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 1b47_1_A DATA FIRST_RESID 47 DATA SEQUENCE PPGTVDKKMV EKCWKLMDKV VRLCQNPKLA LKNSPPYILD LLPDTYQHLR DATA SEQUENCE TILSRYEGKM ETLGENEYFR VFMENLMKKT KQTISLFKEG KERMYEENSQ DATA SEQUENCE PRRNLTKLSL IFSHMLAELK GIFPSGLFQG DTFRITKADA AEFWRKAFGE DATA SEQUENCE KTIVPWKSFR QALHEVHPIS SGLEAMALKS TIDLTCNDYI SVFEFDIFTR DATA SEQUENCE LFQPWSSLLR NWNSLAVTHP GYMAFLTYDE VKARLQKFIH KPGSYIFRLS DATA SEQUENCE CTRLGQWAIG YVTADGNILQ TIPHNKPLFQ ALIDGFREGF YLFPDGRNQN DATA SEQUENCE PDLT 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 47 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 47 P C 0.000 177.329 177.300 0.048 0.000 1.155 47 P CA 0.000 63.144 63.100 0.073 0.000 0.800 47 P CB 0.000 31.727 31.700 0.044 0.000 0.726 48 P HA 0.561 4.981 4.420 -0.000 0.000 0.290 48 P C 0.580 177.870 177.300 -0.016 0.000 1.276 48 P CA 0.184 63.282 63.100 -0.004 0.000 0.808 48 P CB 1.677 33.350 31.700 -0.044 0.000 0.966 49 G N 1.606 110.390 108.800 -0.028 0.000 2.554 49 G HA2 0.267 4.228 3.960 0.001 0.000 0.238 49 G HA3 0.267 4.228 3.960 0.001 0.000 0.238 49 G C -0.113 174.765 174.900 -0.036 0.000 1.259 49 G CA -0.274 44.809 45.100 -0.029 0.000 0.843 49 G HN 0.522 8.812 8.290 -0.000 0.000 0.582 50 T N 0.466 115.006 114.554 -0.023 0.000 2.919 50 T HA 0.305 4.655 4.350 0.001 0.000 0.302 50 T C 0.428 175.116 174.700 -0.020 0.000 1.031 50 T CA -0.269 61.824 62.100 -0.013 0.000 1.127 50 T CB 1.467 70.332 68.868 -0.005 0.000 0.952 50 T HN 0.276 8.516 8.240 -0.000 0.000 0.540 51 V N 4.189 124.103 119.914 0.000 0.000 2.427 51 V HA 0.442 4.562 4.120 0.001 0.000 0.286 51 V C -0.234 175.869 176.094 0.015 0.000 1.034 51 V CA -0.826 61.469 62.300 -0.008 0.000 0.893 51 V CB 1.282 33.125 31.823 0.033 0.000 0.982 51 V HN 1.040 9.230 8.190 -0.000 0.000 0.452 52 D N 2.781 123.167 120.400 -0.023 0.000 2.490 52 D HA 0.403 5.044 4.640 0.001 0.000 0.232 52 D C 0.653 176.913 176.300 -0.067 0.000 1.053 52 D CA -0.949 53.037 54.000 -0.023 0.000 0.914 52 D CB 1.251 42.036 40.800 -0.024 0.000 1.431 52 D HN 0.082 8.452 8.370 -0.000 0.000 0.483 53 K N 0.218 120.579 120.400 -0.065 0.000 2.097 53 K HA -0.313 4.008 4.320 0.001 0.000 0.214 53 K C 1.699 178.203 176.600 -0.159 0.000 1.052 53 K CA 1.672 57.884 56.287 -0.125 0.000 0.932 53 K CB -0.204 32.258 32.500 -0.064 0.000 0.716 53 K HN 0.548 8.798 8.250 -0.000 0.000 0.455 54 K N 0.865 121.207 120.400 -0.098 0.000 2.052 54 K HA -0.234 4.087 4.320 0.001 0.000 0.215 54 K C 2.203 178.721 176.600 -0.136 0.000 1.053 54 K CA 2.049 58.281 56.287 -0.093 0.000 0.934 54 K CB -0.210 32.254 32.500 -0.059 0.000 0.717 54 K HN 0.189 8.439 8.250 -0.000 0.000 0.450 55 M N 1.033 120.549 119.600 -0.140 0.000 2.086 55 M HA -0.172 4.309 4.480 0.001 0.000 0.261 55 M C 2.176 178.330 176.300 -0.244 0.000 1.067 55 M CA 2.018 57.223 55.300 -0.158 0.000 1.116 55 M CB -0.199 32.317 32.600 -0.140 0.000 1.348 55 M HN 0.177 8.467 8.290 -0.000 0.000 0.407 56 V N 0.135 119.845 119.914 -0.340 0.000 2.324 56 V HA -0.257 3.864 4.120 0.001 0.000 0.250 56 V C 1.927 177.532 176.094 -0.814 0.000 1.060 56 V CA 2.323 64.246 62.300 -0.628 0.000 1.042 56 V CB -1.219 30.157 31.823 -0.745 0.000 0.650 56 V HN 0.601 8.791 8.190 -0.000 0.000 0.450 57 E N 0.982 120.865 120.200 -0.528 0.000 2.072 57 E HA -0.228 4.122 4.350 0.001 0.000 0.191 57 E C 2.205 178.762 176.600 -0.071 0.000 0.985 57 E CA 1.549 57.797 56.400 -0.253 0.000 0.801 57 E CB -0.535 29.126 29.700 -0.066 0.000 0.750 57 E HN 0.719 9.079 8.360 -0.000 0.000 0.452 58 K N 1.223 121.563 120.400 -0.101 0.000 2.211 58 K HA -0.098 4.222 4.320 0.001 0.000 0.203 58 K C 2.183 178.763 176.600 -0.034 0.000 1.050 58 K CA 0.784 57.043 56.287 -0.046 0.000 0.945 58 K CB -0.192 32.274 32.500 -0.056 0.000 0.732 58 K HN 0.146 8.396 8.250 -0.000 0.000 0.451 59 C N 0.609 119.857 119.300 -0.086 0.000 2.453 59 C HA -0.096 4.365 4.460 0.001 0.000 0.277 59 C C 2.375 177.443 174.990 0.130 0.000 1.262 59 C CA 0.378 59.380 59.018 -0.027 0.000 1.718 59 C CB -1.235 26.444 27.740 -0.102 0.000 2.031 59 C HN 0.675 8.905 8.230 -0.000 0.000 0.480 60 W N 1.305 122.616 121.300 0.018 0.000 2.338 60 W HA -0.090 4.571 4.660 0.002 0.000 0.304 60 W C 2.561 179.040 176.519 -0.067 0.000 1.212 60 W CA 1.642 58.987 57.345 -0.000 0.000 1.264 60 W CB -1.387 28.103 29.460 0.051 0.000 1.142 60 W HN 0.449 8.629 8.180 -0.000 0.000 0.512 61 K N -0.172 120.341 120.400 0.188 0.000 2.032 61 K HA -0.216 4.105 4.320 0.001 0.000 0.209 61 K C 1.923 178.539 176.600 0.027 0.000 1.048 61 K CA 1.625 57.953 56.287 0.069 0.000 0.927 61 K CB -0.402 32.128 32.500 0.049 0.000 0.712 61 K HN -0.098 8.152 8.250 -0.000 0.000 0.441 62 L N 0.897 122.138 121.223 0.030 0.000 2.027 62 L HA -0.068 4.273 4.340 0.001 0.000 0.206 62 L C 2.406 179.273 176.870 -0.005 0.000 1.074 62 L CA 1.649 56.495 54.840 0.009 0.000 0.745 62 L CB -1.048 41.021 42.059 0.016 0.000 0.898 62 L HN 0.344 8.574 8.230 -0.000 0.000 0.433 63 M N -0.644 118.967 119.600 0.020 0.000 2.106 63 M HA -0.293 4.188 4.480 0.001 0.000 0.259 63 M C 1.882 178.126 176.300 -0.094 0.000 1.068 63 M CA 2.000 57.279 55.300 -0.034 0.000 1.100 63 M CB -0.561 32.060 32.600 0.036 0.000 1.351 63 M HN 0.196 8.486 8.290 -0.000 0.000 0.404 64 D N 0.081 120.431 120.400 -0.083 0.000 2.182 64 D HA -0.162 4.479 4.640 0.001 0.000 0.201 64 D C 2.046 178.275 176.300 -0.117 0.000 0.986 64 D CA 0.990 54.916 54.000 -0.123 0.000 0.847 64 D CB 0.164 40.900 40.800 -0.107 0.000 0.942 64 D HN -0.006 8.364 8.370 -0.000 0.000 0.467 65 K N 0.080 120.425 120.400 -0.093 0.000 2.097 65 K HA -0.056 4.265 4.320 0.001 0.000 0.206 65 K C 1.918 178.427 176.600 -0.152 0.000 1.049 65 K CA 0.459 56.683 56.287 -0.106 0.000 0.933 65 K CB -0.402 32.054 32.500 -0.074 0.000 0.717 65 K HN 0.136 8.386 8.250 -0.000 0.000 0.442 66 V N 0.433 120.261 119.914 -0.143 0.000 2.407 66 V HA -0.161 3.959 4.120 0.001 0.000 0.245 66 V C 2.421 178.396 176.094 -0.198 0.000 1.041 66 V CA 0.937 63.137 62.300 -0.166 0.000 1.040 66 V CB -0.121 31.631 31.823 -0.119 0.000 0.671 66 V HN -0.042 8.148 8.190 -0.000 0.000 0.455 67 V N 0.531 120.332 119.914 -0.189 0.000 2.250 67 V HA -0.349 3.772 4.120 0.001 0.000 0.250 67 V C 2.598 178.590 176.094 -0.170 0.000 1.060 67 V CA 2.470 64.660 62.300 -0.183 0.000 1.030 67 V CB -0.858 30.859 31.823 -0.178 0.000 0.643 67 V HN 0.518 8.708 8.190 -0.000 0.000 0.445 68 R N -0.481 119.917 120.500 -0.169 0.000 2.075 68 R HA -0.071 4.269 4.340 0.001 0.000 0.232 68 R C 2.336 178.513 176.300 -0.206 0.000 1.126 68 R CA 1.351 57.357 56.100 -0.157 0.000 0.963 68 R CB -0.501 29.718 30.300 -0.134 0.000 0.858 68 R HN 0.404 8.674 8.270 -0.000 0.000 0.435 69 L N 0.109 121.144 121.223 -0.315 0.000 2.046 69 L HA -0.229 4.112 4.340 0.001 0.000 0.208 69 L C 2.326 178.919 176.870 -0.461 0.000 1.077 69 L CA 1.066 55.562 54.840 -0.573 0.000 0.747 69 L CB -0.307 41.138 42.059 -1.022 0.000 0.896 69 L HN 0.340 8.570 8.230 -0.000 0.000 0.432 70 C N -1.052 118.098 119.300 -0.250 0.000 2.539 70 C HA -0.052 4.408 4.460 0.001 0.000 0.268 70 C C 2.392 177.377 174.990 -0.008 0.000 1.395 70 C CA -0.072 58.935 59.018 -0.018 0.000 1.757 70 C CB -0.835 26.908 27.740 0.005 0.000 1.851 70 C HN 0.502 8.732 8.230 -0.000 0.000 0.545 71 Q N 1.217 120.979 119.800 -0.064 0.000 2.515 71 Q HA -0.016 4.325 4.340 0.001 0.000 0.212 71 Q C 0.626 176.619 176.000 -0.013 0.000 0.970 71 Q CA 0.101 55.883 55.803 -0.035 0.000 0.941 71 Q CB -0.200 28.503 28.738 -0.059 0.000 0.998 71 Q HN 0.587 8.857 8.270 -0.000 0.000 0.518 72 N N 1.381 120.082 118.700 0.002 0.000 2.452 72 N HA 0.007 4.748 4.740 0.001 0.000 0.266 72 N C -2.029 173.479 175.510 -0.003 0.000 1.175 72 N CA -1.655 51.391 53.050 -0.006 0.000 0.945 72 N CB 1.224 39.722 38.487 0.018 0.000 1.063 72 N HN -0.149 8.231 8.380 -0.000 0.000 0.472 73 P HA -0.179 4.241 4.420 -0.000 0.000 0.217 73 P C 0.886 178.151 177.300 -0.059 0.000 1.151 73 P CA 1.617 64.696 63.100 -0.034 0.000 0.849 73 P CB 0.286 31.956 31.700 -0.050 0.000 0.787 74 K N -0.653 119.654 120.400 -0.154 0.000 2.152 74 K HA -0.102 4.219 4.320 0.001 0.000 0.206 74 K C 2.061 178.597 176.600 -0.106 0.000 1.048 74 K CA 1.054 57.167 56.287 -0.290 0.000 0.933 74 K CB -0.683 31.364 32.500 -0.755 0.000 0.721 74 K HN 0.259 8.509 8.250 -0.000 0.000 0.447 75 L N 0.433 121.701 121.223 0.075 0.000 2.046 75 L HA -0.108 4.232 4.340 0.001 0.000 0.208 75 L C 1.281 178.239 176.870 0.147 0.000 1.077 75 L CA 0.953 55.941 54.840 0.247 0.000 0.747 75 L CB -0.854 41.373 42.059 0.280 0.000 0.896 75 L HN 0.248 8.478 8.230 -0.000 0.000 0.432 76 A N 0.298 123.172 122.820 0.090 0.000 2.791 76 A HA -0.208 4.113 4.320 0.001 0.000 0.292 76 A C 0.272 177.913 177.584 0.096 0.000 1.487 76 A CA 0.063 52.143 52.037 0.073 0.000 0.760 76 A CB -2.255 16.777 19.000 0.053 0.000 1.031 76 A HN 0.263 8.413 8.150 -0.000 0.000 0.503 77 L N -0.153 121.151 121.223 0.134 0.000 2.700 77 L HA 0.391 4.732 4.340 0.001 0.000 0.276 77 L C 1.008 177.964 176.870 0.144 0.000 1.200 77 L CA 1.959 56.904 54.840 0.176 0.000 0.951 77 L CB -0.590 41.620 42.059 0.252 0.000 1.226 77 L HN 0.852 9.082 8.230 -0.000 0.000 0.489 78 K N 3.496 123.951 120.400 0.091 0.000 2.326 78 K HA 0.165 4.486 4.320 0.001 0.000 0.275 78 K C 0.869 177.380 176.600 -0.149 0.000 1.018 78 K CA 0.178 56.460 56.287 -0.008 0.000 0.962 78 K CB -0.139 32.361 32.500 -0.001 0.000 0.953 78 K HN 0.819 9.069 8.250 -0.000 0.000 0.475 79 N N 0.220 118.696 118.700 -0.374 0.000 2.434 79 N HA -0.038 4.703 4.740 0.001 0.000 0.196 79 N C -0.580 174.624 175.510 -0.509 0.000 1.183 79 N CA 0.123 52.632 53.050 -0.902 0.000 0.849 79 N CB -0.255 37.825 38.487 -0.678 0.000 0.992 79 N HN 0.403 8.783 8.380 -0.000 0.000 0.460 80 S N 1.327 116.903 115.700 -0.207 0.000 2.584 80 S HA 0.356 4.827 4.470 0.001 0.000 0.273 80 S C -2.563 172.047 174.600 0.017 0.000 1.311 80 S CA -1.108 57.050 58.200 -0.069 0.000 1.034 80 S CB 0.931 64.120 63.200 -0.018 0.000 0.939 80 S HN 0.203 8.513 8.310 -0.000 0.000 0.513 81 P HA 0.216 4.636 4.420 -0.000 0.000 0.267 81 P C -2.382 174.969 177.300 0.084 0.000 1.205 81 P CA -0.891 62.266 63.100 0.095 0.000 0.765 81 P CB -0.273 31.483 31.700 0.092 0.000 0.828 82 P HA 0.225 4.645 4.420 -0.000 0.000 0.294 82 P C -1.672 175.735 177.300 0.179 0.000 1.294 82 P CA -0.433 62.720 63.100 0.089 0.000 0.827 82 P CB 0.836 32.539 31.700 0.005 0.000 0.992 83 Y N 3.136 123.450 120.300 0.023 0.000 2.345 83 Y HA 0.292 4.843 4.550 0.003 0.000 0.331 83 Y C 1.103 177.012 175.900 0.014 0.000 0.959 83 Y CA -0.950 57.164 58.100 0.023 0.000 1.204 83 Y CB 1.034 39.508 38.460 0.023 0.000 1.135 83 Y HN 0.339 8.619 8.280 -0.000 0.000 0.477 84 I N 4.631 125.099 120.570 -0.170 0.000 2.493 84 I HA -0.231 3.939 4.170 0.001 0.000 0.254 84 I C 1.235 177.112 176.117 -0.400 0.000 1.160 84 I CA 1.399 62.559 61.300 -0.233 0.000 1.445 84 I CB 