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 3lce_1_C DATA FIRST_RESID 21 DATA SEQUENCE SITENTSWNK EFSAEAVNGV FVLcKSSSKS cATNDLARAS KEYLPASTFX DATA SEQUENCE IPNAIIGLET GVIKNEHQVF KWDGKPRAMK QWERDLTLRG AIQVSAVPVF DATA SEQUENCE QQIAREVGEV RMQKYLKKFS YGNQNISGGI DKFWLEGQLR ISAVNQVEFL DATA SEQUENCE ESLYLNKLSA SKENQLIVKE ALVTEAAPEY LVHSKTGFSG VGTESNPGVA DATA SEQUENCE WWVGWVEKET EVYFFAFNMD IDNESKLPLR KSIPTKIMES EGIIGG 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 21 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 21 S C 0.000 174.603 174.600 0.006 0.000 1.055 21 S CA 0.000 58.202 58.200 0.004 0.000 1.107 21 S CB 0.000 63.201 63.200 0.001 0.000 0.593 22 I N 5.222 125.797 120.570 0.008 0.000 2.752 22 I HA 0.241 4.413 4.170 0.003 0.000 0.289 22 I C 0.756 176.870 176.117 -0.005 0.000 1.197 22 I CA 0.865 62.172 61.300 0.011 0.000 1.432 22 I CB 0.797 38.809 38.000 0.019 0.000 1.359 22 I HN 0.695 8.905 8.210 -0.000 0.000 0.571 23 T N 3.163 117.707 114.554 -0.016 0.000 2.945 23 T HA 0.398 4.749 4.350 0.003 0.000 0.286 23 T C -0.411 174.239 174.700 -0.083 0.000 1.025 23 T CA -0.858 61.215 62.100 -0.045 0.000 1.039 23 T CB 1.614 70.453 68.868 -0.049 0.000 1.068 23 T HN 0.682 8.922 8.240 -0.000 0.000 0.497 24 E N 1.120 121.260 120.200 -0.100 0.000 2.197 24 E HA 0.253 4.604 4.350 0.003 0.000 0.281 24 E C -0.822 175.639 176.600 -0.232 0.000 0.995 24 E CA -0.708 55.609 56.400 -0.138 0.000 0.808 24 E CB 0.638 30.286 29.700 -0.087 0.000 1.093 24 E HN 0.600 8.960 8.360 -0.000 0.000 0.394 25 N N 2.972 121.431 118.700 -0.401 0.000 2.696 25 N HA 0.055 4.797 4.740 0.003 0.000 0.246 25 N C 0.196 175.453 175.510 -0.421 0.000 1.057 25 N CA -0.159 52.552 53.050 -0.564 0.000 0.867 25 N CB 1.043 38.829 38.487 -1.168 0.000 1.141 25 N HN 0.512 8.892 8.380 -0.000 0.000 0.517 26 T N -1.379 113.060 114.554 -0.191 0.000 3.035 26 T HA -0.136 4.216 4.350 0.003 0.000 0.268 26 T C 1.765 176.474 174.700 0.015 0.000 1.109 26 T CA 1.183 63.248 62.100 -0.060 0.000 1.119 26 T CB -0.220 68.627 68.868 -0.034 0.000 0.900 26 T HN 0.370 8.610 8.240 -0.000 0.000 0.503 27 S N -0.182 115.503 115.700 -0.024 0.000 2.507 27 S HA -0.080 4.392 4.470 0.003 0.000 0.235 27 S C 1.427 176.204 174.600 0.294 0.000 0.988 27 S CA 0.037 58.294 58.200 0.095 0.000 0.944 27 S CB -0.856 62.389 63.200 0.074 0.000 0.762 27 S HN 0.642 8.952 8.310 -0.000 0.000 0.526 28 W N 2.392 123.786 121.300 0.157 0.000 2.678 28 W HA 0.322 4.983 4.660 0.002 0.000 0.256 28 W C 1.697 178.411 176.519 0.324 0.000 1.280 28 W CA -0.781 56.707 57.345 0.238 0.000 1.345 28 W CB -1.264 28.398 29.460 0.336 0.000 1.118 28 W HN 0.359 8.539 8.180 -0.000 0.000 0.629 29 N N 1.095 120.065 118.700 0.452 0.000 2.223 29 N HA -0.164 4.578 4.740 0.003 0.000 0.185 29 N C 1.757 177.485 175.510 0.365 0.000 1.016 29 N CA 1.714 54.994 53.050 0.384 0.000 0.863 29 N CB -0.445 38.141 38.487 0.165 0.000 0.983 29 N HN 0.404 8.784 8.380 -0.000 0.000 0.429 30 K N 0.873 121.428 120.400 0.258 0.000 2.281 30 K HA -0.072 4.250 4.320 0.003 0.000 0.203 30 K C 1.017 177.707 176.600 0.150 0.000 1.046 30 K CA 1.026 57.418 56.287 0.175 0.000 0.938 30 K CB 0.035 32.611 32.500 0.127 0.000 0.737 30 K HN 0.037 8.287 8.250 -0.000 0.000 0.458 31 E N 0.495 120.795 120.200 0.167 0.000 2.208 31 E HA -0.075 4.277 4.350 0.003 0.000 0.193 31 E C 1.737 178.287 176.600 -0.083 0.000 0.988 31 E CA 0.910 57.297 56.400 -0.022 0.000 0.828 31 E CB -0.182 29.410 29.700 -0.180 0.000 0.763 31 E HN 0.443 8.803 8.360 -0.000 0.000 0.478 32 F N 1.338 121.336 119.950 0.080 0.000 2.147 32 F HA -0.120 4.408 4.527 0.003 0.000 0.291 32 F C 2.823 178.654 175.800 0.052 0.000 1.093 32 F CA 1.101 59.150 58.000 0.082 0.000 1.263 32 F CB -0.546 38.515 39.000 0.102 0.000 1.036 32 F HN -0.024 8.276 8.300 -0.000 0.000 0.481 33 S N 0.713 116.563 115.700 0.250 0.000 2.383 33 S HA -0.149 4.323 4.470 0.003 0.000 0.227 33 S C 2.176 176.829 174.600 0.089 0.000 1.026 33 S CA 0.740 59.026 58.200 0.143 0.000 0.981 33 S CB -0.976 62.291 63.200 0.113 0.000 0.818 33 S HN 0.250 8.560 8.310 -0.000 0.000 0.472 34 A N 1.592 124.455 122.820 0.071 0.000 2.032 34 A HA -0.096 4.226 4.320 0.003 0.000 0.221 34 A C 1.953 179.544 177.584 0.012 0.000 1.165 34 A CA 1.575 53.629 52.037 0.029 0.000 0.645 34 A CB -0.339 18.664 19.000 0.006 0.000 0.807 34 A HN 0.581 8.731 8.150 -0.000 0.000 0.453 35 E N -1.725 118.487 120.200 0.020 0.000 2.548 35 E HA 0.393 4.745 4.350 0.003 0.000 0.206 35 E C 0.533 177.153 176.600 0.033 0.000 1.005 35 E CA 0.453 56.855 56.400 0.004 0.000 0.951 35 E CB 0.053 29.736 29.700 -0.028 0.000 1.035 35 E HN 0.768 9.128 8.360 -0.000 0.000 0.470 36 A N 1.046 123.898 122.820 0.054 0.000 2.704 36 A HA -0.190 4.132 4.320 0.003 0.000 0.299 36 A C 0.609 178.241 177.584 0.080 0.000 1.507 36 A CA 0.941 53.015 52.037 0.062 0.000 0.776 36 A CB -2.479 16.544 19.000 0.039 0.000 1.027 36 A HN 0.243 8.393 8.150 -0.000 0.000 0.475 37 V N -2.620 117.371 119.914 0.128 0.000 2.715 37 V HA 0.830 4.952 4.120 0.003 0.000 0.310 37 V C -0.127 176.081 176.094 0.191 0.000 1.054 37 V CA -1.495 60.897 62.300 0.154 0.000 0.928 37 V CB 2.043 33.975 31.823 0.182 0.000 1.007 37 V HN 0.388 8.578 8.190 -0.000 0.000 0.437 38 N N 2.258 121.023 118.700 0.108 0.000 2.419 38 N HA 0.833 5.574 4.740 0.003 0.000 0.277 38 N C 0.100 175.601 175.510 -0.016 0.000 1.006 38 N CA 0.483 53.553 53.050 0.032 0.000 0.923 38 N CB 1.830 40.316 38.487 -0.003 0.000 1.140 38 N HN 1.330 9.710 8.380 -0.000 0.000 0.488 39 G N -0.672 108.040 108.800 -0.146 0.000 2.430 39 G HA2 0.465 4.427 3.960 0.003 0.000 0.300 39 G HA3 0.465 4.427 3.960 0.003 0.000 0.300 39 G C -1.908 172.707 174.900 -0.476 0.000 1.330 39 G CA -0.355 44.596 45.100 -0.248 0.000 0.813 39 G HN 0.404 8.694 8.290 -0.000 0.000 0.487 40 V N -0.438 119.265 119.914 -0.351 0.000 2.971 40 V HA 0.844 4.966 4.120 0.003 0.000 0.309 40 V C -1.938 174.300 176.094 0.239 0.000 1.130 40 V CA -0.918 61.303 62.300 -0.131 0.000 0.964 40 V CB 1.954 33.726 31.823 -0.084 0.000 1.029 40 V HN 1.057 9.247 8.190 -0.000 0.000 0.427 41 F N 5.479 125.655 119.950 0.377 0.000 2.529 41 F HA 0.813 5.341 4.527 0.003 0.000 0.320 41 F C -0.776 175.304 175.800 0.467 0.000 1.118 41 F CA -0.888 57.417 58.000 0.509 0.000 0.915 41 F CB 2.039 41.395 39.000 0.592 0.000 1.161 41 F HN 0.328 8.628 8.300 -0.000 0.000 0.445 42 V N 7.048 126.948 119.914 -0.023 0.000 2.448 42 V HA 0.585 4.707 4.120 0.003 0.000 0.295 42 V C -1.239 174.660 176.094 -0.324 0.000 1.025 42 V CA -0.746 61.527 62.300 -0.046 0.000 0.859 42 V CB 1.634 33.515 31.823 0.097 0.000 0.988 42 V HN 0.645 8.835 8.190 -0.000 0.000 0.431 43 L N 6.023 127.162 121.223 -0.140 0.000 2.439 43 L HA 0.763 5.105 4.340 0.003 0.000 0.270 43 L C -0.963 176.007 176.870 0.168 0.000 0.972 43 L CA 0.157 54.958 54.840 -0.065 0.000 0.836 43 L CB 1.597 43.576 42.059 -0.134 0.000 1.255 43 L HN 0.765 8.995 8.230 -0.000 0.000 0.404 44 c N 4.082 122.819 118.600 0.228 0.000 2.364 44 c HA 0.516 5.088 4.570 0.003 0.000 0.324 44 c C -0.159 174.079 174.090 0.246 0.000 1.234 44 c CA -1.091 55.380 56.329 0.235 0.000 1.417 44 c CB 1.190 43.844 42.510 0.239 0.000 2.101 44 c HN 0.813 9.043 8.230 -0.000 0.000 0.466 45 K N 2.267 122.778 120.400 0.185 0.000 2.227 45 K HA 0.398 4.719 4.320 0.003 0.000 0.280 45 K C 0.951 177.511 176.600 -0.068 0.000 1.041 45 K CA 0.672 56.962 56.287 0.004 0.000 0.905 45 K CB 0.575 33.141 32.500 0.110 0.000 1.068 45 K HN 0.914 9.164 8.250 -0.000 0.000 0.470 46 S N 1.940 117.505 115.700 -0.224 0.000 1.616 46 S HA -0.254 4.218 4.470 0.003 0.000 0.237 46 S C -0.209 174.438 174.600 0.078 0.000 0.811 46 S CA 1.779 59.909 58.200 -0.116 0.000 1.381 46 S CB -1.437 61.716 63.200 -0.079 0.000 1.728 46 S HN 1.112 9.422 8.310 -0.000 0.000 0.522 47 S N -0.350 115.421 115.700 0.118 0.000 2.661 47 S HA 0.634 5.106 4.470 0.003 0.000 0.268 47 S C 0.536 175.161 174.600 0.041 0.000 1.162 47 S CA 0.464 58.719 58.200 0.091 0.000 0.817 47 S CB 0.994 64.196 63.200 0.004 0.000 1.141 47 S HN 1.384 9.694 8.310 -0.000 0.000 0.477 48 S N -0.058 115.591 115.700 -0.085 0.000 2.603 48 S HA 0.092 4.564 4.470 0.003 0.000 0.229 48 S C 0.901 175.488 174.600 -0.023 0.000 0.972 48 S CA 0.052 58.212 58.200 -0.066 0.000 0.935 48 S CB -0.459 62.659 63.200 -0.137 0.000 0.769 48 S HN 0.552 8.862 8.310 -0.000 0.000 0.536 49 K N 1.508 121.901 120.400 -0.013 0.000 2.459 49 K HA 0.269 4.591 4.320 0.003 0.000 0.193 49 K C 0.051 176.661 176.600 0.017 0.000 1.030 49 K CA 0.121 56.407 56.287 -0.001 0.000 1.026 49 K CB 0.008 32.505 32.500 -0.005 0.000 0.809 49 K HN 0.331 8.581 8.250 -0.000 0.000 0.504 50 S N 0.797 116.518 115.700 0.035 0.000 2.128 50 S HA 0.223 4.695 4.470 