4.473 4.556 0.012 0.000 0.296 199 H C -1.651 173.838 175.328 0.268 0.000 1.332 199 H CA -0.312 55.854 56.048 0.196 0.000 1.221 199 H CB -2.683 27.272 29.762 0.322 0.000 1.325 199 H HN 0.432 8.712 8.280 -0.000 0.000 0.422 200 Y N 1.965 122.352 120.300 0.145 0.000 2.511 200 Y HA 0.122 4.680 4.550 0.012 0.000 0.332 200 Y C 1.693 177.589 175.900 -0.007 0.000 1.177 200 Y CA -0.294 57.804 58.100 -0.003 0.000 1.422 200 Y CB 0.433 38.887 38.460 -0.010 0.000 1.271 200 Y HN 0.455 8.735 8.280 -0.000 0.000 0.550 201 N N 1.927 120.683 118.700 0.093 0.000 2.502 201 N HA 0.113 4.860 4.740 0.012 0.000 0.280 201 N C 0.302 175.781 175.510 -0.052 0.000 1.223 201 N CA -0.537 52.524 53.050 0.018 0.000 0.966 201 N CB 0.754 39.234 38.487 -0.011 0.000 1.203 201 N HN 0.632 9.012 8.380 -0.000 0.000 0.565 202 Q N -0.872 118.840 119.800 -0.147 0.000 2.226 202 Q HA -0.105 4.242 4.340 0.012 0.000 0.204 202 Q C 1.100 176.971 176.000 -0.215 0.000 0.975 202 Q CA 2.016 57.605 55.803 -0.357 0.000 0.866 202 Q CB -0.326 27.982 28.738 -0.716 0.000 0.915 202 Q HN 0.895 9.165 8.270 -0.000 0.000 0.440 203 T N -2.012 112.493 114.554 -0.081 0.000 3.215 203 T HA 0.026 4.383 4.350 0.012 0.000 0.254 203 T C 1.720 176.452 174.700 0.053 0.000 1.149 203 T CA 0.566 62.684 62.100 0.031 0.000 1.042 203 T CB -0.387 68.505 68.868 0.041 0.000 0.966 203 T HN 0.217 8.457 8.240 -0.000 0.000 0.534 204 V N -0.875 119.028 119.914 -0.018 0.000 2.594 204 V HA -0.099 4.028 4.120 0.012 0.000 0.253 204 V C 2.029 178.176 176.094 0.089 0.000 1.069 204 V CA 1.756 64.034 62.300 -0.037 0.000 1.082 204 V CB -0.676 31.028 31.823 -0.197 0.000 0.680 204 V HN 0.275 8.465 8.190 -0.000 0.000 0.469 205 D N 0.370 120.844 120.400 0.123 0.000 2.183 205 D HA 0.044 4.691 4.640 0.012 0.000 0.205 205 D C 2.224 178.610 176.300 0.143 0.000 0.962 205 D CA 1.039 55.134 54.000 0.159 0.000 0.849 205 D CB -0.061 40.906 40.800 0.279 0.000 0.978 205 D HN 0.378 8.748 8.370 -0.000 0.000 0.488 206 I N 0.666 121.337 120.570 0.168 0.000 2.208 206 I HA -0.253 3.924 4.170 0.012 0.000 0.245 206 I C 2.394 178.600 176.117 0.147 0.000 1.097 206 I CA 0.862 62.238 61.300 0.126 0.000 1.363 206 I CB -1.026 37.048 38.000 0.123 0.000 1.051 206 I HN 0.308 8.518 8.210 -0.000 0.000 0.413 207 W N 2.279 123.601 121.300 0.038 0.000 2.318 207 W HA -0.276 4.391 4.660 0.011 0.000 0.313 207 W C 2.597 179.179 176.519 0.106 0.000 1.221 207 W CA 2.186 59.570 57.345 0.065 0.000 1.266 207 W CB -0.263 29.219 29.460 0.037 0.000 1.150 207 W HN 0.142 8.322 8.180 -0.000 0.000 0.496 208 S N 0.870 116.751 115.700 0.300 0.000 2.348 208 S HA -0.209 4.268 4.470 0.012 0.000 0.221 208 S C 1.867 176.525 174.600 0.096 0.000 1.033 208 S CA 1.900 60.245 58.200 0.242 0.000 1.010 208 S CB -1.053 62.256 63.200 0.182 0.000 0.891 208 S HN 0.139 8.449 8.310 -0.000 0.000 0.442 209 V N 2.201 122.131 119.914 0.026 0.000 2.278 209 V HA -0.251 3.876 4.120 0.012 0.000 0.251 209 V C 2.697 178.764 176.094 -0.045 0.000 1.062 209 V CA 2.087 64.372 62.300 -0.024 0.000 1.038 209 V CB -1.787 30.015 31.823 -0.035 0.000 0.646 209 V HN 0.608 8.798 8.190 -0.000 0.000 0.447 210 G N -1.181 107.564 108.800 -0.092 0.000 2.476 210 G HA2 -0.317 3.650 3.960 0.012 0.000 0.218 210 G HA3 -0.317 3.650 3.960 0.012 0.000 0.218 210 G C 1.728 176.506 174.900 -0.204 0.000 1.164 210 G CA 1.474 46.463 45.100 -0.186 0.000 0.768 210 G HN 0.553 8.843 8.290 -0.000 0.000 0.560 211 C N 0.207 119.400 119.300 -0.179 0.000 2.429 211 C HA 0.065 4.532 4.460 0.012 0.000 0.277 211 C C 2.879 177.914 174.990 0.076 0.000 1.262 211 C CA 0.536 59.507 59.018 -0.079 0.000 1.733 211 C CB -0.997 26.804 27.740 0.101 0.000 2.010 211 C HN 0.480 8.710 8.230 -0.000 0.000 0.483 212 I N 0.359 121.012 120.570 0.137 0.000 2.202 212 I HA -0.273 3.904 4.170 0.012 0.000 0.242 212 I C 2.668 178.799 176.117 0.024 0.000 1.091 212 I CA 1.690 63.054 61.300 0.106 0.000 1.368 212 I CB -0.507 37.496 38.000 0.005 0.000 1.058 212 I HN 0.359 8.569 8.210 -0.000 0.000 0.410 213 M N 0.914 120.498 119.600 -0.027 0.000 2.065 213 M HA -0.264 4.223 4.480 0.012 0.000 0.259 213 M C 2.493 178.723 176.300 -0.116 0.000 1.069 213 M CA 2.383 57.651 55.300 -0.054 0.000 1.110 213 M CB -0.191 32.364 32.600 -0.076 0.000 1.328 213 M HN 0.282 8.572 8.290 -0.000 0.000 0.405 214 A N 0.155 122.854 122.820 -0.203 0.000 1.892 214 A HA -0.301 4.026 4.320 0.012 0.000 0.218 214 A C 1.954 179.519 177.584 -0.033 0.000 1.188 214 A CA 2.331 54.237 52.037 -0.218 0.000 0.631 214 A CB -1.186 17.685 19.000 -0.215 0.000 0.822 214 A HN 0.757 8.907 8.150 -0.000 0.000 0.447 215 E N -0.260 119.931 120.200 -0.015 0.000 2.118 215 E HA -0.182 4.175 4.350 0.012 0.000 0.195 215 E C 1.920 178.543 176.600 0.037 0.000 0.992 215 E CA 1.165 57.579 56.400 0.023 0.000 0.804 215 E CB -0.227 29.520 29.700 0.080 0.000 0.741 215 E HN 0.651 9.011 8.360 -0.000 0.000 0.458 216 L N 0.384 121.629 121.223 0.037 0.000 2.131 216 L HA -0.186 4.161 4.340 0.012 0.000 0.210 216 L C 2.475 179.376 176.870 0.052 0.000 1.092 216 L CA 0.765 55.636 54.840 0.052 0.000 0.759 216 L CB -0.290 41.806 42.059 0.063 0.000 0.903 216 L HN 0.286 8.516 8.230 -0.000 0.000 0.435 217 L N -1.316 119.926 121.223 0.030 0.000 2.131 217 L HA -0.102 4.245 4.340 0.012 0.000 0.206 217 L C 2.331 179.235 176.870 0.056 0.000 1.087 217 L CA 1.108 55.970 54.840 0.037 0.000 0.767 217 L CB -0.349 41.702 42.059 -0.013 0.000 0.917 217 L HN 0.138 8.368 8.230 -0.000 0.000 0.441 218 