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 3dew_1_A DATA FIRST_RESID 5 DATA SEQUENCE DCRSRLXEVA TELFAQKGFY GVSIRELAQA AGASISXISY HFGGKEGLYA DATA SEQUENCE AVLQEQFACF GQLDDIRGQA GDPLAVXTAY LRWTIQRHRN NPQLLRFYTS DATA SEQUENCE ELTNPTPCFA AIVSPAIASV IRLLAESIEA GXTRGLFRRD LHAVNSALAL DATA SEQUENCE AGXVNYFFLS TLATEGLTSH SPDQDEELIR QYVAIFTRGI XA 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 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 5 D C 0.000 176.315 176.300 0.025 0.000 2.045 5 D CA 0.000 54.022 54.000 0.037 0.000 0.868 5 D CB 0.000 40.815 40.800 0.024 0.000 0.688 6 C N 1.225 120.549 119.300 0.039 0.000 2.413 6 C HA 0.026 4.486 4.460 0.001 0.000 0.277 6 C C 2.907 177.829 174.990 -0.113 0.000 1.265 6 C CA 2.837 61.844 59.018 -0.019 0.000 1.752 6 C CB -1.510 26.250 27.740 0.034 0.000 1.998 6 C HN 0.490 8.720 8.230 -0.000 0.000 0.489 7 R N 0.395 120.905 120.500 0.016 0.000 2.117 7 R HA -0.131 4.210 4.340 0.001 0.000 0.243 7 R C 2.041 178.328 176.300 -0.020 0.000 1.143 7 R CA 2.563 58.688 56.100 0.041 0.000 0.968 7 R CB -1.622 28.848 30.300 0.283 0.000 0.863 7 R HN 0.798 9.068 8.270 -0.000 0.000 0.444 8 S N -0.297 115.402 115.700 -0.003 0.000 2.377 8 S HA -0.037 4.433 4.470 0.001 0.000 0.223 8 S C 2.132 176.716 174.600 -0.027 0.000 1.030 8 S CA 0.856 59.054 58.200 -0.003 0.000 0.970 8 S CB -0.219 62.986 63.200 0.009 0.000 0.830 8 S HN 0.631 8.941 8.310 -0.000 0.000 0.473 9 R N 0.638 121.111 120.500 -0.045 0.000 2.096 9 R HA 0.062 4.402 4.340 0.001 0.000 0.235 9 R C 0.890 177.143 176.300 -0.079 0.000 1.127 9 R CA 0.551 56.619 56.100 -0.053 0.000 0.968 9 R CB -0.398 29.870 30.300 -0.053 0.000 0.861 9 R HN 0.304 8.574 8.270 -0.000 0.000 0.440 13 V N 1.756 121.665 119.914 -0.009 0.000 2.343 13 V HA -0.142 3.978 4.120 0.001 0.000 0.247 13 V C 2.420 178.490 176.094 -0.041 0.000 1.051 13 V CA 2.306 64.586 62.300 -0.033 0.000 1.036 13 V CB -0.763 31.020 31.823 -0.066 0.000 0.654 13 V HN 0.488 8.678 8.190 -0.000 0.000 0.451 14 A N -0.383 122.429 122.820 -0.013 0.000 1.883 14 A HA -0.246 4.074 4.320 0.001 0.000 0.217 14 A C 2.398 180.129 177.584 0.245 0.000 1.186 14 A CA 2.624 54.669 52.037 0.015 0.000 0.624 14 A CB -1.045 18.088 19.000 0.221 0.000 0.822 14 A HN 0.510 8.660 8.150 -0.000 0.000 0.444 15 T N 0.016 114.731 114.554 0.269 0.000 2.652 15 T HA -0.151 4.199 4.350 0.001 0.000 0.267 15 T C 1.811 176.732 174.700 0.368 0.000 1.039 15 T CA 1.463 63.799 62.100 0.394 0.000 1.153 15 T CB -0.319 68.686 68.868 0.229 0.000 0.863 15 T HN 0.527 8.767 8.240 -0.000 0.000 0.428 16 E N 0.981 121.285 120.200 0.173 0.000 2.026 16 E HA -0.140 4.211 4.350 0.001 0.000 0.206 16 E C 2.367 179.003 176.600 0.060 0.000 1.028 16 E CA 1.230 57.685 56.400 0.091 0.000 0.845 16 E CB -0.546 29.172 29.700 0.029 0.000 0.772 16 E HN 0.433 8.793 8.360 -0.000 0.000 0.462 17 L N -0.205 121.010 121.223 -0.014 0.000 2.017 17 L HA -0.171 4.169 4.340 0.001 0.000 0.208 17 L C 2.626 179.477 176.870 -0.032 0.000 1.073 17 L CA 0.998 55.777 54.840 -0.101 0.000 0.745 17 L CB -0.441 41.467 42.059 -0.252 0.000 0.894 17 L HN 0.055 8.285 8.230 -0.000 0.000 0.432 18 F N 0.155 120.197 119.950 0.153 0.000 2.234 18 F HA -0.133 4.394 4.527 0.000 0.000 0.299 18 F C 2.593 178.371 175.800 -0.036 0.000 1.087 18 F CA 0.882 59.014 58.000 0.219 0.000 1.340 18 F CB -1.049 38.309 39.000 0.598 0.000 1.031 18 F HN 0.003 8.303 8.300 -0.000 0.000 0.500 19 A N -0.445 122.382 122.820 0.011 0.000 1.902 19 A HA -0.210 4.110 4.320 0.001 0.000 0.217 19 A C 2.142 179.603 177.584 -0.205 0.000 1.181 19 A CA 1.655 53.414 52.037 -0.463 0.000 0.623 19 A CB -0.618 18.254 19.000 -0.212 0.000 0.818 19 A HN 0.459 8.609 8.150 -0.000 0.000 0.443 20 Q N -1.267 118.495 119.800 -0.064 0.000 2.302 20 Q HA 0.041 4.382 4.340 0.001 0.000 0.202 20 Q C 1.158 177.149 176.000 -0.016 0.000 0.936 20 Q CA 1.018 56.797 55.803 -0.040 0.000 0.886 20 Q CB 0.144 28.866 28.738 -0.026 0.000 0.986 20 Q HN 0.632 8.902 8.270 -0.000 0.000 0.487 21 K N -0.534 119.873 120.400 0.012 0.000 2.440 21 K HA 0.225 4.546 4.320 0.001 0.000 0.207 21 K C 0.280 176.934 176.600 0.089 0.000 1.112 21 K CA 0.351 56.658 56.287 0.035 0.000 1.036 21 K CB 1.751 34.259 32.500 0.012 0.000 0.935 21 K HN 0.183 8.433 8.250 -0.000 0.000 0.564 22 G N 1.657 110.536 108.800 0.132 0.000 2.819 22 G HA2 -0.326 3.634 3.960 0.001 0.000 0.682 22 G HA3 -0.326 3.634 3.960 0.001 0.000 0.682 22 G C 0.174 175.219 174.900 0.241 0.000 1.481 22 G CA -0.195 45.024 45.100 0.199 0.000 0.904 22 G HN 0.162 8.452 8.290 -0.000 0.000 0.563 23 F N 0.592 120.467 119.950 -0.126 0.000 2.120 23 F HA -0.127 4.401 4.527 0.000 0.000 0.300 23 F C 2.445 178.087 175.800 -0.264 0.000 1.095 23 F CA 2.705 60.394 58.000 -0.519 0.000 1.249 23 F CB -0.211 37.960 39.000 -1.381 0.000 0.995 23 F HN 0.477 8.777 8.300 -0.000 0.000 0.480 24 Y N -0.384 119.942 120.300 0.043 0.000 2.583 24 Y HA 0.138 4.688 4.550 0.001 0.000 0.293 24 Y C 2.340 178.202 175.900 -0.063 0.000 1.157 24 Y CA 0.735 58.827 58.100 -0.013 0.000 1.315 24 Y CB -0.653 37.853 38.460 0.077 0.000 1.021 24 Y HN 0.137 8.417 8.280 -0.000 0.000 0.536 25 G N -0.955 107.889 108.800 0.074 0.000 3.159 25 G HA2 0.277 4.238 3.960 0.001 0.000 0.232 25 G HA3 0.277 4.238 3.960 0.001 0.000 0.232 25 G C -0.287 174.593 174.900 -0.033 0.000 1.116 25 G CA 0.064 45.182 45.100 0.030 0.000 0.767 25 G HN 0.030 8.320 8.290 -0.000 0.000 0.547 26 V N 1.621 121.485 119.914 -0.083 0.000 2.459 26 V HA 0.586 4.707 4.120 0.001 0.000 0.295 26 V C 0.161 176.156 176.094 -0.164 0.000 1.029 26 V CA -0.725 61.489 62.300 -0.144 0.000 0.874 26 V CB 1.645 33.326 31.823 -0.237 0.000 0.985 26 V HN 0.340 8.530 8.190 -0.000 0.000 0.438 27 S N 4.368 119.986 115.700 -0.137 0.000 2.638 27 S HA 0.517 4.987 4.470 0.001 0.000 0.298 27 S C 1.008 175.549 174.600 -0.098 0.000 1.111 27 S CA -0.605 57.531 58.200 -0.107 0.000 1.027 27 S CB 1.570 64.727 63.200 -0.071 0.000 1.064 27 S HN 0.670 8.980 8.310 -0.000 0.000 0.525 28 I N 0.999 121.534 120.570 -0.059 0.000 2.286 28 I HA -0.159 4.012 4.170 0.001 0.000 0.248 28 I C 2.810 178.906 176.117 -0.034 0.000 1.115 28 I CA 1.196 62.478 61.300 -0.030 0.000 1.392 28 I CB -0.189 37.815 38.000 0.007 0.000 1.065 28 I HN 0.887 9.097 8.210 -0.000 0.000 0.418 29 R N 0.974 121.455 120.500 -0.032 0.000 2.083 29 R HA -0.247 4.093 4.340 0.001 0.000 0.237 29 R C 2.027 178.300 176.300 -0.045 0.000 1.137 29 R CA 2.245 58.328 56.100 -0.028 0.000 0.951 29 R CB -0.301 29.985 30.300 -0.023 0.000 0.851 29 R HN 0.481 8.751 8.270 -0.000 0.000 0.434 30 E N 0.469 120.630 120.200 -0.066 0.000 2.085 30 E HA -0.208 4.142 4.350 0.001 0.000 0.194 30 E C 2.154 178.693 176.600 -0.101 0.000 0.994 30 E CA 1.544 57.894 56.400 -0.083 0.000 0.801 30 E CB -0.155 29.482 29.700 -0.104 0.000 0.743 30 E HN 0.360 8.720 8.360 -0.000 0.000 0.453 31 L N 0.597 121.746 121.223 -0.123 0.000 2.017 31 L HA -0.204 4.136 4.340 0.001 0.000 0.208 31 L C 2.625 179.445 176.870 -0.084 0.000 1.073 31 L CA 1.126 55.887 54.840 -0.131 0.000 0.745 31 L CB -0.546 41.431 42.059 -0.137 0.000 0.894 31 L HN 0.165 8.395 8.230 -0.000 0.000 0.432 32 A N -0.245 122.543 122.820 -0.053 0.000 1.877 32 A HA -0.277 4.043 4.320 0.001 0.000 0.216 32 A C 2.471 180.034 177.584 -0.035 0.000 1.186 32 A CA 2.324 54.342 52.037 -0.032 0.000 0.620 32 A CB -1.025 17.972 19.000 -0.005 0.000 0.822 32 A HN 0.444 8.594 8.150 -0.000 0.000 0.443 33 Q N -0.940 118.839 119.800 -0.036 0.000 2.061 33 Q HA 0.035 4.375 4.340 0.001 0.000 0.204 33 Q C 2.465 178.442 176.000 -0.039 0.000 0.984 33 Q CA 2.723 58.506 55.803 -0.032 0.000 0.846 33 Q CB -1.360 27.358 28.738 -0.033 0.000 0.902 33 Q HN 1.213 9.483 8.270 -0.000 0.000 0.421 34 A N 0.338 123.127 122.820 -0.053 0.000 1.969 34 A HA 0.351 4.672 4.320 0.001 0.000 0.218 34 A C 2.530 180.083 177.584 -0.051 0.000 1.169 34 A CA 1.923 53.928 52.037 -0.054 0.000 0.635 34 A CB -0.462 18.497 19.000 -0.069 0.000 0.810 34 A HN 1.161 9.310 8.150 -0.000 0.000 0.445 35 A N -1.925 120.859 122.820 -0.060 0.000 2.195 35 A HA 0.426 4.747 4.320 0.001 0.000 0.210 35 A C 1.768 179.323 177.584 -0.047 0.000 1.165 35 A CA 1.133 53.132 52.037 -0.063 0.000 0.806 35 A CB -0.763 18.179 19.000 -0.096 0.000 0.847 35 A HN 1.832 9.982 8.150 -0.000 0.000 0.482 36 G N -1.348 107.432 108.800 -0.034 0.000 2.198 36 G HA2 0.084 4.044 3.960 0.001 0.000 0.260 36 G HA3 0.084 4.044 3.960 0.001 0.000 0.260 36 G C 0.328 175.222 174.900 -0.010 0.000 1.025 36 G CA 0.605 45.694 45.100 -0.018 0.000 0.769 36 G HN 1.533 9.823 8.290 -0.000 0.000 0.507 37 A N -0.393 122.418 122.820 -0.016 0.000 2.294 37 A HA 0.926 5.246 4.320 0.001 0.000 0.330 37 A C 0.734 178.336 177.584 0.031 0.000 1.133 37 A CA 0.578 52.620 52.037 0.009 0.000 0.836 37 A CB 1.015 19.997 19.000 -0.028 0.000 1.190 37 A HN 1.833 9.983 8.150 -0.000 0.000 0.492 38 S N 0.244 115.983 115.700 0.065 0.000 2.617 38 S HA 0.411 4.881 4.470 0.001 0.000 0.269 38 S C 1.015 175.664 174.600 0.082 0.000 1.292 38 S CA -0.459 57.779 58.200 0.063 0.000 1.010 38 S CB 0.428 63.667 63.200 0.064 0.000 0.944 38 S HN 0.496 8.806 8.310 -0.000 0.000 0.536 39 I N 1.503 122.114 120.570 0.069 0.000 2.163 39 I HA -0.181 3.990 4.170 0.001 0.000 0.243 39 I C 1.945 178.144 176.117 0.136 0.000 1.085 39 I CA 1.262 62.612 61.300 0.083 0.000 1.347 39 I CB -0.696 37.340 38.000 0.061 0.000 1.044 39 I HN 0.875 9.085 8.210 -0.000 0.000 0.408 43 S N 0.474 116.278 115.700 0.172 0.000 2.368 43 S HA -0.062 4.408 4.470 0.001 0.000 0.224 43 S C 1.648 176.184 174.600 -0.107 0.000 1.029 43 S CA 1.630 59.838 58.200 0.013 0.000 0.988 43 S CB -0.136 63.019 63.200 -0.075 0.000 0.838 43 S HN 0.374 8.684 8.310 -0.000 0.000 0.462 44 Y N -0.158 120.107 120.300 -0.058 0.000 2.476 44 Y HA 0.177 4.728 4.550 0.000 0.000 0.283 44 Y C 2.111 177.889 175.900 -0.203 0.000 1.109 44 Y CA 0.680 58.672 58.100 -0.180 0.000 1.246 44 Y CB -0.035 38.218 38.460 -0.343 0.000 1.068 44 Y HN 0.410 8.690 8.280 -0.000 0.000 0.552 45 H N -3.488 115.594 119.070 0.019 0.000 2.788 45 H HA 0.174 4.731 4.556 0.001 0.000 0.262 45 H C 0.336 175.340 175.328 -0.540 0.000 0.968 45 H CA 0.209 56.058 56.048 -0.333 0.000 1.218 45 H CB 0.394 29.812 29.762 -0.572 0.000 1.443 45 H HN 0.121 8.401 8.280 -0.000 0.000 0.478 46 F N -0.345 119.716 119.950 0.185 0.000 2.668 46 F HA 0.340 4.868 4.527 0.000 0.000 0.301 46 F C 1.352 177.213 175.800 0.102 0.000 1.106 46 F CA 0.337 58.414 58.000 0.128 0.000 1.289 46 F CB 1.207 40.279 39.000 0.121 0.000 1.006 46 F HN 0.175 8.475 8.300 -0.000 0.000 0.535 47 G N 0.255 109.163 108.800 0.180 0.000 2.143 47 G HA2 0.044 4.004 3.960 0.001 0.000 0.249 47 G HA3 0.044 4.004 3.960 0.001 0.000 0.249 47 G C 0.816 175.791 174.900 0.126 0.000 0.981 47 G CA 0.119 45.291 45.100 0.121 0.000 0.665 47 G HN 1.150 9.440 8.290 -0.000 0.000 0.528 48 G N -0.535 108.353 108.800 0.147 0.000 2.750 48 G HA2 -0.140 3.820 3.960 0.001 0.000 0.228 48 G HA3 -0.140 3.820 3.960 0.001 0.000 0.228 48 G C 0.771 175.785 174.900 0.191 0.000 1.367 48 G CA 0.844 46.023 45.100 0.132 0.000 0.871 48 G HN 1.208 9.498 8.290 -0.000 0.000 0.560 49 K N 0.012 120.521 120.400 0.182 0.000 2.074 49 K HA -0.191 4.129 4.320 0.001 0.000 0.209 49 K C 2.339 179.170 176.600 0.386 0.000 1.048 49 K CA 2.550 59.005 56.287 0.281 0.000 0.926 49 K CB -0.201 32.391 32.500 0.153 0.000 0.713 49 K HN 0.564 8.814 8.250 -0.000 0.000 0.444 50 E N -0.538 119.844 120.200 0.302 0.000 2.046 50 E HA -0.063 4.288 4.350 0.001 0.000 0.190 50 E C 1.963 178.701 176.600 0.230 0.000 0.982 50 E CA 1.262 57.851 56.400 0.315 0.000 0.800 50 E CB -0.452 29.368 29.700 0.199 0.000 0.756 50 E HN 0.514 8.874 8.360 -0.000 0.000 0.449 51 G N 0.844 109.752 108.800 0.181 0.000 2.446 51 G HA2 -0.252 3.708 3.960 0.001 0.000 0.217 51 G HA3 -0.252 3.708 3.960 0.001 0.000 0.217 51 G C 1.551 176.556 174.900 0.175 0.000 1.168 51 G CA 0.755 45.942 45.100 0.145 0.000 0.771 51 G HN 0.134 8.424 8.290 -0.000 0.000 0.551 52 L N -1.135 120.242 121.223 0.257 0.000 2.046 52 L HA -0.067 4.273 4.340 0.001 0.000 0.208 52 L C 2.584 179.630 176.870 0.294 0.000 1.077 52 L CA 1.191 56.211 54.840 0.299 0.000 0.747 52 L CB -0.457 41.833 42.059 0.386 0.000 0.896 52 L HN 0.284 8.514 8.230 -0.000 0.000 0.432 53 Y N 0.726 121.088 120.300 0.104 0.000 2.145 53 Y HA -0.279 4.272 4.550 0.001 0.000 0.286 53 Y C 2.491 178.294 175.900 -0.161 0.000 1.145 53 Y CA 1.214 59.141 58.100 -0.288 0.000 1.148 53 Y CB -0.369 37.794 38.460 -0.495 0.000 0.981 53 Y HN 0.109 8.389 8.280 -0.000 0.000 0.507 54 A N 0.457 123.214 122.820 -0.104 0.000 1.908 54 A HA -0.176 4.144 4.320 0.001 0.000 0.218 54 A C 2.449 179.930 177.584 -0.171 0.000 1.181 54 A CA 2.179 54.112 52.037 -0.174 0.000 0.627 54 A CB -1.537 17.428 19.000 -0.058 0.000 0.818 54 A HN 0.605 8.755 8.150 -0.000 0.000 0.445 55 A N -0.731 122.045 122.820 -0.074 0.000 1.877 55 A HA 0.007 4.327 4.320 0.001 0.000 0.216 55 A C 2.254 179.777 177.584 -0.102 0.000 1.186 55 A CA 1.779 53.790 52.037 -0.043 0.000 0.620 55 A CB -0.961 18.062 19.000 0.038 0.000 0.822 55 A HN 0.391 8.541 8.150 -0.000 0.000 0.443 56 V N -0.497 119.333 119.914 -0.141 0.000 2.295 56 V HA -0.223 3.897 4.120 0.001 0.000 0.246 56 V C 2.494 178.336 176.094 -0.420 0.000 1.049 56 V CA 2.003 64.169 62.300 -0.224 0.000 1.024 56 V CB -0.675 31.068 31.823 -0.132 0.000 0.648 56 V HN 0.540 8.730 8.190 -0.000 0.000 0.447 57 L N -0.231 120.669 121.223 -0.538 0.000 2.093 57 L HA -0.145 4.196 4.340 0.001 0.000 0.208 57 L C 2.428 179.210 176.870 -0.147 0.000 1.085 57 L CA 1.867 56.441 54.840 -0.444 0.000 0.755 57 L CB -0.753 40.962 42.059 -0.574 0.000 0.904 57 L HN 0.347 8.577 8.230 -0.000 0.000 0.435 58 Q N 0.021 119.728 119.800 -0.155 0.000 2.084 58 Q HA -0.226 4.115 4.340 0.001 0.000 0.202 58 Q C 2.086 178.076 176.000 -0.017 0.000 0.978 58 Q CA 1.975 57.742 55.803 -0.060 0.000 0.844 58 Q CB -0.117 28.582 28.738 -0.065 0.000 0.898 58 Q HN 0.592 8.862 8.270 -0.000 0.000 0.426 59 E N -0.650 119.509 120.200 -0.068 0.000 2.051 59 E HA -0.207 4.143 4.350 0.001 0.000 0.192 59 E C 2.076 178.630 176.600 -0.077 0.000 0.991 59 E CA 1.226 57.589 56.400 -0.062 0.000 0.799 59 E CB -0.008 29.644 29.700 -0.080 0.000 0.748 59 E HN 0.356 8.716 8.360 -0.000 0.000 0.449 60 Q N -0.516 119.193 119.800 -0.152 0.000 2.135 60 Q HA -0.136 4.204 4.340 0.001 0.000 0.204 60 Q C 1.569 177.423 176.000 -0.243 0.000 0.981 60 Q CA 1.311 56.970 55.803 -0.239 0.000 0.856 60 Q CB -0.095 28.407 28.738 -0.393 0.000 0.902 60 Q HN 0.334 8.604 8.270 -0.000 0.000 0.425 61 F N -0.505 119.424 119.950 -0.036 0.000 2.695 61 F HA 0.294 4.821 4.527 0.001 0.000 0.303 61 F C 1.832 177.745 175.800 0.188 0.000 1.091 61 F CA 0.021 58.064 58.000 0.072 0.000 1.300 61 F CB -0.102 38.805 39.000 -0.156 0.000 1.071 61 F HN -0.043 8.257 8.300 -0.000 0.000 0.578 62 A N 0.166 123.111 122.820 0.209 0.000 1.892 62 A HA -0.325 3.995 4.320 0.001 0.000 0.218 62 A C 2.361 180.078 177.584 0.222 0.000 1.188 62 A CA 2.167 54.304 52.037 0.167 0.000 0.631 62 A CB -1.578 17.470 19.000 0.080 0.000 0.822 62 A HN 0.623 8.773 8.150 -0.000 0.000 0.447 63 C N -2.534 116.896 119.300 0.216 0.000 2.437 63 C HA 0.077 4.537 4.460 0.001 0.000 0.283 63 C C 2.213 177.445 174.990 0.403 0.000 1.424 63 C CA 0.425 59.583 59.018 0.233 0.000 1.782 63 C CB -2.185 25.615 27.740 0.100 0.000 1.833 63 C HN 0.423 8.653 8.230 -0.000 0.000 0.532 64 F N 2.224 122.380 119.950 0.343 0.000 2.408 64 F HA 0.137 4.664 4.527 0.001 0.000 0.300 64 F C 2.480 178.398 175.800 0.196 0.000 1.090 64 F CA 1.502 59.739 58.000 0.396 0.000 1.427 64 F CB -0.575 38.658 39.000 0.388 0.000 1.070 64 F HN 0.415 8.715 8.300 -0.000 0.000 0.549 65 G N -1.029 107.954 108.800 0.304 0.000 3.141 65 G HA2 0.041 4.001 3.960 0.001 0.000 0.218 65 G HA3 0.041 4.001 3.960 0.001 0.000 0.218 65 G C 0.483 175.439 174.900 0.093 0.000 1.170 65 G CA -0.090 45.105 45.100 0.158 0.000 0.769 65 G HN 0.281 8.571 8.290 -0.000 0.000 0.546 66 Q N 0.324 120.184 119.800 0.100 0.000 2.907 66 Q HA 0.397 4.737 4.340 0.001 0.000 0.262 66 Q C 0.299 176.260 176.000 -0.065 0.000 0.997 66 Q CA -0.196 55.632 55.803 0.041 0.000 0.797 66 Q CB 1.023 29.812 28.738 0.085 0.000 1.228 66 Q HN 0.236 8.506 8.270 -0.000 0.000 0.466 67 L N 0.180 121.307 121.223 -0.161 0.000 2.741 67 L HA 0.158 4.498 4.340 0.001 0.000 0.237 67 L C 0.623 177.336 176.870 -0.263 0.000 1.178 67 L CA -0.138 54.484 54.840 -0.363 0.000 0.973 67 L CB 0.278 42.134 42.059 -0.339 0.000 1.255 67 L HN 0.387 8.617 8.230 -0.000 0.000 0.498 68 D N 0.855 121.164 120.400 -0.151 0.000 2.178 68 D HA -0.173 4.467 4.640 0.001 0.000 0.201 68 D C 1.540 177.780 176.300 -0.100 0.000 0.980 68 D CA 1.142 55.082 54.000 -0.099 0.000 0.842 68 D CB 0.193 40.961 40.800 -0.053 0.000 0.948 68 D HN 0.260 8.630 8.370 -0.000 0.000 0.472 69 D N -0.145 120.182 120.400 -0.122 0.000 2.218 69 D HA -0.071 4.569 4.640 0.001 0.000 0.204 69 D C 2.161 178.401 176.300 -0.099 0.000 0.976 69 D CA 0.477 54.426 54.000 -0.085 0.000 0.853 69 D CB 0.127 40.897 40.800 -0.050 0.000 0.939 69 D HN 0.342 8.712 8.370 -0.000 0.000 0.481 70 I N 0.159 120.619 120.570 -0.183 0.000 2.385 70 I HA -0.062 4.108 4.170 0.001 0.000 0.244 70 I C 2.430 178.493 176.117 -0.089 0.000 1.089 70 I CA 0.242 61.460 61.300 -0.136 0.000 1.410 70 I CB -0.082 37.783 38.000 -0.225 0.000 1.117 70 I HN -0.214 7.996 8.210 -0.000 0.000 0.429 71 R N 1.127 121.561 120.500 -0.111 0.000 2.127 71 R HA -0.125 4.215 4.340 0.001 0.000 0.238 71 R C 2.270 178.545 176.300 -0.042 0.000 1.134 71 R CA 1.502 57.562 56.100 -0.068 0.000 0.975 71 R CB -0.745 29.512 30.300 -0.070 0.000 0.865 71 R HN 0.458 8.728 8.270 -0.000 0.000 0.447 72 G N 0.493 109.267 108.800 -0.044 0.000 2.498 72 G HA2 -0.202 3.758 3.960 0.001 0.000 0.219 72 G HA3 -0.202 3.758 3.960 0.001 0.000 0.219 72 G C 1.229 176.121 174.900 -0.012 0.000 1.119 72 G CA 0.213 45.298 45.100 -0.025 0.000 0.766 72 G HN 0.208 8.498 8.290 -0.000 0.000 0.552 73 Q N 0.112 119.907 119.800 -0.008 0.000 2.360 73 Q HA 0.330 4.670 4.340 0.001 0.000 0.202 73 Q C 1.366 177.374 176.000 0.013 0.000 0.915 73 Q CA 0.107 55.915 55.803 0.008 0.000 0.943 73 Q CB 0.116 28.866 28.738 0.021 0.000 1.064 73 Q HN 0.410 8.680 8.270 -0.000 0.000 0.511 74 A N 0.214 123.038 122.820 0.005 0.000 2.587 74 A HA 0.335 4.655 4.320 0.001 0.000 0.233 74 A C 1.320 178.909 177.584 0.008 0.000 1.049 74 A CA 1.266 53.309 52.037 0.010 0.000 0.754 74 A CB -0.220 18.780 19.000 0.001 0.000 0.977 74 A HN 0.531 8.681 8.150 -0.000 0.000 0.509 75 G N 0.764 109.570 108.800 0.010 0.000 2.259 75 G HA2 -0.157 3.803 3.960 0.001 0.000 0.217 75 G HA3 -0.157 3.803 3.960 0.001 0.000 0.217 75 G C -0.050 174.849 174.900 -0.001 0.000 1.001 75 G CA 0.536 45.636 45.100 -0.000 0.000 0.627 75 G HN 