0.253 38.169 38.000 -0.139 0.000 1.086 84 I HN 0.748 8.958 8.210 -0.000 0.000 0.433 85 L N 0.038 120.797 121.223 -0.774 0.000 2.291 85 L HA -0.149 4.192 4.340 0.001 0.000 0.214 85 L C 1.831 178.458 176.870 -0.406 0.000 1.120 85 L CA 0.678 55.138 54.840 -0.634 0.000 0.799 85 L CB -0.627 41.023 42.059 -0.683 0.000 0.925 85 L HN 0.222 8.452 8.230 -0.000 0.000 0.446 86 D N 0.139 120.346 120.400 -0.322 0.000 2.149 86 D HA -0.058 4.583 4.640 0.001 0.000 0.206 86 D C 2.417 178.692 176.300 -0.042 0.000 0.967 86 D CA 0.947 54.918 54.000 -0.049 0.000 0.848 86 D CB -0.104 40.767 40.800 0.118 0.000 0.998 86 D HN 0.183 8.553 8.370 -0.000 0.000 0.474 87 L N 0.228 121.422 121.223 -0.049 0.000 2.012 87 L HA -0.199 4.142 4.340 0.001 0.000 0.210 87 L C 2.309 179.153 176.870 -0.044 0.000 1.073 87 L CA 0.669 55.501 54.840 -0.013 0.000 0.748 87 L CB -0.412 41.656 42.059 0.015 0.000 0.891 87 L HN 0.049 8.279 8.230 -0.000 0.000 0.431 88 L N -0.436 120.700 121.223 -0.146 0.000 2.046 88 L HA -0.101 4.239 4.340 0.001 0.000 0.208 88 L C -0.250 176.602 176.870 -0.031 0.000 1.077 88 L CA 2.118 56.869 54.840 -0.148 0.000 0.747 88 L CB -1.793 40.100 42.059 -0.276 0.000 0.896 88 L HN 0.159 8.389 8.230 -0.000 0.000 0.432 89 P HA -0.024 4.396 4.420 -0.000 0.000 0.224 89 P C 0.879 178.243 177.300 0.106 0.000 1.157 89 P CA 0.855 63.987 63.100 0.053 0.000 0.799 89 P CB 0.148 31.848 31.700 -0.000 0.000 0.809 90 D N -1.231 119.208 120.400 0.066 0.000 2.144 90 D HA -0.088 4.552 4.640 0.001 0.000 0.200 90 D C 1.798 178.165 176.300 0.111 0.000 0.978 90 D CA 1.372 55.418 54.000 0.077 0.000 0.833 90 D CB -0.906 39.934 40.800 0.067 0.000 0.961 90 D HN 0.087 8.457 8.370 -0.000 0.000 0.470 91 T N -0.032 114.601 114.554 0.131 0.000 2.708 91 T HA -0.198 4.152 4.350 0.001 0.000 0.266 91 T C 1.786 176.619 174.700 0.222 0.000 1.037 91 T CA 1.022 63.242 62.100 0.201 0.000 1.146 91 T CB -0.547 68.457 68.868 0.227 0.000 0.865 91 T HN 0.227 8.467 8.240 -0.000 0.000 0.435 92 Y N 2.130 122.459 120.300 0.049 0.000 2.207 92 Y HA -0.203 4.347 4.550 0.001 0.000 0.287 92 Y C 2.493 178.340 175.900 -0.088 0.000 1.156 92 Y CA 1.323 59.379 58.100 -0.075 0.000 1.182 92 Y CB -0.412 37.875 38.460 -0.289 0.000 0.979 92 Y HN 0.101 8.381 8.280 -0.000 0.000 0.521 93 Q N -0.736 118.913 119.800 -0.253 0.000 2.046 93 Q HA -0.235 4.106 4.340 0.001 0.000 0.200 93 Q C 2.227 178.146 176.000 -0.136 0.000 0.975 93 Q CA 2.046 57.675 55.803 -0.291 0.000 0.836 93 Q CB -0.796 27.883 28.738 -0.098 0.000 0.896 93 Q HN 0.677 8.947 8.270 -0.000 0.000 0.428 94 H N 0.723 119.755 119.070 -0.062 0.000 2.387 94 H HA -0.015 4.542 4.556 0.001 0.000 0.299 94 H C 2.066 177.389 175.328 -0.008 0.000 1.090 94 H CA 1.212 57.248 56.048 -0.020 0.000 1.332 94 H CB -0.104 29.665 29.762 0.012 0.000 1.386 94 H HN 0.077 8.357 8.280 -0.000 0.000 0.516 95 L N -0.266 121.027 121.223 0.116 0.000 2.127 95 L HA -0.191 4.150 4.340 0.001 0.000 0.211 95 L C 2.541 179.489 176.870 0.129 0.000 1.089 95 L CA 1.086 56.035 54.840 0.181 0.000 0.757 95 L CB -0.254 42.066 42.059 0.436 0.000 0.899 95 L HN 0.310 8.540 8.230 -0.000 0.000 0.434 96 R N -0.666 119.827 120.500 -0.012 0.000 2.062 96 R HA -0.064 4.276 4.340 0.001 0.000 0.229 96 R C 2.241 178.500 176.300 -0.069 0.000 1.128 96 R CA 1.704 57.784 56.100 -0.033 0.000 0.960 96 R CB -1.017 29.130 30.300 -0.256 0.000 0.855 96 R HN 0.320 8.590 8.270 -0.000 0.000 0.432 97 T N 2.434 116.897 114.554 -0.151 0.000 2.592 97 T HA -0.214 4.136 4.350 0.001 0.000 0.267 97 T C 2.071 176.704 174.700 -0.112 0.000 1.060 97 T CA 1.899 63.904 62.100 -0.159 0.000 1.167 97 T CB -0.433 68.279 68.868 -0.260 0.000 0.863 97 T HN 0.156 8.396 8.240 -0.000 0.000 0.431 98 I N 0.314 120.777 120.570 -0.179 0.000 2.113 98 I HA -0.206 3.965 4.170 0.001 0.000 0.242 98 I C 2.349 178.493 176.117 0.044 0.000 1.064 98 I CA 1.059 62.306 61.300 -0.088 0.000 1.320 98 I CB -0.425 37.372 38.000 -0.338 0.000 1.028 98 I HN 0.149 8.359 8.210 -0.000 0.000 0.406 99 L N 0.382 121.619 121.223 0.024 0.000 2.012 99 L HA -0.259 4.082 4.340 0.001 0.000 0.210 99 L C 2.833 179.760 176.870 0.095 0.000 1.073 99 L CA 2.265 57.152 54.840 0.078 0.000 0.748 99 L CB -1.271 40.862 42.059 0.122 0.000 0.891 99 L HN 0.349 8.579 8.230 -0.000 0.000 0.431 100 S N -1.000 114.733 115.700 0.054 0.000 2.368 100 S HA -0.218 4.253 4.470 0.001 0.000 0.225 100 S C 2.221 176.831 174.600 0.017 0.000 1.030 100 S CA 0.798 59.016 58.200 0.030 0.000 0.999 100 S CB -0.171 63.030 63.200 0.002 0.000 0.844 100 S HN 0.316 8.626 8.310 -0.000 0.000 0.459 101 R N -0.248 120.266 120.500 0.023 0.000 2.170 101 R HA -0.031 4.310 4.340 0.001 0.000 0.242 101 R C 0.697 176.860 176.300 -0.229 0.000 1.145 101 R CA 1.171 57.233 56.100 -0.063 0.000 0.984 101 R CB -0.787 29.512 30.300 -0.001 0.000 0.869 101 R HN 0.622 8.892 8.270 -0.000 0.000 0.455 102 Y N 0.375 120.661 120.300 -0.024 0.000 2.683 102 Y HA 0.142 4.693 4.550 0.001 0.000 0.297 102 Y C 1.567 177.455 175.900 -0.019 0.000 1.147 102 Y CA -0.403 57.681 58.100 -0.027 0.000 1.274 102 Y CB 0.360 38.782 38.460 -0.063 0.000 1.143 102 Y HN -0.094 8.186 8.280 -0.000 0.000 0.527 103 E N 0.029 120.245 120.200 0.026 0.000 2.114 103 E HA -0.176 4.174 4.350 0.001 0.000 0.199 103 E C 1.916 178.534 176.600 0.031 0.000 1.008 103 E CA 1.627 58.046 56.400 0.031 0.000 0.810 103 E CB -0.132 29.573 29.700 0.007 0.000 0.739 103 E HN 0.568 8.928 8.360 -0.000 0.000 0.456 104 G N -0.566 108.243 108.800 0.016 0.000 3.443 104 G HA2 0.042 4.003 3.960 0.001 0.000 0.252 104 G HA3 0.042 4.003 3.960 0.001 0.000 0.252 104 G C 0.727 175.642 174.900 0.026 0.000 1.015 104 G CA -0.381 44.731 45.100 0.020 0.000 0.891 104 G HN 0.011 8.301 8.290 -0.000 0.000 0.510 105 K N 0.745 121.163 120.400 0.029 0.000 2.790 105 K HA 0.283 4.604 4.320 0.001 0.000 0.229 105 K C 1.549 178.234 176.600 0.143 0.000 1.040 105 K CA -0.286 56.041 56.287 0.068 0.000 1.211 105 K CB -0.022 32.502 32.500 0.042 0.000 1.002 105 K HN 0.222 8.472 8.250 -0.000 0.000 0.479 106 M N 0.633 120.294 119.600 0.102 0.000 2.557 106 M HA -0.158 4.323 4.480 0.001 0.000 0.259 106 M C 2.092 178.426 176.300 0.056 0.000 1.086 106 M CA 1.464 56.820 55.300 0.094 0.000 1.096 106 M CB 0.033 32.676 32.600 0.072 0.000 1.424 106 M HN 0.418 8.708 8.290 -0.000 0.000 0.488 107 E N -0.509 119.720 120.200 0.048 0.000 2.230 107 E HA -0.124 4.227 4.350 0.001 0.000 0.192 107 E C 1.717 178.331 176.600 0.023 0.000 0.987 107 E CA 1.338 57.755 56.400 0.029 0.000 0.841 107 E CB -1.041 28.673 29.700 0.024 0.000 0.783 107 E HN 0.582 8.942 8.360 -0.000 0.000 0.481 108 T N -0.801 113.779 114.554 0.044 0.000 3.072 108 T HA 0.002 4.353 4.350 0.001 0.000 0.266 108 T C 1.880 176.565 174.700 -0.025 0.000 1.127 108 T CA 1.269 63.389 62.100 0.034 0.000 1.107 108 T CB -0.241 68.665 68.868 0.065 0.000 0.910 108 T HN 0.284 8.524 8.240 -0.000 0.000 0.513 109 L N 0.595 121.774 121.223 -0.075 0.000 2.202 109 L HA 0.487 4.827 4.340 0.001 0.000 0.205 109 L C 2.498 179.265 176.870 -0.171 0.000 1.083 109 L CA 1.657 56.282 54.840 -0.358 0.000 0.790 109 L CB -0.790 40.916 42.059 -0.587 0.000 0.942 109 L HN 0.294 8.524 8.230 -0.000 0.000 0.452 110 G N -1.306 107.474 108.800 -0.034 0.000 2.650 110 G HA2 -0.073 3.887 3.960 0.001 0.000 0.214 110 G HA3 -0.073 3.887 3.960 0.001 0.000 0.214 110 G C 1.298 176.227 174.900 0.048 0.000 1.136 110 G CA 0.763 45.901 45.100 0.064 0.000 0.789 110 G HN 0.501 8.791 8.290 -0.000 0.000 0.536 111 E N 0.595 120.799 120.200 0.007 0.000 2.276 111 E HA 0.063 4.414 4.350 0.001 0.000 0.193 111 E C 1.198 177.790 176.600 -0.013 0.000 0.983 111 E CA -0.220 56.180 56.400 -0.001 0.000 0.861 111 E CB -0.508 29.186 29.700 -0.009 0.000 0.817 111 E HN 0.449 8.809 8.360 -0.000 0.000 0.485 112 N N 0.818 119.488 118.700 -0.050 0.000 2.359 112 N HA -0.108 4.632 4.740 0.001 0.000 0.261 112 N C 0.784 176.306 175.510 0.019 0.000 1.267 112 N CA 0.713 53.702 53.050 -0.101 0.000 0.864 112 N CB 0.970 39.320 38.487 -0.230 0.000 1.063 112 N HN 0.566 8.946 8.380 -0.000 0.000 0.474 113 E N 4.181 124.394 120.200 0.022 0.000 2.046 113 E HA -0.237 4.114 4.350 0.001 0.000 0.190 113 E C 1.317 177.953 176.600 0.059 0.000 0.982 113 E CA 0.690 57.117 56.400 0.044 0.000 0.800 113 E CB -0.216 29.523 29.700 0.065 0.000 0.756 113 E HN 0.770 9.130 8.360 -0.000 0.000 0.449 114 Y N 0.417 120.760 120.300 0.073 0.000 2.062 114 Y HA -0.343 4.207 4.550 0.001 0.000 0.276 114 Y C 2.026 178.070 175.900 0.239 0.000 1.189 114 Y CA 2.405 60.601 58.100 0.160 0.000 1.130 114 Y CB -0.638 37.998 38.460 0.294 0.000 0.959 114 Y HN 0.187 8.467 8.280 -0.000 0.000 0.499 115 F N 0.997 120.986 119.950 0.065 0.000 2.134 115 F HA -0.184 4.343 4.527 0.001 0.000 0.299 115 F C 2.400 178.146 175.800 -0.090 0.000 1.097 115 F CA 1.954 59.938 58.000 -0.027 0.000 1.264 115 F CB -0.524 38.481 39.000 0.007 0.000 1.001 115 F HN -0.003 8.297 8.300 -0.000 0.000 0.479 116 R N -0.544 119.942 120.500 -0.024 0.000 2.091 116 R HA -0.155 4.186 4.340 0.001 0.000 0.238 116 R C 2.124 178.292 176.300 -0.220 0.000 1.136 116 R CA 1.693 57.709 56.100 -0.140 0.000 0.959 116 R CB -1.020 29.240 30.300 -0.066 0.000 0.856 116 R HN 0.239 8.509 8.270 -0.000 0.000 0.437 117 V N 0.934 120.684 119.914 -0.273 0.000 2.270 117 V HA -0.243 3.877 4.120 0.001 0.000 0.245 117 V C 1.977 177.866 176.094 -0.341 0.000 1.043 117 V CA 1.727 63.803 62.300 -0.372 0.000 1.014 117 V CB -0.649 30.815 31.823 -0.599 0.000 0.645 117 V HN 0.156 8.346 8.190 -0.000 0.000 0.447 118 F N 0.277 119.892 119.950 -0.559 0.000 2.024 118 F HA -0.336 4.191 4.527 0.001 0.000 0.296 118 F C 2.525 178.099 175.800 -0.377 0.000 1.137 118 F CA 2.430 60.141 58.000 -0.482 0.000 1.200 118 F CB -0.311 38.352 39.000 -0.561 0.000 0.954 118 F HN 0.036 8.336 8.300 -0.000 0.000 0.497 119 M N 0.079 119.490 119.600 -0.315 0.000 2.082 119 M HA -0.259 4.221 4.480 0.001 0.000 0.258 119 M C 2.223 178.338 176.300 -0.309 0.000 1.069 119 M CA 1.983 57.065 55.300 -0.362 0.000 1.102 119 M CB -1.670 30.640 32.600 -0.484 0.000 1.336 119 M HN 0.401 8.691 8.290 -0.000 0.000 0.404 120 E N 0.330 120.372 120.200 -0.264 0.000 2.070 120 E HA -0.269 4.081 4.350 0.001 0.000 0.197 120 E C 1.825 178.299 176.600 -0.210 0.000 1.004 120 E CA 1.760 58.042 56.400 -0.196 0.000 0.805 120 E CB -0.088 29.521 29.700 -0.152 0.000 0.744 120 E HN 0.448 8.808 8.360 -0.000 0.000 0.451 121 N N 0.019 118.551 118.700 -0.280 0.000 2.223 121 N HA -0.163 4.577 4.740 0.001 0.000 0.185 121 N C 1.774 177.097 175.510 -0.312 0.000 1.016 121 N CA 0.817 53.698 53.050 -0.281 0.000 0.863 121 N CB -0.168 38.139 38.487 -0.299 0.000 0.983 121 N HN 0.219 8.599 8.380 -0.000 0.000 0.429 122 L N 0.231 121.205 121.223 -0.414 0.000 2.109 122 L HA 0.016 4.357 4.340 0.001 0.000 0.207 122 L C 1.969 178.779 176.870 -0.100 0.000 1.086 122 L CA 1.359 56.030 54.840 -0.281 0.000 0.760 122 L CB -0.451 