T N -1.436 113.154 114.554 0.060 0.000 3.040 218 T HA 0.142 4.499 4.350 0.012 0.000 0.252 218 T C 1.308 176.018 174.700 0.017 0.000 1.064 218 T CA 0.798 62.929 62.100 0.051 0.000 1.110 218 T CB 0.436 69.345 68.868 0.068 0.000 0.921 218 T HN 0.538 8.778 8.240 -0.000 0.000 0.480 219 G N 2.260 111.073 108.800 0.022 0.000 2.162 219 G HA2 -0.237 3.730 3.960 0.012 0.000 0.260 219 G HA3 -0.237 3.730 3.960 0.012 0.000 0.260 219 G C 0.108 175.006 174.900 -0.003 0.000 0.976 219 G CA -0.050 45.060 45.100 0.017 0.000 0.655 219 G HN 0.487 8.777 8.290 -0.000 0.000 0.533 220 R N -0.295 120.191 120.500 -0.023 0.000 2.744 220 R HA 0.505 4.852 4.340 0.012 0.000 0.279 220 R C -0.479 175.763 176.300 -0.096 0.000 0.977 220 R CA -0.659 55.402 56.100 -0.065 0.000 0.906 220 R CB 1.018 31.261 30.300 -0.095 0.000 1.197 220 R HN 0.104 8.374 8.270 -0.000 0.000 0.463 221 T N 2.774 117.238 114.554 -0.151 0.000 2.831 221 T HA -0.039 4.318 4.350 0.012 0.000 0.291 221 T C 1.462 175.979 174.700 -0.306 0.000 0.981 221 T CA 0.026 61.982 62.100 -0.240 0.000 1.174 221 T CB 0.283 68.872 68.868 -0.466 0.000 0.929 221 T HN 0.345 8.585 8.240 -0.000 0.000 0.532 222 L N 3.904 124.919 121.223 -0.347 0.000 2.093 222 L HA 0.221 4.568 4.340 0.012 0.000 0.208 222 L C 0.386 176.827 176.870 -0.716 0.000 1.085 222 L CA 1.694 56.187 54.840 -0.578 0.000 0.755 222 L CB -0.176 41.440 42.059 -0.739 0.000 0.904 222 L HN 0.706 8.936 8.230 -0.000 0.000 0.435 223 F N 0.152 119.977 119.950 -0.208 0.000 2.710 223 F HA 0.345 4.879 4.527 0.012 0.000 0.345 223 F C -1.980 173.624 175.800 -0.326 0.000 1.362 223 F CA -1.442 56.458 58.000 -0.167 0.000 1.175 223 F CB 0.691 39.681 39.000 -0.016 0.000 1.561 223 F HN -0.041 8.259 8.300 -0.000 0.000 0.593 224 P HA 0.094 4.514 4.420 -0.000 0.000 0.235 224 P C 0.889 177.954 177.300 -0.392 0.000 1.725 224 P CA 0.134 62.708 63.100 -0.876 0.000 0.894 224 P CB -0.108 31.159 31.700 -0.721 0.000 1.704 225 G N 0.117 108.902 108.800 -0.024 0.000 2.469 225 G HA2 -0.138 3.829 3.960 0.012 0.000 0.229 225 G HA3 -0.138 3.829 3.960 0.012 0.000 0.229 225 G C 1.120 176.200 174.900 0.301 0.000 1.222 225 G CA 0.194 45.403 45.100 0.180 0.000 0.861 225 G HN 0.223 8.513 8.290 -0.000 0.000 0.538 226 T N 0.228 114.904 114.554 0.203 0.000 3.054 226 T HA 0.159 4.516 4.350 0.012 0.000 0.259 226 T C 0.541 175.364 174.700 0.206 0.000 1.092 226 T CA 1.486 63.709 62.100 0.205 0.000 1.121 226 T CB -0.283 68.661 68.868 0.126 0.000 0.912 226 T HN 0.896 9.136 8.240 -0.000 0.000 0.489 227 D N -2.257 118.268 120.400 0.208 0.000 2.851 227 D HA 0.248 4.895 4.640 0.012 0.000 0.339 227 D C 0.128 176.595 176.300 0.278 0.000 1.347 227 D CA -0.666 53.469 54.000 0.225 0.000 0.888 227 D CB 0.006 40.894 40.800 0.146 0.000 1.431 227 D HN -0.173 8.197 8.370 -0.000 0.000 0.509 228 H N -0.671 118.444 119.070 0.076 0.000 2.421 228 H HA 0.135 4.697 4.556 0.011 0.000 0.298 228 H C 1.489 176.859 175.328 0.069 0.000 1.087 228 H CA 1.317 57.403 56.048 0.064 0.000 1.330 228 H CB -0.202 29.586 29.762 0.043 0.000 1.388 228 H HN 0.338 8.618 8.280 -0.000 0.000 0.526 229 I N -0.373 120.320 120.570 0.205 0.000 2.235 229 I HA -0.195 3.982 4.170 0.012 0.000 0.241 229 I C 2.165 178.351 176.117 0.115 0.000 1.085 229 I CA 1.559 62.958 61.300 0.164 0.000 1.378 229 I CB -0.125 37.967 38.000 0.153 0.000 1.076 229 I HN 0.162 8.372 8.210 -0.000 0.000 0.415 230 D N 0.277 120.741 120.400 0.107 0.000 2.178 230 D HA -0.270 4.377 4.640 0.012 0.000 0.201 230 D C 2.081 178.427 176.300 0.076 0.000 0.980 230 D CA 1.141 55.191 54.000 0.083 0.000 0.842 230 D CB 0.124 40.979 40.800 0.091 0.000 0.948 230 D HN 0.140 8.510 8.370 -0.000 0.000 0.472 231 Q N -0.382 119.473 119.800 0.092 0.000 2.050 231 Q HA -0.097 4.250 4.340 0.012 0.000 0.202 231 Q C 1.863 177.846 176.000 -0.029 0.000 0.980 231 Q CA 1.081 56.920 55.803 0.060 0.000 0.840 231 Q CB -0.442 28.325 28.738 0.049 0.000 0.898 231 Q HN 0.297 8.567 8.270 -0.000 0.000 0.424 232 L N 0.319 121.532 121.223 -0.017 0.000 2.240 232 L HA -0.031 4.316 4.340 0.012 0.000 0.211 232 L C 1.738 178.587 176.870 -0.036 0.000 1.106 232 L CA 1.606 56.415 54.840 -0.053 0.000 0.793 232 L CB -0.678 41.385 42.059 0.007 0.000 0.927 232 L HN 0.269 8.499 8.230 -0.000 0.000 0.446 233 K N -0.519 119.884 120.400 0.006 0.000 2.026 233 K HA -0.172 4.155 4.320 0.012 0.000 0.208 233 K C 2.064 178.663 176.600 -0.002 0.000 1.048 233 K CA 1.198 57.491 56.287 0.011 0.000 0.929 233 K CB -0.206 32.309 32.500 0.026 0.000 0.713 233 K HN 0.263 8.513 8.250 -0.000 0.000 0.439 234 L N 0.951 122.174 121.223 -0.001 0.000 2.046 234 L HA -0.193 4.154 4.340 0.012 0.000 0.208 234 L C 2.399 179.239 176.870 -0.051 0.000 1.077 234 L CA 1.132 56.000 54.840 0.047 0.000 0.747 234 L CB -0.423 41.718 42.059 0.136 0.000 0.896 234 L HN 0.174 8.404 8.230 -0.000 0.000 0.432 235 I N -0.373 119.979 120.570 -0.364 0.000 2.226 235 I HA -0.318 3.859 4.170 0.012 0.000 0.245 235 I C 2.388 178.434 176.117 -0.118 0.000 1.100 235 I CA 1.413 62.354 61.300 -0.599 0.000 1.374 235 I CB -0.248 37.452 38.000 -0.500 0.000 1.057 235 I HN 0.234 8.444 8.210 -0.000 0.000 0.413 236 L N 0.083 121.276 121.223 -0.050 0.000 2.046 236 L HA -0.183 4.164 4.340 0.012 0.000 0.208 236 L C 2.729 179.633 176.870 0.057 0.000 1.077 236 L CA 1.235 56.088 54.840 0.021 0.000 0.747 236 L CB -0.669 41.400 42.059 0.018 0.000 0.896 236 L HN 0.151 8.381 8.230 -0.000 0.000 0.432 237 R N -0.069 120.463 120.500 0.052 