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 3pej_1_B DATA FIRST_RESID 71 DATA SEQUENCE SMESHQYQTE VTRLMDIIVN SLYTQKEVFL RELISNAADA LEKIRFLSLS DATA SEQUENCE DESVLGEEKK LEIRISANKE KNILSITDTG IGMTKVDLIN NLGTIAKSGT DATA SEQUENCE SNFLEAISKS GGDMSLIGQF GVGFYSAFLV ADKVIVYTKN NDDEQYIWES DATA SEQUENCE TADAKFTIYK DPRGATLKRG TRISLHLKED ATNLLNDKKL MDLISKYSQF DATA SEQUENCE IQFPIYLLHE NVYTEEVLAD IAKDMVNDPN YDSVKVEETD DPNKKTRTVE DATA SEQUENCE KKVKKWTLMN 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 71 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 71 S C 0.000 174.588 174.600 -0.020 0.000 1.055 71 S CA 0.000 58.243 58.200 0.072 0.000 1.107 71 S CB 0.000 63.254 63.200 0.089 0.000 0.593 72 M N 0.754 120.265 119.600 -0.148 0.000 2.777 72 M HA 0.952 5.424 4.480 -0.013 0.000 0.307 72 M C 0.079 175.978 176.300 -0.668 0.000 1.228 72 M CA -0.078 55.026 55.300 -0.328 0.000 0.871 72 M CB -0.466 32.027 32.600 -0.178 0.000 1.721 72 M HN 1.200 9.490 8.290 -0.000 0.000 0.487 73 E N 0.589 120.291 120.200 -0.829 0.000 2.373 73 E HA 0.601 4.943 4.350 -0.013 0.000 0.263 73 E C 0.268 176.754 176.600 -0.190 0.000 1.073 73 E CA 0.026 55.945 56.400 -0.801 0.000 0.894 73 E CB 0.629 30.080 29.700 -0.415 0.000 1.008 73 E HN 1.609 9.969 8.360 -0.000 0.000 0.420 74 S N -1.265 114.460 115.700 0.042 0.000 2.713 74 S HA 0.328 4.790 4.470 -0.013 0.000 0.283 74 S C 0.914 175.631 174.600 0.194 0.000 1.161 74 S CA 0.002 58.279 58.200 0.127 0.000 0.999 74 S CB 0.986 64.284 63.200 0.162 0.000 1.039 74 S HN 0.780 9.090 8.310 -0.000 0.000 0.548 75 H N 1.048 120.170 119.070 0.087 0.000 2.403 75 H HA 0.142 4.690 4.556 -0.013 0.000 0.298 75 H C 2.064 177.448 175.328 0.092 0.000 1.059 75 H CA 2.131 58.224 56.048 0.076 0.000 1.363 75 H CB -0.035 29.752 29.762 0.041 0.000 1.410 75 H HN 0.687 8.967 8.280 -0.000 0.000 0.528 76 Q N -0.911 118.925 119.800 0.061 0.000 2.084 76 Q HA -0.221 4.111 4.340 -0.013 0.000 0.202 76 Q C 1.794 177.808 176.000 0.024 0.000 0.978 76 Q CA 1.775 57.586 55.803 0.013 0.000 0.844 76 Q CB -0.205 28.581 28.738 0.080 0.000 0.898 76 Q HN 0.625 8.895 8.270 -0.000 0.000 0.426 77 Y N 0.697 121.005 120.300 0.012 0.000 2.145 77 Y HA -0.299 4.243 4.550 -0.013 0.000 0.286 77 Y C 2.543 178.454 175.900 0.018 0.000 1.145 77 Y CA 2.666 60.798 58.100 0.054 0.000 1.148 77 Y CB -0.531 38.048 38.460 0.199 0.000 0.981 77 Y HN 0.236 8.516 8.280 -0.000 0.000 0.507 78 Q N -0.514 119.382 119.800 0.161 0.000 2.170 78 Q HA -0.148 4.184 4.340 -0.013 0.000 0.203 78 Q C 2.048 177.973 176.000 -0.125 0.000 0.976 78 Q CA 2.309 58.139 55.803 0.045 0.000 0.858 78 Q CB -1.602 27.177 28.738 0.069 0.000 0.907 78 Q HN 0.620 8.890 8.270 -0.000 0.000 0.433 79 T N 0.079 114.505 114.554 -0.213 0.000 2.809 79 T HA -0.052 4.290 4.350 -0.013 0.000 0.260 79 T C 1.903 176.494 174.700 -0.182 0.000 1.039 79 T CA 1.119 63.092 62.100 -0.213 0.000 1.141 79 T CB -0.182 68.525 68.868 -0.268 0.000 0.869 79 T HN 0.698 8.938 8.240 -0.000 0.000 0.437 80 E N 1.347 121.426 120.200 -0.202 0.000 2.031 80 E HA -0.107 4.235 4.350 -0.013 0.000 0.193 80 E C 2.123 178.533 176.600 -0.317 0.000 0.994 80 E CA 1.197 57.464 56.400 -0.222 0.000 