1.188 9.478 8.290 -0.000 0.000 0.501 76 D N 0.614 121.023 120.400 0.015 0.000 2.378 76 D HA 0.539 5.179 4.640 0.001 0.000 0.265 76 D C -1.258 175.080 176.300 0.063 0.000 1.229 76 D CA -1.825 52.189 54.000 0.024 0.000 0.914 76 D CB 1.636 42.451 40.800 0.026 0.000 1.140 76 D HN 0.067 8.437 8.370 -0.000 0.000 0.516 77 P HA -0.084 4.336 4.420 -0.000 0.000 0.216 77 P C 1.788 179.239 177.300 0.253 0.000 1.150 77 P CA 0.793 64.010 63.100 0.195 0.000 0.837 77 P CB 0.393 32.258 31.700 0.276 0.000 0.786 78 L N -1.279 120.083 121.223 0.232 0.000 2.083 78 L HA -0.155 4.186 4.340 0.001 0.000 0.209 78 L C 2.432 179.398 176.870 0.160 0.000 1.083 78 L CA 1.600 56.575 54.840 0.225 0.000 0.752 78 L CB -1.200 40.969 42.059 0.184 0.000 0.899 78 L HN -0.022 8.208 8.230 -0.000 0.000 0.433 79 A N -0.256 122.634 122.820 0.116 0.000 1.930 79 A HA -0.012 4.308 4.320 0.001 0.000 0.217 79 A C 1.477 179.118 177.584 0.095 0.000 1.175 79 A CA 0.510 52.600 52.037 0.089 0.000 0.627 79 A CB -0.547 18.489 19.000 0.060 0.000 0.815 79 A HN 0.117 8.267 8.150 -0.000 0.000 0.443 83 A N 0.844 123.729 122.820 0.109 0.000 1.902 83 A HA -0.028 4.292 4.320 0.001 0.000 0.217 83 A C 1.882 179.544 177.584 0.129 0.000 1.181 83 A CA 2.229 54.321 52.037 0.092 0.000 0.623 83 A CB -0.971 18.064 19.000 0.057 0.000 0.818 83 A HN 0.607 8.757 8.150 -0.000 0.000 0.443 84 Y N 0.703 121.041 120.300 0.064 0.000 2.128 84 Y HA -0.212 4.338 4.550 0.001 0.000 0.284 84 Y C 1.920 177.939 175.900 0.198 0.000 1.154 84 Y CA 1.926 60.098 58.100 0.119 0.000 1.149 84 Y CB -0.473 38.024 38.460 0.061 0.000 0.976 84 Y HN 0.218 8.498 8.280 -0.000 0.000 0.505 85 L N -0.045 121.101 121.223 -0.129 0.000 2.012 85 L HA -0.248 4.092 4.340 0.001 0.000 0.210 85 L C 2.805 179.602 176.870 -0.120 0.000 1.073 85 L CA 1.956 56.690 54.840 -0.177 0.000 0.748 85 L CB -0.632 41.441 42.059 0.022 0.000 0.891 85 L HN 0.161 8.391 8.230 -0.000 0.000 0.431 86 R N -0.601 119.884 120.500 -0.026 0.000 2.081 86 R HA -0.250 4.090 4.340 0.001 0.000 0.235 86 R C 2.266 178.558 176.300 -0.013 0.000 1.131 86 R CA 2.019 58.116 56.100 -0.006 0.000 0.960 86 R CB -0.458 29.860 30.300 0.029 0.000 0.856 86 R HN 0.413 8.683 8.270 -0.000 0.000 0.436 87 W N 0.956 122.136 121.300 -0.199 0.000 2.358 87 W HA -0.134 4.525 4.660 -0.000 0.000 0.303 87 W C 1.826 178.148 176.519 -0.328 0.000 1.208 87 W CA 2.025 59.233 57.345 -0.229 0.000 1.274 87 W CB -0.536 28.802 29.460 -0.202 0.000 1.138 87 W HN -0.033 8.147 8.180 -0.000 0.000 0.515 88 T N 1.313 115.618 114.554 -0.415 0.000 2.777 88 T HA -0.209 4.142 4.350 0.001 0.000 0.266 88 T C 1.852 176.233 174.700 -0.532 0.000 1.040 88 T CA 2.048 63.746 62.100 -0.669 0.000 1.141 88 T CB -0.443 68.091 68.868 -0.557 0.000 0.868 88 T HN 0.153 8.393 8.240 -0.000 0.000 0.444 89 I N 1.006 121.415 120.570 -0.268 0.000 2.179 89 I HA -0.190 3.980 4.170 0.001 0.000 0.242 89 I C 2.815 178.760 176.117 -0.287 0.000 1.088 89 I CA 1.094 62.294 61.300 -0.166 0.000 1.357 89 I CB -0.333 37.708 38.000 0.069 0.000 1.051 89 I HN 0.144 8.354 8.210 -0.000 0.000 0.409 90 Q N 0.492 120.126 119.800 -0.276 0.000 2.224 90 Q HA -0.135 4.205 4.340 0.001 0.000 0.203 90 Q C 2.249 178.008 176.000 -0.401 0.000 0.970 90 Q CA 1.230 56.874 55.803 -0.266 0.000 0.865 90 Q CB -0.321 28.308 28.738 -0.181 0.000 0.922 90 Q HN 0.504 8.774 8.270 -0.000 0.000 0.445 91 R N -0.379 119.727 120.500 -0.656 0.000 2.073 91 R HA -0.118 4.222 4.340 0.001 0.000 0.234 91 R C 2.118 178.036 176.300 -0.636 0.000 1.134 91 R CA 1.113 56.758 56.100 -0.760 0.000 0.952 91 R CB -0.225 29.376 30.300 -1.165 0.000 0.850 91 R HN 0.436 8.706 8.270 -0.000 0.000 0.433 92 H N 0.091 118.802 119.070 -0.598 0.000 2.389 92 H HA 0.024 4.581 4.556 0.001 0.000 0.299 92 H C 2.192 177.281 175.328 -0.398 0.000 1.081 92 H CA 0.968 56.649 56.048 -0.612 0.000 1.345 92 H CB 0.105 29.152 29.762 -1.191 0.000 1.393 92 H HN 0.058 8.338 8.280 -0.000 0.000 0.520 93 R N 0.889 121.256 120.500 -0.221 0.000 2.092 93 R HA -0.035 4.306 4.340 0.001 0.000 0.231 93 R C 1.787 178.033 176.300 -0.091 0.000 1.119 93 R CA 0.624 56.670 56.100 -0.090 0.000 0.970 93 R CB -0.655 29.618 30.300 -0.045 0.000 0.864 93 R HN 0.548 8.818 8.270 -0.000 0.000 0.440 94 N N 0.505 119.120 118.700 -0.141 0.000 2.396 94 N HA -0.104 4.636 4.740 0.001 0.000 0.180 94 N C 0.170 175.619 175.510 -0.102 0.000 1.028 94 N CA 0.406 53.387 53.050 -0.116 0.000 0.893 94 N CB 0.046 38.446 38.487 -0.145 0.000 0.967 94 N HN 0.009 8.389 8.380 -0.000 0.000 0.440 95 N N -0.090 118.535 118.700 -0.126 0.000 2.690 95 N HA 0.229 4.970 4.740 0.001 0.000 0.255 95 N C -2.396 173.089 175.510 -0.041 0.000 1.195 95 N CA -1.974 51.026 53.050 -0.084 0.000 0.790 95 N CB 1.296 39.712 38.487 -0.118 0.000 1.216 95 N HN -0.190 8.190 8.380 -0.000 0.000 0.528 96 P HA -0.101 4.319 4.420 -0.000 0.000 0.221 96 P C 0.915 178.242 177.300 0.046 0.000 1.145 96 P CA 1.060 64.168 63.100 0.014 0.000 0.795 96 P CB 0.442 32.151 31.700 0.014 0.000 0.775 97 Q N -1.279 118.572 119.800 0.084 0.000 2.389 97 Q HA 0.002 4.342 4.340 0.001 0.000 0.204 97 Q C 1.953 178.099 176.000 0.242 0.000 0.944 97 Q CA 0.478 56.384 55.803 0.171 0.000 0.908 97 Q CB -0.666 28.259 28.738 0.312 0.000 1.002 97 Q HN 0.290 8.560 8.270 -0.000 0.000 0.493 98 L N 0.340 121.652 121.223 0.147 0.000 2.046 98 L HA -0.120 4.221 4.340 0.001 0.000 0.208 98 L C 1.954 178.949 176.870 0.209 0.000 1.077 98 L CA 1.482 56.402 54.840 0.134 0.000 0.747 98 L CB -0.468 41.539 42.059 -0.087 0.000 0.896 98 L HN 0.131 8.361 8.230 -0.000 0.000 0.432 99 L N -0.994 120.318 121.223 0.148 0.000 2.275 99 L HA -0.135 4.206 4.340 0.001 0.000 0.215 99 L C 2.704 179.688 176.870 0.190 0.000 1.119 99 L CA 0.736 55.664 54.840 0.146 0.000 0.790 99 L CB -0.347 41.727 42.059 0.025 0.000 0.919 99 L HN 0.273 8.503 8.230 -0.000 0.000 0.443 100 R N -0.585 119.987 120.500 0.121 0.000 2.080 100 R HA -0.176 4.164 4.340 0.001 0.000 0.236 100 R C 2.228 178.573 176.300 0.076 0.000 1.137 100 R CA 1.728 57.838 56.100 0.017 0.000 0.943 100 R CB -0.481 29.724 30.300 -0.157 0.000 0.846 100 R HN 0.182 8.452 8.270 -0.000 0.000 0.431 101 F N -0.880 119.211 119.950 0.234 0.000 2.186 101 F HA -0.180 4.348 4.527 0.001 0.000 0.299 101 F C 2.306 178.345 175.800 0.399 