0.000 2.133 237 R HA -0.252 4.095 4.340 0.012 0.000 0.245 237 R C 2.262 178.607 176.300 0.075 0.000 1.137 237 R CA 1.884 58.017 56.100 0.056 0.000 0.947 237 R CB -0.716 29.614 30.300 0.051 0.000 0.865 237 R HN 0.235 8.505 8.270 -0.000 0.000 0.437 238 L N 0.277 121.575 121.223 0.125 0.000 2.068 238 L HA -0.093 4.254 4.340 0.012 0.000 0.204 238 L C 2.126 179.111 176.870 0.192 0.000 1.076 238 L CA 1.102 56.006 54.840 0.106 0.000 0.753 238 L CB 0.122 42.275 42.059 0.157 0.000 0.910 238 L HN 0.085 8.315 8.230 -0.000 0.000 0.439 239 V N -3.045 117.022 119.914 0.254 0.000 3.506 239 V HA 0.563 4.690 4.120 0.012 0.000 0.263 239 V C 1.002 177.216 176.094 0.200 0.000 1.203 239 V CA 0.170 62.656 62.300 0.309 0.000 1.133 239 V CB -1.161 30.882 31.823 0.368 0.000 0.802 239 V HN 0.525 8.715 8.190 -0.000 0.000 0.459 240 G N 0.929 109.815 108.800 0.143 0.000 2.592 240 G HA2 0.031 3.998 3.960 0.012 0.000 0.684 240 G HA3 0.031 3.998 3.960 0.012 0.000 0.684 240 G C -0.249 174.698 174.900 0.078 0.000 1.291 240 G CA -0.292 44.867 45.100 0.099 0.000 0.891 240 G HN 1.153 9.443 8.290 -0.000 0.000 0.544 241 T N 0.035 114.626 114.554 0.061 0.000 2.913 241 T HA 0.715 5.072 4.350 0.012 0.000 0.287 241 T C -1.926 172.807 174.700 0.056 0.000 1.008 241 T CA -0.799 61.333 62.100 0.053 0.000 1.067 241 T CB 1.699 70.594 68.868 0.045 0.000 0.996 241 T HN 0.668 8.908 8.240 -0.000 0.000 0.513 242 P HA 0.282 4.702 4.420 -0.000 0.000 0.269 242 P C 0.520 177.850 177.300 0.050 0.000 1.209 242 P CA -0.157 62.976 63.100 0.054 0.000 0.776 242 P CB 0.220 31.953 31.700 0.055 0.000 0.876 243 G N 0.432 109.261 108.800 0.048 0.000 2.557 243 G HA2 0.373 4.340 3.960 0.012 0.000 0.292 243 G HA3 0.373 4.340 3.960 0.012 0.000 0.292 243 G C 1.118 176.042 174.900 0.040 0.000 1.237 243 G CA -0.073 45.051 45.100 0.042 0.000 0.978 243 G HN 0.474 8.764 8.290 -0.000 0.000 0.498 244 A N -1.017 121.824 122.820 0.035 0.000 1.972 244 A HA -0.045 4.282 4.320 0.012 0.000 0.219 244 A C 2.020 179.624 177.584 0.034 0.000 1.169 244 A CA 1.916 53.973 52.037 0.033 0.000 0.635 244 A CB -0.342 18.674 19.000 0.027 0.000 0.810 244 A HN 0.656 8.806 8.150 -0.000 0.000 0.446 245 E N -0.198 120.022 120.200 0.033 0.000 2.204 245 E HA -0.112 4.245 4.350 0.012 0.000 0.194 245 E C 1.730 178.354 176.600 0.039 0.000 0.989 245 E CA 0.679 57.098 56.400 0.032 0.000 0.824 245 E CB -0.111 29.606 29.700 0.029 0.000 0.756 245 E HN 0.621 8.981 8.360 -0.000 0.000 0.477 246 L N 0.343 121.593 121.223 0.045 0.000 2.249 246 L HA 0.026 4.373 4.340 0.012 0.000 0.207 246 L C 2.278 179.188 176.870 0.067 0.000 1.090 246 L CA 0.344 55.217 54.840 0.055 0.000 0.802 246 L CB -0.120 41.970 42.059 0.052 0.000 0.947 246 L HN 0.168 8.398 8.230 -0.000 0.000 0.453 247 L N 0.024 121.282 121.223 0.058 0.000 2.201 247 L HA -0.217 4.130 4.340 0.012 0.000 0.212 247 L C 2.498 179.399 176.870 0.051 0.000 1.105 247 L CA 0.972 55.847 54.840 0.059 0.000 0.775 247 L CB -0.328 41.760 42.059 0.049 0.000 0.913 247 L HN 0.225 8.455 8.230 -0.000 0.000 0.440 248 K N 0.350 120.776 120.400 0.044 0.000 2.103 248 K HA -0.206 4.121 4.320 0.012 0.000 0.207 248 K C 1.782 178.407 176.600 0.042 0.000 1.048 248 K CA 1.453 57.761 56.287 0.036 0.000 0.930 248 K CB 0.002 32.521 32.500 0.032 0.000 0.716 248 K HN 0.302 8.552 8.250 -0.000 0.000 0.444 249 K N 0.157 120.595 120.400 0.063 0.000 2.444 249 K HA 0.132 4.459 4.320 0.012 0.000 0.193 249 K C 0.187 176.851 176.600 0.108 0.000 1.024 249 K CA 0.098 56.434 56.287 0.082 0.000 1.077 249 K CB 0.367 32.927 32.500 0.100 0.000 0.833 249 K HN 0.071 8.321 8.250 -0.000 0.000 0.517 250 I N 1.418 122.045 120.570 0.094 0.000 2.337 250 I HA -0.040 4.137 4.170 0.012 0.000 0.291 250 I C 1.496 177.604 176.117 -0.015 0.000 1.046 250 I CA -0.203 61.142 61.300 0.075 0.000 1.324 250 I CB 1.540 39.603 38.000 0.105 0.000 1.409 250 I HN 0.059 8.269 8.210 -0.000 0.000 0.494 251 S N 4.353 119.997 115.700 -0.094 0.000 2.336 251 S HA -0.091 4.386 4.470 0.012 0.000 0.216 251 S C 1.264 175.797 174.600 -0.113 0.000 1.032 251 S CA 0.689 58.825 58.200 -0.107 0.000 0.973 251 S CB 0.064 63.177 63.200 -0.145 0.000 0.888 251 S HN 0.665 8.975 8.310 -0.000 0.000 0.455 252 S N 0.991 116.586 115.700 -0.175 0.000 2.549 252 S HA 0.095 4.572 4.470 0.012 0.000 0.286 252 S C 0.929 175.483 174.600 -0.078 0.000 1.314 252 S CA -0.025 58.089 58.200 -0.143 0.000 1.062 252 S CB 0.778 63.858 63.200 -0.200 0.000 0.865 252 S HN 0.524 8.834 8.310 -0.000 0.000 0.498 253 E N 3.121 123.289 120.200 -0.053 0.000 2.118 253 E HA -0.059 4.298 4.350 0.012 0.000 0.195 253 E C 0.281 176.881 176.600 0.001 0.000 0.992 253 E CA 1.339 57.726 56.400 -0.021 0.000 0.804 253 E CB 0.080 29.770 29.700 -0.017 0.000 0.741 253 E HN 0.520 8.880 8.360 -0.000 0.000 0.458 254 S N -2.033 113.664 115.700 -0.004 0.000 2.357 254 S HA 0.566 5.043 4.470 0.012 0.000 0.209 254 S C 0.305 174.893 174.600 -0.019 0.000 0.981 254 S CA 0.100 58.323 58.200 0.038 0.000 1.106 254 S CB -0.286 62.963 63.200 0.082 0.000 1.266 254 S HN 0.424 8.734 8.310 -0.000 0.000 0.410 255 A N 5.088 127.858 122.820 -0.083 0.000 2.640 255 A HA -0.380 3.947 4.320 0.012 0.000 0.338 255 A C 1.869 179.485 177.584 0.053 0.000 4.514 255 A CA 2.751 54.759 52.037 -0.048 0.000 0.984 255 A CB -1.584 17.354 19.000 -0.104 0.000 0.893 255 A HN 0.827 8.977 8.150 -0.000 0.000 0.482 256 R N -0.170 120.356 120.500 0.044 0.000 2.115 256 R HA -0.050 4.297 4.340 0.012 0.000 