41.391 42.059 -0.362 0.000 0.910 122 L HN 0.184 8.414 8.230 -0.000 0.000 0.437 123 M N -0.635 118.890 119.600 -0.126 0.000 2.086 123 M HA -0.237 4.244 4.480 0.001 0.000 0.261 123 M C 2.335 178.605 176.300 -0.049 0.000 1.067 123 M CA 1.815 57.074 55.300 -0.068 0.000 1.116 123 M CB -1.201 31.349 32.600 -0.083 0.000 1.348 123 M HN 0.268 8.558 8.290 -0.000 0.000 0.407 124 K N 0.848 121.198 120.400 -0.082 0.000 2.009 124 K HA -0.151 4.170 4.320 0.001 0.000 0.210 124 K C 2.117 178.683 176.600 -0.056 0.000 1.049 124 K CA 1.276 57.522 56.287 -0.067 0.000 0.929 124 K CB 0.096 32.545 32.500 -0.084 0.000 0.714 124 K HN 0.093 8.343 8.250 -0.000 0.000 0.440 125 K N 0.012 120.354 120.400 -0.098 0.000 2.209 125 K HA -0.077 4.244 4.320 0.001 0.000 0.204 125 K C 2.039 178.687 176.600 0.079 0.000 1.048 125 K CA 1.499 57.709 56.287 -0.128 0.000 0.940 125 K CB -0.262 32.001 32.500 -0.394 0.000 0.729 125 K HN 0.289 8.539 8.250 -0.000 0.000 0.451 126 T N 1.311 115.965 114.554 0.167 0.000 2.851 126 T HA -0.024 4.327 4.350 0.001 0.000 0.262 126 T C 1.797 176.569 174.700 0.119 0.000 1.043 126 T CA 0.897 63.130 62.100 0.222 0.000 1.140 126 T CB 0.038 68.993 68.868 0.145 0.000 0.872 126 T HN 0.244 8.484 8.240 -0.000 0.000 0.446 127 K N 1.394 121.830 120.400 0.060 0.000 2.074 127 K HA -0.218 4.102 4.320 0.001 0.000 0.209 127 K C 2.514 179.145 176.600 0.051 0.000 1.048 127 K CA 1.512 57.824 56.287 0.041 0.000 0.926 127 K CB -0.227 32.281 32.500 0.014 0.000 0.713 127 K HN 0.430 8.680 8.250 -0.000 0.000 0.444 128 Q N 0.775 120.601 119.800 0.042 0.000 2.170 128 Q HA -0.142 4.199 4.340 0.001 0.000 0.203 128 Q C 1.466 177.510 176.000 0.073 0.000 0.976 128 Q CA 1.791 57.614 55.803 0.034 0.000 0.858 128 Q CB -0.013 28.722 28.738 -0.005 0.000 0.907 128 Q HN 0.239 8.509 8.270 -0.000 0.000 0.433 129 T N 1.253 115.889 114.554 0.137 0.000 2.737 129 T HA -0.061 4.290 4.350 0.001 0.000 0.265 129 T C 1.845 176.700 174.700 0.258 0.000 1.038 129 T CA 1.235 63.462 62.100 0.211 0.000 1.144 129 T CB -0.153 68.903 68.868 0.314 0.000 0.866 129 T HN 0.264 8.504 8.240 -0.000 0.000 0.434 130 I N 1.383 122.064 120.570 0.185 0.000 2.127 130 I HA -0.213 3.957 4.170 0.001 0.000 0.241 130 I C 2.842 179.051 176.117 0.153 0.000 1.075 130 I CA 1.421 62.809 61.300 0.148 0.000 1.334 130 I CB -0.388 37.651 38.000 0.065 0.000 1.040 130 I HN 0.287 8.497 8.210 -0.000 0.000 0.405 131 S N 0.960 116.720 115.700 0.101 0.000 2.402 131 S HA -0.184 4.286 4.470 0.001 0.000 0.229 131 S C 2.086 176.730 174.600 0.073 0.000 1.021 131 S CA 1.067 59.310 58.200 0.072 0.000 0.974 131 S CB -0.421 62.802 63.200 0.039 0.000 0.800 131 S HN 0.353 8.663 8.310 -0.000 0.000 0.484 132 L N 0.540 121.806 121.223 0.072 0.000 2.043 132 L HA 0.018 4.358 4.340 0.001 0.000 0.212 132 L C 1.898 178.760 176.870 -0.013 0.000 1.075 132 L CA 1.992 56.832 54.840 0.000 0.000 0.752 132 L CB -0.908 41.120 42.059 -0.051 0.000 0.891 132 L HN 0.397 8.627 8.230 -0.000 0.000 0.432 133 F N -0.171 119.771 119.950 -0.014 0.000 2.128 133 F HA -0.130 4.397 4.527 0.001 0.000 0.295 133 F C 2.499 178.284 175.800 -0.025 0.000 1.100 133 F CA 1.694 59.680 58.000 -0.024 0.000 1.260 133 F CB -0.530 38.468 39.000 -0.003 0.000 1.009 133 F HN 0.045 8.345 8.300 -0.000 0.000 0.476 134 K N 0.663 121.172 120.400 0.182 0.000 1.998 134 K HA -0.284 4.036 4.320 0.001 0.000 0.228 134 K C 1.969 178.598 176.600 0.049 0.000 1.053 134 K CA 2.430 58.771 56.287 0.090 0.000 0.988 134 K CB -0.235 32.302 32.500 0.061 0.000 0.735 134 K HN 0.077 8.327 8.250 -0.000 0.000 0.448 135 E N -0.624 119.591 120.200 0.024 0.000 2.153 135 E HA -0.123 4.228 4.350 0.001 0.000 0.194 135 E C 2.141 178.723 176.600 -0.031 0.000 0.988 135 E CA 1.413 57.811 56.400 -0.004 0.000 0.811 135 E CB -0.560 29.133 29.700 -0.013 0.000 0.746 135 E HN 0.635 8.995 8.360 -0.000 0.000 0.466 136 G N 1.279 110.046 108.800 -0.056 0.000 2.408 136 G HA2 -0.189 3.771 3.960 0.001 0.000 0.215 136 G HA3 -0.189 3.771 3.960 0.001 0.000 0.215 136 G C 0.740 175.564 174.900 -0.127 0.000 1.156 136 G CA 0.681 45.710 45.100 -0.118 0.000 0.793 136 G HN 0.055 8.345 8.290 -0.000 0.000 0.535 137 K N 0.310 120.659 120.400 -0.085 0.000 1.770 137 K HA -0.320 4.001 4.320 0.001 0.000 0.116 137 K C 1.604 178.057 176.600 -0.245 0.000 1.151 137 K CA 2.144 58.384 56.287 -0.077 0.000 0.383 137 K CB -1.390 31.098 32.500 -0.021 0.000 0.607 137 K HN 0.463 8.713 8.250 -0.000 0.000 0.907 138 E N 1.618 121.727 120.200 -0.151 0.000 2.265 138 E HA -0.097 4.254 4.350 0.001 0.000 0.196 138 E C 1.958 178.397 176.600 -0.268 0.000 0.996 138 E CA 1.506 57.817 56.400 -0.148 0.000 0.832 138 E CB -0.235 29.477 29.700 0.020 0.000 0.756 138 E HN 0.340 8.700 8.360 -0.000 0.000 0.491 139 R N -0.003 120.356 120.500 -0.236 0.000 2.276 139 R HA 0.117 4.457 4.340 0.001 0.000 0.203 139 R C 1.425 177.556 176.300 -0.283 0.000 1.017 139 R CA 0.501 56.484 56.100 -0.195 0.000 1.010 139 R CB -0.029 30.193 30.300 -0.130 0.000 0.900 139 R HN 0.218 8.488 8.270 -0.000 0.000 0.469 140 M N -0.398 118.908 119.600 -0.489 0.000 2.267 140 M HA -0.159 4.321 4.480 0.001 0.000 0.263 140 M C 0.831 176.912 176.300 -0.367 0.000 1.063 140 M CA 1.629 56.611 55.300 -0.530 0.000 1.090 140 M CB -0.504 31.741 32.600 -0.591 0.000 1.392 140 M HN 0.115 8.405 8.290 -0.000 0.000 0.422 141 Y N -0.018 120.286 120.300 0.006 0.000 2.485 141 Y HA 0.314 4.865 4.550 0.001 0.000 0.260 141 Y C 0.180 176.084 175.900 0.007 0.000 1.173 141 Y CA -0.990 57.121 58.100 0.019 0.000 1.252 141 Y CB -0.691 37.787 38.460 0.031 0.000 1.123 141 Y HN 0.259 8.539 8.280 -0.000 0.000 0.524 142 E N 0.877 121.093 120.200 0.027 0.000 2.081 142 E HA 0.272 4.623 4.350 0.001 0.000 0.281 142 E C 1.168 177.771 176.600 0.006 0.000 0.986 142 E CA 0.360 56.771 56.400 0.019 0.000 0.796 142 E CB 1.096 30.790 29.700 -0.011 0.000 1.085 142 E HN 0.502 8.862 8.360 -0.000 0.000 0.398 143 E N 3.623 123.837 120.200 0.024 0.000 2.114 143 E HA -0.255 4.096 4.350 0.001 0.000 0.199 143 E C 1.344 177.945 176.600 0.001 0.000 1.008 143 E CA 1.573 57.985 56.400 0.019 0.000 0.810 143 E CB -0.324 29.390 29.700 0.023 0.000 0.739 143 E HN 0.377 8.737 8.360 -0.000 0.000 0.456 144 N N 0.316 119.013 118.700 -0.004 0.000 2.273 144 N HA 0.046 4.787 4.740 0.001 0.000 0.231 144 N C -0.364 175.133 175.510 -0.020 0.000 1.134 144 N CA 0.593 53.637 53.050 -0.010 0.000 0.856 144 N CB 0.229 38.713 38.487 -0.005 0.000 1.068 144 N HN 0.450 8.830 8.380 -0.000 0.000 0.510 145 S N -0.089 115.591 115.700 -0.033 0.000 2.572 145 S HA -0.019 4.452 4.470 0.001 0.000 0.267 145 S C 1.396 175.968 174.600 -0.047 0.000 1.361 145 S CA -0.308 57.864 58.200 -0.046 0.000 1.009 145 S CB 1.200 64.357 63.200 -0.073 0.000 0.888 145 S HN 0.160 8.470 8.310 -0.000 0.000 0.553 146 Q N 1.804 121.576 119.800 -0.046 0.000 2.014 146 Q HA -0.045 4.296 4.340 0.001 0.000 0.207 146 Q C -0.826 175.135 176.000 -0.065 0.000 0.993 146 Q CA 2.083 57.859 55.803 -0.045 0.000 0.850 146 Q CB -1.878 26.838 28.738 -0.037 0.000 0.916 146 Q HN 0.636 8.906 8.270 -0.000 0.000 0.417 147 P HA -0.130 4.290 4.420 -0.000 0.000 0.219 147 P C 0.705 177.910 177.300 -0.158 0.000 1.146 147 P CA 1.669 64.692 63.100 -0.129 0.000 0.808 147 P CB -0.056 31.550 31.700 -0.157 0.000 0.779 148 R N 0.120 120.540 120.500 -0.133 0.000 2.153 148 R HA 0.021 4.362 4.340 0.001 0.000 0.218 148 R C 1.996 178.253 176.300 -0.071 0.000 1.072 148 R CA 1.289 57.318 56.100 -0.119 0.000 0.990 148 R CB -0.628 29.623 30.300 -0.082 0.000 0.889 148 R HN 0.023 8.293 8.270 -0.000 0.000 0.452 149 R N -0.301 120.167 120.500 -0.054 0.000 2.119 149 R HA 0.113 4.454 4.340 0.001 0.000 0.222 149 R C 1.805 178.086 176.300 -0.031 0.000 1.088 149 R CA 1.616 57.699 56.100 -0.029 0.000 0.984 149 R CB -0.272 30.017 30.300 -0.017 0.000 0.884 149 R HN 0.431 8.701 8.270 -0.000 0.000 0.447 150 N N 0.429 119.099 118.700 -0.051 0.000 2.244 150 N HA -0.152 4.588 4.740 0.001 0.000 0.183 150 N C 1.510 176.990 175.510 -0.051 0.000 1.016 150 N CA 0.491 53.511 53.050 -0.051 0.000 0.866 150 N CB -0.015 38.434 38.487 -0.063 0.000 0.980 150 N HN 0.045 8.425 8.380 -0.000 0.000 0.430 151 L N 1.277 122.457 121.223 -0.073 0.000 2.027 151 L HA -0.080 4.261 4.340 0.001 0.000 0.206 151 L C 2.029 178.904 176.870 0.009 0.000 1.074 151 L CA 1.766 56.580 54.840 -0.045 0.000 0.745 151 L CB -1.019 40.975 42.059 -0.108 0.000 0.898 151 L HN 0.040 8.270 8.230 -0.000 0.000 0.433 152 T N -0.034 114.522 114.554 0.003 0.000 2.665 152 T HA -0.251 4.100 4.350 0.001 0.000 0.268 152 T C 1.845 176.544 174.700 -0.001 0.000 1.035 152 T CA 2.075 64.185 62.100 0.017 0.000 1.151 152 T CB -0.200 68.679 68.868 0.018 0.000 0.862 152 T HN 0.390 8.630 8.240 -0.000 0.000 0.438 153 K N 0.682 121.076 120.400 -0.011 0.000 2.002 153 K HA 0.019 4.340 4.320 0.001 0.000 0.209 153 K C 2.314 178.873 176.600 -0.068 0.000 1.048 153 K CA 1.092 57.363 56.287 -0.028 0.000 0.930 153 K CB -0.516 31.974 32.500 -0.015 0.000 0.714 153 K HN 0.233 8.483 8.250 -0.000 0.000 0.438 154 L N 1.320 122.509 121.223 -0.057 0.000 2.013 154 L HA -0.273 4.068 4.340 0.001 0.000 0.212 154 L C 2.434 179.302 176.870 -0.003 0.000 1.073 154 L CA 1.429 56.212 54.840 -0.095 0.000 0.753 154 L CB -0.617 41.429 42.059 -0.021 0.000 0.890 154 L HN 0.131 8.361 8.230 -0.000 0.000 0.432 155 S N -0.294 115.477 115.700 0.118 0.000 2.383 155 S HA -0.173 4.298 4.470 0.001 0.000 0.229 155 S C 1.885 176.484 174.600 -0.002 0.000 1.030 155 S CA 1.043 59.348 58.200 0.175 0.000 1.002 155 S CB -0.374 62.894 63.200 0.113 0.000 0.829 155 S HN 0.168 8.478 8.310 -0.000 0.000 0.467 156 L N 1.834 122.964 121.223 -0.155 0.000 1.989 156 L HA -0.012 4.329 4.340 0.001 0.000 0.211 156 L C 2.073 178.523 176.870 -0.701 0.000 1.071 156 L CA 1.460 56.039 54.840 -0.435 0.000 0.749 156 L CB -1.035 40.795 42.059 -0.382 0.000 0.890 156 L HN 0.303 8.533 8.230 -0.000 0.000 0.431 157 I N -1.577 118.730 120.570 -0.438 0.000 2.163 157 I HA -0.370 3.801 4.170 0.001 0.000 0.243 157 I C 2.301 178.244 176.117 -0.290 0.000 1.085 157 I CA 1.336 62.429 61.300 -0.345 0.000 1.347 157 I CB -0.445 37.366 38.000 -0.315 0.000 1.044 157 I HN 0.116 8.326 8.210 -0.000 0.000 0.408 158 F N 0.326 120.200 119.950 -0.127 0.000 2.202 158 F HA -0.258 4.269 4.527 0.001 0.000 0.301 158 F C 2.906 178.673 175.800 -0.056 0.000 1.082 158 F CA 1.701 59.660 58.000 -0.069 0.000 1.313 158 F CB -0.997 37.974 39.000 -0.047 0.000 1.024 158 F HN 0.033 8.333 8.300 -0.000 0.000 0.495 159 S N -0.856 114.854 115.700 0.015 0.000 2.355 159 S HA -0.199 4.271 4.470 0.001 0.000 0.222 159 S C 1.892 176.535 174.600 0.072 0.000 1.031 159 S CA 1.556 59.754 58.200 -0.002 0.000 0.993 159 S CB -0.494 62.644 63.200 -0.104 0.000 0.859 159 S HN 0.556 8.866 8.310 -0.000 0.000 0.453 160 H N 0.393 119.494 119.070 0.051 0.000 2.357 160 H HA 0.053 4.610 4.556 0.001 0.000 0.301 160 H C 2.373 177.779 175.328 