0.000 1.090 101 F CA 1.086 59.267 58.000 0.302 0.000 1.307 101 F CB -0.627 38.537 39.000 0.274 0.000 1.019 101 F HN 0.040 8.340 8.300 -0.000 0.000 0.489 102 Y N 1.299 121.873 120.300 0.457 0.000 2.145 102 Y HA -0.273 4.277 4.550 0.000 0.000 0.286 102 Y C 2.846 178.946 175.900 0.334 0.000 1.145 102 Y CA 2.228 60.607 58.100 0.465 0.000 1.148 102 Y CB -0.826 37.841 38.460 0.345 0.000 0.981 102 Y HN 0.139 8.419 8.280 -0.000 0.000 0.507 103 T N -3.318 111.546 114.554 0.517 0.000 2.857 103 T HA -0.167 4.183 4.350 0.001 0.000 0.266 103 T C 2.201 177.032 174.700 0.219 0.000 1.048 103 T CA 1.317 63.618 62.100 0.335 0.000 1.139 103 T CB -0.941 68.080 68.868 0.254 0.000 0.874 103 T HN 0.310 8.550 8.240 -0.000 0.000 0.455 104 S N 0.857 116.690 115.700 0.221 0.000 2.356 104 S HA -0.148 4.322 4.470 0.001 0.000 0.223 104 S C 2.207 176.919 174.600 0.187 0.000 1.032 104 S CA 1.097 59.407 58.200 0.184 0.000 1.005 104 S CB -0.522 62.789 63.200 0.185 0.000 0.867 104 S HN 0.491 8.801 8.310 -0.000 0.000 0.449 105 E N 0.844 121.191 120.200 0.244 0.000 2.110 105 E HA -0.055 4.295 4.350 0.001 0.000 0.193 105 E C 2.125 178.729 176.600 0.007 0.000 0.988 105 E CA 0.825 57.347 56.400 0.204 0.000 0.804 105 E CB -0.388 29.494 29.700 0.305 0.000 0.745 105 E HN 0.522 8.882 8.360 -0.000 0.000 0.458 106 L N 0.684 121.923 121.223 0.026 0.000 2.201 106 L HA -0.123 4.218 4.340 0.001 0.000 0.212 106 L C 2.490 179.269 176.870 -0.152 0.000 1.105 106 L CA 1.625 56.399 54.840 -0.110 0.000 0.775 106 L CB -0.305 41.771 42.059 0.028 0.000 0.913 106 L HN 0.205 8.435 8.230 -0.000 0.000 0.440 107 T N -5.500 109.027 114.554 -0.045 0.000 3.022 107 T HA 0.064 4.414 4.350 0.001 0.000 0.250 107 T C 0.791 175.460 174.700 -0.052 0.000 1.060 107 T CA 0.036 62.112 62.100 -0.039 0.000 1.013 107 T CB 0.069 68.949 68.868 0.019 0.000 0.982 107 T HN 0.087 8.327 8.240 -0.000 0.000 0.508 108 N N 2.142 120.824 118.700 -0.031 0.000 2.666 108 N HA 0.314 5.054 4.740 0.001 0.000 0.253 108 N C -3.186 172.392 175.510 0.112 0.000 1.621 108 N CA -1.445 51.617 53.050 0.021 0.000 0.785 108 N CB 1.327 39.871 38.487 0.095 0.000 1.332 108 N HN 0.162 8.542 8.380 -0.000 0.000 0.514 109 P HA 0.138 4.558 4.420 -0.000 0.000 0.271 109 P C 0.035 177.423 177.300 0.148 0.000 1.218 109 P CA 0.082 63.165 63.100 -0.027 0.000 0.780 109 P CB 1.046 32.554 31.700 -0.321 0.000 0.901 110 T N -1.058 113.542 114.554 0.077 0.000 2.889 110 T HA 0.431 4.781 4.350 0.001 0.000 0.278 110 T C -1.897 172.768 174.700 -0.059 0.000 0.995 110 T CA -2.015 60.013 62.100 -0.121 0.000 0.966 110 T CB 0.236 68.772 68.868 -0.553 0.000 1.237 110 T HN 0.069 8.309 8.240 -0.000 0.000 0.591 111 P HA 0.071 4.491 4.420 -0.000 0.000 0.221 111 P C 1.127 178.384 177.300 -0.071 0.000 1.145 111 P CA 0.567 63.620 63.100 -0.078 0.000 0.795 111 P CB -0.362 31.273 31.700 -0.109 0.000 0.775 112 C N -2.605 116.642 119.300 -0.088 0.000 2.472 112 C HA 0.001 4.462 4.460 0.001 0.000 0.278 112 C C 2.293 177.212 174.990 -0.119 0.000 1.447 112 C CA -0.203 58.752 59.018 -0.104 0.000 1.773 112 C CB -2.223 25.455 27.740 -0.104 0.000 1.793 112 C HN 0.216 8.446 8.230 -0.000 0.000 0.544 113 F N 2.815 122.672 119.950 -0.155 0.000 2.084 113 F HA -0.056 4.472 4.527 0.001 0.000 0.296 113 F C 2.339 178.024 175.800 -0.191 0.000 1.111 113 F CA 1.760 59.652 58.000 -0.180 0.000 1.224 113 F CB -0.566 38.365 39.000 -0.116 0.000 0.991 113 F HN 0.140 8.440 8.300 -0.000 0.000 0.471 114 A N 0.175 122.896 122.820 -0.165 0.000 1.969 114 A HA 0.031 4.351 4.320 0.001 0.000 0.218 114 A C 2.323 179.735 177.584 -0.286 0.000 1.169 114 A CA 1.581 53.467 52.037 -0.250 0.000 0.635 114 A CB -1.460 17.511 19.000 -0.049 0.000 0.810 114 A HN 0.515 8.665 8.150 -0.000 0.000 0.445 115 A N -0.938 121.741 122.820 -0.234 0.000 1.930 115 A HA 0.222 4.542 4.320 0.001 0.000 0.215 115 A C 1.943 179.368 177.584 -0.265 0.000 1.176 115 A CA 1.505 53.419 52.037 -0.205 0.000 0.632 115 A CB -0.224 18.686 19.000 -0.150 0.000 0.819 115 A HN 0.477 8.627 8.150 -0.000 0.000 0.445 116 I N -2.512 117.833 120.570 -0.375 0.000 3.739 116 I HA 0.021 4.192 4.170 0.001 0.000 0.272 116 I C 1.955 177.650 176.117 -0.704 0.000 1.167 116 I CA 0.316 61.350 61.300 -0.443 0.000 1.386 116 I CB 0.190 37.943 38.000 -0.411 0.000 1.490 116 I HN 0.038 8.248 8.210 -0.000 0.000 0.452 117 V N 0.047 119.421 119.914 -0.900 0.000 2.346 117 V HA -0.192 3.928 4.120 0.001 0.000 0.244 117 V C 2.505 178.030 176.094 -0.950 0.000 1.037 117 V CA 2.201 63.780 62.300 -1.202 0.000 1.029 117 V CB -0.356 30.898 31.823 -0.948 0.000 0.663 117 V HN 0.397 8.587 8.190 -0.000 0.000 0.454 118 S N 0.589 115.609 115.700 -1.133 0.000 2.348 118 S HA -0.094 4.377 4.470 0.001 0.000 0.221 118 S C 0.251 174.589 174.600 -0.437 0.000 1.033 118 S CA 1.964 59.642 58.200 -0.870 0.000 1.010 118 S CB -1.187 61.386 63.200 -1.044 0.000 0.891 118 S HN 0.536 8.846 8.310 -0.000 0.000 0.442 119 P HA 0.028 4.448 4.420 -0.000 0.000 0.218 119 P C 1.333 178.549 177.300 -0.140 0.000 1.149 119 P CA 1.462 64.438 63.100 -0.207 0.000 0.817 119 P CB -0.306 31.286 31.700 -0.180 0.000 0.785 120 A N 0.152 122.839 122.820 -0.222 0.000 1.858 120 A HA -0.147 4.173 4.320 0.001 0.000 0.216 120 A C 2.360 179.981 177.584 0.062 0.000 1.190 120 A CA 1.480 53.455 52.037 -0.103 0.000 0.617 120 A CB -1.542 17.217 19.000 -0.401 0.000 0.827 120 A HN 0.104 8.254 8.150 -0.000 0.000 0.443 121 I N -0.247 120.271 120.570 -0.087 0.000 2.179 121 I HA -0.263 3.907 4.170 0.001 0.000 0.242 121 I C 2.987 179.190 176.117 0.144 0.000 1.088 121 I CA 1.047 62.432 61.300 0.141 0.000 1.357 121 I CB -0.374 37.646 38.000 0.033 0.000 1.051 121 I HN 0.356 8.566 8.210 -0.000 0.000 0.409 122 A N 0.905 123.743 122.820 0.031 0.000 1.908 122 A HA -0.251 4.069 4.320 0.001 0.000 0.218 122 A C 2.515 180.131 177.584 0.053 0.000 1.181 122 A CA 2.351 54.406 52.037 0.031 0.000 0.627 122 A CB -0.925 18.064 19.000 -0.019 0.000 0.818 122 A HN 0.549 8.699 8.150 -0.000 0.000 0.445 123 S N -0.439 115.302 115.700 0.068 0.000 2.382 123 S HA -0.132 4.339 4.470 0.001 0.000 0.228 123 S C 1.750 176.397 174.600 0.077 0.000 1.027 123 S CA 1.538 59.779 58.200 0.067 0.000 0.991 123 S CB -0.920 62.329 63.200 0.080 0.000 0.823 123 S HN 0.258 8.568 8.310 -0.000 