0.230 256 R C 1.382 177.738 176.300 0.093 0.000 1.111 256 R CA 1.424 57.564 56.100 0.067 0.000 0.976 256 R CB -0.369 29.954 30.300 0.039 0.000 0.870 256 R HN 0.827 9.097 8.270 -0.000 0.000 0.445 257 N N -0.610 118.153 118.700 0.105 0.000 2.421 257 N HA -0.068 4.678 4.740 0.012 0.000 0.201 257 N C 0.121 175.732 175.510 0.168 0.000 1.198 257 N CA 0.046 53.161 53.050 0.108 0.000 0.838 257 N CB 0.290 38.825 38.487 0.081 0.000 1.011 257 N HN 0.196 8.576 8.380 -0.000 0.000 0.463 258 Y N 0.115 120.425 120.300 0.017 0.000 2.472 258 Y HA 0.273 4.830 4.550 0.011 0.000 0.288 258 Y C 1.804 177.717 175.900 0.022 0.000 1.154 258 Y CA 0.168 58.281 58.100 0.021 0.000 1.238 258 Y CB 0.224 38.700 38.460 0.028 0.000 1.287 258 Y HN -0.014 8.266 8.280 -0.000 0.000 0.524 259 I N -0.157 120.537 120.570 0.207 0.000 2.286 259 I HA -0.277 3.900 4.170 0.012 0.000 0.245 259 I C 1.712 177.874 176.117 0.075 0.000 1.104 259 I CA 1.517 62.893 61.300 0.127 0.000 1.397 259 I CB -0.264 37.806 38.000 0.117 0.000 1.072 259 I HN 0.302 8.512 8.210 -0.000 0.000 0.417 260 Q N -0.325 119.515 119.800 0.067 0.000 2.354 260 Q HA 0.020 4.366 4.340 0.012 0.000 0.203 260 Q C 2.071 178.086 176.000 0.025 0.000 0.933 260 Q CA 0.634 56.463 55.803 0.042 0.000 0.901 260 Q CB 0.264 29.026 28.738 0.040 0.000 1.007 260 Q HN 0.296 8.566 8.270 -0.000 0.000 0.495 261 S N 0.391 116.102 115.700 0.019 0.000 2.603 261 S HA 0.058 4.535 4.470 0.012 0.000 0.220 261 S C 0.064 174.643 174.600 -0.035 0.000 0.967 261 S CA 0.245 58.436 58.200 -0.015 0.000 0.920 261 S CB 0.170 63.347 63.200 -0.038 0.000 0.773 261 S HN 0.086 8.396 8.310 -0.000 0.000 0.529 262 L N 2.566 123.778 121.223 -0.017 0.000 2.287 262 L HA 0.321 4.668 4.340 0.012 0.000 0.287 262 L C 0.272 177.142 176.870 -0.000 0.000 1.022 262 L CA -0.042 54.786 54.840 -0.020 0.000 0.814 262 L CB 0.778 42.826 42.059 -0.019 0.000 1.217 262 L HN -0.066 8.164 8.230 -0.000 0.000 0.420 263 T N 2.556 117.108 114.554 -0.005 0.000 2.657 263 T HA -0.174 4.182 4.350 0.012 0.000 0.245 263 T C 0.318 175.026 174.700 0.012 0.000 1.021 263 T CA 0.354 62.456 62.100 0.003 0.000 1.155 263 T CB -0.247 68.621 68.868 -0.000 0.000 1.022 263 T HN 0.631 8.871 8.240 -0.000 0.000 0.477 264 Q N 3.540 123.349 119.800 0.016 0.000 2.286 264 Q HA 0.143 4.490 4.340 0.012 0.000 0.290 264 Q C -0.482 175.532 176.000 0.024 0.000 1.049 264 Q CA 0.454 56.270 55.803 0.023 0.000 0.923 264 Q CB 0.307 29.059 28.738 0.023 0.000 1.183 264 Q HN 0.580 8.850 8.270 -0.000 0.000 0.383 265 M N 5.704 125.324 119.600 0.032 0.000 2.383 265 M HA 0.441 4.928 4.480 0.012 0.000 0.325 265 M C -2.267 174.060 176.300 0.045 0.000 1.092 265 M CA -2.279 53.042 55.300 0.035 0.000 0.961 265 M CB 1.795 34.418 32.600 0.038 0.000 1.672 265 M HN 0.531 8.821 8.290 -0.000 0.000 0.438 266 P HA 0.093 4.513 4.420 -0.000 0.000 0.275 266 P C -0.872 176.472 177.300 0.073 0.000 1.227 266 P CA -0.381 62.751 63.100 0.052 0.000 0.781 266 P CB 0.517 32.242 31.700 0.042 0.000 0.906 267 K N 4.778 125.234 120.400 0.093 0.000 2.363 267 K HA 0.125 4.452 4.320 0.012 0.000 0.289 267 K C 0.145 176.834 176.600 0.150 0.000 1.063 267 K CA 0.047 56.419 56.287 0.141 0.000 0.967 267 K CB -0.073 32.514 32.500 0.145 0.000 0.987 267 K HN 0.499 8.749 8.250 -0.000 0.000 0.473 268 M N 2.651 122.342 119.600 0.151 0.000 2.219 268 M HA -0.049 4.438 4.480 0.012 0.000 0.307 268 M C 0.889 177.310 176.300 0.200 0.000 1.116 268 M CA 0.257 55.622 55.300 0.109 0.000 1.181 268 M CB 0.109 32.714 32.600 0.009 0.000 1.410 268 M HN 0.501 8.791 8.290 -0.000 0.000 0.454 269 N N 1.068 119.849 118.700 0.134 0.000 2.420 269 N HA 0.085 4.832 4.740 0.012 0.000 0.262 269 N C 0.065 175.709 175.510 0.223 0.000 1.144 269 N CA 0.292 53.448 53.050 0.177 0.000 0.952 269 N CB 0.428 38.971 38.487 0.093 0.000 1.081 269 N HN 0.512 8.892 8.380 -0.000 0.000 0.480 270 F N 2.287 122.279 119.950 0.070 0.000 2.134 270 F HA -0.186 4.348 4.527 0.012 0.000 0.299 270 F C 2.364 178.253 175.800 0.148 0.000 1.097 270 F CA 1.099 59.193 58.000 0.157 0.000 1.264 270 F CB 0.024 39.143 39.000 0.199 0.000 1.001 270 F HN 0.643 8.943 8.300 -0.000 0.000 0.479 271 A N 0.518 123.502 122.820 0.274 0.000 1.958 271 A HA -0.292 4.035 4.320 0.012 0.000 0.221 271 A C 1.838 179.473 177.584 0.085 0.000 1.178 271 A CA 2.419 54.550 52.037 0.158 0.000 0.642 271 A CB -0.875 18.187 19.000 0.103 0.000 0.816 271 A HN 0.399 8.549 8.150 -0.000 0.000 0.453 272 N N -0.429 118.297 118.700 0.044 0.000 2.216 272 N HA -0.061 4.686 4.740 0.012 0.000 0.183 272 N C 1.489 176.932 175.510 -0.112 0.000 1.017 272 N CA 1.444 54.480 53.050 -0.024 0.000 0.861 272 N CB -0.387 38.083 38.487 -0.028 0.000 0.986 272 N HN 0.271 8.651 8.380 -0.000 0.000 0.428 273 V N -0.359 119.429 119.914 -0.209 0.000 2.488 273 V HA -0.036 4.091 4.120 0.012 0.000 0.246 273 V C 0.409 176.104 176.094 -0.665 0.000 1.046 273 V CA 1.059 63.049 62.300 -0.517 0.000 1.053 273 V CB -0.430 30.893 31.823 -0.833 0.000 0.679 273 V HN 0.167 8.357 8.190 -0.000 0.000 0.458 274 F N -0.004 119.883 119.950 -0.106 0.000 2.899 274 F HA 0.471 5.004 4.527 0.010 0.000 0.308 274 F C 0.776 176.545 175.800 -0.052 0.000 1.221 274 F CA -0.387 57.560 58.000 -0.088 0.000 1.265 274 F CB -0.386 38.566 39.000 -0.081 0.000 1.253 274 F HN -0.046 8.254 8.300 -0.000 0.000 0.534 275 I N 0.296 120.873 120.570 0.011 0.000 4.911 275 I HA -0.358 3.819 4.170 0.012 0.000 0.038 275 I C 1.204 177.341 176.117 0.034 0.000 0.637 