0.003 0.000 0.157 50 S C -0.617 174.030 174.600 0.079 0.000 1.650 50 S CA -0.760 57.471 58.200 0.052 0.000 1.269 50 S CB 0.229 63.463 63.200 0.057 0.000 1.227 50 S HN 0.103 8.413 8.310 -0.000 0.000 0.405 51 c N 2.161 120.801 118.600 0.067 0.000 2.397 51 c HA 0.973 5.545 4.570 0.003 0.000 0.343 51 c C 0.718 174.853 174.090 0.076 0.000 1.188 51 c CA -0.528 55.854 56.329 0.088 0.000 1.992 51 c CB 0.720 43.273 42.510 0.071 0.000 2.358 51 c HN 0.765 8.995 8.230 -0.000 0.000 0.518 52 A N 1.408 124.295 122.820 0.113 0.000 2.435 52 A HA 0.911 5.232 4.320 0.003 0.000 0.304 52 A C -0.580 177.076 177.584 0.120 0.000 1.064 52 A CA -0.305 51.758 52.037 0.043 0.000 0.727 52 A CB 1.830 20.841 19.000 0.018 0.000 1.284 52 A HN 0.852 9.002 8.150 -0.000 0.000 0.415 53 T N -0.307 114.244 114.554 -0.005 0.000 2.868 53 T HA 0.342 4.693 4.350 0.003 0.000 0.306 53 T C 0.632 175.365 174.700 0.055 0.000 1.224 53 T CA -0.039 62.178 62.100 0.195 0.000 1.012 53 T CB 1.060 70.015 68.868 0.144 0.000 1.221 53 T HN 0.837 9.077 8.240 -0.000 0.000 0.499 54 N N 1.878 120.774 118.700 0.328 0.000 2.396 54 N HA -0.017 4.724 4.740 0.003 0.000 0.180 54 N C -0.152 175.364 175.510 0.011 0.000 1.028 54 N CA 0.703 53.859 53.050 0.177 0.000 0.893 54 N CB 0.177 38.871 38.487 0.346 0.000 0.967 54 N HN 0.607 8.987 8.380 -0.000 0.000 0.440 55 D N -0.142 120.263 120.400 0.007 0.000 2.323 55 D HA 0.220 4.862 4.640 0.003 0.000 0.242 55 D C 0.747 177.044 176.300 -0.006 0.000 1.347 55 D CA -0.423 53.556 54.000 -0.035 0.000 0.988 55 D CB 0.833 41.576 40.800 -0.095 0.000 1.314 55 D HN -0.086 8.284 8.370 -0.000 0.000 0.564 56 L N 2.022 123.240 121.223 -0.009 0.000 2.083 56 L HA -0.103 4.239 4.340 0.003 0.000 0.209 56 L C 2.384 179.260 176.870 0.010 0.000 1.083 56 L CA 1.577 56.419 54.840 0.003 0.000 0.752 56 L CB -0.098 41.957 42.059 -0.007 0.000 0.899 56 L HN 0.444 8.674 8.230 -0.000 0.000 0.433 57 A N -0.244 122.577 122.820 0.002 0.000 1.872 57 A HA -0.197 4.124 4.320 0.003 0.000 0.214 57 A C 2.400 179.997 177.584 0.023 0.000 1.187 57 A CA 1.322 53.363 52.037 0.007 0.000 0.614 57 A CB -0.452 18.547 19.000 -0.002 0.000 0.826 57 A HN 0.306 8.456 8.150 -0.000 0.000 0.442 58 R N -0.363 120.150 120.500 0.022 0.000 2.189 58 R HA 0.028 4.370 4.340 0.003 0.000 0.218 58 R C 2.064 178.420 176.300 0.094 0.000 1.074 58 R CA 0.997 57.134 56.100 0.062 0.000 0.991 58 R CB -0.284 30.025 30.300 0.016 0.000 0.883 58 R HN 0.444 8.714 8.270 -0.000 0.000 0.457 59 A N 0.215 123.076 122.820 0.069 0.000 2.019 59 A HA -0.133 4.189 4.320 0.003 0.000 0.219 59 A C 1.929 179.580 177.584 0.111 0.000 1.164 59 A CA 1.755 53.850 52.037 0.097 0.000 0.644 59 A CB -0.254 18.797 19.000 0.084 0.000 0.805 59 A HN 0.498 8.648 8.150 -0.000 0.000 0.449 60 S N -1.272 114.476 115.700 0.080 0.000 2.540 60 S HA 0.228 4.699 4.470 0.003 0.000 0.218 60 S C 0.498 175.129 174.600 0.052 0.000 0.977 60 S CA -0.439 57.800 58.200 0.065 0.000 0.918 60 S CB -0.059 63.162 63.200 0.035 0.000 0.806 60 S HN 0.439 8.749 8.310 -0.000 0.000 0.496 61 K N 1.891 122.327 120.400 0.060 0.000 2.326 61 K HA 0.240 4.562 4.320 0.003 0.000 0.275 61 K C -0.322 176.244 176.600 -0.057 0.000 1.018 61 K CA 0.208 56.470 56.287 -0.042 0.000 0.962 61 K CB 0.523 32.970 32.500 -0.088 0.000 0.953 61 K HN 0.455 8.705 8.250 -0.000 0.000 0.475 62 E N 2.171 122.248 120.200 -0.205 0.000 2.166 62 E HA 0.250 4.602 4.350 0.003 0.000 0.275 62 E C -1.139 175.328 176.600 -0.220 0.000 0.941 62 E CA -0.525 55.841 56.400 -0.057 0.000 0.784 62 E CB 1.039 30.730 29.700 -0.015 0.000 1.115 62 E HN 0.343 8.703 8.360 -0.000 0.000 0.399 63 Y N 0.641 121.100 120.300 0.264 0.000 2.570 63 Y HA 0.259 4.811 4.550 0.003 0.000 0.345 63 Y C -0.149 175.990 175.900 0.398 0.000 1.014 63 Y CA -1.295 56.974 58.100 0.282 0.000 1.063 63 Y CB 1.145 39.727 38.460 0.203 0.000 1.272 63 Y HN 0.420 8.700 8.280 -0.000 0.000 0.477 64 L N 5.776 127.289 121.223 0.482 0.000 2.578 64 L HA 0.075 4.416 4.340 0.003 0.000 0.279 64 L C -1.660 175.552 176.870 0.571 0.000 1.227 64 L CA -0.756 54.326 54.840 0.404 0.000 0.900 64 L CB 0.564 42.800 42.059 0.296 0.000 1.144 64 L HN 0.432 8.662 8.230 -0.000 0.000 0.496 65 P HA 0.000 4.420 4.420 -0.000 0.000 0.231 65 P C 0.701 178.116 177.300 0.192 0.000 1.168 65 P CA 1.038 64.227 63.100 0.148 0.000 0.779 65 P CB 0.019 31.850 31.700 0.219 0.000 0.844 66 A N 0.562 123.590 122.820 0.347 0.000 5.684 66 A HA -0.282 4.040 4.320 0.003 0.000 0.306 66 A C 1.835 179.646 177.584 0.378 0.000 1.885 66 A CA 1.851 54.100 52.037 0.355 0.000 0.721 66 A CB -2.367 16.845 19.000 0.353 0.000 1.295 66 A HN 0.204 8.354 8.150 -0.000 0.000 0.386 67 S N 0.292 116.168 115.700 0.294 0.000 2.537 67 S HA -0.029 4.443 4.470 0.003 0.000 0.240 67 S C 1.838 176.460 174.600 0.037 0.000 0.981 67 S CA 1.926 60.225 58.200 0.165 0.000 0.948 67 S CB -0.818 62.465 63.200 0.140 0.000 0.759 67 S HN 1.612 9.922 8.310 -0.000 0.000 0.531 68 T N -0.565 114.015 114.554 0.043 0.000 3.007 68 T HA 0.021 4.373 4.350 0.003 0.000 0.270 68 T C 0.602 175.255 174.700 -0.079 0.000 1.107 68 T CA 0.168 62.233 62.100 -0.060 0.000 1.118 68 T CB -0.520 68.202 68.868 -0.244 0.000 0.889 68 T HN 0.242 8.482 8.240 -0.000 0.000 0.506 72 P HA -0.138 4.282 4.420 -0.000 0.000 0.217 72 P C 1.016 178.076 177.300 -0.401 0.000 1.150 72 P CA 1.861 64.782 63.100 -0.298 0.000 0.832 72 P CB -0.265 30.988 31.700 -0.745 0.000 0.787 73 N N -0.098 118.125 118.700 -0.795 0.000 2.120 73 N HA -0.150 4.592 4.740 0.003 0.000 0.188 73 N C 1.884 177.327 175.510 -0.113 0.000 1.024 73 N CA 1.120 53.888 53.050 -0.470 0.000 0.852 73 N CB -0.236 37.916 38.487 -0.559 0.000 1.003 73 N HN -0.031 8.349 8.380 -0.000 0.000 0.424 74 A N 1.351 124.166 122.820 -0.007 0.000 1.883 74 A HA -0.137 4.185 4.320 0.003 0.000 0.217 74 A C 2.115 179.695 177.584 -0.008 0.000 1.186 74 A CA 1.101 53.191 52.037 0.089 0.000 0.624 74 A CB -0.738 18.343 19.000 0.134 0.000 0.822 74 A HN 0.342 8.492 8.150 -0.000 0.000 0.444 75 I N -0.371 120.179 120.570 -0.034 0.000 2.208 75 I HA -0.288 3.884 4.170 0.003 0.000 0.245 75 I C 2.311 178.372 176.117 -0.093 0.000 1.097 75 I CA 1.514 62.795 61.300 -0.033 0.000 1.363 75 I CB -0.372 37.623 38.000 -0.008 0.000 1.051 75 I HN 0.317 8.527 8.210 -0.000 0.000 0.413 76 I N 0.598 121.084 120.570 -0.140 0.000 2.252 76 I HA -0.182 3.990 4.170 0.003 0.000 0.245 76 I C 2.694 178.670 176.117 -0.234 0.000 1.102 76 I CA 1.465 62.548 61.300 -0.361 0.000 1.385 76 I CB -0.864 36.970 38.000 -0.276 0.000 1.064 76 I HN 0.260 8.470 8.210 -0.000 0.000 0.414 77 G N 1.207 109.937 108.800 -0.116 0.000 2.440 77 G HA2 -0.205 3.757 3.960 0.003 0.000 0.218 77 G HA3 -0.205 3.757 3.960 0.003 0.000 0.218 77 G C 1.703 176.573 174.900 -0.049 0.000 1.154 77 G CA 0.629 45.691 45.100 -0.064 0.000 0.767 77 G HN 0.251 8.541 8.290 -0.000 0.000 0.552 78 L N 0.007 121.199 121.223 -0.051 0.000 2.005 78 L HA -0.027 4.315 4.340 0.003 0.000 0.207 78 L C 2.973 179.811 176.870 -0.054 0.000 1.072 78 L CA 1.095 55.911 54.840 -0.039 0.000 0.744 78 L CB -0.377 41.665 42.059 -0.028 0.000 0.895 78 L HN 0.091 8.321 8.230 -0.000 0.000 0.433 79 E N 0.031 120.167 120.200 -0.108 0.000 2.097 79 E HA -0.230 4.121 4.350 0.003 0.000 0.196 79 E C 2.212 178.795 176.600 -0.028 0.000 1.000 79 E CA 2.123 58.468 56.400 -0.093 0.000 0.804 79 E CB -0.499 29.037 29.700 -0.274 0.000 0.740 79 E HN 0.599 8.959 8.360 -0.000 0.000 0.454 80 T N -3.144 111.375 114.554 -0.059 0.000 3.085 80 T HA 0.163 4.515 4.350 0.003 0.000 0.263 80 T C 1.561 176.273 174.700 0.020 0.000 1.127 80 T CA 1.058 63.173 62.100 0.025 0.000 1.103 80 T CB 0.141 69.030 68.868 0.035 0.000 0.921 80 T HN 0.289 8.529 8.240 -0.000 0.000 0.510 81 G N 0.341 109.142 108.800 0.001 0.000 2.179 81 G HA2 -0.319 3.643 3.960 0.003 0.000 0.260 81 G HA3 -0.319 3.643 3.960 0.003 0.000 0.260 81 G C 0.942 175.845 174.900 0.006 0.000 0.977 81 G CA 0.257 45.359 45.100 0.004 0.000 0.641 81 G HN 0.538 8.828 8.290 -0.000 0.000 0.533 82 V N 0.458 120.377 119.914 0.009 0.000 2.392 82 V HA -0.005 4.116 4.120 0.003 0.000 0.249 82 V C 1.733 177.843 176.094 0.027 0.000 1.059 82 V CA 1.981 64.293 62.300 0.019 0.000 1.051 82 V CB -0.230 31.605 31.823 0.021 0.000 0.658 82 V HN 0.530 8.720 8.190 -0.000 0.000 0.455 83 I N 0.378 120.962 120.570 0.025 0.000 2.315 83 I HA 0.171 4.343 4.170 0.003 0.000 0.291 83 I C 1.285 177.396 176.117 -0.010 0.000 1.006 83 I CA -0.033 61.292 61.300 0.042 0.000 1.265 83 I CB 1.324 39.379 38.000 0.091 0.000 1.387 83 I HN 0.036 8.246 8.210 -0.000 0.000 0.475 84 K N 5.043 125.413 120.400 -0.050 0.000 2.025 84 K HA -0.127 4.195 4.320 0.003 0.000 0.207 84 K C 0.266 176.841 176.600 -0.041 0.000 1.049 84 K CA 1.516 57.775 