0.000 0.469 124 V N 2.073 122.081 119.914 0.157 0.000 2.323 124 V HA -0.071 4.050 4.120 0.001 0.000 0.244 124 V C 2.574 178.678 176.094 0.018 0.000 1.041 124 V CA 1.302 63.672 62.300 0.118 0.000 1.025 124 V CB -0.668 31.357 31.823 0.338 0.000 0.656 124 V HN 0.432 8.622 8.190 -0.000 0.000 0.451 125 I N 0.273 120.878 120.570 0.058 0.000 2.208 125 I HA -0.225 3.945 4.170 0.001 0.000 0.245 125 I C 2.580 178.694 176.117 -0.005 0.000 1.097 125 I CA 1.724 63.030 61.300 0.009 0.000 1.363 125 I CB -1.228 36.804 38.000 0.054 0.000 1.051 125 I HN 0.341 8.551 8.210 -0.000 0.000 0.413 126 R N 0.722 121.230 120.500 0.013 0.000 2.096 126 R HA -0.193 4.147 4.340 0.001 0.000 0.235 126 R C 2.340 178.639 176.300 -0.002 0.000 1.127 126 R CA 1.198 57.304 56.100 0.010 0.000 0.968 126 R CB -0.235 30.072 30.300 0.013 0.000 0.861 126 R HN 0.225 8.495 8.270 -0.000 0.000 0.440 127 L N 1.011 122.223 121.223 -0.019 0.000 2.027 127 L HA -0.102 4.238 4.340 0.001 0.000 0.206 127 L C 1.979 178.828 176.870 -0.035 0.000 1.074 127 L CA 1.617 56.438 54.840 -0.032 0.000 0.745 127 L CB -0.400 41.624 42.059 -0.059 0.000 0.898 127 L HN 0.217 8.447 8.230 -0.000 0.000 0.433 128 L N -0.612 120.564 121.223 -0.077 0.000 2.017 128 L HA -0.178 4.163 4.340 0.001 0.000 0.208 128 L C 2.688 179.558 176.870 0.000 0.000 1.073 128 L CA 1.241 56.031 54.840 -0.083 0.000 0.745 128 L CB -1.000 40.926 42.059 -0.223 0.000 0.894 128 L HN 0.377 8.607 8.230 -0.000 0.000 0.432 129 A N -0.095 122.729 122.820 0.007 0.000 1.902 129 A HA -0.235 4.085 4.320 0.001 0.000 0.217 129 A C 2.150 179.771 177.584 0.062 0.000 1.181 129 A CA 1.750 53.815 52.037 0.046 0.000 0.623 129 A CB -0.464 18.561 19.000 0.041 0.000 0.818 129 A HN 0.455 8.605 8.150 -0.000 0.000 0.443 130 E N -0.389 119.837 120.200 0.043 0.000 2.077 130 E HA -0.128 4.222 4.350 0.001 0.000 0.193 130 E C 2.292 178.934 176.600 0.069 0.000 0.989 130 E CA 1.359 57.788 56.400 0.047 0.000 0.800 130 E CB -0.142 29.575 29.700 0.027 0.000 0.746 130 E HN 0.562 8.922 8.360 -0.000 0.000 0.452 131 S N 0.423 116.171 115.700 0.081 0.000 2.383 131 S HA -0.077 4.393 4.470 0.001 0.000 0.227 131 S C 1.968 176.704 174.600 0.226 0.000 1.026 131 S CA 0.598 58.873 58.200 0.125 0.000 0.981 131 S CB -0.090 63.186 63.200 0.127 0.000 0.818 131 S HN 0.195 8.505 8.310 -0.000 0.000 0.472 132 I N 1.310 122.020 120.570 0.233 0.000 2.179 132 I HA -0.201 3.970 4.170 0.001 0.000 0.242 132 I C 2.641 178.932 176.117 0.289 0.000 1.088 132 I CA 1.434 62.923 61.300 0.316 0.000 1.357 132 I CB -0.374 37.714 38.000 0.147 0.000 1.051 132 I HN 0.268 8.478 8.210 -0.000 0.000 0.409 133 E N 1.639 121.936 120.200 0.161 0.000 2.085 133 E HA -0.221 4.129 4.350 0.001 0.000 0.194 133 E C 2.080 178.733 176.600 0.088 0.000 0.994 133 E CA 1.787 58.254 56.400 0.112 0.000 0.801 133 E CB -0.185 29.560 29.700 0.075 0.000 0.743 133 E HN 0.419 8.779 8.360 -0.000 0.000 0.453 134 A N 0.757 123.624 122.820 0.078 0.000 1.902 134 A HA 0.089 4.409 4.320 0.001 0.000 0.217 134 A C 1.714 179.283 177.584 -0.026 0.000 1.181 134 A CA 1.270 53.323 52.037 0.026 0.000 0.623 134 A CB -1.336 17.677 19.000 0.021 0.000 0.818 134 A HN 0.379 8.529 8.150 -0.000 0.000 0.443 138 R N 1.381 121.835 120.500 -0.076 0.000 2.280 138 R HA 0.313 4.654 4.340 0.001 0.000 0.207 138 R C 1.764 178.004 176.300 -0.100 0.000 1.043 138 R CA 0.953 56.995 56.100 -0.096 0.000 1.006 138 R CB -0.067 30.151 30.300 -0.135 0.000 0.885 138 R HN 0.534 8.804 8.270 -0.000 0.000 0.467 139 G N 0.438 109.181 108.800 -0.094 0.000 2.159 139 G HA2 -0.274 3.686 3.960 0.001 0.000 0.256 139 G HA3 -0.274 3.686 3.960 0.001 0.000 0.256 139 G C 0.700 175.537 174.900 -0.106 0.000 0.977 139 G CA 0.173 45.229 45.100 -0.074 0.000 0.652 139 G HN 0.256 8.546 8.290 -0.000 0.000 0.531 140 L N -1.350 119.736 121.223 -0.228 0.000 2.109 140 L HA 0.279 4.619 4.340 0.001 0.000 0.207 140 L C 1.090 177.863 176.870 -0.162 0.000 1.086 140 L CA 0.822 55.467 54.840 -0.326 0.000 0.760 140 L CB -0.247 41.382 42.059 -0.717 0.000 0.910 140 L HN 0.172 8.402 8.230 -0.000 0.000 0.437 141 F N -0.614 119.314 119.950 -0.037 0.000 2.507 141 F HA 0.446 4.973 4.527 0.000 0.000 0.327 141 F C 0.678 176.443 175.800 -0.058 0.000 1.068 141 F CA -1.769 56.197 58.000 -0.058 0.000 0.965 141 F CB 0.607 39.571 39.000 -0.062 0.000 1.192 141 F HN -0.217 8.083 8.300 -0.000 0.000 0.476 142 R N 1.227 121.811 120.500 0.140 0.000 2.698 142 R HA 0.109 4.449 4.340 0.001 0.000 0.266 142 R C 0.697 177.011 176.300 0.022 0.000 1.026 142 R CA 0.071 56.194 56.100 0.039 0.000 1.102 142 R CB 0.563 30.855 30.300 -0.014 0.000 0.978 142 R HN 0.668 8.938 8.270 -0.000 0.000 0.436 143 R N 0.998 121.494 120.500 -0.007 0.000 2.312 143 R HA -0.034 4.307 4.340 0.001 0.000 0.205 143 R C 0.460 176.715 176.300 -0.076 0.000 0.904 143 R CA 0.483 56.566 56.100 -0.029 0.000 1.052 143 R CB 0.225 30.512 30.300 -0.021 0.000 1.014 143 R HN 0.659 8.929 8.270 -0.000 0.000 0.503 144 D N 0.846 121.199 120.400 -0.077 0.000 2.325 144 D HA -0.020 4.621 4.640 0.001 0.000 0.225 144 D C 0.424 176.632 176.300 -0.152 0.000 1.096 144 D CA -0.156 53.778 54.000 -0.110 0.000 0.844 144 D CB -0.094 40.667 40.800 -0.064 0.000 0.925 144 D HN 0.124 8.494 8.370 -0.000 0.000 0.513 145 L N -1.619 119.514 121.223 -0.150 0.000 2.344 145 L HA 0.644 4.984 4.340 0.001 0.000 0.272 145 L C -0.691 176.050 176.870 -0.215 0.000 1.035 145 L CA -0.976 53.785 54.840 -0.132 0.000 0.807 145 L CB 1.019 43.025 42.059 -0.088 0.000 1.237 145 L HN -0.238 7.992 8.230 -0.000 0.000 0.442 146 H N 1.174 120.249 119.070 0.009 0.000 2.489 146 H HA 0.586 5.142 4.556 0.001 0.000 0.322 146 H C 0.811 176.155 175.328 0.027 0.000 1.091 146 H CA 0.276 56.336 56.048 0.019 0.000 1.291 146 H CB 2.102 31.876 29.762 0.020 0.000 1.436 146 H HN 0.955 9.235 8.280 -0.000 0.000 0.480 147 A N 3.265 126.173 122.820 0.146 0.000 1.877 147 A HA -0.160 4.161 4.320 0.001 0.000 0.216 147 A C 2.193 179.841 177.584 0.106 0.000 1.186 147 A CA 1.744 53.845 52.037 0.107 0.000 0.620 147 A CB -0.631 18.427 19.000 0.097 0.000 0.822 147 A HN 0.549 8.699 8.150 -0.000 0.000 0.443 148 V N 0.835 120.811 119.914 0.103 0.000 2.307 148 V HA -0.236 3.884 4.120 0.001 0.000 0.245 148 V C 2.276 178.418 176.094 0.080 0.000 1.045 