275 I CA 1.505 62.810 61.300 0.008 0.000 0.215 275 I CB -0.338 37.667 38.000 0.008 0.000 0.332 275 I HN 0.421 8.631 8.210 -0.000 0.000 0.152 276 G N 1.726 110.543 108.800 0.029 0.000 4.126 276 G HA2 0.696 4.663 3.960 0.012 0.000 0.282 276 G HA3 0.696 4.663 3.960 0.012 0.000 0.282 276 G C -0.119 174.805 174.900 0.040 0.000 1.221 276 G CA 0.349 45.469 45.100 0.033 0.000 1.527 276 G HN 0.905 9.195 8.290 -0.000 0.000 0.612 277 A N 1.262 124.116 122.820 0.057 0.000 2.296 277 A HA 0.495 4.822 4.320 0.012 0.000 0.264 277 A C 0.763 178.364 177.584 0.029 0.000 1.097 277 A CA -0.654 51.410 52.037 0.044 0.000 0.811 277 A CB 0.355 19.378 19.000 0.039 0.000 1.072 277 A HN 0.474 8.624 8.150 -0.000 0.000 0.495 278 N N 0.640 119.357 118.700 0.029 0.000 2.359 278 N HA 0.038 4.785 4.740 0.012 0.000 0.261 278 N C -1.817 173.685 175.510 -0.013 0.000 1.267 278 N CA -1.371 51.704 53.050 0.041 0.000 0.864 278 N CB 0.707 39.279 38.487 0.142 0.000 1.063 278 N HN 0.157 8.537 8.380 -0.000 0.000 0.474 279 P HA -0.125 4.295 4.420 -0.000 0.000 0.218 279 P C 1.262 178.553 177.300 -0.015 0.000 1.146 279 P CA 1.157 64.260 63.100 0.005 0.000 0.813 279 P CB 0.233 31.945 31.700 0.021 0.000 0.778 280 L N -1.862 119.363 121.223 0.004 0.000 2.395 280 L HA 0.007 4.354 4.340 0.012 0.000 0.218 280 L C 2.284 179.033 176.870 -0.203 0.000 1.130 280 L CA 0.892 55.760 54.840 0.048 0.000 0.826 280 L CB -0.717 41.452 42.059 0.183 0.000 0.941 280 L HN -0.045 8.185 8.230 -0.000 0.000 0.451 281 A N -0.699 121.805 122.820 -0.527 0.000 2.021 281 A HA 0.000 4.327 4.320 0.012 0.000 0.216 281 A C 2.213 179.485 177.584 -0.520 0.000 1.163 281 A CA 0.617 52.072 52.037 -0.969 0.000 0.676 281 A CB -0.241 18.135 19.000 -1.040 0.000 0.818 281 A HN 0.150 8.300 8.150 -0.000 0.000 0.453 282 V N 0.334 120.079 119.914 -0.280 0.000 2.379 282 V HA -0.196 3.931 4.120 0.012 0.000 0.245 282 V C 2.254 178.271 176.094 -0.130 0.000 1.044 282 V CA 2.242 64.459 62.300 -0.139 0.000 1.036 282 V CB -0.615 31.224 31.823 0.027 0.000 0.664 282 V HN 0.677 8.867 8.190 -0.000 0.000 0.453 283 D N 0.260 120.595 120.400 -0.108 0.000 2.088 283 D HA -0.222 4.425 4.640 0.012 0.000 0.191 283 D C 2.038 178.235 176.300 -0.171 0.000 0.992 283 D CA 1.741 55.704 54.000 -0.061 0.000 0.831 283 D CB -0.241 40.621 40.800 0.103 0.000 0.973 283 D HN 0.219 8.589 8.370 -0.000 0.000 0.447 284 L N 0.217 121.217 121.223 -0.371 0.000 2.051 284 L HA -0.164 4.183 4.340 0.012 0.000 0.214 284 L C 2.312 178.979 176.870 -0.339 0.000 1.076 284 L CA 1.533 56.027 54.840 -0.577 0.000 0.758 284 L CB -0.576 40.908 42.059 -0.958 0.000 0.890 284 L HN 0.256 8.486 8.230 -0.000 0.000 0.433 285 L N -0.787 120.240 121.223 -0.328 0.000 1.970 285 L HA -0.303 4.044 4.340 0.012 0.000 0.212 285 L C 2.557 179.306 176.870 -0.201 0.000 1.071 285 L CA 1.906 56.603 54.840 -0.238 0.000 0.751 285 L CB -0.585 41.303 42.059 -0.284 0.000 0.889 285 L HN 0.358 8.588 8.230 -0.000 0.000 0.432 286 E N 0.029 119.975 120.200 -0.424 0.000 2.113 286 E HA -0.323 4.034 4.350 0.012 0.000 0.210 286 E C 2.009 178.386 176.600 -0.371 0.000 1.040 286 E CA 1.922 57.848 56.400 -0.790 0.000 0.847 286 E CB -0.055 29.255 29.700 -0.650 0.000 0.755 286 E HN 0.381 8.741 8.360 -0.000 0.000 0.459 287 K N -0.686 119.580 120.400 -0.224 0.000 2.504 287 K HA -0.039 4.288 4.320 0.012 0.000 0.195 287 K C 1.724 178.290 176.600 -0.057 0.000 1.036 287 K CA 0.600 56.822 56.287 -0.108 0.000 0.984 287 K CB 0.123 32.583 32.500 -0.067 0.000 0.788 287 K HN 0.233 8.483 8.250 -0.000 0.000 0.488 288 M N -0.453 119.102 119.600 -0.074 0.000 2.800 288 M HA 0.092 4.578 4.480 0.012 0.000 0.257 288 M C 0.658 176.971 176.300 0.023 0.000 1.309 288 M CA 0.462 55.748 55.300 -0.025 0.000 1.202 288 M CB 0.651 33.206 32.600 -0.076 0.000 1.273 288 M HN -0.035 8.255 8.290 -0.000 0.000 0.528 289 L N 1.920 123.126 121.223 -0.028 0.000 2.990 289 L HA 0.236 4.583 4.340 0.012 0.000 0.231 289 L C -0.705 176.327 176.870 0.269 0.000 1.341 289 L CA -0.618 54.197 54.840 -0.042 0.000 1.208 289 L CB -0.284 41.699 42.059 -0.126 0.000 1.571 289 L HN -0.046 8.184 8.230 -0.000 0.000 0.453 290 V N 0.868 120.952 119.914 0.283 0.000 2.461 290 V HA 0.001 4.128 4.120 0.012 0.000 0.275 290 V C 1.201 177.486 176.094 0.320 0.000 1.047 290 V CA -0.401 62.042 62.300 0.239 0.000 0.955 290 V CB 2.055 33.948 31.823 0.117 0.000 0.988 290 V HN 0.403 8.593 8.190 -0.000 0.000 0.471 291 L N 3.123 124.491 121.223 0.241 0.000 2.131 291 L HA -0.016 4.331 4.340 0.012 0.000 0.210 291 L C 1.091 177.958 176.870 -0.005 0.000 1.092 291 L CA 1.564 56.459 54.840 0.091 0.000 0.759 291 L CB -0.298 41.805 42.059 0.074 0.000 0.903 291 L HN 0.826 9.056 8.230 -0.000 0.000 0.435 292 D N -1.647 118.774 120.400 0.034 0.000 2.365 292 D HA 0.064 4.711 4.640 0.012 0.000 0.237 292 D C 1.444 177.745 176.300 0.001 0.000 1.190 292 D CA 0.635 54.638 54.000 0.005 0.000 0.867 292 D CB 0.934 41.749 40.800 0.026 0.000 1.050 292 D HN 0.281 8.651 8.370 -0.000 0.000 0.491 293 S N 2.334 118.002 115.700 -0.053 0.000 2.465 293 S HA -0.189 4.288 4.470 0.012 0.000 0.241 293 S C 1.170 175.763 174.600 -0.012 0.000 1.000 293 S CA 0.685 58.855 58.200 -0.050 0.000 0.964 293 S CB 0.030 63.149 63.200 -0.136 0.000 0.763 293 S HN 0.427 8.737 8.310 -0.000 0.000 0.512 294 D N 1.358 121.757 120.400 -0.002 0.000 2.289 294 D HA 0.089 4.736 4.640 0.012 0.000 0.207 294 D C 1.543 177.855 176.300 0.020 0.000 0.966 294 D CA 0.754 54.761 54.000 