56.287 -0.047 0.000 0.933 84 K CB 0.211 32.673 32.500 -0.064 0.000 0.714 84 K HN 0.888 9.138 8.250 -0.000 0.000 0.438 85 N N -2.810 115.856 118.700 -0.056 0.000 3.378 85 N HA -0.096 4.646 4.740 0.003 0.000 0.294 85 N C 0.142 175.599 175.510 -0.087 0.000 1.544 85 N CA -0.420 52.593 53.050 -0.060 0.000 0.872 85 N CB 0.388 38.844 38.487 -0.051 0.000 1.670 85 N HN 0.002 8.382 8.380 -0.000 0.000 0.551 86 E N -1.299 118.808 120.200 -0.156 0.000 2.204 86 E HA -0.221 4.130 4.350 0.003 0.000 0.195 86 E C 0.037 176.502 176.600 -0.225 0.000 0.990 86 E CA 1.154 57.427 56.400 -0.211 0.000 0.821 86 E CB -0.396 29.106 29.700 -0.330 0.000 0.750 86 E HN 0.563 8.923 8.360 -0.000 0.000 0.477 87 H N 0.625 119.681 119.070 -0.022 0.000 2.526 87 H HA 0.117 4.674 4.556 0.003 0.000 0.274 87 H C 0.194 175.467 175.328 -0.091 0.000 0.999 87 H CA 0.130 56.157 56.048 -0.035 0.000 1.157 87 H CB -0.211 29.534 29.762 -0.028 0.000 1.407 87 H HN 0.337 8.617 8.280 -0.000 0.000 0.568 88 Q N 1.339 121.096 119.800 -0.072 0.000 2.304 88 Q HA 0.077 4.419 4.340 0.003 0.000 0.301 88 Q C -0.693 175.076 176.000 -0.385 0.000 1.063 88 Q CA 0.125 55.768 55.803 -0.267 0.000 0.947 88 Q CB 0.595 29.080 28.738 -0.421 0.000 1.201 88 Q HN -0.011 8.259 8.270 -0.000 0.000 0.389 89 V N 5.676 125.364 119.914 -0.376 0.000 2.472 89 V HA 0.368 4.490 4.120 0.003 0.000 0.290 89 V C -0.677 175.151 176.094 -0.443 0.000 1.037 89 V CA -0.521 61.605 62.300 -0.290 0.000 0.908 89 V CB 0.920 32.688 31.823 -0.091 0.000 0.985 89 V HN 0.672 8.862 8.190 -0.000 0.000 0.454 90 F N 3.478 123.439 119.950 0.019 0.000 2.334 90 F HA 0.472 5.000 4.527 0.003 0.000 0.367 90 F C 0.636 176.476 175.800 0.067 0.000 1.115 90 F CA -0.635 57.374 58.000 0.015 0.000 1.116 90 F CB 0.804 39.787 39.000 -0.029 0.000 1.230 90 F HN 0.286 8.586 8.300 -0.000 0.000 0.484 91 K N 2.556 123.065 120.400 0.182 0.000 2.276 91 K HA 0.082 4.404 4.320 0.003 0.000 0.283 91 K C -0.722 176.034 176.600 0.260 0.000 1.044 91 K CA -0.655 55.736 56.287 0.173 0.000 0.944 91 K CB 0.939 33.491 32.500 0.087 0.000 1.012 91 K HN 0.597 8.847 8.250 -0.000 0.000 0.472 92 W N 4.964 126.315 121.300 0.085 0.000 2.311 92 W HA 0.039 4.701 4.660 0.003 0.000 0.310 92 W C 0.377 176.936 176.519 0.067 0.000 1.274 92 W CA -0.824 56.572 57.345 0.086 0.000 1.215 92 W CB 0.402 29.919 29.460 0.095 0.000 1.227 92 W HN 0.670 8.850 8.180 -0.000 0.000 0.523 93 D N 2.831 123.043 120.400 -0.315 0.000 2.363 93 D HA 0.098 4.740 4.640 0.003 0.000 0.226 93 D C 1.685 177.482 176.300 -0.838 0.000 1.020 93 D CA 0.748 54.490 54.000 -0.429 0.000 0.892 93 D CB -0.190 40.496 40.800 -0.189 0.000 0.900 93 D HN 0.734 9.104 8.370 -0.000 0.000 0.531 94 G N -0.250 107.342 108.800 -2.013 0.000 2.234 94 G HA2 -0.291 3.671 3.960 0.003 0.000 0.235 94 G HA3 -0.291 3.671 3.960 0.003 0.000 0.235 94 G C 0.211 174.616 174.900 -0.826 0.000 0.997 94 G CA 0.069 43.990 45.100 -1.965 0.000 0.623 94 G HN 0.486 8.776 8.290 -0.000 0.000 0.514 95 K N 1.470 121.675 120.400 -0.324 0.000 2.154 95 K HA 0.495 4.817 4.320 0.003 0.000 0.264 95 K C -2.449 174.431 176.600 0.466 0.000 1.008 95 K CA -1.672 54.681 56.287 0.110 0.000 0.937 95 K CB 0.800 33.342 32.500 0.069 0.000 1.002 95 K HN 0.070 8.320 8.250 -0.000 0.000 0.469 96 P HA 0.149 4.569 4.420 -0.000 0.000 0.272 96 P C -0.930 176.544 177.300 0.290 0.000 1.223 96 P CA -0.180 63.118 63.100 0.330 0.000 0.784 96 P CB 0.721 32.536 31.700 0.190 0.000 0.923 97 R N 0.930 121.559 120.500 0.216 0.000 2.837 97 R HA 0.582 4.924 4.340 0.003 0.000 0.271 97 R C 1.109 177.458 176.300 0.081 0.000 0.993 97 R CA -0.837 55.399 56.100 0.227 0.000 0.931 97 R CB 1.459 31.954 30.300 0.324 0.000 1.206 97 R HN 0.362 8.632 8.270 -0.000 0.000 0.474 98 A N 2.235 125.105 122.820 0.083 0.000 1.997 98 A HA -0.121 4.201 4.320 0.003 0.000 0.221 98 A C 0.609 177.954 177.584 -0.399 0.000 1.172 98 A CA 1.535 53.484 52.037 -0.146 0.000 0.645 98 A CB -0.197 18.722 19.000 -0.136 0.000 0.813 98 A HN 0.422 8.572 8.150 -0.000 0.000 0.454 99 M N -2.126 117.078 119.600 -0.660 0.000 2.326 99 M HA 0.281 4.762 4.480 0.003 0.000 0.306 99 M C 0.325 176.352 176.300 -0.456 0.000 1.054 99 M CA -0.559 54.300 55.300 -0.734 0.000 0.922 99 M CB 1.899 33.680 32.600 -1.366 0.000 1.632 99 M HN 0.111 8.401 8.290 -0.000 0.000 0.436 100 K N 1.909 122.123 120.400 -0.310 0.000 2.113 100 K HA -0.187 4.134 4.320 0.003 0.000 0.208 100 K C 1.644 178.112 176.600 -0.220 0.000 1.047 100 K CA 2.050 58.195 56.287 -0.236 0.000 0.928 100 K CB 0.053 32.455 32.500 -0.163 0.000 0.716 100 K HN 0.681 8.931 8.250 -0.000 0.000 0.446 101 Q N -1.308 118.362 119.800 -0.217 0.000 2.291 101 Q HA -0.135 4.207 4.340 0.003 0.000 0.206 101 Q C 0.726 176.787 176.000 0.102 0.000 0.976 101 Q CA 1.330 57.089 55.803 -0.073 0.000 0.875 101 Q CB 0.016 28.723 28.738 -0.052 0.000 0.927 101 Q HN 0.434 8.704 8.270 -0.000 0.000 0.450 102 W N 0.493 121.700 121.300 -0.155 0.000 3.139 102 W HA 0.143 4.804 4.660 0.003 0.000 0.260 102 W C 0.014 176.280 176.519 -0.422 0.000 1.312 102 W CA -0.080 57.158 57.345 -0.179 0.000 1.606 102 W CB 0.034 29.431 29.460 -0.105 0.000 1.118 102 W HN 0.105 8.285 8.180 -0.000 0.000 0.675 103 E N 1.989 121.923 120.200 -0.444 0.000 2.232 103 E HA 0.178 4.529 4.350 0.003 0.000 0.296 103 E C 0.486 176.476 176.600 -1.017 0.000 1.372 103 E CA -0.018 55.562 56.400 -1.367 0.000 1.527 103 E CB -0.201 28.739 29.700 -1.267 0.000 1.424 103 E HN 0.145 8.505 8.360 -0.000 0.000 0.485 104 R N -0.284 119.965 120.500 -0.420 0.000 2.753 104 R HA 0.228 4.569 4.340 0.003 0.000 0.272 104 R C -1.617 174.799 176.300 0.193 0.000 1.034 104 R CA -0.959 55.168 56.100 0.045 0.000 0.869 104 R CB 0.586 30.891 30.300 0.008 0.000 1.264 104 R HN -0.153 8.117 8.270 -0.000 0.000 0.481 105 D N 1.369 121.910 120.400 0.235 0.000 2.382 105 D HA 0.383 5.025 4.640 0.003 0.000 0.240 105 D C -0.117 176.288 176.300 0.175 0.000 1.146 105 D CA 0.307 54.435 54.000 0.213 0.000 0.897 105 D CB 0.833 41.730 40.800 0.162 0.000 1.197 105 D HN 0.312 8.682 8.370 -0.000 0.000 0.432 106 L N 0.607 121.955 121.223 0.208 0.000 2.445 106 L HA 0.297 4.639 4.340 0.003 0.000 0.262 106 L C 0.658 177.689 176.870 0.268 0.000 0.974 106 L CA -0.854 54.111 54.840 0.209 0.000 0.822 106 L CB 2.296 44.471 42.059 0.193 0.000 1.339 106 L HN 0.411 8.641 8.230 -0.000 0.000 0.409 107 T N -1.510 113.172 114.554 0.213 0.000 2.770 107 T HA 0.207 4.559 4.350 0.003 0.000 0.281 107 T C 0.858 175.761 174.700 0.338 0.000 0.981 107 T CA -0.521 61.714 62.100 0.224 0.000 0.955 107 T CB 0.954 69.915 68.868 0.156 0.000 1.060 107 T HN 0.478 8.718 8.240 -0.000 0.000 0.531 108 L N 0.134 121.566 121.223 0.348 0.000 2.046 108 L HA 0.100 4.441 4.340 0.003 0.000 0.208 108 L C 2.872 179.869 176.870 0.213 0.000 1.077 108 L CA 1.752 56.811 54.840 0.365 0.000 0.747 108 L CB -0.896 41.344 42.059 0.302 0.000 0.896 108 L HN 0.826 9.056 8.230 -0.000 0.000 0.432 109 R N -0.788 119.809 120.500 0.162 0.000 2.092 109 R HA -0.081 4.260 4.340 0.003 0.000 0.231 109 R C 2.154 178.522 176.300 0.113 0.000 1.119 109 R CA 1.263 57.433 56.100 0.117 0.000 0.970 109 R CB -0.722 29.632 30.300 0.090 0.000 0.864 109 R HN 0.512 8.782 8.270 -0.000 0.000 0.440 110 G N 0.015 108.892 108.800 0.128 0.000 2.422 110 G HA2 -0.248 3.714 3.960 0.003 0.000 0.218 110 G HA3 -0.248 3.714 3.960 0.003 0.000 0.218 110 G C 1.506 176.476 174.900 0.116 0.000 1.146 110 G CA 0.683 45.853 45.100 0.116 0.000 0.769 110 G HN 0.469 8.759 8.290 -0.000 0.000 0.547 111 A N 0.612 123.507 122.820 0.127 0.000 1.930 111 A HA 0.101 4.422 4.320 0.003 0.000 0.217 111 A C 2.383 180.040 177.584 0.122 0.000 1.175 111 A CA 1.114 53.209 52.037 0.095 0.000 0.627 111 A CB -0.275 18.728 19.000 0.005 0.000 0.815 111 A HN 0.384 8.534 8.150 -0.000 0.000 0.443 112 I N -0.709 119.937 120.570 0.127 0.000 2.163 112 I HA -0.239 3.933 4.170 0.003 0.000 0.240 112 I C 2.697 178.818 176.117 0.006 0.000 1.081 112 I CA 1.111 62.403 61.300 -0.013 0.000 1.353 112 I CB -0.446 37.559 38.000 0.007 0.000 1.054 112 I HN 0.348 8.558 8.210 -0.000 0.000 0.407 113 Q N 0.417 120.249 119.800 0.053 0.000 2.124 113 Q HA -0.146 4.195 4.340 0.003 0.000 0.202 113 Q C 2.206 178.264 176.000 0.096 0.000 0.977 113 Q CA 1.848 57.691 55.803 0.067 0.000 0.850 113 Q CB -0.413 28.364 28.738 0.065 0.000 0.901 113 Q HN 0.600 8.870 8.270 -0.000 0.000 0.429 114 V N -3.016 116.973 119.914 0.125 0.000 3.649 114 V HA 0.211 4.333 4.120 0.003 0.000 0.275 114 V C 0.693 176.959 176.094 0.287 0.000 1.281 114 V CA 0.432 62.864 62.300 0.219 0.000 1.143 114 V CB 0.152 32.147 31.823 0.286 0.000 0.892 114 V HN 0.209 8.399 8.190 -0.000 0.000 0.441 115 S N 0.660 116.427 115.700 0.112 0.000 3.697 115 S HA -0.181 4.291 