0.131 0.000 1.082 160 H CA 1.623 57.730 56.048 0.098 0.000 1.342 160 H CB -0.163 29.643 29.762 0.074 0.000 1.389 160 H HN 0.352 8.632 8.280 -0.000 0.000 0.511 161 M N 0.191 119.929 119.600 0.230 0.000 2.082 161 M HA -0.192 4.288 4.480 0.001 0.000 0.258 161 M C 2.309 178.810 176.300 0.335 0.000 1.069 161 M CA 1.338 56.802 55.300 0.275 0.000 1.102 161 M CB -0.279 32.402 32.600 0.134 0.000 1.336 161 M HN 0.233 8.523 8.290 -0.000 0.000 0.404 162 L N 0.759 122.125 121.223 0.238 0.000 2.017 162 L HA -0.094 4.247 4.340 0.001 0.000 0.208 162 L C 2.606 179.480 176.870 0.006 0.000 1.073 162 L CA 2.219 57.146 54.840 0.145 0.000 0.745 162 L CB -0.964 41.169 42.059 0.123 0.000 0.894 162 L HN 0.224 8.454 8.230 -0.000 0.000 0.432 163 A N -0.999 121.836 122.820 0.024 0.000 1.940 163 A HA -0.272 4.049 4.320 0.001 0.000 0.219 163 A C 2.333 179.632 177.584 -0.475 0.000 1.176 163 A CA 1.915 53.924 52.037 -0.047 0.000 0.631 163 A CB -0.681 18.433 19.000 0.188 0.000 0.814 163 A HN 0.655 8.805 8.150 -0.000 0.000 0.446 164 E N -0.665 119.193 120.200 -0.570 0.000 2.028 164 E HA -0.159 4.191 4.350 0.001 0.000 0.190 164 E C 1.936 178.261 176.600 -0.458 0.000 0.984 164 E CA 1.057 56.840 56.400 -1.028 0.000 0.800 164 E CB -0.244 29.269 29.700 -0.311 0.000 0.758 164 E HN 0.359 8.719 8.360 -0.000 0.000 0.448 165 L N 1.767 122.903 121.223 -0.144 0.000 2.034 165 L HA -0.273 4.068 4.340 0.001 0.000 0.217 165 L C 2.200 178.968 176.870 -0.171 0.000 1.077 165 L CA 2.024 56.771 54.840 -0.156 0.000 0.769 165 L CB -0.290 41.585 42.059 -0.306 0.000 0.890 165 L HN 0.064 8.294 8.230 -0.000 0.000 0.435 166 K N -1.333 118.855 120.400 -0.352 0.000 2.057 166 K HA -0.060 4.261 4.320 0.001 0.000 0.206 166 K C 2.025 178.554 176.600 -0.118 0.000 1.050 166 K CA 1.029 57.089 56.287 -0.379 0.000 0.935 166 K CB -0.652 31.635 32.500 -0.355 0.000 0.715 166 K HN 0.546 8.796 8.250 -0.000 0.000 0.439 167 G N 1.739 110.441 108.800 -0.162 0.000 2.469 167 G HA2 -0.230 3.731 3.960 0.001 0.000 0.219 167 G HA3 -0.230 3.731 3.960 0.001 0.000 0.219 167 G C 1.357 176.286 174.900 0.049 0.000 1.150 167 G CA 0.775 45.887 45.100 0.020 0.000 0.763 167 G HN 0.086 8.376 8.290 -0.000 0.000 0.561 168 I N -0.948 119.542 120.570 -0.134 0.000 3.035 168 I HA 0.290 4.460 4.170 0.001 0.000 0.271 168 I C 0.377 176.302 176.117 -0.319 0.000 1.190 168 I CA -0.272 60.843 61.300 -0.309 0.000 1.472 168 I CB -0.477 37.152 38.000 -0.619 0.000 1.116 168 I HN 0.018 8.228 8.210 -0.000 0.000 0.443 169 F N 2.943 122.865 119.950 -0.045 0.000 2.530 169 F HA 0.341 4.868 4.527 0.001 0.000 0.318 169 F C -2.157 173.763 175.800 0.201 0.000 1.356 169 F CA -2.279 55.784 58.000 0.105 0.000 1.135 169 F CB 0.236 39.355 39.000 0.198 0.000 1.315 169 F HN -0.106 8.194 8.300 -0.000 0.000 0.549 170 P HA 0.036 4.456 4.420 -0.000 0.000 0.267 170 P C 0.481 177.891 177.300 0.184 0.000 1.205 170 P CA 0.548 63.757 63.100 0.181 0.000 0.765 170 P CB 1.202 32.943 31.700 0.069 0.000 0.828 171 S N 2.130 117.951 115.700 0.201 0.000 3.295 171 S HA -0.231 4.240 4.470 0.001 0.000 0.353 171 S C 1.251 175.899 174.600 0.080 0.000 1.155 171 S CA 1.566 59.834 58.200 0.114 0.000 0.996 171 S CB -2.148 61.090 63.200 0.063 0.000 0.932 171 S HN 1.093 9.403 8.310 -0.000 0.000 0.556 172 G N -0.821 108.063 108.800 0.139 0.000 2.195 172 G HA2 -0.227 3.733 3.960 0.001 0.000 0.224 172 G HA3 -0.227 3.733 3.960 0.001 0.000 0.224 172 G C -0.150 174.992 174.900 0.404 0.000 0.990 172 G CA 0.056 45.223 45.100 0.112 0.000 0.639 172 G HN 0.630 8.920 8.290 -0.000 0.000 0.514 173 L N 1.274 122.701 121.223 0.340 0.000 2.282 173 L HA 0.641 4.982 4.340 0.001 0.000 0.288 173 L C 0.432 177.388 176.870 0.143 0.000 1.033 173 L CA -1.151 53.890 54.840 0.336 0.000 0.807 173 L CB 0.827 42.957 42.059 0.117 0.000 1.209 173 L HN 0.131 8.361 8.230 -0.000 0.000 0.423 174 F N 4.439 124.282 119.950 -0.178 0.000 2.473 174 F HA -0.107 4.421 4.527 0.001 0.000 0.405 174 F C 0.986 176.596 175.800 -0.318 0.000 0.988 174 F CA 0.703 58.293 58.000 -0.683 0.000 1.096 174 F CB 0.228 38.950 39.000 -0.464 0.000 0.944 174 F HN 0.515 8.815 8.300 -0.000 0.000 0.530 175 Q N 4.480 123.739 119.800 -0.903 0.000 2.135 175 Q HA 0.181 4.522 4.340 0.001 0.000 0.231 175 Q C 1.732 177.288 176.000 -0.739 0.000 0.817 175 Q CA 0.465 55.888 55.803 -0.633 0.000 1.073 175 Q CB 0.933 29.497 28.738 -0.290 0.000 1.176 175 Q HN 0.911 9.181 8.270 -0.000 0.000 0.478 176 G N 2.258 110.201 108.800 -1.428 0.000 2.443 176 G HA2 -0.231 3.730 3.960 0.001 0.000 0.219 176 G HA3 -0.231 3.730 3.960 0.001 0.000 0.219 176 G C 1.099 175.804 174.900 -0.325 0.000 1.131 176 G CA 1.025 45.666 45.100 -0.766 0.000 0.775 176 G HN 0.398 8.688 8.290 -0.000 0.000 0.547 177 D N 0.574 120.784 120.400 -0.317 0.000 2.317 177 D HA -0.086 4.554 4.640 0.001 0.000 0.211 177 D C 1.918 178.218 176.300 -0.001 0.000 0.966 177 D CA 1.394 55.391 54.000 -0.005 0.000 0.876 177 D CB -0.813 40.056 40.800 0.116 0.000 0.927 177 D HN 0.383 8.753 8.370 -0.000 0.000 0.519 178 T N -3.246 111.267 114.554 -0.068 0.000 3.129 178 T HA 0.187 4.537 4.350 0.001 0.000 0.267 178 T C 0.304 174.991 174.700 -0.022 0.000 1.018 178 T CA -0.892 61.190 62.100 -0.030 0.000 0.903 178 T CB -1.127 67.710 68.868 -0.053 0.000 1.067 178 T HN 0.005 8.245 8.240 -0.000 0.000 0.549 179 F N 3.680 123.537 119.950 -0.156 0.000 2.548 179 F HA 0.111 4.638 4.527 0.001 0.000 0.403 179 F C 0.899 176.650 175.800 -0.081 0.000 1.004 179 F CA -0.553 57.368 58.000 -0.133 0.000 1.177 179 F CB 0.424 39.328 39.000 -0.161 0.000 0.974 179 F HN 0.128 8.428 8.300 -0.000 0.000 0.541 180 R N 7.765 127.903 120.500 -0.604 0.000 2.248 180 R HA 0.351 4.692 4.340 0.001 0.000 0.328 180 R C -0.633 175.468 176.300 -0.332 0.000 1.067 180 R CA -0.500 55.388 56.100 -0.352 0.000 0.924 180 R CB 0.135 30.250 30.300 -0.309 0.000 1.013 180 R HN 0.736 9.006 8.270 -0.000 0.000 0.454 181 I N 3.826 124.400 120.570 0.007 0.000 2.474 181 I HA -0.005 4.166 4.170 0.001 0.000 0.287 181 I C 1.435 177.575 176.117 0.038 0.000 1.048 181 I CA -0.035 61.343 61.300 0.130 0.000 1.383 181 I CB 1.817 39.960 38.000 0.239 0.000 1.412 181 I HN 0.725 8.935 8.210 -0.000 0.000 0.531 182 T N 3.982 118.553 114.554 0.029 0.000 2.809 182 T HA 0.008 4.359 4.350 0.001 0.000 0.260 182 T C 0.712 175.418 174.700 0.009 0.000 1.039 182 T CA 0.929 63.023 62.100 -0.009 0.000 1.141 182 T CB 0.077 68.930 68.868 -0.026 0.000 0.869 182 T HN 0.340 8.580 8.240 -0.000 0.000 0.437 183 K N 1.338 121.755 120.400 0.027 0.000 2.156 183 K HA 0.635 4.956 4.320 0.001 0.000 0.271 183 K C 0.976 177.595 176.600 0.031 0.000 0.995 183 K CA -0.324 55.984 56.287 0.034 0.000 0.890 183 K CB 1.433 33.966 32.500 0.055 0.000 1.073 183 K HN 0.098 8.348 8.250 -0.000 0.000 0.454 184 A N 2.962 125.793 122.820 0.019 0.000 1.855 184 A HA -0.173 4.148 4.320 0.001 0.000 0.215 184 A C 1.316 178.879 177.584 -0.036 0.000 1.191 184 A CA 1.578 53.619 52.037 0.006 0.000 0.613 184 A CB -0.316 18.688 19.000 0.007 0.000 0.829 184 A HN 0.713 8.863 8.150 -0.000 0.000 0.442 185 D N 0.205 120.561 120.400 -0.073 0.000 2.190 185 D HA -0.109 4.532 4.640 0.001 0.000 0.200 185 D C 2.081 178.034 176.300 -0.579 0.000 0.992 185 D CA 1.546 55.395 54.000 -0.251 0.000 0.854 185 D CB -0.365 40.325 40.800 -0.184 0.000 0.936 185 D HN 0.454 8.824 8.370 -0.000 0.000 0.462 186 A N 0.682 123.288 122.820 -0.357 0.000 1.929 186 A HA 0.095 4.416 4.320 0.001 0.000 0.216 186 A C 2.280 179.997 177.584 0.220 0.000 1.176 186 A CA 1.726 53.631 52.037 -0.220 0.000 0.628 186 A CB -0.491 18.545 19.000 0.060 0.000 0.816 186 A HN 0.226 8.376 8.150 -0.000 0.000 0.444 187 A N 0.018 122.942 122.820 0.173 0.000 1.968 187 A HA -0.106 4.215 4.320 0.001 0.000 0.217 187 A C 1.988 179.677 177.584 0.175 0.000 1.169 187 A CA 1.646 53.833 52.037 0.249 0.000 0.638 187 A CB -0.433 18.654 19.000 0.146 0.000 0.812 187 A HN 0.722 8.872 8.150 -0.000 0.000 0.446 188 E N -1.092 119.143 120.200 0.059 0.000 2.072 188 E HA -0.195 4.156 4.350 0.001 0.000 0.190 188 E C 1.765 178.362 176.600 -0.005 0.000 0.982 188 E CA 1.199 57.605 56.400 0.011 0.000 0.803 188 E CB -0.375 29.307 29.700 -0.030 0.000 0.755 188 E HN 0.518 8.878 8.360 -0.000 0.000 0.453 189 F N 1.364 121.214 119.950 -0.167 0.000 2.043 189 F HA -0.261 4.266 4.527 0.001 0.000 0.297 189 F C 2.186 177.938 175.800 -0.081 0.000 1.121 189 F CA 2.259 60.181 58.000 -0.130 0.000 1.199 189 F CB -0.592 38.291 39.000 -0.195 0.000 0.968 189 F HN 0.227 8.527 8.300 -0.000 0.000 0.478 190 W N 2.203 123.409 121.300 -0.157 0.000 2.318 190 W HA -0.271 4.390 4.660 0.001 0.000 0.313 190 W C 2.694 179.072 176.519 -0.236 0.000 1.221 190 W CA 2.456 59.647 57.345 -0.257 0.000 1.266 190 W CB -0.724 28.680 29.460 -0.093 0.000 1.150 190 W HN 0.167 8.347 8.180 -0.000 0.000 0.496 191 R N 0.946 121.479 120.500 0.055 0.000 2.066 191 R HA -0.169 4.171 4.340 0.001 0.000 0.232 191 R C 2.381 178.574 176.300 -0.177 0.000 1.131 191 R CA 1.973 58.077 56.100 0.007 0.000 0.955 191 R CB -0.465 29.876 30.300 0.069 0.000 0.851 191 R HN 0.045 8.315 8.270 -0.000 0.000 0.432 192 K N 0.108 120.357 120.400 -0.251 0.000 2.034 192 K HA -0.185 4.136 4.320 0.001 0.000 0.214 192 K C 2.129 178.425 176.600 -0.508 0.000 1.051 192 K CA 1.988 58.083 56.287 -0.321 0.000 0.931 192 K CB -0.247 32.079 32.500 -0.290 0.000 0.715 192 K HN 0.292 8.542 8.250 -0.000 0.000 0.446 193 A N 0.100 122.371 122.820 -0.914 0.000 1.935 193 A HA 0.016 4.336 4.320 0.001 0.000 0.214 193 A C 1.457 178.330 177.584 -1.184 0.000 1.178 193 A CA 0.931 52.213 52.037 -1.258 0.000 0.640 193 A CB -0.068 17.693 19.000 -2.066 0.000 0.825 193 A HN 0.244 8.394 8.150 -0.000 0.000 0.447 194 F N -1.511 118.068 119.950 -0.618 0.000 2.728 194 F HA 0.425 4.952 4.527 0.001 0.000 0.314 194 F C 1.753 177.389 175.800 -0.273 0.000 1.094 194 F CA -0.114 57.562 58.000 -0.540 0.000 1.217 194 F CB -0.307 38.100 39.000 -0.988 0.000 1.056 194 F HN 0.414 8.714 8.300 -0.000 0.000 0.577 195 G N 1.310 110.052 108.800 -0.096 0.000 2.591 195 G HA2 -0.347 3.614 3.960 0.001 0.000 0.298 195 G HA3 -0.347 3.614 3.960 0.001 0.000 0.298 195 G C 0.972 175.969 174.900 0.162 0.000 1.195 195 G CA 0.586 45.703 45.100 0.028 0.000 0.989 195 G HN 0.351 8.641 8.290 -0.000 0.000 0.551 196 E N 1.198 121.497 120.200 0.165 0.000 2.474 196 E HA 0.138 4.489 4.350 0.001 0.000 0.195 196 E C 0.947 177.714 176.600 0.278 0.000 1.039 196 E CA -0.138 56.390 56.400 0.214 0.000 0.881 196 E CB 0.198 29.987 29.700 0.148 0.000 0.970 196 E HN 0.410 8.770 8.360 -0.000 0.000 0.486 197 K N 0.609 121.188 120.400 0.299 0.000 2.494 197 K HA -0.018 4.302 4.320 0.001 0.000 0.273 197 K C 0.927 177.784 176.600 0.428 0.000 0.970 197 K CA 0.435 56.911 56.287 0.315 0.000 0.963 197 K CB 0.668 33.307 32.500 0.232 0.000 0.913 197 K HN -0.092 8.158 8.250 -0.000 0.000 0.502 198 T N 1.496 116.254 114.554 0.339 0.000 3.039 198 T HA 