0.011 0.000 0.868 294 D CB 0.008 40.818 40.800 0.016 0.000 0.943 294 D HN 0.320 8.690 8.370 -0.000 0.000 0.514 295 K N 0.302 120.718 120.400 0.026 0.000 2.358 295 K HA 0.164 4.491 4.320 0.012 0.000 0.197 295 K C 0.373 176.995 176.600 0.037 0.000 1.025 295 K CA -0.243 56.062 56.287 0.030 0.000 1.104 295 K CB 0.745 33.262 32.500 0.029 0.000 0.855 295 K HN -0.034 8.216 8.250 -0.000 0.000 0.531 296 R N 1.179 121.707 120.500 0.047 0.000 2.442 296 R HA 0.178 4.525 4.340 0.012 0.000 0.291 296 R C 0.251 176.581 176.300 0.050 0.000 1.069 296 R CA -0.170 55.967 56.100 0.061 0.000 1.022 296 R CB 0.264 30.617 30.300 0.088 0.000 0.976 296 R HN 0.088 8.358 8.270 -0.000 0.000 0.443 297 I N 2.690 123.287 120.570 0.046 0.000 2.815 297 I HA -0.107 4.070 4.170 0.012 0.000 0.291 297 I C 0.705 176.858 176.117 0.060 0.000 1.209 297 I CA 0.729 62.059 61.300 0.049 0.000 1.431 297 I CB 0.634 38.660 38.000 0.044 0.000 1.351 297 I HN 0.771 8.981 8.210 -0.000 0.000 0.585 298 T N 3.762 118.353 114.554 0.063 0.000 2.824 298 T HA 0.477 4.834 4.350 0.012 0.000 0.277 298 T C 1.088 175.831 174.700 0.071 0.000 0.975 298 T CA -0.179 61.968 62.100 0.078 0.000 0.966 298 T CB 1.477 70.389 68.868 0.074 0.000 1.054 298 T HN 0.705 8.945 8.240 -0.000 0.000 0.533 299 A N 0.866 123.734 122.820 0.080 0.000 1.858 299 A HA 0.190 4.517 4.320 0.012 0.000 0.216 299 A C 2.682 180.263 177.584 -0.005 0.000 1.190 299 A CA 1.917 53.956 52.037 0.004 0.000 0.617 299 A CB -1.631 17.338 19.000 -0.051 0.000 0.827 299 A HN 1.284 9.434 8.150 -0.000 0.000 0.443 300 A N -0.842 121.997 122.820 0.031 0.000 1.933 300 A HA -0.215 4.112 4.320 0.012 0.000 0.218 300 A C 2.120 179.734 177.584 0.051 0.000 1.175 300 A CA 1.733 53.796 52.037 0.043 0.000 0.628 300 A CB -0.538 18.499 19.000 0.062 0.000 0.814 300 A HN 0.683 8.833 8.150 -0.000 0.000 0.444 301 Q N -0.790 119.044 119.800 0.057 0.000 2.079 301 Q HA -0.027 4.320 4.340 0.012 0.000 0.200 301 Q C 2.408 178.463 176.000 0.091 0.000 0.974 301 Q CA 1.235 57.080 55.803 0.069 0.000 0.840 301 Q CB -0.359 28.421 28.738 0.070 0.000 0.898 301 Q HN 0.672 8.942 8.270 -0.000 0.000 0.430 302 A N 0.849 123.723 122.820 0.089 0.000 2.019 302 A HA -0.136 4.191 4.320 0.012 0.000 0.219 302 A C 2.019 179.734 177.584 0.218 0.000 1.164 302 A CA 0.967 53.100 52.037 0.159 0.000 0.644 302 A CB -0.575 18.490 19.000 0.109 0.000 0.805 302 A HN 0.281 8.431 8.150 -0.000 0.000 0.449 303 L N -1.112 120.126 121.223 0.026 0.000 2.141 303 L HA -0.123 4.224 4.340 0.012 0.000 0.209 303 L C 2.549 179.276 176.870 -0.238 0.000 1.094 303 L CA 0.961 55.769 54.840 -0.054 0.000 0.763 303 L CB -0.356 41.683 42.059 -0.034 0.000 0.908 303 L HN 0.405 8.635 8.230 -0.000 0.000 0.437 304 A N -1.958 120.713 122.820 -0.249 0.000 2.327 304 A HA -0.019 4.308 4.320 0.012 0.000 0.228 304 A C 0.678 178.265 177.584 0.005 0.000 1.275 304 A CA -0.151 51.682 52.037 -0.341 0.000 0.875 304 A CB -0.810 18.140 19.000 -0.084 0.000 0.925 304 A HN 0.304 8.454 8.150 -0.000 0.000 0.493 305 H N -0.348 118.780 119.070 0.097 0.000 2.562 305 H HA 0.432 4.995 4.556 0.012 0.000 0.352 305 H C 1.269 176.662 175.328 0.109 0.000 1.125 305 H CA 0.372 56.494 56.048 0.123 0.000 1.379 305 H CB 1.504 31.362 29.762 0.160 0.000 1.464 305 H HN 0.125 8.405 8.280 -0.000 0.000 0.563 306 A N 4.561 127.204 122.820 -0.294 0.000 2.070 306 A HA -0.234 4.093 4.320 0.012 0.000 0.220 306 A C 1.822 179.449 177.584 0.071 0.000 1.159 306 A CA 1.010 52.981 52.037 -0.110 0.000 0.656 306 A CB -0.848 18.026 19.000 -0.210 0.000 0.800 306 A HN 0.814 8.964 8.150 -0.000 0.000 0.453 307 Y N -0.777 119.561 120.300 0.064 0.000 2.483 307 Y HA -0.098 4.459 4.550 0.010 0.000 0.291 307 Y C 0.838 176.551 175.900 -0.312 0.000 1.143 307 Y CA 0.892 58.868 58.100 -0.207 0.000 1.289 307 Y CB -0.287 37.887 38.460 -0.477 0.000 0.983 307 Y HN 0.352 8.632 8.280 -0.000 0.000 0.556 308 F N -1.677 118.403 119.950 0.217 0.000 2.647 308 F HA 0.350 4.883 4.527 0.010 0.000 0.300 308 F C 1.897 177.763 175.800 0.111 0.000 1.106 308 F CA 0.130 58.230 58.000 0.166 0.000 1.313 308 F CB -0.227 38.956 39.000 0.306 0.000 1.007 308 F HN 0.007 8.307 8.300 -0.000 0.000 0.536 309 A N -0.027 122.882 122.820 0.149 0.000 1.978 309 A HA -0.196 4.131 4.320 0.012 0.000 0.220 309 A C 2.172 179.753 177.584 -0.005 0.000 1.170 309 A CA 1.460 53.550 52.037 0.088 0.000 0.636 309 A CB -0.243 18.773 19.000 0.027 0.000 0.810 309 A HN 0.264 8.414 8.150 -0.000 0.000 0.448 310 Q N -2.051 117.681 119.800 -0.113 0.000 2.378 310 Q HA -0.016 4.331 4.340 0.012 0.000 0.205 310 Q C 0.798 176.471 176.000 -0.545 0.000 0.954 310 Q CA 1.159 56.742 55.803 -0.368 0.000 0.901 310 Q CB -0.231 28.175 28.738 -0.553 0.000 0.981 310 Q HN 0.928 9.198 8.270 -0.000 0.000 0.483 311 Y N -2.027 118.188 120.300 -0.142 0.000 2.452 311 Y HA 0.112 4.670 4.550 0.013 0.000 0.262 311 Y C 0.685 176.309 175.900 -0.460 0.000 1.089 311 Y CA -0.636 57.231 58.100 -0.388 0.000 1.262 311 Y CB 0.342 38.414 38.460 -0.646 0.000 1.236 311 Y HN 0.076 8.356 8.280 -0.000 0.000 0.512 312 H N 1.848 120.837 119.070 -0.136 0.000 2.886 312 H HA 0.219 4.782 4.556 0.011 0.000 0.329 312 H C -1.015 174.354 175.328 0.069 0.000 1.044 312 H CA -0.021 56.070 56.048 0.071 0.000 1.456 312 H CB 0.462 30.346 29.762 0.204 0.000 1.464 312 H HN 0.071 8.351 8.280 -0.000 0.000 0.573 313 D N 5.813 126.106 120.400 -0.178 0.000 2.479 313 D HA 0.221 4.867 4.640 0.012 0.000 0.246 313 D C -2.229 173.917 