4.470 0.003 0.000 0.388 115 S C 0.571 175.064 174.600 -0.180 0.000 0.941 115 S CA 0.461 58.684 58.200 0.038 0.000 1.247 115 S CB -1.513 61.801 63.200 0.190 0.000 0.904 115 S HN 1.974 10.284 8.310 -0.000 0.000 0.518 116 A N 1.738 124.291 122.820 -0.444 0.000 2.671 116 A HA 0.523 4.844 4.320 0.003 0.000 0.306 116 A C 1.392 178.498 177.584 -0.796 0.000 1.473 116 A CA 0.002 51.284 52.037 -1.258 0.000 1.155 116 A CB 0.113 18.656 19.000 -0.762 0.000 1.123 116 A HN 0.756 8.906 8.150 -0.000 0.000 0.545 117 V N 3.734 123.085 119.914 -0.937 0.000 2.317 117 V HA -0.198 3.924 4.120 0.003 0.000 0.251 117 V C -0.170 175.852 176.094 -0.120 0.000 1.065 117 V CA 2.622 64.750 62.300 -0.286 0.000 1.049 117 V CB -1.378 30.350 31.823 -0.159 0.000 0.651 117 V HN 0.702 8.892 8.190 -0.000 0.000 0.450 118 P HA -0.052 4.368 4.420 -0.000 0.000 0.221 118 P C 1.897 179.174 177.300 -0.039 0.000 1.150 118 P CA 1.097 64.171 63.100 -0.043 0.000 0.800 118 P CB -0.025 31.691 31.700 0.028 0.000 0.787 119 V N -1.144 118.689 119.914 -0.136 0.000 2.427 119 V HA -0.173 3.949 4.120 0.003 0.000 0.248 119 V C 2.284 178.164 176.094 -0.356 0.000 1.051 119 V CA 1.678 63.817 62.300 -0.268 0.000 1.048 119 V CB -1.333 30.203 31.823 -0.479 0.000 0.666 119 V HN -0.060 8.130 8.190 -0.000 0.000 0.456 120 F N -0.012 119.821 119.950 -0.195 0.000 2.367 120 F HA -0.045 4.484 4.527 0.003 0.000 0.298 120 F C 2.503 178.346 175.800 0.072 0.000 1.094 120 F CA 0.922 58.842 58.000 -0.135 0.000 1.409 120 F CB -0.308 38.582 39.000 -0.183 0.000 1.064 120 F HN 0.135 8.435 8.300 -0.000 0.000 0.528 121 Q N -0.285 119.704 119.800 0.314 0.000 2.124 121 Q HA -0.276 4.066 4.340 0.003 0.000 0.202 121 Q C 2.112 178.224 176.000 0.186 0.000 0.977 121 Q CA 1.709 57.709 55.803 0.329 0.000 0.850 121 Q CB -0.256 28.585 28.738 0.172 0.000 0.901 121 Q HN 0.345 8.615 8.270 -0.000 0.000 0.429 122 Q N 1.087 120.937 119.800 0.083 0.000 2.083 122 Q HA -0.111 4.231 4.340 0.003 0.000 0.198 122 Q C 1.770 177.790 176.000 0.034 0.000 0.969 122 Q CA 1.330 57.166 55.803 0.054 0.000 0.838 122 Q CB -0.199 28.560 28.738 0.035 0.000 0.900 122 Q HN 0.391 8.661 8.270 -0.000 0.000 0.436 123 I N 0.616 121.156 120.570 -0.051 0.000 2.194 123 I HA -0.334 3.837 4.170 0.003 0.000 0.246 123 I C 2.266 178.406 176.117 0.039 0.000 1.093 123 I CA 1.288 62.552 61.300 -0.059 0.000 1.355 123 I CB -0.535 37.325 38.000 -0.233 0.000 1.046 123 I HN 0.348 8.558 8.210 -0.000 0.000 0.413 124 A N 0.629 123.515 122.820 0.109 0.000 1.898 124 A HA -0.180 4.142 4.320 0.003 0.000 0.216 124 A C 2.403 180.115 177.584 0.213 0.000 1.181 124 A CA 1.356 53.521 52.037 0.213 0.000 0.620 124 A CB -0.520 18.704 19.000 0.373 0.000 0.819 124 A HN 0.309 8.459 8.150 -0.000 0.000 0.442 125 R N -0.278 120.329 120.500 0.179 0.000 2.091 125 R HA -0.150 4.192 4.340 0.003 0.000 0.238 125 R C 2.068 178.431 176.300 0.105 0.000 1.136 125 R CA 1.660 57.844 56.100 0.139 0.000 0.959 125 R CB -0.369 29.997 30.300 0.110 0.000 0.856 125 R HN 0.676 8.946 8.270 -0.000 0.000 0.437 126 E N 0.149 120.401 120.200 0.085 0.000 2.150 126 E HA -0.131 4.220 4.350 0.003 0.000 0.193 126 E C 2.042 178.684 176.600 0.070 0.000 0.985 126 E CA 1.073 57.513 56.400 0.066 0.000 0.814 126 E CB 0.077 29.809 29.700 0.052 0.000 0.752 126 E HN 0.105 8.465 8.360 -0.000 0.000 0.466 127 V N 0.345 120.309 119.914 0.084 0.000 2.307 127 V HA -0.084 4.038 4.120 0.003 0.000 0.245 127 V C 1.198 177.350 176.094 0.096 0.000 1.045 127 V CA 1.326 63.680 62.300 0.089 0.000 1.024 127 V CB -1.010 30.874 31.823 0.102 0.000 0.651 127 V HN 0.534 8.724 8.190 -0.000 0.000 0.449 128 G N -0.360 108.509 108.800 0.114 0.000 2.781 128 G HA2 -0.262 3.699 3.960 0.003 0.000 0.683 128 G HA3 -0.262 3.699 3.960 0.003 0.000 0.683 128 G C 0.355 175.305 174.900 0.084 0.000 1.390 128 G CA 0.271 45.430 45.100 0.098 0.000 0.850 128 G HN 0.419 8.709 8.290 -0.000 0.000 0.557 129 E N -0.766 119.467 120.200 0.056 0.000 2.072 129 E HA -0.051 4.301 4.350 0.003 0.000 0.191 129 E C 2.603 179.196 176.600 -0.012 0.000 0.985 129 E CA 1.922 58.328 56.400 0.011 0.000 0.801 129 E CB -0.099 29.600 29.700 -0.002 0.000 0.750 129 E HN 0.526 8.886 8.360 -0.000 0.000 0.452 130 V N 1.196 121.109 119.914 -0.001 0.000 2.295 130 V HA -0.265 3.857 4.120 0.003 0.000 0.246 130 V C 2.479 178.559 176.094 -0.024 0.000 1.049 130 V CA 2.287 64.576 62.300 -0.018 0.000 1.024 130 V CB -0.515 31.300 31.823 -0.012 0.000 0.648 130 V HN 0.289 8.479 8.190 -0.000 0.000 0.447 131 R N -1.002 119.508 120.500 0.017 0.000 2.090 131 R HA -0.087 4.255 4.340 0.003 0.000 0.228 131 R C 2.234 178.602 176.300 0.112 0.000 1.110 131 R CA 1.541 57.675 56.100 0.055 0.000 0.973 131 R CB -0.418 29.966 30.300 0.140 0.000 0.869 131 R HN 0.399 8.669 8.270 -0.000 0.000 0.440 132 M N 1.207 120.862 119.600 0.091 0.000 2.086 132 M HA -0.203 4.279 4.480 0.003 0.000 0.261 132 M C 2.233 178.526 176.300 -0.012 0.000 1.067 132 M CA 1.800 57.150 55.300 0.084 0.000 1.116 132 M CB -0.219 32.420 32.600 0.065 0.000 1.348 132 M HN -0.085 8.205 8.290 -0.000 0.000 0.407 133 Q N 0.278 120.035 119.800 -0.072 0.000 2.096 133 Q HA -0.229 4.112 4.340 0.003 0.000 0.204 133 Q C 2.071 178.003 176.000 -0.114 0.000 0.982 133 Q CA 2.399 58.139 55.803 -0.104 0.000 0.850 133 Q CB -0.378 28.301 28.738 -0.098 0.000 0.901 133 Q HN 0.634 8.904 8.270 -0.000 0.000 0.422 134 K N -1.327 118.986 120.400 -0.146 0.000 2.057 134 K HA -0.182 4.139 4.320 0.003 0.000 0.206 134 K C 1.766 178.149 176.600 -0.362 0.000 1.050 134 K CA 1.390 57.529 56.287 -0.246 0.000 0.935 134 K CB -0.255 32.056 32.500 -0.314 0.000 0.715 134 K HN 0.270 8.520 8.250 -0.000 0.000 0.439 135 Y N 1.300 121.430 120.300 -0.285 0.000 2.242 135 Y HA -0.112 4.439 4.550 0.003 0.000 0.291 135 Y C 2.051 177.520 175.900 -0.718 0.000 1.137 135 Y CA 1.036 58.769 58.100 -0.612 0.000 1.181 135 Y CB -0.114 37.940 38.460 -0.676 0.000 0.989 135 Y HN 0.007 8.287 8.280 -0.000 0.000 0.527 136 L N 0.017 121.117 121.223 -0.206 0.000 2.131 136 L HA -0.234 4.107 4.340 0.003 0.000 0.210 136 L C 2.455 179.342 176.870 0.028 0.000 1.092 136 L CA 1.538 56.358 54.840 -0.032 0.000 0.759 136 L CB -0.487 41.603 42.059 0.052 0.000 0.903 136 L HN 0.208 8.438 8.230 -0.000 0.000 0.435 137 K N 0.990 121.361 120.400 -0.050 0.000 2.025 137 K HA -0.181 4.141 4.320 0.003 0.000 0.207 137 K C 2.102 178.707 176.600 0.009 0.000 1.049 137 K CA 1.256 57.532 56.287 -0.018 0.000 0.933 137 K CB 0.111 32.577 32.500 -0.057 0.000 0.714 137 K HN 0.129 8.379 8.250 -0.000 0.000 0.438 138 K N -0.320 120.042 120.400 -0.062 0.000 2.103 138 K HA -0.113 4.209 4.320 0.003 0.000 0.207 138 K C 1.636 178.422 176.600 0.309 0.000 1.048 138 K CA 1.296 57.610 56.287 0.046 0.000 0.930 138 K CB -0.068 32.409 32.500 -0.037 0.000 0.716 138 K HN 0.127 8.377 8.250 -0.000 0.000 0.444 139 F N 0.479 120.538 119.950 0.182 0.000 2.797 139 F HA 0.150 4.679 4.527 0.003 0.000 0.302 139 F C 0.977 176.921 175.800 0.241 0.000 1.130 139 F CA -0.358 57.804 58.000 0.270 0.000 1.387 139 F CB -0.564 38.656 39.000 0.366 0.000 1.107 139 F HN -0.177 8.123 8.300 -0.000 0.000 0.577 140 S N -0.056 115.834 115.700 0.318 0.000 3.631 140 S HA -0.314 4.157 4.470 0.003 0.000 0.366 140 S C -0.036 174.682 174.600 0.197 0.000 0.993 140 S CA -0.032 58.289 58.200 0.201 0.000 1.167 140 S CB -2.152 61.137 63.200 0.148 0.000 0.909 140 S HN 0.438 8.748 8.310 -0.000 0.000 0.478 141 Y N 1.844 122.209 120.300 0.108 0.000 2.627 141 Y HA 0.446 4.998 4.550 0.003 0.000 0.347 141 Y C 1.220 177.142 175.900 0.037 0.000 1.099 141 Y CA 1.242 59.360 58.100 0.031 0.000 1.408 141 Y CB -0.176 38.306 38.460 0.036 0.000 1.247 141 Y HN 0.734 9.014 8.280 -0.000 0.000 0.506 142 G N 4.535 113.228 108.800 -0.177 0.000 2.575 142 G HA2 -0.453 3.509 3.960 0.003 0.000 0.267 142 G HA3 -0.453 3.509 3.960 0.003 0.000 0.267 142 G C 0.690 175.599 174.900 0.015 0.000 1.264 142 G CA 0.354 45.394 45.100 -0.099 0.000 0.935 142 G HN 0.903 9.193 8.290 -0.000 0.000 0.568 143 N N 0.820 119.541 118.700 0.035 0.000 2.571 143 N HA -0.016 4.726 4.740 0.003 0.000 0.189 143 N C 1.210 176.745 175.510 0.042 0.000 1.154 143 N CA 1.543 54.612 53.050 0.033 0.000 0.907 143 N CB -0.279 38.223 38.487 0.026 0.000 0.977 143 N HN 1.064 9.444 8.380 -0.000 0.000 0.449 144 Q N -1.226 118.622 119.800 0.080 0.000 2.461 144 Q HA -0.275 4.067 4.340 0.003 0.000 0.273 144 Q C -0.985 175.007 176.000 -0.014 0.000 1.163 144 Q CA 0.821 56.661 55.803 0.062 0.000 0.929 144 Q CB -2.504 26.259 28.738 0.043 0.000 1.334 144 Q HN 0.725 8.995 8.270 -0.000 0.000 0.499 145 N N 0.834 119.530 118.700 -0.006 0.000 2.527 145 N HA 0.396 5.138 4.740 0.003 0.000 0.236 145 N C 0.612 176.064 175.510 -0.096 0.000 0.999 145 N CA -0.249 52.777 53.050 -0.040 0.000 0.935 145 N CB 0.507 38.994 38.487 0.000 0.000 1.132 145 N HN 0.371 8.751 8.380 -0.000 0.000 0.511 146 I N 0.985 121.410 120.570 -0.241 0.000 3.889 146 I HA 0.279 4.451 4.170 0.003 0.000 0.332 146 I C 0.422 176.422 176.117 -0.195 0.000 1.493 146 I CA -0.671 60.328 61.300 -0.503 0.000 1.158 146 I CB -0.043 37.277 38.000 -1.133 0.000 1.117 146 I HN 0.223 8.433 8.210 -0.000 0.000 0.411 147 S N 0.492 116.151 115.700 -0.069 0.000 2.608 147 S HA 0.594 5.066 4.470 0.003 0.000 0.261 147 S C 1.289 175.910 174.600 0.035 0.000 1.314 147 S CA 0.282 58.470 58.200 -0.019 0.000 0.992 147 S CB 1.081 64.271 63.200 -0.016 0.000 0.935 147 S HN 0.939 9.249 8.310 -0.000 0.000 0.564 148 G N -0.282 108.537 108.800 0.030 0.000 2.241 148 G HA2 0.239 4.201 3.960 0.003 0.000 0.244 148 G HA3 0.239 4.201 3.960 0.003 0.000 0.244 148 G C 0.592 175.518 174.900 0.043 0.000 0.998 148 G CA -0.153 44.966 45.100 0.032 0.000 0.621 148 G HN 2.306 10.596 8.290 -0.000 0.000 0.519 149 G N -1.245 107.605 108.800 0.083 0.000 1.834 149 G HA2 0.480 4.442 3.960 0.003 0.000 0.247 149 G HA3 0.480 4.442 3.960 0.003 0.000 0.247 149 G C 0.230 175.247 174.900 0.195 0.000 1.691 149 G CA 0.229 45.382 45.100 0.088 0.000 0.922 149 G HN 1.026 9.316 8.290 -0.000 0.000 0.682 150 I N 1.363 122.066 120.570 0.222 0.000 2.700 150 I HA -0.015 4.156 4.170 0.003 0.000 0.261 150 I C 1.736 178.128 176.117 0.459 0.000 1.219 150 I CA 1.924 63.455 61.300 0.386 0.000 1.463 150 I CB 0.149 38.298 38.000 0.249 0.000 1.092 150 I HN 0.562 8.772 8.210 -0.000 0.000 0.452 151 D N -0.563 119.951 120.400 0.191 0.000 2.440 151 D HA 0.014 4.655 4.640 0.003 0.000 0.216 151 D C 0.929 176.973 176.300 -0.427 0.000 1.150 151 D CA 0.086 54.122 54.000 0.061 0.000 0.832 151 D CB -0.193 40.655 40.800 0.081 0.000 0.992 151 D HN 0.493 8.863 8.370 -0.000 0.000 0.502 152 K N 0.268 120.374 120.400 -0.489 0.000 2.603 152 K HA 0.073 4.395 4.320 0.003 0.000 0.202 152 K C 0.969 177.156 176.600 -0.687 0.000 1.279 152 K CA -0.368 55.424 56.287 -0.825 0.000 1.056 152 K CB -1.082 31.158 32.500 -0.433 0.000 1.062 152 K HN 0.084 8.334 8.250 -0.000 0.000 0.606 153 F N 1.382 121.170 119.950 -0.269 0.000 2.250 153 F HA -0.068 4.460 4.527 0.003 0.000 0.301 153 F C 1.698 177.430 175.800 -0.114 0.000 1.077 153 F CA 0.738 58.665 58.000 -0.121 0.000 1.348 153 F CB -0.899 38.090 39.000 -0.018 0.000 1.040 153 F HN 0.221 8.521 8.300 -0.000 0.000 0.509 154 W N 0.238 121.109 121.300 -0.716 0.000 3.197 154 W HA 0.402 5.064 4.660 0.003 0.000 0.274 154 W C 0.815 177.222 176.519 -0.186 0.000 1.297 154 W CA -0.063 57.017 57.345 -0.443 0.000 1.662 154 W CB -0.633 28.388 29.460 -0.731 0.000 1.106 154 W HN 0.043 8.223 8.180 -0.000 0.000 0.663 155 L N 1.141 121.929 121.223 -0.726 0.000 2.362 155 L HA 0.211 4.552 4.340 0.003 0.000 0.204 155 L C 1.911 178.635 176.870 -0.244 0.000 1.060 155 L CA 1.202 55.747 54.840 -0.492 0.000 0.827 155 L CB -0.190 41.462 42.059 -0.679 0.000 1.027 155 L HN 0.154 8.384 8.230 -0.000 0.000 0.474 156 E N -0.703 119.357 120.200 -0.233 0.000 2.835 156 E HA 0.211 4.563 4.350 0.003 0.000 0.183 156 E C 0.568 177.129 176.600 -0.066 0.000 0.934 156 E CA 0.044 56.375 56.400 -0.115 0.000 1.324 156 E CB 0.159 29.790 29.700 -0.116 0.000 1.038 156 E HN 0.141 8.501 8.360 -0.000 0.000 0.481 157 G N 1.084 109.854 108.800 -0.050 0.000 2.829 157 G HA2 0.081 4.042 3.960 0.003 0.000 0.173 157 G HA3 0.081 4.042 3.960 0.003 0.000 0.173 157 G C 0.648 175.581 174.900 0.055 0.000 1.476 157 G CA -0.164 44.949 45.100 0.022 0.000 1.072 157 G HN 0.051 8.341 8.290 -0.000 0.000 0.577 158 Q N -0.816 119.034 119.800 0.082 0.000 2.247 158 Q HA 0.176 4.518 4.340 0.003 0.000 0.211 158 Q C 0.161 176.216 176.000 0.091 0.000 0.861 158 Q CA -0.546 55.297 55.803 0.067 0.000 0.949 158 Q CB 0.650 29.413 28.738 0.042 0.000 1.115 158 Q HN 0.235 8.505 8.270 -0.000 0.000 0.507 159 L N 2.493 123.805 121.223 0.148 0.000 2.453 159 L HA 0.091 4.432 4.340 0.003 0.000 0.272 159 L C -0.440 176.535 176.870 0.175 0.000 1.182 159 L CA 0.813 55.760 54.840 0.178 0.000 0.858 159 L CB 0.231 42.460 42.059 0.283 0.000 1.120 159 L HN -0.060 8.170 8.230 -0.000 0.000 0.474 160 R N 6.174 126.764 120.500 0.151 0.000 2.651 160 R HA 0.612 4.953 4.340 0.003 0.000 0.278 160 R C -1.410 174.956 176.300 0.111 0.000 1.010 160 R CA -0.705 55.484 56.100 0.147 0.000 0.896 160 R CB 1.985 32.329 30.300 0.073 0.000 1.211 160 R HN 0.792 9.062 8.270 -0.000 0.000 0.456 161 I N 0.526 121.189 120.570 0.154 0.000 2.827 161 I HA 0.318 4.490 4.170 0.003 0.000 0.298 161 I C -0.330 175.939 176.117 0.254 0.000 1.235 161 I CA -0.388 60.933 61.300 0.035 0.000 1.021 161 I CB 2.420 40.234 38.000 -0.309 0.000 1.259 161 I HN 0.810 9.020 8.210 -0.000 0.000 0.427 162 S N 5.002 120.811 115.700 0.182 0.000 2.672 162 S HA 0.603 5.075 4.470 0.003 0.000 0.276 162 S C 1.026 175.857 174.600 0.385 0.000 1.207 162 S CA 0.026 58.410 58.200 0.308 0.000 1.002 162 S CB 1.773 65.071 63.200 0.163 0.000 0.998 162 S HN 0.840 9.150 8.310 -0.000 0.000 0.542 163 A N 1.216 124.305 122.820 0.449 0.000 1.908 163 A HA -0.005 4.316 4.320 0.003 0.000 0.218 163 A C 2.129 179.857 177.584 0.239 0.000 1.181 163 A CA 1.749 54.045 52.037 0.431 0.000 0.627 163 A CB -1.395 17.802 19.000 0.329 0.000 0.818 163 A HN 0.803 8.953 8.150 -0.000 0.000 0.445 164 V N 0.560 120.572 119.914 0.164 0.000 2.343 164 V HA -0.306 3.815 4.120 0.003 0.000 0.247 164 V C 2.345 178.477 176.094 0.064 0.000 1.051 164 V CA 2.312 64.670 62.300 0.097 0.000 1.036 164 V CB -1.053 30.813 31.823 0.072 0.000 0.654 164 V HN 0.792 8.982 8.190 -0.000 0.000 0.451 165 N N -0.816 117.916 118.700 0.053 0.000 2.223 165 N HA -0.211 4.531 4.740 0.003 0.000 0.185 165 N C 1.972 177.476 175.510 -0.010 0.000 1.016 165 N CA 0.851 53.899 53.050 -0.003 0.000 0.863 165 N CB 0.037 38.491 38.487 -0.055 0.000 0.983 165 N HN 0.495 8.875 8.380 -0.000 0.000 0.429 166 Q N 0.170 119.975 119.800 0.007 0.000 2.079 166 Q HA -0.098 4.243 4.340 0.003 0.000 0.200 166 Q C 2.207 178.267 176.000 0.099 0.000 0.974 166 Q CA 0.997 56.815 55.803 0.025 0.000 0.840 166 Q CB -0.168 28.576 28.738 0.010 0.000 0.898 166 Q HN 0.324 8.594 8.270 -0.000 0.000 0.430 167 V N 1.419 121.374 119.914 0.068 0.000 2.427 167 V HA -0.229 3.892 4.120 0.003 0.000 0.248 167 V C 2.021 178.039 176.094 -0.127 0.000 1.051 167 V CA 1.692 63.996 62.300 0.008 0.000 1.048 167 V CB -0.383 31.467 31.823 0.045 0.000 0.666 167 V HN 0.365 8.555 8.190 -0.000 0.000 0.456 168 E N -0.615 119.542 120.200 -0.072 0.000 2.077 168 E HA -0.239 4.113 4.350 0.003 0.000 0.193 168 E C 2.041 178.586 176.600 -0.093 0.000 0.989 168 E CA 1.567 57.899 56.400 -0.114 0.000 0.800 168 E CB -0.243 29.436 29.700 -0.036 0.000 0.746 168 E HN 0.619 8.979 8.360 -0.000 0.000 0.452 169 F N 1.512 121.381 119.950 -0.136 0.000 2.102 169 F HA -0.175 4.354 4.527 0.003 0.000 0.298 169 F C 1.884 177.589 175.800 -0.159 0.000 1.105 169 F CA 1.327 59.261 58.000 -0.110 0.000 1.239 169 F CB -0.165 38.820 39.000 -0.025 0.000 0.991 169 F HN -0.087 8.213 8.300 -0.000 0.000 0.474 170 L N 0.122 121.224 121.223 -0.202 0.000 2.093 170 L HA -0.192 4.150 4.340 0.003 0.000 0.208 170 L C 2.551 179.105 176.870 -0.527 0.000 1.085 170 L CA 1.808 56.488 54.840 -0.267 0.000 0.755 170 L CB -0.825 41.288 42.059 0.090 0.000 0.904 170 L HN 0.285 8.515 8.230 -0.000 0.000 0.435 171 E N 0.015 119.783 120.200 -0.720 0.000 2.077 171 E HA -0.205 4.147 4.350 0.003 0.000 0.193 171 E C 2.182 178.450 176.600 -0.553 0.000 0.989 171 E CA 1.530 57.302 56.400 -1.046 0.000 0.800 171 E CB 0.129 29.098 29.700 -1.218 0.000 0.746 171 E HN 0.374 8.734 8.360 -0.000 0.000 0.452 172 S N 0.897 116.321 115.700 -0.459 0.000 2.370 172 S HA -0.184 4.288 4.470 0.003 0.000 0.226 172 S C 1.843 176.197 174.600 -0.410 0.000 1.033 172 S CA 1.166 59.148 58.200 -0.364 0.000 1.011 172 S CB -0.376 62.640 63.200 -0.307 0.000 0.852 172 S HN 0.294 8.604 8.310 -0.000 0.000 0.457 173 L N 0.940 121.832 121.223 -0.551 0.000 1.994 173 L HA -0.084 4.258 4.340 0.003 0.000 0.208 173 L C 2.044 178.668 176.870 -0.411 0.000 1.071 173 L CA 1.836 56.379 54.840 -0.496 0.000 0.745 173 L CB -1.166 40.571 42.059 -0.535 0.000 0.892 173 L HN 0.377 8.607 8.230 -0.000 0.000 0.431 174 Y N 0.027 119.884 120.300 -0.739 0.000 2.151 174 Y HA -0.233 4.319 4.550 0.002 0.000 0.284 174 Y C 1.993 177.640 175.900 -0.421 0.000 1.166 174 Y CA 2.066 59.688 58.100 -0.796 0.000 1.163 174 Y CB -0.328 37.501 38.460 -1.051 0.000 0.974 174 Y HN 0.236 8.516 8.280 -0.000 0.000 0.511 175 L N 0.786 121.802 121.223 -0.344 0.000 2.591 175 L HA -0.031 4.311 4.340 0.003 0.000 0.228 175 L C 0.343 177.055 176.870 -0.264 0.000 1.133 175 L CA 