0.138 4.488 4.350 0.001 0.000 0.250 198 T C 0.142 175.022 174.700 0.301 0.000 1.052 198 T CA 0.259 62.508 62.100 0.248 0.000 1.125 198 T CB 0.153 69.150 68.868 0.216 0.000 0.908 198 T HN 0.473 8.713 8.240 -0.000 0.000 0.473 199 I N 1.841 122.621 120.570 0.351 0.000 2.607 199 I HA 0.564 4.734 4.170 0.001 0.000 0.290 199 I C -1.589 174.708 176.117 0.299 0.000 1.129 199 I CA -1.052 60.460 61.300 0.352 0.000 1.042 199 I CB 1.905 40.109 38.000 0.341 0.000 1.242 199 I HN -0.054 8.156 8.210 -0.000 0.000 0.421 200 V N 6.253 126.323 119.914 0.261 0.000 2.735 200 V HA 0.797 4.918 4.120 0.001 0.000 0.310 200 V C -2.724 173.452 176.094 0.137 0.000 1.061 200 V CA -2.177 60.171 62.300 0.080 0.000 0.913 200 V CB 1.869 33.419 31.823 -0.455 0.000 1.005 200 V HN 0.592 8.782 8.190 -0.000 0.000 0.428 201 P HA -0.017 4.403 4.420 -0.000 0.000 0.265 201 P C 0.815 178.064 177.300 -0.085 0.000 1.193 201 P CA 0.142 63.034 63.100 -0.347 0.000 0.765 201 P CB 0.437 31.957 31.700 -0.300 0.000 0.823 202 W N 5.818 127.003 121.300 -0.190 0.000 2.305 202 W HA -0.248 4.412 4.660 0.001 0.000 0.308 202 W C 1.561 178.113 176.519 0.055 0.000 1.226 202 W CA 1.892 59.226 57.345 -0.019 0.000 1.253 202 W CB -0.278 29.153 29.460 -0.049 0.000 1.146 202 W HN 0.413 8.593 8.180 -0.000 0.000 0.507 203 K N 0.582 120.846 120.400 -0.227 0.000 2.097 203 K HA -0.145 4.175 4.320 0.001 0.000 0.205 203 K C 2.058 178.512 176.600 -0.244 0.000 1.050 203 K CA 1.990 58.091 56.287 -0.310 0.000 0.938 203 K CB -0.344 32.095 32.500 -0.102 0.000 0.718 203 K HN 0.024 8.274 8.250 -0.000 0.000 0.442 204 S N 0.793 116.414 115.700 -0.131 0.000 2.383 204 S HA -0.136 4.335 4.470 0.001 0.000 0.227 204 S C 1.575 176.181 174.600 0.009 0.000 1.026 204 S CA 1.126 59.298 58.200 -0.047 0.000 0.981 204 S CB -0.512 62.700 63.200 0.020 0.000 0.818 204 S HN 0.411 8.721 8.310 -0.000 0.000 0.472 205 F N 2.970 122.820 119.950 -0.168 0.000 2.075 205 F HA -0.087 4.440 4.527 0.001 0.000 0.297 205 F C 2.565 178.273 175.800 -0.154 0.000 1.113 205 F CA 1.626 59.593 58.000 -0.055 0.000 1.218 205 F CB -0.289 38.640 39.000 -0.118 0.000 0.984 205 F HN -0.004 8.296 8.300 -0.000 0.000 0.472 206 R N 0.216 120.394 120.500 -0.536 0.000 2.073 206 R HA -0.208 4.132 4.340 0.001 0.000 0.234 206 R C 2.269 178.369 176.300 -0.333 0.000 1.134 206 R CA 2.095 57.795 56.100 -0.666 0.000 0.952 206 R CB -0.474 29.204 30.300 -1.037 0.000 0.850 206 R HN 0.448 8.718 8.270 -0.000 0.000 0.433 207 Q N -0.409 119.243 119.800 -0.247 0.000 2.096 207 Q HA -0.144 4.197 4.340 0.001 0.000 0.204 207 Q C 2.113 178.074 176.000 -0.065 0.000 0.982 207 Q CA 1.839 57.577 55.803 -0.107 0.000 0.850 207 Q CB -0.117 28.568 28.738 -0.089 0.000 0.901 207 Q HN 0.462 8.732 8.270 -0.000 0.000 0.422 208 A N 0.554 123.317 122.820 -0.096 0.000 1.930 208 A HA -0.143 4.177 4.320 0.001 0.000 0.217 208 A C 1.984 179.594 177.584 0.044 0.000 1.175 208 A CA 1.000 52.992 52.037 -0.075 0.000 0.627 208 A CB -0.463 18.399 19.000 -0.229 0.000 0.815 208 A HN 0.353 8.503 8.150 -0.000 0.000 0.443 209 L N -0.816 120.338 121.223 -0.115 0.000 2.156 209 L HA -0.117 4.224 4.340 0.001 0.000 0.208 209 L C 2.237 179.045 176.870 -0.102 0.000 1.095 209 L CA 2.305 57.034 54.840 -0.185 0.000 0.770 209 L CB -0.769 41.029 42.059 -0.435 0.000 0.914 209 L HN 0.646 8.876 8.230 -0.000 0.000 0.439 210 H N -0.650 118.336 119.070 -0.139 0.000 2.421 210 H HA -0.095 4.462 4.556 0.001 0.000 0.298 210 H C 1.286 176.573 175.328 -0.068 0.000 1.087 210 H CA 1.337 57.332 56.048 -0.089 0.000 1.330 210 H CB 0.480 30.188 29.762 -0.089 0.000 1.388 210 H HN 0.400 8.680 8.280 -0.000 0.000 0.526 211 E N 0.359 120.453 120.200 -0.178 0.000 2.418 211 E HA -0.035 4.315 4.350 0.001 0.000 0.197 211 E C 2.025 178.520 176.600 -0.176 0.000 1.026 211 E CA 0.253 56.535 56.400 -0.197 0.000 0.862 211 E CB 0.524 30.172 29.700 -0.086 0.000 0.799 211 E HN 0.387 8.747 8.360 -0.000 0.000 0.518 212 V N -0.410 119.400 119.914 -0.174 0.000 3.013 212 V HA 0.029 4.150 4.120 0.001 0.000 0.238 212 V C 0.440 176.246 176.094 -0.480 0.000 1.161 212 V CA 0.454 62.597 62.300 -0.261 0.000 1.170 212 V CB 0.261 31.986 31.823 -0.163 0.000 0.917 212 V HN 0.156 8.346 8.190 -0.000 0.000 0.478 213 H N 0.956 119.884 119.070 -0.238 0.000 2.675 213 H HA 0.372 4.929 4.556 0.001 0.000 0.258 213 H C -2.735 172.500 175.328 -0.155 0.000 1.271 213 H CA -2.452 53.451 56.048 -0.241 0.000 1.462 213 H CB 1.175 30.727 29.762 -0.350 0.000 1.467 213 H HN 0.266 8.546 8.280 -0.000 0.000 0.501 214 P HA 0.082 4.502 4.420 -0.000 0.000 0.268 214 P C 0.231 177.650 177.300 0.197 0.000 1.204 214 P CA 0.122 63.187 63.100 -0.058 0.000 0.768 214 P CB 1.029 32.676 31.700 -0.087 0.000 0.842 215 I N 2.240 123.072 120.570 0.437 0.000 2.330 215 I HA 0.059 4.230 4.170 0.001 0.000 0.286 215 I C 1.464 177.681 176.117 0.166 0.000 1.025 215 I CA -0.095 61.351 61.300 0.245 0.000 1.197 215 I CB 1.110 39.216 38.000 0.176 0.000 1.358 215 I HN 0.339 8.549 8.210 -0.000 0.000 0.467 216 S N 3.223 119.008 115.700 0.142 0.000 2.447 216 S HA -0.032 4.439 4.470 0.001 0.000 0.233 216 S C 0.716 175.357 174.600 0.069 0.000 1.006 216 S CA 0.416 58.678 58.200 0.104 0.000 0.957 216 S CB -0.249 63.006 63.200 0.093 0.000 0.773 216 S HN 0.702 9.012 8.310 -0.000 0.000 0.507 217 S N -1.646 114.094 115.700 0.067 0.000 2.596 217 S HA 0.706 5.176 4.470 0.001 0.000 0.270 217 S C 0.959 175.590 174.600 0.053 0.000 1.155 217 S CA -0.519 57.710 58.200 0.048 0.000 0.827 217 S CB 0.913 64.146 63.200 0.056 0.000 1.130 217 S HN 0.205 8.515 8.310 -0.000 0.000 0.467 218 G N 0.795 109.621 108.800 0.042 0.000 2.476 218 G HA2 -0.149 3.812 3.960 0.001 0.000 0.218 218 G HA3 -0.149 3.812 3.960 0.001 0.000 0.218 218 G C 1.141 176.092 174.900 0.086 0.000 1.164 218 G CA 1.229 46.366 45.100 0.061 0.000 0.768 218 G HN 0.690 8.980 8.290 -0.000 0.000 0.560 219 L N 0.069 121.338 121.223 0.076 0.000 2.013 219 L HA -0.156 4.185 4.340 0.001 0.000 0.212 219 L C 2.783 179.728 176.870 0.126 0.000 1.073 219 L CA 1.896 56.787 54.840 0.085 0.000 0.753 219 L CB -0.507 41.593 42.059 0.068 0.000 0.890 219 L HN 0.343 8.573 8.230 -0.000 0.000 0.432 220 E N 0.056 120.343 120.200 0.146 0.000 2.153 220 E HA -0.237 4.114 4.350 0.001 0.000 0.194 220 E C 2.186 178.933 176.600 0.244 0.000 0.988 220 E CA 1.048 57.584 56.400 0.226 0.000 0.811 220 E CB 0.043 29.883 29.700 0.232 0.000 0.746 220 E HN 0.489 8.849 8.360 -0.000 0.000 0.466 221 A N 0.860 123.797 122.820 0.195 0.000 1.873 221 A HA -0.187 4.134 4.320 0.001 0.000 0.215 221 A C 2.168 179.884 177.584 0.219 0.000 1.186 221 A CA 1.530 53.721 52.037 0.257 0.000 0.616 221 A CB -0.495 18.671 19.000 0.276 0.000 0.823 221 A HN 0.254 8.404 8.150 -0.000 0.000 0.442 222 M N -0.228 119.453 119.600 0.135 0.000 2.088 222 M HA -0.258 4.222 4.480 0.001 0.000 0.256 222 M C 2.549 178.866 176.300 0.028 0.000 1.071 222 M CA 1.917 57.237 55.300 0.033 0.000 1.097 222 M CB -0.604 32.024 32.600 0.046 0.000 1.315 222 M HN 0.473 8.763 8.290 -0.000 0.000 0.406 223 A N 0.284 123.190 122.820 0.143 0.000 1.883 223 A HA -0.163 4.157 4.320 0.001 0.000 0.217 223 A C 2.212 179.965 177.584 0.281 0.000 1.186 223 A CA 1.462 53.648 52.037 0.249 0.000 0.624 223 A CB -1.024 18.190 19.000 0.357 0.000 0.822 223 A HN 0.524 8.674 8.150 -0.000 0.000 0.444 224 L N -0.476 120.819 121.223 0.119 0.000 1.971 224 L HA -0.259 4.081 4.340 0.001 0.000 0.215 224 L C 2.649 179.340 176.870 -0.299 0.000 1.072 224 L CA 2.514 57.128 54.840 -0.377 0.000 0.758 224 L CB -0.464 41.331 42.059 -0.439 0.000 0.889 224 L HN 0.517 8.747 8.230 -0.000 0.000 0.433 225 K N -0.476 119.684 120.400 -0.399 0.000 2.089 225 K HA -0.273 4.048 4.320 0.001 0.000 0.210 225 K C 2.245 178.603 176.600 -0.404 0.000 1.048 225 K CA 2.044 57.837 56.287 -0.824 0.000 0.926 225 K CB -0.177 31.494 32.500 -1.381 0.000 0.714 225 K HN 0.458 8.708 8.250 -0.000 0.000 0.448 226 S N -0.308 115.276 115.700 -0.193 0.000 2.382 226 S HA -0.137 4.333 4.470 0.001 0.000 0.228 226 S C 1.800 176.437 174.600 0.063 0.000 1.027 226 S CA 2.011 60.187 58.200 -0.040 0.000 0.991 226 S CB -0.534 62.686 63.200 0.033 0.000 0.823 226 S HN 0.418 8.728 8.310 -0.000 0.000 0.469 227 T N 2.762 117.391 114.554 0.126 0.000 2.708 227 T HA 0.091 4.441 4.350 0.001 0.000 0.266 227 T C 1.827 176.626 174.700 0.165 0.000 1.037 227 T CA 1.668 63.914 62.100 0.242 0.000 1.146 227 T CB -0.377 68.761 68.868 0.451 0.000 0.865 227 T HN 0.514 8.754 8.240 -0.000 0.000 0.435 228 I N 0.629 121.163 120.570 -0.061 0.000 2.400 228 I HA 0.046 4.217 4.170 0.001 0.000 0.248 228 I C 1.076 177.166 176.117 -0.045 0.000 1.109 228 I CA 0.549 61.791 61.300 -0.098 0.000 1.425 228 I CB -0.305 37.481 38.000 -0.356 0.000 1.094 228 I HN 0.078 8.288 8.210 -0.000 0.000 0.425 229 D N 2.432 122.772 120.400 -0.100 0.000 2.545 229 D HA 0.095 4.735 4.640 0.001 0.000 0.227 229 D C 1.296 177.603 176.300 0.012 0.000 1.150 229 D CA 0.206 54.172 54.000 -0.057 0.000 1.046 229 D CB 0.186 40.891 40.800 -0.159 0.000 1.098 229 D HN 0.185 8.555 8.370 -0.000 0.000 0.502 230 L N 1.358 122.611 121.223 0.049 0.000 2.083 230 L HA -0.147 4.194 4.340 0.001 0.000 0.209 230 L C 2.332 179.298 176.870 0.160 0.000 1.083 230 L CA 1.496 56.370 54.840 0.057 0.000 0.752 230 L CB -0.443 41.550 42.059 -0.110 0.000 0.899 230 L HN 0.394 8.624 8.230 -0.000 0.000 0.433 231 T N -5.060 109.568 114.554 0.125 0.000 3.129 231 T HA -0.022 4.328 4.350 0.001 0.000 0.251 231 T C 1.009 175.715 174.700 0.009 0.000 1.117 231 T CA 0.106 62.256 62.100 0.084 0.000 1.034 231 T CB -0.726 68.199 68.868 0.094 0.000 0.968 231 T HN 0.376 8.616 8.240 -0.000 0.000 0.526 232 C N 3.275 122.583 119.300 0.012 0.000 4.235 232 C HA -0.121 4.340 4.460 0.001 0.000 0.301 232 C C 1.252 176.226 174.990 -0.027 0.000 1.409 232 C CA 0.680 59.682 59.018 -0.027 0.000 2.024 232 C CB -2.943 24.770 27.740 -0.046 0.000 1.286 232 C HN 0.955 9.185 8.230 -0.000 0.000 0.746 233 N N -0.848 117.863 118.700 0.019 0.000 2.177 233 N HA 0.106 4.847 4.740 0.001 0.000 0.218 233 N C 0.198 175.808 175.510 0.166 0.000 1.182 233 N CA 0.690 53.781 53.050 0.068 0.000 0.882 233 N CB 0.018 38.536 38.487 0.052 0.000 1.052 233 N HN 0.576 8.956 8.380 -0.000 0.000 0.519 234 D N -0.799 119.652 120.400 0.085 0.000 3.012 234 D HA -0.221 4.420 4.640 0.001 0.000 0.222 234 D C -0.950 175.392 176.300 0.070 0.000 1.167 234 D CA 1.044 55.077 54.000 0.054 0.000 0.854 234 D CB -1.553 39.251 40.800 0.006 0.000 1.107 234 D HN 0.415 8.785 8.370 -0.000 0.000 0.421 235 Y N -0.680 119.680 120.300 0.100 0.000 2.659 235 Y HA 0.603 5.153 4.550 0.001 0.000 0.333 235 Y C 0.704 176.678 175.900 0.124 0.000 1.064 235 Y CA -1.184 56.999 58.100 0.137 0.000 1.141 235 Y CB 1.040 39.567 38.460 0.112 0.000 1.316 235 Y HN -0.219 8.061 8.280 -0.000 0.000 0.509 236 I N 1.714 122.452 120.570 0.279 0.000 2.420 236 I HA 0.229 4.400 4.170 0.001 0.000 0.282 236 