176.300 -0.257 0.000 1.336 313 D CA -2.251 51.592 54.000 -0.261 0.000 0.967 313 D CB 1.690 42.449 40.800 -0.067 0.000 1.275 313 D HN 0.304 8.674 8.370 -0.000 0.000 0.577 314 P HA -0.063 4.357 4.420 -0.000 0.000 0.222 314 P C 0.306 177.604 177.300 -0.004 0.000 1.142 314 P CA 0.971 64.005 63.100 -0.109 0.000 0.788 314 P CB 0.352 32.011 31.700 -0.068 0.000 0.767 315 D N -1.947 118.439 120.400 -0.024 0.000 2.369 315 D HA 0.007 4.654 4.640 0.012 0.000 0.211 315 D C 0.143 176.456 176.300 0.022 0.000 1.077 315 D CA 0.444 54.448 54.000 0.007 0.000 0.842 315 D CB 0.278 41.076 40.800 -0.004 0.000 0.947 315 D HN 0.132 8.502 8.370 -0.000 0.000 0.509 316 D N 0.828 121.250 120.400 0.036 0.000 2.952 316 D HA 0.077 4.724 4.640 0.012 0.000 0.373 316 D C -0.665 175.691 176.300 0.094 0.000 1.360 316 D CA -0.077 53.953 54.000 0.049 0.000 0.788 316 D CB 0.100 40.925 40.800 0.042 0.000 1.192 316 D HN -0.094 8.276 8.370 -0.000 0.000 0.462 317 E N 1.501 121.766 120.200 0.109 0.000 3.651 317 E HA 0.232 4.589 4.350 0.012 0.000 0.220 317 E C -2.375 174.317 176.600 0.155 0.000 1.222 317 E CA -1.554 54.933 56.400 0.145 0.000 1.114 317 E CB 1.301 31.102 29.700 0.168 0.000 1.278 317 E HN 0.238 8.598 8.360 -0.000 0.000 0.412 318 P HA 0.025 4.445 4.420 -0.000 0.000 0.272 318 P C 0.099 177.573 177.300 0.291 0.000 1.223 318 P CA -0.298 62.919 63.100 0.195 0.000 0.784 318 P CB 1.026 32.817 31.700 0.152 0.000 0.923 319 V N -1.605 118.448 119.914 0.231 0.000 2.966 319 V HA 0.850 4.977 4.120 0.012 0.000 0.317 319 V C 0.014 176.216 176.094 0.179 0.000 1.070 319 V CA -1.295 61.113 62.300 0.181 0.000 1.008 319 V CB 0.911 32.782 31.823 0.079 0.000 1.070 319 V HN 0.708 8.898 8.190 -0.000 0.000 0.457 320 A N 1.146 123.879 122.820 -0.145 0.000 2.316 320 A HA 0.516 4.843 4.320 0.012 0.000 0.284 320 A C 0.030 177.602 177.584 -0.020 0.000 1.115 320 A CA -0.476 51.382 52.037 -0.298 0.000 0.812 320 A CB -0.124 18.354 19.000 -0.870 0.000 1.064 320 A HN 0.971 9.121 8.150 -0.000 0.000 0.489 321 D N 2.205 122.624 120.400 0.032 0.000 2.443 321 D HA 0.158 4.805 4.640 0.012 0.000 0.234 321 D C -2.002 174.462 176.300 0.274 0.000 1.172 321 D CA -0.266 53.814 54.000 0.133 0.000 0.878 321 D CB 0.070 40.943 40.800 0.122 0.000 1.204 321 D HN 0.325 8.695 8.370 -0.000 0.000 0.453 322 P HA -0.073 4.347 4.420 -0.000 0.000 0.265 322 P C -0.808 176.607 177.300 0.191 0.000 1.187 322 P CA 0.202 63.402 63.100 0.166 0.000 0.766 322 P CB 0.145 31.908 31.700 0.106 0.000 0.820 323 Y N 2.090 122.329 120.300 -0.101 0.000 2.326 323 Y HA 0.308 4.865 4.550 0.012 0.000 0.329 323 Y C -0.663 175.143 175.900 -0.157 0.000 0.973 323 Y CA -1.574 56.321 58.100 -0.341 0.000 1.162 323 Y CB 1.097 39.218 38.460 -0.565 0.000 1.147 323 Y HN 0.220 8.500 8.280 -0.000 0.000 0.456 324 D N 5.184 125.268 120.400 -0.527 0.000 2.352 324 D HA 0.121 4.768 4.640 0.012 0.000 0.245 324 D C -0.193 175.772 176.300 -0.559 0.000 1.224 324 D CA 0.058 53.832 54.000 -0.377 0.000 0.879 324 D CB 0.627 41.352 40.800 -0.125 0.000 1.057 324 D HN 0.734 9.104 8.370 -0.000 0.000 0.491 325 Q N 1.801 121.301 119.800 -0.500 0.000 2.211 325 Q HA 0.133 4.480 4.340 0.012 0.000 0.301 325 Q C 0.615 176.367 176.000 -0.414 0.000 0.884 325 Q CA -0.388 55.099 55.803 -0.526 0.000 1.115 325 Q CB 0.205 28.596 28.738 -0.577 0.000 1.217 325 Q HN 0.328 8.598 8.270 -0.000 0.000 0.451 326 S N 0.613 116.212 115.700 -0.167 0.000 2.442 326 S HA -0.196 4.281 4.470 0.012 0.000 0.236 326 S C 1.670 176.268 174.600 -0.004 0.000 1.007 326 S CA 0.831 58.985 58.200 -0.077 0.000 0.965 326 S CB -0.909 62.285 63.200 -0.009 0.000 0.773 326 S HN 0.640 8.950 8.310 -0.000 0.000 0.504 327 F N 2.505 122.523 119.950 0.114 0.000 2.236 327 F HA 0.030 4.563 4.527 0.011 0.000 0.302 327 F C 1.983 177.951 175.800 0.281 0.000 1.073 327 F CA 1.150 59.312 58.000 0.269 0.000 1.336 327 F CB -0.796 38.500 39.000 0.493 0.000 1.040 327 F HN 0.061 8.361 8.300 -0.000 0.000 0.507 328 E N 1.039 120.929 120.200 -0.517 0.000 2.204 328 E HA -0.161 4.196 4.350 0.012 0.000 0.195 328 E C 2.268 178.841 176.600 -0.045 0.000 0.990 328 E CA 1.469 57.654 56.400 -0.360 0.000 0.821 328 E CB -0.480 28.926 29.700 -0.490 0.000 0.750 328 E HN 0.677 9.037 8.360 -0.000 0.000 0.477 329 S N -0.071 115.623 115.700 -0.009 0.000 2.593 329 S HA 0.132 4.609 4.470 0.012 0.000 0.217 329 S C 0.970 175.624 174.600 0.090 0.000 0.966 329 S CA -0.271 57.946 58.200 0.027 0.000 0.914 329 S CB 0.237 63.435 63.200 -0.003 0.000 0.776 329 S HN -0.102 8.208 8.310 -0.000 0.000 0.523 330 R N 2.683 123.292 120.500 0.182 0.000 2.308 330 R HA 0.407 4.754 4.340 0.012 0.000 0.305 330 R C -1.237 175.236 176.300 0.288 0.000 1.053 330 R CA -0.135 56.076 56.100 0.186 0.000 0.957 330 R CB 0.410 30.812 30.300 0.171 0.000 1.022 330 R HN 0.239 8.509 8.270 -0.000 0.000 0.461 331 D N 4.632 125.129 120.400 0.161 0.000 2.329 331 D HA 0.312 4.959 4.640 0.012 0.000 0.232 331 D C -0.095 176.240 176.300 0.058 0.000 1.088 331 D CA -0.128 53.986 54.000 0.190 0.000 0.835 331 D CB 1.288 42.158 40.800 0.116 0.000 1.078 331 D HN 0.216 8.586 8.370 -0.000 0.000 0.495 332 L N 1.001 122.259 121.223 0.059 0.000 2.277 332 L HA 0.452 4.799 4.340 0.012 0.000 0.254 332 L C -0.501 176.283 176.870 -0.144 0.000 1.044 332 L CA -1.231 53.412 54.840 -0.328 0.000 0.842 332 L CB 1.275 42.631 42.059 -1.172 0.000 1.422 332 L HN 0.010 8.240 8.230 -0.000 0.000 0.422 333 L N 0.502 121.601 121.223 -0.206 0.000 2.439 333 