0.539 55.193 54.840 -0.311 0.000 0.880 175 L CB -0.463 41.492 42.059 -0.174 0.000 1.033 175 L HN 0.313 8.543 8.230 -0.000 0.000 0.450 176 N N 0.289 118.826 118.700 -0.270 0.000 2.741 176 N HA -0.215 4.526 4.740 0.003 0.000 0.250 176 N C 0.636 176.049 175.510 -0.162 0.000 1.115 176 N CA 0.982 53.911 53.050 -0.202 0.000 0.724 176 N CB -1.033 37.352 38.487 -0.169 0.000 1.090 176 N HN 0.453 8.832 8.380 -0.000 0.000 0.558 177 K N 0.145 120.438 120.400 -0.178 0.000 2.374 177 K HA 0.235 4.557 4.320 0.003 0.000 0.196 177 K C 0.939 177.477 176.600 -0.104 0.000 1.023 177 K CA 0.018 56.229 56.287 -0.126 0.000 1.103 177 K CB 0.460 32.886 32.500 -0.123 0.000 0.848 177 K HN 0.208 8.458 8.250 -0.000 0.000 0.528 178 L N 1.216 122.345 121.223 -0.158 0.000 2.476 178 L HA 0.011 4.352 4.340 0.003 0.000 0.264 178 L C 0.387 177.288 176.870 0.052 0.000 1.224 178 L CA -0.035 54.736 54.840 -0.115 0.000 0.821 178 L CB 0.697 42.540 42.059 -0.361 0.000 1.101 178 L HN -0.015 8.215 8.230 -0.000 0.000 0.488 179 S N 1.878 117.725 115.700 0.244 0.000 3.900 179 S HA 0.503 4.975 4.470 0.003 0.000 0.248 179 S C 0.003 174.819 174.600 0.361 0.000 1.310 179 S CA -0.367 57.995 58.200 0.271 0.000 0.915 179 S CB -0.378 62.984 63.200 0.271 0.000 1.588 179 S HN 0.627 8.937 8.310 -0.000 0.000 0.472 180 A N 1.861 124.804 122.820 0.204 0.000 2.597 180 A HA 0.714 5.035 4.320 0.003 0.000 0.292 180 A C -0.009 177.615 177.584 0.067 0.000 1.057 180 A CA -0.972 51.165 52.037 0.166 0.000 0.674 180 A CB 0.419 19.499 19.000 0.133 0.000 1.278 180 A HN 0.626 8.776 8.150 -0.000 0.000 0.416 181 S N 0.508 116.235 115.700 0.045 0.000 2.568 181 S HA 0.188 4.659 4.470 0.003 0.000 0.282 181 S C 1.001 175.592 174.600 -0.016 0.000 1.338 181 S CA 0.590 58.798 58.200 0.013 0.000 1.045 181 S CB 0.907 64.112 63.200 0.008 0.000 0.873 181 S HN 1.011 9.321 8.310 -0.000 0.000 0.516 182 K N 1.343 121.727 120.400 -0.027 0.000 2.103 182 K HA -0.225 4.097 4.320 0.003 0.000 0.207 182 K C 2.157 178.730 176.600 -0.044 0.000 1.048 182 K CA 1.798 58.056 56.287 -0.048 0.000 0.930 182 K CB -0.322 32.147 32.500 -0.051 0.000 0.716 182 K HN 0.882 9.132 8.250 -0.000 0.000 0.444 183 E N 0.303 120.485 120.200 -0.031 0.000 2.085 183 E HA -0.260 4.092 4.350 0.003 0.000 0.194 183 E C 1.415 177.997 176.600 -0.031 0.000 0.994 183 E CA 1.474 57.857 56.400 -0.029 0.000 0.801 183 E CB -0.113 29.573 29.700 -0.023 0.000 0.743 183 E HN 0.354 8.714 8.360 -0.000 0.000 0.453 184 N N 0.567 119.251 118.700 -0.028 0.000 2.188 184 N HA -0.127 4.614 4.740 0.003 0.000 0.184 184 N C 1.873 177.361 175.510 -0.036 0.000 1.018 184 N CA 1.121 54.154 53.050 -0.029 0.000 0.858 184 N CB -0.232 38.241 38.487 -0.024 0.000 0.989 184 N HN 0.371 8.751 8.380 -0.000 0.000 0.426 185 Q N 0.500 120.269 119.800 -0.052 0.000 2.050 185 Q HA -0.012 4.330 4.340 0.003 0.000 0.202 185 Q C 2.195 178.170 176.000 -0.042 0.000 0.980 185 Q CA 0.887 56.645 55.803 -0.075 0.000 0.840 185 Q CB -0.152 28.515 28.738 -0.118 0.000 0.898 185 Q HN 0.335 8.605 8.270 -0.000 0.000 0.424 186 L N 0.337 121.538 121.223 -0.036 0.000 2.012 186 L HA -0.235 4.106 4.340 0.003 0.000 0.210 186 L C 2.358 179.237 176.870 0.015 0.000 1.073 186 L CA 1.088 55.923 54.840 -0.008 0.000 0.748 186 L CB -0.522 41.527 42.059 -0.017 0.000 0.891 186 L HN 0.262 8.492 8.230 -0.000 0.000 0.431 187 I N -0.744 119.823 120.570 -0.005 0.000 2.151 187 I HA -0.313 3.859 4.170 0.003 0.000 0.243 187 I C 2.408 178.540 176.117 0.026 0.000 1.080 187 I CA 1.366 62.664 61.300 -0.003 0.000 1.339 187 I CB -0.299 37.684 38.000 -0.027 0.000 1.039 187 I HN 0.041 8.251 8.210 -0.000 0.000 0.409 188 V N 0.499 120.428 119.914 0.025 0.000 2.453 188 V HA -0.226 3.895 4.120 0.003 0.000 0.247 188 V C 2.367 178.509 176.094 0.081 0.000 1.048 188 V CA 1.582 63.906 62.300 0.041 0.000 1.049 188 V CB -0.639 31.192 31.823 0.013 0.000 0.672 188 V HN 0.367 8.557 8.190 -0.000 0.000 0.457 189 K N -0.020 120.447 120.400 0.112 0.000 2.063 189 K HA -0.245 4.077 4.320 0.003 0.000 0.208 189 K C 2.223 178.979 176.600 0.259 0.000 1.048 189 K CA 1.791 58.214 56.287 0.226 0.000 0.928 189 K CB -0.187 32.440 32.500 0.212 0.000 0.713 189 K HN 0.487 8.737 8.250 -0.000 0.000 0.442 190 E N 0.363 120.656 120.200 0.155 0.000 2.153 190 E HA -0.149 4.203 4.350 0.003 0.000 0.194 190 E C 1.731 178.363 176.600 0.053 0.000 0.988 190 E CA 0.753 57.216 56.400 0.104 0.000 0.811 190 E CB 0.041 29.784 29.700 0.071 0.000 0.746 190 E HN 0.322 8.682 8.360 -0.000 0.000 0.466 191 A N 0.324 123.182 122.820 0.063 0.000 2.119 191 A HA -0.041 4.280 4.320 0.003 0.000 0.217 191 A C 1.872 179.471 177.584 0.025 0.000 1.153 191 A CA 0.552 52.619 52.037 0.050 0.000 0.692 191 A CB -0.161 18.879 19.000 0.066 0.000 0.799 191 A HN 0.228 8.378 8.150 -0.000 0.000 0.458 192 L N -0.201 121.037 121.223 0.025 0.000 2.567 192 L HA 0.099 4.441 4.340 0.003 0.000 0.225 192 L C 0.104 176.883 176.870 -0.152 0.000 1.119 192 L CA -0.348 54.474 54.840 -0.030 0.000 0.871 192 L CB 0.101 42.145 42.059 -0.027 0.000 1.036 192 L HN 0.012 8.242 8.230 -0.000 0.000 0.459 193 V N 1.320 121.091 119.914 -0.240 0.000 2.509 193 V HA -0.085 4.036 4.120 0.003 0.000 0.297 193 V C 1.510 177.501 176.094 -0.172 0.000 1.014 193 V CA 1.271 63.337 62.300 -0.390 0.000 1.127 193 V CB 0.661 32.278 31.823 -0.342 0.000 0.925 193 V HN 0.500 8.690 8.190 -0.000 0.000 0.480 194 T N 0.910 115.383 114.554 -0.135 0.000 2.985 194 T HA 0.304 4.656 4.350 0.003 0.000 0.254 194 T C 0.279 174.987 174.700 0.014 0.000 1.021 194 T CA -0.138 61.954 62.100 -0.013 0.000 0.957 194 T CB 0.468 69.383 68.868 0.079 0.000 1.047 194 T HN 0.545 8.785 8.240 -0.000 0.000 0.511 195 E N 0.140 120.336 120.200 -0.006 0.000 2.321 195 E HA 0.702 5.053 4.350 0.003 0.000 0.278 195 E C -1.813 174.808 176.600 0.035 0.000 0.902 195 E CA -0.586 55.847 56.400 0.056 0.000 0.758 195 E CB 2.217 32.006 29.700 0.148 0.000 1.213 195 E HN 0.399 8.759 8.360 -0.000 0.000 0.426 196 A N 2.128 124.983 122.820 0.059 0.000 2.437 196 A HA 0.898 5.220 4.320 0.003 0.000 0.293 196 A C -1.353 176.279 177.584 0.081 0.000 1.038 196 A CA 0.109 52.178 52.037 0.053 0.000 0.708 196 A CB 1.331 20.338 19.000 0.012 0.000 1.251 196 A HN 0.672 8.822 8.150 -0.000 0.000 0.409 197 A N 2.717 125.605 122.820 0.114 0.000 2.564 197 A HA 0.919 5.240 4.320 0.003 0.000 0.288 197 A C -2.429 175.213 177.584 0.097 0.000 1.164 197 A CA -1.331 50.764 52.037 0.097 0.000 0.712 197 A CB 0.328 19.392 19.000 0.107 0.000 1.303 197 A HN 0.418 8.568 8.150 -0.000 0.000 0.418 198 P HA -0.035 4.385 4.420 -0.000 0.000 0.217 198 P C 0.261 177.612 177.300 0.086 0.000 1.150 198 P CA 1.415 64.555 63.100 0.068 0.000 0.832 198 P CB 0.287 32.017 31.700 0.050 0.000 0.787 199 E N -2.710 117.558 120.200 0.112 0.000 2.869 199 E HA 0.209 4.561 4.350 0.003 0.000 0.207 199 E C -0.913 175.813 176.600 0.211 0.000 0.986 199 E CA -0.279 56.199 56.400 0.130 0.000 1.131 199 E CB 0.234 29.999 29.700 0.109 0.000 1.098 199 E HN 0.212 8.572 8.360 -0.000 0.000 0.459 200 Y N 0.800 121.131 120.300 0.052 0.000 2.358 200 Y HA 0.418 4.969 4.550 0.002 0.000 0.324 200 Y C -2.032 173.899 175.900 0.053 0.000 1.123 200 Y CA -1.203 56.931 58.100 0.057 0.000 1.067 200 Y CB 1.258 39.741 38.460 0.038 0.000 1.230 200 Y HN 0.077 8.357 8.280 -0.000 0.000 0.429 201 L N 6.844 127.951 121.223 -0.192 0.000 2.436 201 L HA 0.841 5.183 4.340 0.003 0.000 0.268 201 L C -1.933 174.810 176.870 -0.211 0.000 0.974 201 L CA -0.650 54.129 54.840 -0.102 0.000 0.826 201 L CB 2.058 44.126 42.059 0.015 0.000 1.291 201 L HN 0.401 8.631 8.230 -0.000 0.000 0.406 202 V N 3.942 123.740 119.914 -0.193 0.000 2.495 202 V HA 0.494 4.616 4.120 0.003 0.000 0.298 202 V C -0.950 174.934 176.094 -0.349 0.000 1.031 202 V CA -0.563 61.622 62.300 -0.192 0.000 0.871 202 V CB 1.583 33.396 31.823 -0.016 0.000 0.988 202 V HN 0.756 8.946 8.190 -0.000 0.000 0.432 203 H N 2.230 120.947 119.070 -0.588 0.000 2.481 203 H HA 0.785 5.342 4.556 0.003 0.000 0.333 203 H C 0.065 175.018 175.328 -0.625 0.000 1.066 203 H CA -0.043 55.548 56.048 -0.761 0.000 1.209 203 H CB 1.712 30.499 29.762 -1.626 0.000 1.445 203 H HN 0.862 9.142 8.280 -0.000 0.000 0.488 204 S N 2.155 117.724 115.700 -0.219 0.000 2.611 204 S HA 0.720 5.191 4.470 0.003 0.000 0.268 204 S C -1.349 173.277 174.600 0.043 0.000 1.156 204 S CA -1.138 56.986 58.200 -0.126 0.000 0.817 204 S CB 2.580 65.818 63.200 0.062 0.000 1.122 204 S HN 0.430 8.740 8.310 -0.000 0.000 0.466 205 K N 0.925 121.399 120.400 0.123 0.000 2.550 205 K HA 0.608 4.929 4.320 0.003 0.000 0.252 205 K C -0.611 176.220 176.600 0.385 0.000 0.943 205 K CA -0.015 56.388 56.287 0.194 0.000 0.806 205 K CB 1.897 34.436 32.500 0.066 0.000 1.289 205 K HN 