I C -0.084 176.185 176.117 0.254 0.000 1.019 236 I CA -0.862 60.524 61.300 0.142 0.000 1.130 236 I CB 0.616 38.497 38.000 -0.198 0.000 1.262 236 I HN 0.624 8.834 8.210 -0.000 0.000 0.454 237 S N 4.508 120.336 115.700 0.214 0.000 2.603 237 S HA 0.269 4.739 4.470 0.001 0.000 0.268 237 S C 1.208 175.744 174.600 -0.106 0.000 1.317 237 S CA -0.493 57.802 58.200 0.158 0.000 1.012 237 S CB 2.181 65.506 63.200 0.208 0.000 0.926 237 S HN 0.427 8.737 8.310 -0.000 0.000 0.539 238 V N 1.918 121.562 119.914 -0.449 0.000 2.490 238 V HA -0.066 4.055 4.120 0.001 0.000 0.250 238 V C 1.718 177.401 176.094 -0.685 0.000 1.061 238 V CA 2.147 63.812 62.300 -1.057 0.000 1.064 238 V CB -1.110 30.074 31.823 -1.066 0.000 0.670 238 V HN 0.890 9.080 8.190 -0.000 0.000 0.461 239 F N 1.433 120.870 119.950 -0.855 0.000 2.075 239 F HA -0.164 4.364 4.527 0.001 0.000 0.297 239 F C 2.317 178.004 175.800 -0.189 0.000 1.113 239 F CA 2.445 60.049 58.000 -0.660 0.000 1.218 239 F CB -0.343 38.330 39.000 -0.546 0.000 0.984 239 F HN 0.250 8.550 8.300 -0.000 0.000 0.472 240 E N -0.465 119.747 120.200 0.020 0.000 2.085 240 E HA -0.282 4.069 4.350 0.001 0.000 0.194 240 E C 2.102 178.706 176.600 0.007 0.000 0.994 240 E CA 1.663 58.065 56.400 0.004 0.000 0.801 240 E CB -0.560 29.204 29.700 0.106 0.000 0.743 240 E HN 0.542 8.902 8.360 -0.000 0.000 0.453 241 F N 2.039 121.918 119.950 -0.119 0.000 2.171 241 F HA -0.210 4.317 4.527 0.001 0.000 0.300 241 F C 1.886 177.750 175.800 0.106 0.000 1.090 241 F CA 1.880 59.913 58.000 0.055 0.000 1.293 241 F CB -0.109 38.920 39.000 0.049 0.000 1.013 241 F HN -0.077 8.223 8.300 -0.000 0.000 0.486 242 D N 0.232 120.579 120.400 -0.088 0.000 2.144 242 D HA -0.181 4.460 4.640 0.001 0.000 0.200 242 D C 2.183 178.378 176.300 -0.175 0.000 0.978 242 D CA 1.575 55.501 54.000 -0.124 0.000 0.833 242 D CB -0.291 40.543 40.800 0.058 0.000 0.961 242 D HN 0.443 8.813 8.370 -0.000 0.000 0.470 243 I N -0.501 119.930 120.570 -0.233 0.000 2.202 243 I HA -0.172 3.999 4.170 0.001 0.000 0.242 243 I C 1.990 178.036 176.117 -0.117 0.000 1.091 243 I CA 0.595 61.766 61.300 -0.216 0.000 1.368 243 I CB -0.257 37.578 38.000 -0.275 0.000 1.058 243 I HN 0.027 8.237 8.210 -0.000 0.000 0.410 244 F N 1.682 121.560 119.950 -0.119 0.000 2.069 244 F HA -0.325 4.202 4.527 0.001 0.000 0.298 244 F C 2.793 178.627 175.800 0.057 0.000 1.113 244 F CA 2.389 60.415 58.000 0.044 0.000 1.214 244 F CB -0.532 38.511 39.000 0.071 0.000 0.978 244 F HN 0.147 8.447 8.300 -0.000 0.000 0.474 245 T N -1.425 113.138 114.554 0.015 0.000 2.777 245 T HA -0.150 4.201 4.350 0.001 0.000 0.266 245 T C 2.172 176.845 174.700 -0.045 0.000 1.040 245 T CA 1.106 63.203 62.100 -0.005 0.000 1.141 245 T CB -0.640 68.179 68.868 -0.083 0.000 0.868 245 T HN 0.252 8.492 8.240 -0.000 0.000 0.444 246 R N 0.849 121.290 120.500 -0.099 0.000 2.112 246 R HA -0.043 4.298 4.340 0.001 0.000 0.242 246 R C 2.576 178.775 176.300 -0.169 0.000 1.137 246 R CA 1.803 57.838 56.100 -0.108 0.000 0.944 246 R CB -0.821 29.395 30.300 -0.140 0.000 0.857 246 R HN 0.438 8.708 8.270 -0.000 0.000 0.435 247 L N -0.945 120.061 121.223 -0.363 0.000 2.141 247 L HA -0.127 4.214 4.340 0.001 0.000 0.209 247 L C 1.218 177.810 176.870 -0.463 0.000 1.094 247 L CA 1.095 55.570 54.840 -0.609 0.000 0.763 247 L CB -0.104 41.183 42.059 -1.288 0.000 0.908 247 L HN 0.112 8.342 8.230 -0.000 0.000 0.437 248 F N -0.415 119.454 119.950 -0.136 0.000 2.708 248 F HA 0.151 4.679 4.527 0.001 0.000 0.300 248 F C 1.166 176.922 175.800 -0.074 0.000 1.118 248 F CA -1.007 56.924 58.000 -0.115 0.000 1.307 248 F CB -0.344 38.413 39.000 -0.405 0.000 0.986 248 F HN 0.101 8.401 8.300 -0.000 0.000 0.522 249 Q N 2.387 122.232 119.800 0.076 0.000 2.414 249 Q HA 0.113 4.454 4.340 0.001 0.000 0.288 249 Q C -2.553 173.451 176.000 0.006 0.000 1.086 249 Q CA -1.486 54.358 55.803 0.069 0.000 0.943 249 Q CB -0.132 28.647 28.738 0.069 0.000 1.282 249 Q HN 0.047 8.317 8.270 -0.000 0.000 0.438 250 P HA -0.083 4.337 4.420 -0.000 0.000 0.282 250 P C -0.048 177.292 177.300 0.066 0.000 1.249 250 P CA -0.505 62.619 63.100 0.040 0.000 0.806 250 P CB 0.450 32.158 31.700 0.014 0.000 0.984 251 W N 3.611 124.921 121.300 0.018 0.000 2.325 251 W HA -0.220 4.440 4.660 0.001 0.000 0.299 251 W C 1.456 178.055 176.519 0.133 0.000 1.215 251 W CA 2.697 60.087 57.345 0.075 0.000 1.244 251 W CB -0.947 28.595 29.460 0.135 0.000 1.140 251 W HN 0.441 8.621 8.180 -0.000 0.000 0.523 252 S N 0.424 116.213 115.700 0.148 0.000 2.402 252 S HA -0.156 4.314 4.470 0.001 0.000 0.229 252 S C 1.474 176.066 174.600 -0.014 0.000 1.021 252 S CA 1.289 59.551 58.200 0.103 0.000 0.974 252 S CB -0.936 62.333 63.200 0.115 0.000 0.800 252 S HN 0.227 8.537 8.310 -0.000 0.000 0.484 253 S N 0.911 116.533 115.700 -0.130 0.000 2.526 253 S HA 0.430 4.900 4.470 0.001 0.000 0.245 253 S C 0.844 175.274 174.600 -0.284 0.000 1.103 253 S CA -0.520 57.569 58.200 -0.185 0.000 1.095 253 S CB 0.121 63.201 63.200 -0.200 0.000 0.826 253 S HN 0.287 8.597 8.310 -0.000 0.000 0.468 254 L N 1.668 122.553 121.223 -0.562 0.000 1.951 254 L HA -0.069 4.272 4.340 0.001 0.000 0.222 254 L C 2.006 178.748 176.870 -0.213 0.000 1.078 254 L CA 2.049 56.596 54.840 -0.490 0.000 0.778 254 L CB -0.494 41.043 42.059 -0.870 0.000 0.893 254 L HN 0.494 8.724 8.230 -0.000 0.000 0.436 255 L N -0.924 120.162 121.223 -0.228 0.000 2.313 255 L HA -0.083 4.257 4.340 0.001 0.000 0.214 255 L C 2.658 179.645 176.870 0.193 0.000 1.119 255 L CA 1.072 55.975 54.840 0.106 0.000 0.809 255 L CB -0.485 41.638 42.059 0.106 0.000 0.933 255 L HN 0.418 8.648 8.230 -0.000 0.000 0.449 256 R N 0.108 120.634 120.500 0.044 0.000 2.115 256 R HA -0.091 4.250 4.340 0.001 0.000 0.226 256 R C 1.820 178.172 176.300 0.087 0.000 1.100 256 R CA 1.225 57.356 56.100 0.052 0.000 0.980 256 R CB -0.208 30.107 30.300 0.024 0.000 0.875 256 R HN 0.265 8.535 8.270 -0.000 0.000 0.445 257 N N 0.606 119.345 118.700 0.066 0.000 2.084 257 N HA -0.205 4.535 4.740 0.001 0.000 0.190 257 N C 1.247 176.906 175.510 0.248 0.000 1.030 257 N CA 1.565 54.734 53.050 0.198 0.000 0.849 257 N CB -0.685 37.872 38.487 0.116 0.000 1.012 257 N HN 0.413 8.793 8.380 -0.000 0.000 0.423 258 W N 2.935 124.146 121.300 -0.147 0.000 2.335 258 W HA -0.077 4.584 4.660 0.001 0.000 0.311 258 W C 1.891 178.264 176.519 -0.243 0.000 1.213 258 W CA 1.271 58.266 57.345 -0.583 0.000 1.274 258 W CB -0.635 28.390 29.460 -0.726 0.000 1.148 258 W HN 0.002 8.182 8.180 -0.000 0.000 0.498 259 N N 0.179 118.610 118.700 -0.449 0.000 2.036 259 N HA -0.236 4.504 4.740 0.001 0.000 0.195 259 N C 1.895 177.243 175.510 -0.269 0.000 1.037 259 N CA 2.742 55.477 53.050 -0.524 0.000 0.855 259 N CB -0.998 37.329 38.487 -0.267 0.000 1.033 259 N HN 0.335 8.715 8.380 -0.000 0.000 0.423 260 S N -0.034 115.628 115.700 -0.063 0.000 2.561 260 S HA 0.104 4.574 4.470 0.001 0.000 0.225 260 S C 1.847 176.499 174.600 0.087 0.000 0.977 260 S CA 0.208 58.425 58.200 0.028 0.000 0.926 260 S CB -0.038 63.222 63.200 0.100 0.000 0.769 260 S HN 0.227 8.537 8.310 -0.000 0.000 0.533 261 L N -0.629 120.630 121.223 0.060 0.000 2.467 261 L HA 0.474 4.815 4.340 0.001 0.000 0.213 261 L C 2.477 179.366 176.870 0.032 0.000 1.053 261 L CA 0.876 55.763 54.840 0.078 0.000 0.847 261 L CB -0.134 42.015 42.059 0.150 0.000 1.075 261 L HN 0.451 8.681 8.230 -0.000 0.000 0.479 262 A N -1.474 121.211 122.820 -0.224 0.000 2.242 262 A HA 0.215 4.536 4.320 0.001 0.000 0.205 262 A C 1.772 179.051 177.584 -0.508 0.000 1.353 262 A CA 0.143 51.776 52.037 -0.674 0.000 1.005 262 A CB 0.227 18.962 19.000 -0.442 0.000 1.127 262 A HN 0.016 8.166 8.150 -0.000 0.000 0.498 263 V N 0.379 119.994 119.914 -0.497 0.000 2.374 263 V HA -0.069 4.051 4.120 0.001 0.000 0.241 263 V C 2.527 178.519 176.094 -0.169 0.000 1.034 263 V CA 2.352 64.426 62.300 -0.377 0.000 1.037 263 V CB -0.449 31.012 31.823 -0.603 0.000 0.682 263 V HN 0.695 8.885 8.190 -0.000 0.000 0.463 264 T N -3.553 110.922 114.554 -0.131 0.000 3.054 264 T HA 0.153 4.503 4.350 0.001 0.000 0.255 264 T C 0.510 175.202 174.700 -0.013 0.000 1.035 264 T CA -0.048 62.010 62.100 -0.070 0.000 0.941 264 T CB -0.410 68.402 68.868 -0.092 0.000 1.026 264 T HN 0.498 8.738 8.240 -0.000 0.000 0.533 265 H N 3.315 122.365 119.070 -0.034 0.000 2.652 265 H HA 0.314 4.871 4.556 0.001 0.000 0.298 265 H C -1.423 173.899 175.328 -0.011 0.000 1.076 265 H CA -2.090 53.968 56.048 0.017 0.000 1.360 265 H CB 1.567 31.420 29.762 0.152 0.000 1.421 265 H HN -0.054 8.226 8.280 -0.000 0.000 0.464 266 P HA -0.074 4.346 4.420 -0.000 0.000 0.228 266 P C 1.205 178.486 177.300 -0.032 0.000 1.151 266 P CA 1.029 64.118 63.100 -0.018 0.000 0.770 266 P CB 0.279 31.926 31.700 -0.088 0.000 0.786 267 G N -1.474 107.411 108.800 0.141 0.000 2.623 267 G HA2 -0.160 3.801 3.960 0.001 0.000 0.214 267 G HA3 -0.160 3.801 3.960 0.001 0.000 0.214 267 G C 0.224 174.551 174.900 -0.955 0.000 1.138 267 G CA -0.120 44.799 45.100 -0.302 0.000 0.794 267 G HN 0.241 8.531 8.290 -0.000 0.000 0.535 268 Y N 1.292 120.969 120.300 -1.038 0.000 2.442 268 Y HA 0.319 4.870 4.550 0.002 0.000 0.330 268 Y C 1.094 176.752 175.900 -0.404 0.000 1.129 268 Y CA -0.498 57.025 58.100 -0.962 0.000 1.365 268 Y CB 0.850 39.094 38.460 -0.361 0.000 1.233 268 Y HN -0.054 8.226 8.280 -0.000 0.000 0.529 269 M N 5.544 124.647 119.600 -0.828 0.000 2.313 269 M HA 0.284 4.765 4.480 0.001 0.000 0.273 269 M C 1.028 176.934 176.300 -0.657 0.000 1.049 269 M CA 0.568 55.533 55.300 -0.558 0.000 1.004 269 M CB -1.183 31.253 32.600 -0.273 0.000 1.461 269 M HN 0.877 9.167 8.290 -0.000 0.000 0.514 270 A N 0.916 122.977 122.820 -1.266 0.000 5.938 270 A HA -0.273 4.048 4.320 0.001 0.000 0.284 270 A C -0.265 177.121 177.584 -0.329 0.000 1.994 270 A CA 0.645 52.289 52.037 -0.655 0.000 0.717 270 A CB -1.679 17.160 19.000 -0.269 0.000 1.191 270 A HN 0.372 8.522 8.150 -0.000 0.000 0.377 271 F N -0.403 119.547 119.950 -0.001 0.000 2.502 271 F HA 0.510 5.038 4.527 0.001 0.000 0.371 271 F C 0.548 176.364 175.800 0.027 0.000 1.083 271 F CA 0.287 58.317 58.000 0.049 0.000 1.174 271 F CB 0.521 39.580 39.000 0.099 0.000 1.096 271 F HN 0.486 8.786 8.300 -0.000 0.000 0.545 272 L N 2.063 123.386 121.223 0.166 0.000 2.303 272 L HA 0.542 4.883 4.340 0.001 0.000 0.256 272 L C 0.240 177.204 176.870 0.156 0.000 1.034 272 L CA -0.719 54.198 54.840 0.129 0.000 0.832 272 L CB 2.145 44.248 42.059 0.073 0.000 1.403 272 L HN 0.383 8.613 8.230 -0.000 0.000 0.419 273 T N -0.748 113.880 114.554 0.123 0.000 2.847 273 T HA 0.117 4.468 4.350 0.001 0.000 0.279 273 T C 0.582 175.379 174.700 0.161 0.000 0.984 273 T CA 0.139 62.318 62.100 0.131 0.000 0.988 273 T CB 0.510 69.426 68.868 0.080 0.000 1.040 273 T HN 0.445 8.685 8.240 -0.000 0.000 0.528 274 Y N 1.082 121.421 120.300 0.065 0.000 2.274 274 Y HA -0.112 4.439 4.550 0.001 0.000 0.290 274 Y C 1.793 