L HA 0.287 4.634 4.340 0.012 0.000 0.259 333 L C 1.223 178.114 176.870 0.036 0.000 1.129 333 L CA 0.372 55.184 54.840 -0.047 0.000 0.803 333 L CB 0.593 42.610 42.059 -0.070 0.000 1.161 333 L HN 0.474 8.704 8.230 -0.000 0.000 0.462 334 I N 0.400 121.046 120.570 0.127 0.000 2.151 334 I HA -0.305 3.872 4.170 0.012 0.000 0.243 334 I C 1.440 177.604 176.117 0.079 0.000 1.080 334 I CA 1.321 62.729 61.300 0.181 0.000 1.339 334 I CB -0.105 37.969 38.000 0.124 0.000 1.039 334 I HN 0.684 8.894 8.210 -0.000 0.000 0.409 335 D N 0.536 120.928 120.400 -0.014 0.000 2.178 335 D HA -0.147 4.499 4.640 0.012 0.000 0.202 335 D C 2.106 178.344 176.300 -0.103 0.000 0.974 335 D CA 1.084 55.040 54.000 -0.074 0.000 0.841 335 D CB -0.116 40.640 40.800 -0.074 0.000 0.953 335 D HN 0.492 8.862 8.370 -0.000 0.000 0.478 336 E N -0.280 119.832 120.200 -0.147 0.000 2.028 336 E HA -0.128 4.229 4.350 0.012 0.000 0.190 336 E C 2.235 178.685 176.600 -0.251 0.000 0.984 336 E CA 0.531 56.780 56.400 -0.252 0.000 0.800 336 E CB -0.297 29.166 29.700 -0.396 0.000 0.758 336 E HN 0.390 8.750 8.360 -0.000 0.000 0.448 337 W N 2.033 123.260 121.300 -0.122 0.000 2.321 337 W HA -0.206 4.462 4.660 0.013 0.000 0.306 337 W C 2.547 179.012 176.519 -0.089 0.000 1.217 337 W CA 0.799 58.063 57.345 -0.135 0.000 1.257 337 W CB -0.010 29.450 29.460 0.000 0.000 1.145 337 W HN 0.034 8.214 8.180 -0.000 0.000 0.509 338 K N 0.225 120.663 120.400 0.063 0.000 2.057 338 K HA -0.185 4.142 4.320 0.012 0.000 0.206 338 K C 2.301 178.874 176.600 -0.044 0.000 1.050 338 K CA 1.619 57.715 56.287 -0.319 0.000 0.935 338 K CB -0.479 31.599 32.500 -0.704 0.000 0.715 338 K HN 0.031 8.281 8.250 -0.000 0.000 0.439 339 S N 0.608 116.290 115.700 -0.031 0.000 2.368 339 S HA -0.114 4.362 4.470 0.012 0.000 0.225 339 S C 1.954 176.601 174.600 0.077 0.000 1.030 339 S CA 0.808 59.021 58.200 0.022 0.000 0.999 339 S CB -0.173 63.003 63.200 -0.040 0.000 0.844 339 S HN 0.264 8.574 8.310 -0.000 0.000 0.459 340 L N 1.662 122.894 121.223 0.014 0.000 2.083 340 L HA -0.019 4.327 4.340 0.012 0.000 0.209 340 L C 2.688 179.717 176.870 0.266 0.000 1.083 340 L CA 1.949 56.802 54.840 0.021 0.000 0.752 340 L CB -1.717 40.147 42.059 -0.326 0.000 0.899 340 L HN 0.343 8.573 8.230 -0.000 0.000 0.433 341 T N -2.026 112.752 114.554 0.374 0.000 2.777 341 T HA -0.237 4.120 4.350 0.012 0.000 0.266 341 T C 1.742 176.638 174.700 0.328 0.000 1.040 341 T CA 1.371 63.785 62.100 0.522 0.000 1.141 341 T CB -0.405 68.895 68.868 0.722 0.000 0.868 341 T HN 0.254 8.493 8.240 -0.000 0.000 0.444 342 Y N 2.538 122.857 120.300 0.032 0.000 2.128 342 Y HA -0.196 4.361 4.550 0.011 0.000 0.284 342 Y C 2.060 177.846 175.900 -0.190 0.000 1.154 342 Y CA 1.433 59.260 58.100 -0.455 0.000 1.149 342 Y CB -0.557 37.527 38.460 -0.626 0.000 0.976 342 Y HN 0.156 8.436 8.280 -0.000 0.000 0.505 343 D N 0.129 120.501 120.400 -0.047 0.000 2.126 343 D HA -0.208 4.439 4.640 0.012 0.000 0.190 343 D C 2.018 178.294 176.300 -0.040 0.000 1.001 343 D CA 1.792 55.756 54.000 -0.061 0.000 0.841 343 D CB -0.365 40.461 40.800 0.044 0.000 0.949 343 D HN 0.429 8.799 8.370 -0.000 0.000 0.446 344 E N 0.378 120.617 120.200 0.066 0.000 2.160 344 E HA -0.105 4.252 4.350 0.012 0.000 0.195 344 E C 2.425 179.058 176.600 0.054 0.000 0.991 344 E CA 0.274 56.727 56.400 0.088 0.000 0.810 344 E CB -0.229 29.544 29.700 0.123 0.000 0.742 344 E HN 0.195 8.555 8.360 -0.000 0.000 0.466 345 V N 1.180 121.080 119.914 -0.023 0.000 2.358 345 V HA -0.222 3.905 4.120 0.012 0.000 0.246 345 V C 2.243 178.298 176.094 -0.063 0.000 1.047 345 V CA 1.115 63.384 62.300 -0.052 0.000 1.035 345 V CB -0.296 31.456 31.823 -0.119 0.000 0.658 345 V HN 0.158 8.348 8.190 -0.000 0.000 0.452 346 I N 0.993 121.437 120.570 -0.210 0.000 2.353 346 I HA -0.105 4.072 4.170 0.012 0.000 0.248 346 I C 2.437 178.536 176.117 -0.031 0.000 1.119 346 I CA 1.760 62.950 61.300 -0.184 0.000 1.417 346 I CB -0.889 36.903 38.000 -0.347 0.000 1.078 346 I HN 0.466 8.676 8.210 -0.000 0.000 0.421 347 S N -0.173 115.528 115.700 0.002 0.000 2.701 347 S HA -0.006 4.471 4.470 0.012 0.000 0.220 347 S C 0.697 175.353 174.600 0.094 0.000 0.954 347 S CA -0.442 57.782 58.200 0.041 0.000 0.936 347 S CB -1.149 62.075 63.200 0.041 0.000 0.777 347 S HN 0.178 8.489 8.310 -0.000 0.000 0.518 348 F N 2.578 122.526 119.950 -0.003 0.000 2.495 348 F HA 0.452 4.986 4.527 0.012 0.000 0.365 348 F C -0.339 175.475 175.800 0.023 0.000 1.090 348 F CA -0.761 57.250 58.000 0.019 0.000 1.235 348 F CB 0.790 39.810 39.000 0.032 0.000 1.119 348 F HN -0.065 8.235 8.300 -0.000 0.000 0.562 349 V N 8.767 128.217 119.914 -0.773 0.000 2.334 349 V HA 0.299 4.426 4.120 0.012 0.000 0.281 349 V C -1.947 173.532 176.094 -1.026 0.000 1.016 349 V CA -1.742 60.176 62.300 -0.637 0.000 0.832 349 V CB 0.961 32.600 31.823 -0.307 0.000 0.999 349 V HN 0.665 8.855 8.190 -0.000 0.000 0.439 350 P HA 0.207 4.627 4.420 -0.000 0.000 0.268 350 P C -2.450 174.707 177.300 -0.239 0.000 1.205 350 P CA -0.878 61.951 63.100 -0.452 0.000 0.771 350 P CB -0.027 31.638 31.700 -0.058 0.000 0.858 351 P HA 0.293 4.713 4.420 -0.000 0.000 0.274 351 P C -2.306 174.975 177.300 -0.032 0.000 1.237 351 P CA -1.256 61.810 63.100 -0.056 0.000 0.793 351 P CB -0.871 30.830 31.700 0.002 0.000 0.977 352 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 352 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 352 P CB 0.000 31.689 31.700 -0.019 0.000 0.726