1.032 9.282 8.250 -0.000 0.000 0.435 206 T N -0.228 114.560 114.554 0.389 0.000 2.902 206 T HA 0.873 5.225 4.350 0.003 0.000 0.280 206 T C 0.355 175.266 174.700 0.353 0.000 0.992 206 T CA -0.433 61.924 62.100 0.427 0.000 1.015 206 T CB 1.556 70.586 68.868 0.271 0.000 1.044 206 T HN 0.649 8.889 8.240 -0.000 0.000 0.520 207 G N -0.214 108.857 108.800 0.452 0.000 2.698 207 G HA2 0.576 4.537 3.960 0.003 0.000 0.293 207 G HA3 0.576 4.537 3.960 0.003 0.000 0.293 207 G C -2.181 173.071 174.900 0.587 0.000 1.437 207 G CA -0.843 44.532 45.100 0.458 0.000 0.852 207 G HN 0.832 9.122 8.290 -0.000 0.000 0.499 208 F N 1.232 121.369 119.950 0.311 0.000 2.722 208 F HA 0.471 4.999 4.527 0.003 0.000 0.336 208 F C 0.853 176.781 175.800 0.213 0.000 1.216 208 F CA -0.724 57.420 58.000 0.240 0.000 1.065 208 F CB 1.668 40.773 39.000 0.175 0.000 1.325 208 F HN 0.597 8.897 8.300 -0.000 0.000 0.524 209 S N 3.113 118.777 115.700 -0.060 0.000 2.461 209 S HA 0.598 5.070 4.470 0.003 0.000 0.228 209 S C 0.819 175.139 174.600 -0.467 0.000 1.005 209 S CA 0.485 58.587 58.200 -0.163 0.000 0.942 209 S CB -0.353 62.843 63.200 -0.007 0.000 0.776 209 S HN 1.972 10.281 8.310 -0.000 0.000 0.514 210 G N -0.235 107.945 108.800 -1.033 0.000 2.326 210 G HA2 0.249 4.211 3.960 0.003 0.000 0.413 210 G HA3 0.249 4.211 3.960 0.003 0.000 0.413 210 G C -1.298 173.320 174.900 -0.471 0.000 1.444 210 G CA -0.611 43.936 45.100 -0.921 0.000 1.002 210 G HN 0.458 8.748 8.290 -0.000 0.000 0.649 211 V N 1.372 121.249 119.914 -0.062 0.000 2.488 211 V HA 0.610 4.732 4.120 0.003 0.000 0.277 211 V C 1.426 177.552 176.094 0.055 0.000 1.046 211 V CA 0.961 63.358 62.300 0.161 0.000 0.986 211 V CB 0.739 32.691 31.823 0.215 0.000 0.989 211 V HN 1.359 9.549 8.190 -0.000 0.000 0.475 212 G N 3.825 112.661 108.800 0.061 0.000 2.702 212 G HA2 0.652 4.613 3.960 0.003 0.000 0.254 212 G HA3 0.652 4.613 3.960 0.003 0.000 0.254 212 G C 0.079 175.005 174.900 0.043 0.000 1.380 212 G CA 0.122 45.244 45.100 0.037 0.000 1.042 212 G HN 0.749 9.039 8.290 -0.000 0.000 0.557 213 T N -3.103 111.472 114.554 0.034 0.000 2.923 213 T HA 0.361 4.712 4.350 0.003 0.000 0.281 213 T C 1.087 175.807 174.700 0.033 0.000 0.995 213 T CA 0.091 62.210 62.100 0.032 0.000 0.985 213 T CB 2.072 70.954 68.868 0.024 0.000 1.114 213 T HN 0.582 8.822 8.240 -0.000 0.000 0.548 214 E N 0.222 120.440 120.200 0.030 0.000 2.077 214 E HA -0.183 4.168 4.350 0.003 0.000 0.193 214 E C 2.012 178.629 176.600 0.029 0.000 0.989 214 E CA 1.663 58.081 56.400 0.030 0.000 0.800 214 E CB -0.220 29.495 29.700 0.025 0.000 0.746 214 E HN 0.762 9.122 8.360 -0.000 0.000 0.452 215 S N -0.525 115.190 115.700 0.025 0.000 2.470 215 S HA -0.005 4.466 4.470 0.003 0.000 0.225 215 S C 0.444 175.060 174.600 0.027 0.000 1.006 215 S CA 0.292 58.506 58.200 0.024 0.000 0.934 215 S CB -0.021 63.190 63.200 0.019 0.000 0.778 215 S HN 0.164 8.474 8.310 -0.000 0.000 0.517 216 N N 2.573 121.290 118.700 0.029 0.000 2.791 216 N HA 0.402 5.144 4.740 0.003 0.000 0.265 216 N C -3.037 172.495 175.510 0.038 0.000 1.580 216 N CA -1.271 51.798 53.050 0.032 0.000 0.809 216 N CB 1.635 40.137 38.487 0.024 0.000 1.178 216 N HN 0.356 8.736 8.380 -0.000 0.000 0.499 217 P HA 0.184 4.604 4.420 -0.000 0.000 0.274 217 P C 0.553 177.887 177.300 0.056 0.000 1.237 217 P CA -0.102 63.029 63.100 0.052 0.000 0.793 217 P CB 0.925 32.656 31.700 0.051 0.000 0.977 218 G N -0.174 108.661 108.800 0.058 0.000 2.553 218 G HA2 0.420 4.382 3.960 0.003 0.000 0.278 218 G HA3 0.420 4.382 3.960 0.003 0.000 0.278 218 G C -0.908 174.030 174.900 0.064 0.000 1.349 218 G CA -0.436 44.694 45.100 0.050 0.000 1.037 218 G HN 0.483 8.773 8.290 -0.000 0.000 0.508 219 V N -0.689 119.268 119.914 0.071 0.000 2.656 219 V HA 0.766 4.887 4.120 0.003 0.000 0.307 219 V C -0.226 175.946 176.094 0.130 0.000 1.051 219 V CA -0.285 62.008 62.300 -0.010 0.000 0.893 219 V CB 1.501 33.275 31.823 -0.082 0.000 0.999 219 V HN 1.247 9.437 8.190 -0.000 0.000 0.426 220 A N 5.576 128.433 122.820 0.062 0.000 2.365 220 A HA 0.913 5.234 4.320 0.003 0.000 0.318 220 A C -1.677 175.993 177.584 0.144 0.000 1.091 220 A CA -0.565 51.626 52.037 0.258 0.000 0.763 220 A CB 1.113 20.276 19.000 0.272 0.000 1.248 220 A HN 0.879 9.029 8.150 -0.000 0.000 0.442 221 W N 0.049 121.558 121.300 0.347 0.000 2.864 221 W HA 0.653 5.315 4.660 0.003 0.000 0.343 221 W C -1.070 175.783 176.519 0.556 0.000 1.109 221 W CA 0.026 57.620 57.345 0.416 0.000 1.192 221 W CB 1.833 31.493 29.460 0.334 0.000 1.426 221 W HN 0.722 8.902 8.180 -0.000 0.000 0.529 222 W N 4.262 126.003 121.300 0.735 0.000 2.968 222 W HA 0.610 5.272 4.660 0.003 0.000 0.337 222 W C -1.657 175.245 176.519 0.639 0.000 1.060 222 W CA -1.559 56.121 57.345 0.559 0.000 1.240 222 W CB 0.959 30.660 29.460 0.402 0.000 1.370 222 W HN 0.305 8.485 8.180 -0.000 0.000 0.459 223 V N 4.517 124.532 119.914 0.168 0.000 2.876 223 V HA 1.089 5.210 4.120 0.003 0.000 0.312 223 V C -0.099 175.539 176.094 -0.760 0.000 1.085 223 V CA -0.060 62.111 62.300 -0.215 0.000 0.945 223 V CB 1.196 33.023 31.823 0.006 0.000 1.017 223 V HN 1.251 9.441 8.190 -0.000 0.000 0.428 224 G N 2.112 110.121 108.800 -1.318 0.000 2.399 224 G HA2 0.520 4.481 3.960 0.003 0.000 0.256 224 G HA3 0.520 4.481 3.960 0.003 0.000 0.256 224 G C -1.810 172.693 174.900 -0.661 0.000 1.236 224 G CA 0.037 44.591 45.100 -0.911 0.000 0.914 224 G HN 2.200 10.490 8.290 -0.000 0.000 0.482 225 W N -1.140 119.945 121.300 -0.358 0.000 3.137 225 W HA 0.762 5.424 4.660 0.003 0.000 0.324 225 W C -1.591 174.920 176.519 -0.014 0.000 1.253 225 W CA -1.384 55.846 57.345 -0.191 0.000 1.183 225 W CB 1.252 30.491 29.460 -0.367 0.000 1.424 225 W HN 0.586 8.766 8.180 -0.000 0.000 0.566 226 V N 2.137 122.160 119.914 0.181 0.000 2.483 226 V HA 0.333 4.455 4.120 0.003 0.000 0.297 226 V C -0.644 175.452 176.094 0.003 0.000 1.027 226 V CA -0.961 61.336 62.300 -0.006 0.000 0.855 226 V CB 1.419 33.232 31.823 -0.017 0.000 0.995 226 V HN 0.599 8.789 8.190 -0.000 0.000 0.424 227 E N 3.810 123.990 120.200 -0.033 0.000 2.081 227 E HA 0.406 4.758 4.350 0.003 0.000 0.281 227 E C -0.479 176.083 176.600 -0.064 0.000 0.986 227 E CA -0.403 55.997 56.400 -0.000 0.000 0.796 227 E CB 1.559 31.334 29.700 0.126 0.000 1.085 227 E HN 0.488 8.848 8.360 -0.000 0.000 0.398 228 K N 4.098 124.523 120.400 0.041 0.000 2.394 228 K HA 0.149 4.470 4.320 0.003 0.000 0.260 228 K C -0.270 176.414 176.600 0.140 0.000 0.967 228 K CA -0.152 56.222 56.287 0.145 0.000 0.855 228 K CB 0.737 33.414 32.500 0.294 0.000 1.101 228 K HN 0.596 8.846 8.250 -0.000 0.000 0.433 229 E N 0.288 120.566 120.200 0.130 0.000 3.289 229 E HA -0.344 4.008 4.350 0.003 0.000 0.386 229 E C 0.093 176.734 176.600 0.068 0.000 1.526 229 E CA 2.425 58.882 56.400 0.096 0.000 1.519 229 E CB -0.970 28.788 29.700 0.096 0.000 1.657 229 E HN 0.802 9.162 8.360 -0.000 0.000 0.479 230 T N -1.003 113.581 114.554 0.050 0.000 3.214 230 T HA 0.397 4.749 4.350 0.003 0.000 0.264 230 T C -0.092 174.601 174.700 -0.012 0.000 1.012 230 T CA 0.243 62.360 62.100 0.028 0.000 0.901 230 T CB 0.444 69.327 68.868 0.025 0.000 1.070 230 T HN 0.238 8.478 8.240 -0.000 0.000 0.561 231 E N 0.679 120.859 120.200 -0.034 0.000 2.232 231 E HA 0.673 5.025 4.350 0.003 0.000 0.264 231 E C -1.348 175.079 176.600 -0.289 0.000 0.973 231 E CA -1.004 55.289 56.400 -0.178 0.000 0.849 231 E CB 2.081 31.661 29.700 -0.200 0.000 1.198 231 E HN 0.116 8.476 8.360 -0.000 0.000 0.407 232 V N 3.442 123.018 119.914 -0.563 0.000 2.841 232 V HA 0.576 4.698 4.120 0.003 0.000 0.310 232 V C -1.867 173.651 176.094 -0.960 0.000 1.090 232 V CA -0.498 61.406 62.300 -0.660 0.000 0.930 232 V CB 1.219 32.553 31.823 -0.815 0.000 1.014 232 V HN 0.694 8.884 8.190 -0.000 0.000 0.425 233 Y N 5.519 125.533 120.300 -0.477 0.000 2.373 233 Y HA 0.655 5.206 4.550 0.002 0.000 0.336 233 Y C -0.499 175.185 175.900 -0.360 0.000 0.979 233 Y CA -0.609 57.309 58.100 -0.302 0.000 1.080 233 Y CB 1.893 40.319 38.460 -0.056 0.000 1.190 233 Y HN 0.574 8.854 8.280 -0.000 0.000 0.446 234 F N 4.526 124.565 119.950 0.148 0.000 2.399 234 F HA 0.606 5.134 4.527 0.003 0.000 0.334 234 F C -0.282 175.611 175.800 0.155 0.000 1.097 234 F CA -1.113 56.940 58.000 0.087 0.000 1.076 234 F CB 0.923 39.887 39.000 -0.060 0.000 1.162 234 F HN 0.321 8.621 8.300 -0.000 0.000 0.495 235 F N 0.420 120.488 119.950 0.197 0.000 2.613 235 F HA 0.939 5.468 4.527 0.003 0.000 0.310 235 F C -1.352 174.540 175.800 0.153 0.000 1.085 235 F CA -1.723 56.313 58.000 0.059 0.000 0.945 235 F CB 1.417 40.450 39.000 0.055 0.000 1.298 235 F HN 0.610 8.910 8.300 -0.000 0.000 0.455 236 A N 2.689 125.727 122.820 0.362 0.000 2.459 236 A HA 0.734 5.056 4.320 