148 V CA 2.133 64.478 62.300 0.074 0.000 1.024 148 V CB -1.015 30.840 31.823 0.053 0.000 0.651 148 V HN 0.536 8.726 8.190 -0.000 0.000 0.449 149 N N 0.214 118.972 118.700 0.096 0.000 2.223 149 N HA -0.123 4.617 4.740 0.001 0.000 0.185 149 N C 2.084 177.660 175.510 0.111 0.000 1.016 149 N CA 1.671 54.776 53.050 0.091 0.000 0.863 149 N CB -0.346 38.199 38.487 0.096 0.000 0.983 149 N HN 0.403 8.783 8.380 -0.000 0.000 0.429 150 S N 0.576 116.356 115.700 0.134 0.000 2.355 150 S HA -0.018 4.452 4.470 0.001 0.000 0.222 150 S C 2.099 176.854 174.600 0.259 0.000 1.031 150 S CA 0.988 59.318 58.200 0.216 0.000 0.993 150 S CB -0.356 62.928 63.200 0.140 0.000 0.859 150 S HN 0.493 8.803 8.310 -0.000 0.000 0.453 151 A N 1.697 124.597 122.820 0.133 0.000 1.892 151 A HA -0.097 4.223 4.320 0.001 0.000 0.218 151 A C 2.128 179.688 177.584 -0.041 0.000 1.188 151 A CA 1.399 53.434 52.037 -0.003 0.000 0.631 151 A CB -0.897 18.094 19.000 -0.015 0.000 0.822 151 A HN 0.456 8.606 8.150 -0.000 0.000 0.447 152 L N -0.930 120.312 121.223 0.032 0.000 2.083 152 L HA -0.210 4.131 4.340 0.001 0.000 0.209 152 L C 3.109 180.009 176.870 0.051 0.000 1.083 152 L CA 0.988 55.861 54.840 0.055 0.000 0.752 152 L CB -0.584 41.519 42.059 0.074 0.000 0.899 152 L HN 0.463 8.693 8.230 -0.000 0.000 0.433 153 A N 0.080 122.935 122.820 0.059 0.000 1.883 153 A HA -0.245 4.075 4.320 0.001 0.000 0.217 153 A C 2.215 179.770 177.584 -0.048 0.000 1.186 153 A CA 1.867 53.939 52.037 0.058 0.000 0.624 153 A CB -0.731 18.368 19.000 0.165 0.000 0.822 153 A HN 0.322 8.472 8.150 -0.000 0.000 0.444 154 L N -0.270 120.793 121.223 -0.266 0.000 2.017 154 L HA -0.050 4.291 4.340 0.001 0.000 0.208 154 L C 2.688 179.527 176.870 -0.052 0.000 1.073 154 L CA 2.256 56.805 54.840 -0.486 0.000 0.745 154 L CB -0.824 40.582 42.059 -1.088 0.000 0.894 154 L HN 0.346 8.576 8.230 -0.000 0.000 0.432 155 A N -0.416 122.419 122.820 0.025 0.000 1.933 155 A HA 0.076 4.396 4.320 0.001 0.000 0.218 155 A C 1.654 179.391 177.584 0.254 0.000 1.175 155 A CA 1.106 53.299 52.037 0.260 0.000 0.628 155 A CB -1.656 17.468 19.000 0.207 0.000 0.814 155 A HN 0.514 8.664 8.150 -0.000 0.000 0.444 159 N N -0.316 118.614 118.700 0.383 0.000 2.270 159 N HA -0.104 4.637 4.740 0.001 0.000 0.181 159 N C 1.509 177.181 175.510 0.270 0.000 1.016 159 N CA 2.024 55.253 53.050 0.298 0.000 0.870 159 N CB -0.064 38.572 38.487 0.247 0.000 0.979 159 N HN 0.722 9.102 8.380 -0.000 0.000 0.431 160 Y N 0.666 121.089 120.300 0.205 0.000 2.314 160 Y HA -0.119 4.432 4.550 0.001 0.000 0.293 160 Y C 2.169 178.162 175.900 0.154 0.000 1.129 160 Y CA 0.792 58.983 58.100 0.151 0.000 1.201 160 Y CB -0.458 38.082 38.460 0.134 0.000 0.999 160 Y HN -0.083 8.197 8.280 -0.000 0.000 0.541 161 F N -0.359 119.686 119.950 0.158 0.000 2.120 161 F HA -0.298 4.229 4.527 0.001 0.000 0.300 161 F C 1.600 177.234 175.800 -0.276 0.000 1.095 161 F CA 1.918 59.893 58.000 -0.042 0.000 1.249 161 F CB -0.691 38.254 39.000 -0.093 0.000 0.995 161 F HN 0.039 8.339 8.300 -0.000 0.000 0.480 162 F N -0.719 119.200 119.950 -0.052 0.000 2.187 162 F HA -0.079 4.448 4.527 0.001 0.000 0.295 162 F C 2.121 177.701 175.800 -0.367 0.000 1.091 162 F CA 0.873 58.709 58.000 -0.275 0.000 1.308 162 F CB -1.020 37.710 39.000 -0.451 0.000 1.030 162 F HN -0.007 8.293 8.300 -0.000 0.000 0.487 163 L N 0.336 121.452 121.223 -0.178 0.000 2.079 163 L HA -0.199 4.141 4.340 0.001 0.000 0.210 163 L C 2.317 178.961 176.870 -0.377 0.000 1.081 163 L CA 2.153 56.848 54.840 -0.242 0.000 0.752 163 L CB -0.946 40.994 42.059 -0.198 0.000 0.896 163 L HN 0.172 8.402 8.230 -0.000 0.000 0.433 164 S N -3.485 111.856 115.700 -0.598 0.000 2.631 164 S HA -0.018 4.452 4.470 0.001 0.000 0.217 164 S C 1.588 175.923 174.600 -0.442 0.000 0.958 164 S CA 0.463 58.321 58.200 -0.571 0.000 0.920 164 S CB -0.751 61.980 63.200 -0.782 0.000 0.776 164 S HN 0.457 8.767 8.310 -0.000 0.000 0.517 165 T N 3.567 117.803 114.554 -0.530 0.000 2.665 165 T HA -0.065 4.286 4.350 0.001 0.000 0.268 165 T C 1.560 175.941 174.700 -0.531 0.000 1.035 165 T CA 1.717 63.345 62.100 -0.787 0.000 1.151 165 T CB -0.573 67.870 68.868 -0.709 0.000 0.862 165 T HN 0.398 8.638 8.240 -0.000 0.000 0.438 166 L N 0.419 121.446 121.223 -0.326 0.000 2.191 166 L HA -0.041 4.299 4.340 0.001 0.000 0.212 166 L C 2.712 179.485 176.870 -0.162 0.000 1.103 166 L CA 1.013 55.726 54.840 -0.212 0.000 0.769 166 L CB -0.512 41.460 42.059 -0.145 0.000 0.908 166 L HN 0.262 8.492 8.230 -0.000 0.000 0.438 167 A N -0.876 121.847 122.820 -0.161 0.000 2.238 167 A HA 0.007 4.328 4.320 0.001 0.000 0.210 167 A C 1.632 179.175 177.584 -0.067 0.000 1.179 167 A CA 1.020 53.001 52.037 -0.093 0.000 0.827 167 A CB -0.291 18.668 19.000 -0.069 0.000 0.856 167 A HN 0.416 8.566 8.150 -0.000 0.000 0.488 168 T N -3.952 110.546 114.554 -0.094 0.000 3.339 168 T HA 0.230 4.580 4.350 0.001 0.000 0.292 168 T C 0.596 175.345 174.700 0.082 0.000 1.012 168 T CA -0.168 61.933 62.100 0.001 0.000 0.937 168 T CB 0.235 69.120 68.868 0.028 0.000 1.164 168 T HN 0.214 8.454 8.240 -0.000 0.000 0.509 169 E N 2.105 122.301 120.200 -0.006 0.000 2.077 169 E HA -0.035 4.315 4.350 0.001 0.000 0.193 169 E C 2.070 178.704 176.600 0.056 0.000 0.989 169 E CA 1.521 57.931 56.400 0.017 0.000 0.800 169 E CB -0.486 29.189 29.700 -0.042 0.000 0.746 169 E HN 0.691 9.051 8.360 -0.000 0.000 0.452 170 G N 0.067 108.882 108.800 0.026 0.000 3.042 170 G HA2 0.119 4.079 3.960 0.001 0.000 0.212 170 G HA3 0.119 4.079 3.960 0.001 0.000 0.212 170 G C 1.389 176.300 174.900 0.018 0.000 1.166 170 G CA -0.200 44.911 45.100 0.018 0.000 0.767 170 G HN 0.081 8.371 8.290 -0.000 0.000 0.546 171 L N -0.713 120.526 121.223 0.027 0.000 2.408 171 L HA 0.305 4.646 4.340 0.001 0.000 0.215 171 L C 1.044 177.911 176.870 -0.004 0.000 1.081 171 L CA 0.495 55.346 54.840 0.018 0.000 0.840 171 L CB 0.566 42.642 42.059 0.030 0.000 1.002 171 L HN 0.156 8.386 8.230 -0.000 0.000 0.468 172 T N -1.685 112.844 114.554 -0.041 0.000 2.802 172 T HA 0.213 4.563 4.350 0.001 0.000 0.311 172 T C -1.122 173.448 174.700 -0.217 0.000 1.405 172 T CA -0.399 61.630 62.100 -0.119 0.000 1.016 172 T CB 1.965 70.757 68.868 -0.126 0.000 1.352 172 T HN -0.091 8.149 8.240 -0.000 0.000 