177.723 175.900 0.049 0.000 1.145 274 Y CA 1.535 59.672 58.100 0.060 0.000 1.203 274 Y CB -0.289 38.204 38.460 0.056 0.000 0.984 274 Y HN 0.577 8.857 8.280 -0.000 0.000 0.533 275 D N -0.194 120.088 120.400 -0.197 0.000 2.162 275 D HA -0.113 4.528 4.640 0.001 0.000 0.203 275 D C 1.935 178.111 176.300 -0.207 0.000 0.967 275 D CA 1.263 55.084 54.000 -0.299 0.000 0.840 275 D CB -0.210 40.500 40.800 -0.150 0.000 0.972 275 D HN 0.511 8.881 8.370 -0.000 0.000 0.482 276 E N 0.423 120.568 120.200 -0.092 0.000 2.110 276 E HA -0.110 4.240 4.350 0.001 0.000 0.193 276 E C 2.233 178.809 176.600 -0.041 0.000 0.988 276 E CA 0.513 56.887 56.400 -0.044 0.000 0.804 276 E CB 0.128 29.829 29.700 0.002 0.000 0.745 276 E HN 0.026 8.386 8.360 -0.000 0.000 0.458 277 V N 1.720 121.617 119.914 -0.028 0.000 2.233 277 V HA -0.336 3.784 4.120 0.001 0.000 0.247 277 V C 2.139 178.218 176.094 -0.026 0.000 1.050 277 V CA 1.981 64.299 62.300 0.030 0.000 1.010 277 V CB -0.480 31.449 31.823 0.176 0.000 0.637 277 V HN 0.231 8.421 8.190 -0.000 0.000 0.444 278 K N 0.254 120.531 120.400 -0.205 0.000 2.034 278 K HA -0.261 4.059 4.320 0.001 0.000 0.214 278 K C 2.283 178.835 176.600 -0.079 0.000 1.051 278 K CA 1.824 57.999 56.287 -0.186 0.000 0.931 278 K CB -0.593 31.697 32.500 -0.351 0.000 0.715 278 K HN 0.497 8.747 8.250 -0.000 0.000 0.446 279 A N 1.472 124.235 122.820 -0.096 0.000 1.933 279 A HA -0.188 4.132 4.320 0.001 0.000 0.218 279 A C 2.146 179.716 177.584 -0.023 0.000 1.175 279 A CA 1.472 53.474 52.037 -0.058 0.000 0.628 279 A CB -0.429 18.536 19.000 -0.059 0.000 0.814 279 A HN 0.240 8.390 8.150 -0.000 0.000 0.444 280 R N -0.604 119.900 120.500 0.007 0.000 2.093 280 R HA 0.098 4.439 4.340 0.001 0.000 0.224 280 R C 1.693 178.066 176.300 0.123 0.000 1.101 280 R CA 0.941 57.072 56.100 0.051 0.000 0.979 280 R CB -0.246 30.097 30.300 0.071 0.000 0.877 280 R HN 0.527 8.797 8.270 -0.000 0.000 0.441 281 L N 0.488 121.799 121.223 0.147 0.000 2.478 281 L HA -0.058 4.282 4.340 0.001 0.000 0.223 281 L C 2.232 179.193 176.870 0.152 0.000 1.140 281 L CA 0.375 55.361 54.840 0.243 0.000 0.842 281 L CB -0.164 42.017 42.059 0.202 0.000 0.953 281 L HN 0.203 8.433 8.230 -0.000 0.000 0.452 282 Q N 0.785 120.614 119.800 0.048 0.000 2.096 282 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 282 Q C 2.034 178.011 176.000 -0.037 0.000 0.982 282 Q CA 1.506 57.312 55.803 0.006 0.000 0.850 282 Q CB 0.101 28.823 28.738 -0.028 0.000 0.901 282 Q HN 0.192 8.462 8.270 -0.000 0.000 0.422 283 K N -0.600 119.699 120.400 -0.170 0.000 2.360 283 K HA -0.139 4.181 4.320 0.001 0.000 0.201 283 K C 0.609 176.973 176.600 -0.393 0.000 1.046 283 K CA 0.897 56.967 56.287 -0.362 0.000 0.940 283 K CB -0.095 31.996 32.500 -0.682 0.000 0.748 283 K HN 0.267 8.517 8.250 -0.000 0.000 0.465 284 F N -0.727 119.279 119.950 0.095 0.000 2.683 284 F HA 0.219 4.747 4.527 0.002 0.000 0.306 284 F C 1.531 177.274 175.800 -0.094 0.000 1.102 284 F CA -1.128 56.832 58.000 -0.066 0.000 1.244 284 F CB -0.296 38.683 39.000 -0.035 0.000 1.029 284 F HN -0.223 8.077 8.300 -0.000 0.000 0.545 285 I N 1.268 121.934 120.570 0.159 0.000 2.181 285 I HA -0.366 3.805 4.170 0.001 0.000 0.247 285 I C 2.832 179.025 176.117 0.127 0.000 1.081 285 I CA 1.959 63.343 61.300 0.140 0.000 1.340 285 I CB -0.267 37.814 38.000 0.135 0.000 1.036 285 I HN 0.316 8.526 8.210 -0.000 0.000 0.417 286 H N -0.436 118.687 119.070 0.088 0.000 2.547 286 H HA 0.151 4.707 4.556 0.001 0.000 0.266 286 H C 0.775 176.162 175.328 0.099 0.000 0.988 286 H CA 0.199 56.291 56.048 0.074 0.000 1.147 286 H CB -0.426 29.362 29.762 0.043 0.000 1.365 286 H HN 0.312 8.592 8.280 -0.000 0.000 0.589 287 K N 2.154 122.364 120.400 -0.316 0.000 2.753 287 K HA 0.270 4.591 4.320 0.001 0.000 0.185 287 K C -2.983 173.670 176.600 0.088 0.000 1.071 287 K CA -2.051 54.137 56.287 -0.165 0.000 0.999 287 K CB 1.312 33.595 32.500 -0.361 0.000 1.244 287 K HN -0.069 8.181 8.250 -0.000 0.000 0.594 288 P HA -0.094 4.326 4.420 -0.000 0.000 0.263 288 P C 0.672 178.184 177.300 0.354 0.000 1.168 288 P CA 1.564 64.803 63.100 0.232 0.000 0.759 288 P CB 0.618 32.427 31.700 0.183 0.000 0.782 289 G N 1.690 110.710 108.800 0.367 0.000 2.195 289 G HA2 -0.239 3.722 3.960 0.001 0.000 0.246 289 G HA3 -0.239 3.722 3.960 0.001 0.000 0.246 289 G C 0.301 175.462 174.900 0.435 0.000 0.984 289 G CA 0.103 45.392 45.100 0.315 0.000 0.633 289 G HN 0.603 8.893 8.290 -0.000 0.000 0.525 290 S N 0.366 116.361 115.700 0.492 0.000 2.560 290 S HA 0.554 5.024 4.470 0.001 0.000 0.284 290 S C -0.253 174.609 174.600 0.437 0.000 1.327 290 S CA 0.825 59.240 58.200 0.359 0.000 1.055 290 S CB 0.644 63.908 63.200 0.107 0.000 0.868 290 S HN 1.531 9.841 8.310 -0.000 0.000 0.506 291 Y N 0.193 120.583 120.300 0.149 0.000 2.565 291 Y HA 0.740 5.290 4.550 0.001 0.000 0.330 291 Y C -1.162 174.781 175.900 0.071 0.000 1.150 291 Y CA -1.517 56.671 58.100 0.146 0.000 1.055 291 Y CB 0.568 39.094 38.460 0.111 0.000 1.337 291 Y HN 0.630 8.910 8.280 -0.000 0.000 0.457 292 I N 0.479 121.102 120.570 0.087 0.000 3.322 292 I HA 0.944 5.115 4.170 0.001 0.000 0.313 292 I C -1.619 174.607 176.117 0.182 0.000 1.129 292 I CA -1.584 59.686 61.300 -0.050 0.000 0.963 292 I CB 2.815 40.761 38.000 -0.089 0.000 1.273 292 I HN 0.745 8.955 8.210 -0.000 0.000 0.473 293 F N 0.555 120.510 119.950 0.008 0.000 2.615 293 F HA 0.844 5.371 4.527 0.001 0.000 0.312 293 F C -0.996 174.880 175.800 0.127 0.000 1.119 293 F CA -0.842 57.181 58.000 0.039 0.000 0.979 293 F CB 1.301 40.242 39.000 -0.098 0.000 1.266 293 F HN 0.764 9.064 8.300 -0.000 0.000 0.444 294 R N 3.202 123.938 120.500 0.394 0.000 2.771 294 R HA 0.838 5.179 4.340 0.001 0.000 0.274 294 R C -2.004 174.464 176.300 0.281 0.000 0.987 294 R CA -1.032 55.209 56.100 0.236 0.000 0.908 294 R CB 1.952 32.321 30.300 0.115 0.000 1.213 294 R HN 0.813 9.083 8.270 -0.000 0.000 0.468 295 L N 0.615 121.820 121.223 -0.030 0.000 2.416 295 L HA 0.553 4.894 4.340 0.001 0.000 0.262 295 L C -0.026 176.812 176.870 -0.053 0.000 1.093 295 L CA -0.947 53.718 54.840 -0.291 0.000 0.801 295 L CB 1.839 43.309 42.059 -0.982 0.000 1.191 295 L HN 0.768 8.998 8.230 -0.000 0.000 0.459 296 S N -0.596 115.160 115.700 0.094 0.000 2.756 296 S HA 0.175 4.646 4.470 0.001 0.000 0.303 296 S C 0.684 175.535 174.600 0.418 0.000 1.135 296 S CA -0.997 57.367 58.200 0.273 0.000 1.066 296 S CB 0.878 64.174 63.200 0.160 0.000 1.008 296 S HN 0.779 9.089 8.310 -0.000 0.000 0.482 297 C N 3.068 122.644 119.300 0.460 0.000 2.422 297 C HA 0.024 4.484 4.460 0.001 0.000 0.286 297 C C 2.254 177.370 174.990 0.209 0.000 1.412 297 C CA 1.170 60.346 59.018 0.264 0.000 1.786 297 C CB -2.217 25.531 27.740 0.014 0.000 1.835 297 C HN 0.902 9.132 8.230 -0.000 0.000 0.533 298 T N -2.675 111.991 114.554 0.186 0.000 3.037 298 T HA 0.207 4.557 4.350 0.001 0.000 0.251 298 T C 0.988 175.771 174.700 0.138 0.000 1.079 298 T CA 0.103 62.290 62.100 0.144 0.000 1.067 298 T CB -0.254 68.684 68.868 0.117 0.000 0.948 298 T HN 0.678 8.918 8.240 -0.000 0.000 0.496 299 R N 1.303 121.890 120.500 0.145 0.000 2.835 299 R HA 0.457 4.797 4.340 0.001 0.000 0.290 299 R C -0.745 175.609 176.300 0.090 0.000 1.410 299 R CA -0.379 55.784 56.100 0.105 0.000 1.590 299 R CB 0.383 30.726 30.300 0.071 0.000 1.288 299 R HN 0.292 8.562 8.270 -0.000 0.000 0.637 300 L N 0.612 121.915 121.223 0.134 0.000 2.543 300 L HA 0.025 4.366 4.340 0.001 0.000 0.285 300 L C 1.375 178.214 176.870 -0.052 0.000 1.236 300 L CA 1.105 55.995 54.840 0.084 0.000 0.871 300 L CB 0.258 42.402 42.059 0.142 0.000 1.121 300 L HN 0.836 9.066 8.230 -0.000 0.000 0.501 301 G N 1.966 110.663 108.800 -0.172 0.000 2.137 301 G HA2 -0.227 3.734 3.960 0.001 0.000 0.237 301 G HA3 -0.227 3.734 3.960 0.001 0.000 0.237 301 G C -0.053 174.681 174.900 -0.277 0.000 1.002 301 G CA -0.259 44.685 45.100 -0.259 0.000 0.702 301 G HN 0.622 8.912 8.290 -0.000 0.000 0.515 302 Q N -1.418 118.208 119.800 -0.290 0.000 2.315 302 Q HA 0.518 4.859 4.340 0.001 0.000 0.273 302 Q C -0.816 175.051 176.000 -0.221 0.000 1.053 302 Q CA -0.864 54.824 55.803 -0.192 0.000 0.817 302 Q CB 1.786 30.488 28.738 -0.060 0.000 1.326 302 Q HN 0.343 8.613 8.270 -0.000 0.000 0.423 303 W N 0.866 122.133 121.300 -0.054 0.000 2.436 303 W HA 0.716 5.376 4.660 0.000 0.000 0.347 303 W C -0.124 176.398 176.519 0.006 0.000 1.136 303 W CA -0.594 56.735 57.345 -0.027 0.000 1.286 303 W CB 1.481 30.902 29.460 -0.065 0.000 1.253 303 W HN 0.602 8.782 8.180 -0.000 0.000 0.617 304 A N 3.034 126.068 122.820 0.357 0.000 2.402 304 A HA 0.646 4.967 4.320 0.001 0.000 0.291 304 A C -1.271 176.448 177.584 0.225 0.000 1.051 304 A CA -0.698 51.471 52.037 0.220 0.000 0.716 304 A CB 0.510 19.607 19.000 0.161 0.000 1.223 304 A HN 0.585 8.735 8.150 -0.000 0.000 0.425 305 I N 2.635 123.297 120.570 0.153 0.000 2.331 305 I HA 0.476 4.647 4.170 0.001 0.000 0.292 305 I C 0.953 177.184 176.117 0.191 0.000 0.998 305 I CA -0.353 61.015 61.300 0.113 0.000 1.267 305 I CB 1.820 39.750 38.000 -0.117 0.000 1.386 305 I HN 0.707 8.917 8.210 -0.000 0.000 0.476 306 G N 5.702 114.650 108.800 0.246 0.000 2.367 306 G HA2 0.570 4.531 3.960 0.001 0.000 0.314 306 G HA3 0.570 4.531 3.960 0.001 0.000 0.314 306 G C -1.310 173.840 174.900 0.415 0.000 1.130 306 G CA -0.174 45.114 45.100 0.315 0.000 0.864 306 G HN 0.625 8.915 8.290 -0.000 0.000 0.486 307 Y N -0.573 119.849 120.300 0.203 0.000 2.638 307 Y HA 0.662 5.214 4.550 0.003 0.000 0.335 307 Y C -1.262 174.772 175.900 0.223 0.000 1.155 307 Y CA -1.784 56.468 58.100 0.252 0.000 1.046 307 Y CB 0.944 39.610 38.460 0.343 0.000 1.303 307 Y HN 0.457 8.737 8.280 -0.000 0.000 0.460 308 V N 3.080 123.108 119.914 0.190 0.000 2.383 308 V HA 0.463 4.583 4.120 0.001 0.000 0.275 308 V C 0.455 176.602 176.094 0.088 0.000 1.036 308 V CA -0.028 62.316 62.300 0.073 0.000 0.889 308 V CB 0.858 32.787 31.823 0.177 0.000 0.985 308 V HN 1.017 9.207 8.190 -0.000 0.000 0.459 309 T N 2.316 116.837 114.554 -0.055 0.000 2.816 309 T HA 0.502 4.853 4.350 0.001 0.000 0.282 309 T C 1.438 176.215 174.700 0.128 0.000 0.993 309 T CA 0.056 62.202 62.100 0.077 0.000 0.994 309 T CB 1.518 70.379 68.868 -0.013 0.000 1.025 309 T HN 0.752 8.992 8.240 -0.000 0.000 0.529 310 A N 0.980 123.892 122.820 0.154 0.000 1.978 310 A HA -0.105 4.216 4.320 0.001 0.000 0.220 310 A C 1.949 179.582 177.584 0.082 0.000 1.170 310 A CA 1.757 53.862 52.037 0.114 0.000 0.636 310 A CB -0.959 18.102 19.000 0.102 0.000 0.810 310 A HN 0.990 9.140 8.150 -0.000 0.000 0.448 311 D N -1.754 118.686 120.400 0.066 0.000 2.328 311 D HA 0.216 4.857 4.640 0.001 0.000 0.226 311 D C 1.027 177.355 176.300 0.047 0.000 1.066 311 D CA 0.826 54.856 54.000 0.050 0.000 0.861 311 D CB -0.526 40.297 40.800 0.039 0.000 0.912 311 D HN 0.799 9.169 8.370 -0.000 0.000 0.521 312 G N 0.607 109.439 108.800 0.053 0.000 2.149 312 G HA2 -0.264 3.696 3.960 0.001 0.000 0.235 312 G HA3 -0.264 3.696 3.960 0.001 0.000 0.235 312 G C -0.385 174.535 174.900 0.033 0.000 1.018 312 G CA -0.094 45.037 45.100 0.052 0.000 0.728 312 G HN 0.479 8.769 8.290 -0.000 0.000 0.508 313 N N -0.873 117.831 118.700 0.007 0.000 2.443 313 N HA 0.705 5.446 4.740 0.001 0.000 0.293 313 N C 0.031 175.509 175.510 -0.052 0.000 1.159 313 N CA -0.782 52.262 53.050 -0.011 0.000 0.904 313 N CB 1.425 39.904 38.487 -0.013 0.000 1.214 313 N HN 0.161 8.541 8.380 -0.000 0.000 0.513 314 I N 2.104 122.661 120.570 -0.021 0.000 2.297 314 I HA 0.241 4.412 4.170 0.001 0.000 0.291 314 I C -0.750 175.364 176.117 -0.005 0.000 1.033 314 I CA -0.286 61.006 61.300 -0.012 0.000 1.253 314 I CB 0.286 38.326 38.000 0.067 0.000 1.396 314 I HN 0.235 8.445 8.210 -0.000 0.000 0.476 315 L N 6.269 127.405 121.223 -0.145 0.000 2.334 315 L HA 0.498 4.838 4.340 0.001 0.000 0.276 315 L C -0.335 176.568 176.870 0.055 0.000 1.014 315 L CA -0.690 54.102 54.840 -0.080 0.000 0.815 315 L CB 1.995 43.932 42.059 -0.204 0.000 1.268 315 L HN 0.534 8.764 8.230 -0.000 0.000 0.428 316 Q N 1.958 121.774 119.800 0.026 0.000 2.282 316 Q HA 0.648 4.989 4.340 0.001 0.000 0.260 316 Q C -1.130 174.880 176.000 0.017 0.000 0.964 316 Q CA -0.369 55.433 55.803 -0.001 0.000 0.880 316 Q CB 1.987 30.508 28.738 -0.361 0.000 1.286 316 Q HN 0.709 8.979 8.270 -0.000 0.000 0.445 317 T N 1.466 116.077 114.554 0.096 0.000 2.865 317 T HA 0.683 5.033 4.350 0.001 0.000 0.294 317 T C -0.394 174.369 174.700 0.105 0.000 1.119 317 T CA -0.835 61.335 62.100 0.118 0.000 1.007 317 T CB 0.960 69.941 68.868 0.188 0.000 1.225 317 T HN 0.576 8.816 8.240 -0.000 0.000 0.515 318 I N 1.245 121.880 120.570 0.109 0.000 2.642 318 I HA 0.229 4.400 4.170 0.001 0.000 0.273 318 I C -2.338 173.814 176.117 0.059 0.000 1.208 318 I CA -1.799 59.545 61.300 0.073 0.000 1.037 318 I CB 1.646 39.659 38.000 0.023 0.000 1.253 318 I HN 0.466 8.676 8.210 -0.000 0.000 0.504 319 P HA -0.169 4.251 4.420 -0.000 0.000 0.262 319 P C 0.637 178.063 177.300 0.210 0.000 1.371 319 P CA 1.369 64.576 63.100 0.177 0.000 0.786 319 P CB -0.450 31.315 31.700 0.108 0.000 1.404 320 H N -2.155 116.926 119.070 0.018 0.000 1.452 320 H HA -0.222 4.335 4.556 0.001 0.000 0.090 320 H C 0.137 175.471 175.328 0.011 0.000 0.624 320 H CA 1.679 57.733 56.048 0.010 0.000 1.901 320 H CB -1.839 27.924 29.762 0.002 0.000 2.257 320 H HN 0.273 8.553 8.280 -0.000 0.000 0.961 321 N N 1.771 120.558 118.700 0.145 0.000 2.622 321 N HA 0.221 4.962 4.740 0.001 0.000 0.304 321 N C -1.149 174.400 175.510 0.065 0.000 1.844 321 N CA -0.199 52.895 53.050 0.073 0.000 0.886 321 N CB 1.062 39.582 38.487 0.056 0.000 1.366 321 N HN 0.311 8.691 8.380 -0.000 0.000 0.491 322 K N -0.942 119.502 120.400 0.073 0.000 2.426 322 K HA 0.656 4.977 4.320 0.001 0.000 0.251 322 K C -3.002 173.630 176.600 0.053 0.000 0.941 322 K CA -1.944 54.375 56.287 0.053 0.000 0.808 322 K CB 1.603 34.129 32.500 0.042 0.000 1.265 322 K HN -0.242 8.008 8.250 -0.000 0.000 0.432 323 P HA -0.135 4.285 4.420 -0.000 0.000 0.269 323 P C 0.725 178.026 177.300 0.001 0.000 1.205 323 P CA -0.457 62.673 63.100 0.050 0.000 0.780 323 P CB 0.405 32.139 31.700 0.057 0.000 0.858 324 L N 2.348 123.515 121.223 -0.094 0.000 1.997 324 L HA -0.210 4.130 4.340 0.001 0.000 0.216 324 L C 2.311 179.010 176.870 -0.286 0.000 1.074 324 L CA 1.836 56.454 54.840 -0.369 0.000 0.763 324 L CB -1.500 39.960 42.059 -0.997 0.000 0.890 324 L HN 0.316 8.546 8.230 -0.000 0.000 0.434 325 F N -0.144 119.619 119.950 -0.311 0.000 2.087 325 F HA -0.352 4.176 4.527 0.001 0.000 0.299 325 F C 2.696 178.408 175.800 -0.147 0.000 1.100 325 F CA 2.310 60.180 58.000 -0.218 0.000 1.226 325 F CB -0.306 38.622 39.000 -0.120 0.000 0.983 325 F HN 0.293 8.593 8.300 -0.000 0.000 0.479 326 Q N 0.301 120.207 119.800 0.176 0.000 2.083 326 Q HA -0.037 4.304 4.340 0.001 0.000 0.198 326 Q C 2.205 178.203 176.000 -0.003 0.000 0.969 326 Q CA 1.749 57.608 55.803 0.093 0.000 0.838 326 Q CB -0.688 28.101 28.738 0.085 0.000 0.900 326 Q HN 0.397 8.667 8.270 -0.000 0.000 0.436 327 A N 0.406 123.211 122.820 -0.025 0.000 1.917 327 A HA -0.196 4.125 4.320 0.001 0.000 0.219 327 A C 2.101 179.680 177.584 -0.008 0.000 1.182 327 A CA 1.684 53.707 52.037 -0.024 0.000 0.633 327 A CB -0.906 18.081 19.000 -0.021 0.000 0.819 327 A HN 0.465 8.615 8.150 -0.000 0.000 0.448 328 L N -0.749 120.398 121.223 -0.127 0.000 2.056 328 L HA -0.173 4.167 4.340 0.001 0.000 0.207 328 L C 2.529 179.365 176.870 -0.058 0.000 1.078 328 L CA 1.246 56.017 54.840 -0.115 0.000 0.749 328 L CB -0.566 41.296 42.059 -0.329 0.000 0.901 328 L HN 0.383 8.613 8.230 -0.000 0.000 0.433 329 I N 0.073 120.578 120.570 -0.108 0.000 2.127 329 I HA -0.328 3.842 4.170 0.001 0.000 0.241 329 I C 2.137 178.242 176.117 -0.019 0.000 1.075 329 I CA 1.459 62.720 61.300 -0.064 0.000 1.334 329 I CB -0.445 37.523 38.000 -0.054 0.000 1.040 329 I HN 0.296 8.506 8.210 -0.000 0.000 0.405 330 D N 0.836 121.207 120.400 -0.047 0.000 2.144 330 D HA -0.118 4.523 4.640 0.001 0.000 0.199 330 D C 2.164 178.360 176.300 -0.173 0.000 0.984 330 D CA 1.493 55.443 54.000 -0.083 0.000 0.834 330 D CB -0.540 40.212 40.800 -0.079 0.000 0.955 330 D HN 0.404 8.774 8.370 -0.000 0.000 0.465 331 G N -0.283 108.366 108.800 -0.252 0.000 2.422 331 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 331 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 331 G C 1.441 176.049 174.900 -0.487 0.000 1.140 331 G CA 0.123 44.806 45.100 -0.694 0.000 0.775 331 G HN 0.201 8.491 8.290 -0.000 0.000 0.545 332 F N 1.640 121.392 119.950 -0.330 0.000 2.014 332 F HA 0.003 4.530 4.527 0.001 0.000 0.295 332 F C 2.913 178.547 175.800 -0.277 0.000 1.145 332 F CA 1.699 59.538 58.000 -0.269 0.000 1.178 332 F CB -0.317 38.578 39.000 -0.175 0.000 0.972 332 F HN -0.058 8.242 8.300 -0.000 0.000 0.476 333 R N 0.360 120.811 120.500 -0.081 0.000 2.224 333 R HA -0.294 4.047 4.340 0.001 0.000 0.251 333 R C 1.885 177.979 176.300 -0.343 0.000 1.123 333 R CA 2.510 58.508 56.100 -0.170 0.000 0.944 333 R CB -1.233 29.018 30.300 -0.081 0.000 0.910 333 R HN 0.502 8.772 8.270 -0.000 0.000 0.440 334 E N -0.726 119.237 120.200 -0.394 0.000 2.516 334 E HA 0.023 4.373 4.350 0.001 0.000 0.199 334 E C 0.889 176.974 176.600 -0.859 0.000 1.069 334 E CA 0.366 56.452 56.400 -0.523 0.000 0.876 334 E CB 0.182 29.640 29.700 -0.404 0.000 0.843 334 E HN 0.637 8.997 8.360 -0.000 0.000 0.530 335 G N 0.556 108.870 108.800 -0.810 0.000 2.160 335 G HA2 -0.294 3.666 3.960 0.001 0.000 0.251 335 G HA3 -0.294 3.666 3.960 0.001 0.000 0.251 335 G C 0.390 174.781 174.900 -0.848 0.000 1.008 335 G CA 0.437 45.056 45.100 -0.801 0.000 0.724 335 G HN 0.280 8.570 8.290 -0.000 0.000 0.514 336 F N -1.007 118.671 119.950 -0.454 0.000 2.317 336 F HA 0.356 4.884 4.527 0.001 0.000 0.290 336 F C 1.181 176.837 175.800 -0.240 0.000 1.075 336 F CA -0.076 57.683 58.000 -0.402 0.000 1.380 336 F CB -0.082 38.434 39.000 -0.808 0.000 1.093 336 F HN 0.175 8.475 8.300 -0.000 0.000 0.524 337 Y N 1.668 121.802 120.300 -0.276 0.000 2.880 337 Y HA 0.394 4.944 4.550 0.001 0.000 0.329 337 Y C 0.725 176.493 175.900 -0.220 0.000 1.156 337 Y CA -1.276 56.520 58.100 -0.507 0.000 1.348 337 Y CB -0.351 37.501 38.460 -1.014 0.000 1.280 337 Y HN 0.019 8.299 8.280 -0.000 0.000 0.516 338 L N 0.461 121.697 121.223 0.021 0.000 2.500 338 L HA 0.256 4.597 4.340 0.001 0.000 0.219 338 L C -0.421 176.320 176.870 -0.216 0.000 1.057 338 L CA 0.507 55.164 54.840 -0.306 0.000 0.854 338 L CB 0.363 41.778 42.059 -1.072 0.000 1.078 338 L HN 0.187 8.417 8.230 -0.000 0.000 0.480 339 F N 1.649 121.845 119.950 0.410 0.000 2.552 339 F HA 0.381 4.909 4.527 0.001 0.000 0.369 339 F C -2.482 173.238 175.800 -0.134 0.000 1.112 339 F CA -3.276 54.796 58.000 0.121 0.000 1.129 339 F CB 0.514 39.515 39.000 0.001 0.000 1.360 339 F HN -0.238 8.062 8.300 -0.000 0.000 0.473 340 P HA 0.093 4.513 4.420 -0.000 0.000 0.281 340 P C 0.101 177.170 177.300 -0.386 0.000 1.286 340 P CA 0.185 62.926 63.100 -0.598 0.000 0.772 340 P CB 1.172 32.696 31.700 -0.293 0.000 0.862 341 D N 3.944 124.076 120.400 -0.447 0.000 2.811 341 D HA -0.211 4.430 4.640 0.001 0.000 0.231 341 D C 1.137 177.034 176.300 -0.673 0.000 1.157 341 D CA 2.115 55.884 54.000 -0.384 0.000 0.716 341 D CB -1.559 39.117 40.800 -0.207 0.000 1.077 341 D HN 0.777 9.147 8.370 -0.000 0.000 0.428 342 G N -0.972 107.356 108.800 -0.785 0.000 2.179 342 G HA2 -0.376 3.585 3.960 0.001 0.000 0.260 342 G HA3 -0.376 3.585 3.960 0.001 0.000 0.260 342 G C 0.479 175.152 174.900 -0.378 0.000 0.977 342 G CA 0.430 44.917 45.100 -1.022 0.000 0.641 342 G HN 0.647 8.937 8.290 -0.000 0.000 0.533 343 R N -0.305 120.085 120.500 -0.184 0.000 2.560 343 R HA 0.428 4.768 4.340 0.001 0.000 0.270 343 R C 1.234 177.587 176.300 0.088 0.000 1.074 343 R CA 0.134 56.202 56.100 -0.053 0.000 1.140 343 R CB 0.257 30.531 30.300 -0.044 0.000 1.073 343 R HN 0.300 8.570 8.270 -0.000 0.000 0.527 344 N N 0.206 118.945 118.700 0.065 0.000 2.409 344 N HA -0.144 4.596 4.740 0.001 0.000 0.179 344 N C 0.017 175.677 175.510 0.249 0.000 1.032 344 N CA 0.489 53.641 53.050 0.170 0.000 0.898 344 N CB 0.247 38.765 38.487 0.052 0.000 0.971 344 N HN 0.345 8.725 8.380 -0.000 0.000 0.441 345 Q N 1.294 121.172 119.800 0.130 0.000 2.348 345 Q HA 0.221 4.561 4.340 0.001 0.000 0.265 345 Q C -1.346 174.673 176.000 0.032 0.000 0.998 345 Q CA -0.534 55.313 55.803 0.074 0.000 0.831 345 Q CB 0.659 29.405 28.738 0.013 0.000 1.251 345 Q HN 0.081 8.351 8.270 -0.000 0.000 0.456 346 N N 4.826 123.537 118.700 0.018 0.000 2.479 346 N HA 0.389 5.130 4.740 0.001 0.000 0.285 346 N C -2.259 173.138 175.510 -0.188 0.000 1.075 346 N CA -1.829 51.195 53.050 -0.044 0.000 0.967 346 N CB 0.924 39.387 38.487 -0.040 0.000 1.137 346 N HN 0.477 8.857 8.380 -0.000 0.000 0.472 347 P HA -0.029 4.391 4.420 -0.000 0.000 0.265 347 P C -0.950 176.188 177.300 -0.270 0.000 1.187 347 P CA 0.196 63.131 63.100 -0.275 0.000 0.766 347 P CB 0.442 31.893 31.700 -0.414 0.000 0.820 348 D N 2.808 123.065 120.400 -0.238 0.000 2.393 348 D HA 0.080 4.721 4.640 0.001 0.000 0.232 348 D C 0.841 177.022 176.300 -0.198 0.000 1.192 348 D CA -0.040 53.815 54.000 -0.242 0.000 0.882 348 D CB 0.377 41.073 40.800 -0.174 0.000 1.038 348 D HN 0.286 8.656 8.370 -0.000 0.000 0.499 349 L N 2.634 123.703 121.223 -0.257 0.000 2.599 349 L HA 0.009 4.350 4.340 0.001 0.000 0.230 349 L C 1.622 178.417 176.870 -0.125 0.000 1.141 349 L CA 0.218 54.860 54.840 -0.331 0.000 0.877 349 L CB -0.276 41.352 42.059 -0.719 0.000 1.009 349 L HN 0.344 8.574 8.230 -0.000 0.000 0.447 350 T N 0.000 114.509 114.554 -0.076 0.000 3.816 350 T HA 0.000 4.351 4.350 0.001 0.000 0.228 350 T CA 0.000 62.105 62.100 0.009 0.000 1.349 350 T CB 0.000 68.859 68.868 -0.016 0.000 0.612 350 T HN 0.000 8.240 8.240 -0.000 0.000 0.658