0.003 0.000 0.296 236 A C -2.390 175.648 177.584 0.756 0.000 1.039 236 A CA -0.501 51.832 52.037 0.494 0.000 0.698 236 A CB 1.058 20.292 19.000 0.390 0.000 1.261 236 A HN 1.040 9.190 8.150 -0.000 0.000 0.405 237 F N 3.194 123.577 119.950 0.722 0.000 2.551 237 F HA 0.726 5.255 4.527 0.003 0.000 0.316 237 F C -0.441 175.548 175.800 0.315 0.000 1.089 237 F CA -0.496 57.874 58.000 0.617 0.000 0.915 237 F CB 1.953 41.323 39.000 0.617 0.000 1.186 237 F HN 0.793 9.093 8.300 -0.000 0.000 0.456 238 N N 5.005 123.296 118.700 -0.682 0.000 2.525 238 N HA 0.735 5.477 4.740 0.003 0.000 0.270 238 N C -1.595 173.300 175.510 -1.024 0.000 1.321 238 N CA -0.888 51.593 53.050 -0.949 0.000 0.797 238 N CB 2.020 39.505 38.487 -1.671 0.000 1.529 238 N HN 0.791 9.171 8.380 -0.000 0.000 0.491 239 M N -1.729 117.487 119.600 -0.640 0.000 2.534 239 M HA 0.553 5.034 4.480 0.003 0.000 0.280 239 M C -2.048 174.108 176.300 -0.239 0.000 1.217 239 M CA -0.844 54.246 55.300 -0.349 0.000 0.893 239 M CB 2.092 34.683 32.600 -0.015 0.000 1.730 239 M HN 0.186 8.476 8.290 -0.000 0.000 0.483 240 D N 2.475 122.788 120.400 -0.146 0.000 2.350 240 D HA 0.515 5.157 4.640 0.003 0.000 0.249 240 D C -1.086 175.227 176.300 0.022 0.000 1.119 240 D CA 0.271 54.236 54.000 -0.059 0.000 0.886 240 D CB 1.752 42.541 40.800 -0.018 0.000 1.195 240 D HN 0.679 9.049 8.370 -0.000 0.000 0.437 241 I N 1.403 122.013 120.570 0.067 0.000 2.410 241 I HA 0.195 4.367 4.170 0.003 0.000 0.286 241 I C -0.713 175.475 176.117 0.118 0.000 1.009 241 I CA -0.458 60.913 61.300 0.119 0.000 1.111 241 I CB 1.200 39.331 38.000 0.219 0.000 1.262 241 I HN 0.196 8.406 8.210 -0.000 0.000 0.443 242 D N 4.173 124.627 120.400 0.089 0.000 2.556 242 D HA 0.210 4.852 4.640 0.003 0.000 0.237 242 D C -0.488 175.851 176.300 0.066 0.000 1.296 242 D CA -0.174 53.870 54.000 0.074 0.000 0.807 242 D CB 0.114 40.945 40.800 0.052 0.000 1.084 242 D HN 0.289 8.659 8.370 -0.000 0.000 0.510 243 N N 1.011 119.753 118.700 0.069 0.000 2.478 243 N HA 0.034 4.775 4.740 0.003 0.000 0.291 243 N C 0.383 175.917 175.510 0.040 0.000 1.090 243 N CA -0.272 52.806 53.050 0.046 0.000 0.911 243 N CB 2.301 40.803 38.487 0.024 0.000 1.546 243 N HN 0.072 8.452 8.380 -0.000 0.000 0.500 244 E N 1.858 122.083 120.200 0.042 0.000 2.110 244 E HA -0.170 4.182 4.350 0.003 0.000 0.193 244 E C 0.788 177.355 176.600 -0.055 0.000 0.988 244 E CA 1.789 58.196 56.400 0.012 0.000 0.804 244 E CB 0.104 29.823 29.700 0.032 0.000 0.745 244 E HN 0.578 8.938 8.360 -0.000 0.000 0.458 245 S N -0.124 115.552 115.700 -0.040 0.000 2.547 245 S HA -0.031 4.441 4.470 0.003 0.000 0.235 245 S C 1.535 176.090 174.600 -0.075 0.000 0.980 245 S CA 0.541 58.705 58.200 -0.061 0.000 0.941 245 S CB -0.038 63.136 63.200 -0.044 0.000 0.763 245 S HN 0.218 8.528 8.310 -0.000 0.000 0.532 246 K N 0.158 120.520 120.400 -0.063 0.000 2.426 246 K HA 0.266 4.587 4.320 0.003 0.000 0.193 246 K C 1.515 178.056 176.600 -0.098 0.000 1.028 246 K CA 0.008 56.257 56.287 -0.063 0.000 1.047 246 K CB -0.189 32.299 32.500 -0.020 0.000 0.821 246 K HN 0.240 8.490 8.250 -0.000 0.000 0.513 247 L N 2.079 123.207 121.223 -0.159 0.000 2.081 247 L HA -0.135 4.207 4.340 0.003 0.000 0.212 247 L C -1.262 175.484 176.870 -0.207 0.000 1.080 247 L CA 1.919 56.615 54.840 -0.239 0.000 0.754 247 L CB -0.662 41.135 42.059 -0.436 0.000 0.893 247 L HN 0.049 8.279 8.230 -0.000 0.000 0.433 248 P HA -0.063 4.357 4.420 -0.000 0.000 0.233 248 P C 1.864 179.007 177.300 -0.261 0.000 1.167 248 P CA 0.853 63.815 63.100 -0.230 0.000 0.770 248 P CB 0.007 31.587 31.700 -0.200 0.000 0.837 249 L N 0.235 121.332 121.223 -0.210 0.000 2.187 249 L HA -0.167 4.174 4.340 0.003 0.000 0.213 249 L C 2.697 179.355 176.870 -0.355 0.000 1.100 249 L CA 1.138 55.834 54.840 -0.240 0.000 0.765 249 L CB -0.857 41.127 42.059 -0.125 0.000 0.904 249 L HN 0.075 8.305 8.230 -0.000 0.000 0.437 250 R N 1.190 121.546 120.500 -0.240 0.000 2.200 250 R HA -0.192 4.149 4.340 0.003 0.000 0.234 250 R C 1.568 177.520 176.300 -0.579 0.000 1.127 250 R CA 1.560 57.512 56.100 -0.246 0.000 0.989 250 R CB -0.217 30.125 30.300 0.070 0.000 0.869 250 R HN 0.399 8.669 8.270 -0.000 0.000 0.459 251 K N 0.460 120.479 120.400 -0.635 0.000 2.287 251 K HA 0.054 4.376 4.320 0.003 0.000 0.199 251 K C 2.225 178.425 176.600 -0.668 0.000 1.061 251 K CA 0.882 56.642 56.287 -0.880 0.000 0.976 251 K CB 0.334 32.205 32.500 -1.048 0.000 0.898 251 K HN 0.286 8.536 8.250 -0.000 0.000 0.492 252 S N 1.073 116.455 115.700 -0.530 0.000 2.428 252 S HA -0.029 4.443 4.470 0.003 0.000 0.230 252 S C 2.014 176.326 174.600 -0.480 0.000 1.014 252 S CA 0.571 58.514 58.200 -0.428 0.000 0.957 252 S CB -0.369 62.637 63.200 -0.323 0.000 0.784 252 S HN 0.131 8.441 8.310 -0.000 0.000 0.499 253 I N 2.447 122.649 120.570 -0.614 0.000 2.163 253 I HA -0.027 4.145 4.170 0.003 0.000 0.240 253 I C -0.722 174.907 176.117 -0.814 0.000 1.081 253 I CA 0.811 61.697 61.300 -0.690 0.000 1.353 253 I CB -1.139 36.400 38.000 -0.768 0.000 1.054 253 I HN 0.259 8.469 8.210 -0.000 0.000 0.407 254 P HA -0.086 4.334 4.420 -0.000 0.000 0.217 254 P C 1.629 178.490 177.300 -0.732 0.000 1.151 254 P CA 1.472 63.861 63.100 -1.185 0.000 0.828 254 P CB -0.249 30.875 31.700 -0.960 0.000 0.788 255 T N 0.426 114.712 114.554 -0.447 0.000 2.665 255 T HA -0.182 4.169 4.350 0.003 0.000 0.268 255 T C 1.741 176.256 174.700 -0.309 0.000 1.035 255 T CA 1.731 63.653 62.100 -0.297 0.000 1.151 255 T CB -0.556 68.156 68.868 -0.260 0.000 0.862 255 T HN 0.227 8.467 8.240 -0.000 0.000 0.438 256 K N 0.442 120.634 120.400 -0.347 0.000 2.057 256 K HA 0.030 4.351 4.320 0.003 0.000 0.207 256 K C 2.216 178.636 176.600 -0.299 0.000 1.049 256 K CA 1.156 57.273 56.287 -0.283 0.000 0.931 256 K CB -0.313 32.024 32.500 -0.271 0.000 0.714 256 K HN 0.332 8.582 8.250 -0.000 0.000 0.440 257 I N 0.728 121.032 120.570 -0.442 0.000 2.179 257 I HA -0.307 3.865 4.170 0.003 0.000 0.242 257 I C 2.341 178.249 176.117 -0.349 0.000 1.088 257 I CA 1.343 62.339 61.300 -0.507 0.000 1.357 257 I CB -0.240 37.255 38.000 -0.840 0.000 1.051 257 I HN 0.201 8.411 8.210 -0.000 0.000 0.409 258 M N -0.070 119.345 119.600 -0.309 0.000 2.213 258 M HA -0.196 4.285 4.480 0.003 0.000 0.263 258 M C 2.086 178.290 176.300 -0.159 0.000 1.062 258 M CA 1.671 56.853 55.300 -0.197 0.000 1.105 258 M CB -0.475 32.008 32.600 -0.194 0.000 1.385 258 M HN 0.213 8.503 8.290 -0.000 0.000 0.417 259 E N 0.424 120.527 120.200 -0.161 0.000 2.031 259 E HA -0.177 4.175 4.350 0.003 0.000 0.193 259 E C 2.114 178.665 176.600 -0.080 0.000 0.994 259 E CA 1.909 58.238 56.400 -0.117 0.000 0.800 259 E CB -0.136 29.491 29.700 -0.121 0.000 0.752 259 E HN 0.535 8.895 8.360 -0.000 0.000 0.447 260 S N 0.902 116.556 115.700 -0.077 0.000 2.423 260 S HA -0.117 4.354 4.470 0.003 0.000 0.231 260 S C 1.625 176.244 174.600 0.031 0.000 1.014 260 S CA 0.770 58.962 58.200 -0.013 0.000 0.965 260 S CB -0.062 63.143 63.200 0.009 0.000 0.785 260 S HN 0.111 8.421 8.310 -0.000 0.000 0.495 261 E N 1.084 121.292 120.200 0.014 0.000 2.482 261 E HA 0.147 4.499 4.350 0.003 0.000 0.196 261 E C 1.495 178.096 176.600 0.003 0.000 1.047 261 E CA 0.623 57.056 56.400 0.054 0.000 0.869 261 E CB -0.435 29.303 29.700 0.063 0.000 0.836 261 E HN 0.766 9.126 8.360 -0.000 0.000 0.520 262 G N 1.243 110.026 108.800 -0.028 0.000 2.143 262 G HA2 -0.305 3.657 3.960 0.003 0.000 0.249 262 G HA3 -0.305 3.657 3.960 0.003 0.000 0.249 262 G C 1.016 175.885 174.900 -0.052 0.000 0.981 262 G CA 0.510 45.595 45.100 -0.025 0.000 0.665 262 G HN 0.353 8.643 8.290 -0.000 0.000 0.528 263 I N 0.054 120.551 120.570 -0.122 0.000 2.333 263 I HA 0.174 4.346 4.170 0.003 0.000 0.246 263 I C 1.417 177.518 176.117 -0.026 0.000 1.106 263 I CA 0.896 62.103 61.300 -0.155 0.000 1.411 263 I CB -0.007 37.761 38.000 -0.386 0.000 1.082 263 I HN 0.177 8.387 8.210 -0.000 0.000 0.420 264 I N 1.201 121.731 120.570 -0.068 0.000 2.315 264 I HA 0.448 4.620 4.170 0.003 0.000 0.291 264 I C 0.321 176.371 176.117 -0.112 0.000 1.006 264 I CA -0.228 61.010 61.300 -0.103 0.000 1.265 264 I CB 0.735 38.670 38.000 -0.110 0.000 1.387 264 I HN 0.260 8.470 8.210 -0.000 0.000 0.475 265 G N 3.821 112.540 108.800 -0.136 0.000 2.629 265 G HA2 0.114 4.076 3.960 0.003 0.000 0.686 265 G HA3 0.114 4.076 3.960 0.003 0.000 0.686 265 G C -0.438 174.424 174.900 -0.063 0.000 1.232 265 G CA -0.566 44.474 45.100 -0.101 0.000 0.803 265 G HN 0.932 9.222 8.290 -0.000 0.000 0.638 266 G N 0.000 108.770 108.800 -0.049 0.000 5.446 266 G HA2 0.000 3.962 3.960 0.003 0.000 0.244 266 G HA3 0.000 3.962 3.960 0.003 0.000 0.244 266 G CA 0.000 45.086 45.100 -0.024 0.000 0.502 266 G HN 0.000 8.290 8.290 -0.000 0.000 0.925