0.498 173 S N 0.497 116.091 115.700 -0.176 0.000 2.548 173 S HA 0.309 4.779 4.470 0.001 0.000 0.277 173 S C -0.094 174.347 174.600 -0.266 0.000 1.315 173 S CA 0.094 58.215 58.200 -0.131 0.000 1.050 173 S CB 0.087 63.252 63.200 -0.058 0.000 0.918 173 S HN 0.758 9.068 8.310 -0.000 0.000 0.497 174 H N 1.886 120.964 119.070 0.013 0.000 2.486 174 H HA 0.330 4.886 4.556 0.001 0.000 0.284 174 H C 0.540 175.902 175.328 0.056 0.000 1.103 174 H CA -0.064 56.002 56.048 0.030 0.000 1.089 174 H CB 0.394 30.056 29.762 -0.167 0.000 1.603 174 H HN 0.493 8.773 8.280 -0.000 0.000 0.557 175 S N 1.673 117.437 115.700 0.107 0.000 2.549 175 S HA 0.027 4.498 4.470 0.001 0.000 0.283 175 S C -1.325 173.321 174.600 0.077 0.000 1.320 175 S CA -1.202 57.045 58.200 0.078 0.000 1.058 175 S CB 0.879 64.102 63.200 0.039 0.000 0.882 175 S HN 0.091 8.401 8.310 -0.000 0.000 0.498 176 P HA -0.061 4.359 4.420 -0.000 0.000 0.219 176 P C 0.651 177.970 177.300 0.032 0.000 1.146 176 P CA 0.881 64.025 63.100 0.073 0.000 0.808 176 P CB 0.003 31.743 31.700 0.066 0.000 0.779 177 D N -0.697 119.715 120.400 0.020 0.000 2.228 177 D HA -0.165 4.476 4.640 0.001 0.000 0.203 177 D C 1.548 177.838 176.300 -0.016 0.000 0.988 177 D CA 1.124 55.125 54.000 0.002 0.000 0.864 177 D CB -0.337 40.464 40.800 0.001 0.000 0.928 177 D HN 0.247 8.617 8.370 -0.000 0.000 0.469 178 Q N 0.055 119.840 119.800 -0.024 0.000 2.247 178 Q HA 0.044 4.385 4.340 0.001 0.000 0.204 178 Q C 0.751 176.685 176.000 -0.110 0.000 0.872 178 Q CA 0.061 55.825 55.803 -0.065 0.000 0.951 178 Q CB 0.674 29.368 28.738 -0.073 0.000 1.099 178 Q HN 0.268 8.538 8.270 -0.000 0.000 0.501 179 D N 1.146 121.504 120.400 -0.071 0.000 2.144 179 D HA -0.143 4.498 4.640 0.001 0.000 0.199 179 D C 1.514 177.749 176.300 -0.108 0.000 0.984 179 D CA 0.920 54.867 54.000 -0.088 0.000 0.834 179 D CB 0.434 41.237 40.800 0.005 0.000 0.955 179 D HN 0.187 8.557 8.370 -0.000 0.000 0.465 180 E N 0.467 120.624 120.200 -0.071 0.000 2.150 180 E HA -0.164 4.187 4.350 0.001 0.000 0.193 180 E C 1.951 178.500 176.600 -0.084 0.000 0.985 180 E CA 0.612 56.976 56.400 -0.060 0.000 0.814 180 E CB -0.014 29.666 29.700 -0.034 0.000 0.752 180 E HN 0.304 8.664 8.360 -0.000 0.000 0.466 181 E N 0.949 121.087 120.200 -0.103 0.000 2.150 181 E HA -0.134 4.217 4.350 0.001 0.000 0.193 181 E C 2.014 178.498 176.600 -0.194 0.000 0.985 181 E CA 0.407 56.737 56.400 -0.117 0.000 0.814 181 E CB -0.271 29.367 29.700 -0.104 0.000 0.752 181 E HN 0.124 8.484 8.360 -0.000 0.000 0.466 182 L N 0.318 121.360 121.223 -0.302 0.000 2.017 182 L HA -0.075 4.265 4.340 0.001 0.000 0.208 182 L C 2.163 178.785 176.870 -0.413 0.000 1.073 182 L CA 1.626 56.144 54.840 -0.537 0.000 0.745 182 L CB -0.421 41.169 42.059 -0.782 0.000 0.894 182 L HN 0.261 8.491 8.230 -0.000 0.000 0.432 183 I N -0.697 119.738 120.570 -0.225 0.000 2.163 183 I HA -0.357 3.813 4.170 0.001 0.000 0.243 183 I C 2.754 178.860 176.117 -0.019 0.000 1.085 183 I CA 1.701 62.952 61.300 -0.082 0.000 1.347 183 I CB -0.480 37.498 38.000 -0.038 0.000 1.044 183 I HN 0.325 8.535 8.210 -0.000 0.000 0.408 184 R N 0.960 121.438 120.500 -0.037 0.000 2.083 184 R HA -0.249 4.091 4.340 0.001 0.000 0.237 184 R C 2.303 178.621 176.300 0.030 0.000 1.137 184 R CA 1.977 58.079 56.100 0.003 0.000 0.951 184 R CB -0.248 30.044 30.300 -0.013 0.000 0.851 184 R HN 0.446 8.716 8.270 -0.000 0.000 0.434 185 Q N -1.088 118.703 119.800 -0.015 0.000 2.084 185 Q HA -0.189 4.151 4.340 0.001 0.000 0.202 185 Q C 1.843 177.998 176.000 0.258 0.000 0.978 185 Q CA 1.519 57.356 55.803 0.056 0.000 0.844 185 Q CB -0.083 28.629 28.738 -0.042 0.000 0.898 185 Q HN 0.423 8.693 8.270 -0.000 0.000 0.426 186 Y N -0.551 119.747 120.300 -0.004 0.000 2.337 186 Y HA -0.082 4.468 4.550 0.001 0.000 0.293 186 Y C 2.252 178.209 175.900 0.094 0.000 1.123 186 Y CA -0.159 57.961 58.100 0.032 0.000 1.201 186 Y CB -0.490 37.967 38.460 -0.006 0.000 1.011 186 Y HN -0.094 8.186 8.280 -0.000 0.000 0.545 187 V N -0.014 120.044 119.914 0.241 0.000 2.332 187 V HA -0.332 3.788 4.120 0.001 0.000 0.248 187 V C 2.552 178.764 176.094 0.196 0.000 1.055 187 V CA 1.808 64.236 62.300 0.214 0.000 1.038 187 V CB -1.286 30.630 31.823 0.155 0.000 0.651 187 V HN 0.385 8.575 8.190 -0.000 0.000 0.450 188 A N -0.127 122.786 122.820 0.156 0.000 1.858 188 A HA -0.170 4.150 4.320 0.001 0.000 0.216 188 A C 2.171 179.824 177.584 0.115 0.000 1.190 188 A CA 1.966 54.073 52.037 0.116 0.000 0.617 188 A CB -0.551 18.505 19.000 0.093 0.000 0.827 188 A HN 0.489 8.639 8.150 -0.000 0.000 0.443 189 I N -1.922 118.734 120.570 0.142 0.000 2.163 189 I HA -0.249 3.922 4.170 0.001 0.000 0.243 189 I C 2.375 178.561 176.117 0.115 0.000 1.085 189 I CA 1.689 63.054 61.300 0.107 0.000 1.347 189 I CB -0.365 37.687 38.000 0.088 0.000 1.044 189 I HN 0.409 8.619 8.210 -0.000 0.000 0.408 190 F N 1.779 121.721 119.950 -0.012 0.000 2.186 190 F HA -0.229 4.298 4.527 0.001 0.000 0.299 190 F C 2.754 178.514 175.800 -0.066 0.000 1.090 190 F CA 2.028 59.999 58.000 -0.048 0.000 1.307 190 F CB -0.573 38.407 39.000 -0.033 0.000 1.019 190 F HN 0.149 8.449 8.300 -0.000 0.000 0.489 191 T N -2.592 111.937 114.554 -0.041 0.000 2.976 191 T HA 0.070 4.420 4.350 0.001 0.000 0.257 191 T C 1.908 176.559 174.700 -0.081 0.000 1.051 191 T CA 0.697 62.721 62.100 -0.127 0.000 1.141 191 T CB -0.153 68.746 68.868 0.052 0.000 0.881 191 T HN 0.288 8.528 8.240 -0.000 0.000 0.461 192 R N 0.466 120.952 120.500 -0.022 0.000 2.487 192 R HA 0.486 4.826 4.340 0.001 0.000 0.272 192 R C 1.235 177.529 176.300 -0.010 0.000 0.928 192 R CA 0.205 56.301 56.100 -0.006 0.000 1.077 192 R CB 0.870 31.183 30.300 0.023 0.000 1.265 192 R HN 0.530 8.800 8.270 -0.000 0.000 0.537 193 G N 2.180 110.974 108.800 -0.011 0.000 2.750 193 G HA2 -0.279 3.682 3.960 0.001 0.000 0.228 193 G HA3 -0.279 3.682 3.960 0.001 0.000 0.228 193 G C 0.011 174.921 174.900 0.017 0.000 1.367 193 G CA -0.114 44.983 45.100 -0.004 0.000 0.871 193 G HN 0.265 8.555 8.290 -0.000 0.000 0.560 196 A N 0.000 122.826 122.820 0.010 0.000 2.254 196 A HA 0.000 4.320 4.320 0.001 0.000 0.244 196 A CA 0.000 52.043 52.037 0.011 0.000 0.836 196 A CB 0.000 19.006 19.000 0.009 0.000 0.831 196 A HN 0.000 8.150 8.150 -0.000 0.000 0.486