0.800 80 E CB -0.751 28.823 29.700 -0.210 0.000 0.752 80 E HN 0.222 8.582 8.360 -0.000 0.000 0.447 81 V N 0.448 120.076 119.914 -0.476 0.000 2.407 81 V HA -0.257 3.855 4.120 -0.013 0.000 0.248 81 V C 2.331 178.221 176.094 -0.340 0.000 1.055 81 V CA 2.156 64.105 62.300 -0.584 0.000 1.049 81 V CB -0.857 30.495 31.823 -0.785 0.000 0.662 81 V HN 0.384 8.574 8.190 -0.000 0.000 0.455 82 T N -0.382 114.033 114.554 -0.232 0.000 2.720 82 T HA -0.230 4.112 4.350 -0.013 0.000 0.268 82 T C 2.084 176.710 174.700 -0.123 0.000 1.037 82 T CA 1.689 63.698 62.100 -0.151 0.000 1.144 82 T CB -0.218 68.585 68.868 -0.109 0.000 0.864 82 T HN 0.430 8.670 8.240 -0.000 0.000 0.444 83 R N 0.301 120.725 120.500 -0.127 0.000 2.066 83 R HA 0.079 4.411 4.340 -0.013 0.000 0.232 83 R C 2.529 178.784 176.300 -0.074 0.000 1.131 83 R CA 1.021 57.070 56.100 -0.085 0.000 0.955 83 R CB -0.571 29.681 30.300 -0.080 0.000 0.851 83 R HN 0.327 8.597 8.270 -0.000 0.000 0.432 84 L N 0.281 121.429 121.223 -0.126 0.000 1.990 84 L HA -0.274 4.058 4.340 -0.013 0.000 0.213 84 L C 2.641 179.493 176.870 -0.029 0.000 1.072 84 L CA 1.641 56.423 54.840 -0.097 0.000 0.755 84 L CB -0.414 41.496 42.059 -0.250 0.000 0.889 84 L HN 0.267 8.497 8.230 -0.000 0.000 0.432 85 M N -0.665 118.900 119.600 -0.059 0.000 2.080 85 M HA -0.238 4.234 4.480 -0.013 0.000 0.260 85 M C 1.890 178.205 176.300 0.025 0.000 1.068 85 M CA 1.705 57.012 55.300 0.012 0.000 1.109 85 M CB -0.568 31.992 32.600 -0.066 0.000 1.342 85 M HN 0.216 8.506 8.290 -0.000 0.000 0.405 86 D N 0.675 121.071 120.400 -0.007 0.000 2.104 86 D HA -0.119 4.514 4.640 -0.013 0.000 0.194 86 D C 1.844 178.166 176.300 0.036 0.000 0.994 86 D CA 1.407 55.413 54.000 0.009 0.000 0.830 86 D CB -0.347 40.447 40.800 -0.010 0.000 0.959 86 D HN 0.349 8.719 8.370 -0.000 0.000 0.452 87 I N 0.361 120.952 120.570 0.036 0.000 2.163 87 I HA -0.206 3.956 4.170 -0.013 0.000 0.240 87 I C 2.399 178.563 176.117 0.078 0.000 1.081 87 I CA 0.716 62.049 61.300 0.055 0.000 1.353 87 I CB -0.185 37.847 38.000 0.053 0.000 1.054 87 I HN -0.048 8.162 8.210 -0.000 0.000 0.407 88 I N 0.070 120.691 120.570 0.085 0.000 2.163 88 I HA -0.286 3.876 4.170 -0.013 0.000 0.243 88 I C 2.514 178.697 176.117 0.111 0.000 1.085 88 I CA 1.356 62.717 61.300 0.101 0.000 1.347 88 I CB -0.304 37.772 38.000 0.126 0.000 1.044 88 I HN 0.032 8.242 8.210 -0.000 0.000 0.408 89 V N 0.876 120.860 119.914 0.116 0.000 2.307 89 V HA -0.293 3.819 4.120 -0.013 0.000 0.245 89 V C 2.192 178.403 176.094 0.196 0.000 1.045 89 V CA 2.382 64.764 62.300 0.137 0.000 1.024 89 V CB -0.937 30.950 31.823 0.106 0.000 0.651 89 V HN 0.506 8.696 8.190 -0.000 0.000 0.449 90 N N 0.111 118.909 118.700 0.162 0.000 2.149 90 N HA -0.165 4.567 4.740 -0.013 0.000 0.188 90 N C 1.815 177.488 175.510 0.270 0.000 1.019 90 N CA 1.934 55.112 53.050 0.214 0.000 0.857 90 N CB -0.121 38.437 38.487 0.118 0.000 0.997 90 N HN 0.380 8.760 8.380 -0.000 0.000 0.426 91 S N -0.778 115.010 115.700 0.146 0.000 2.406 91 S HA 0.180 4.642 4.470 -0.013 0.000 0.224 91 S C 1.213 175.808 174.600 -0.008 0.000 1.030 91 S CA 0.418 58.657 58.200 0.065 0.000 0.958 91 S CB 0.182 63.413 63.200 0.051 0.000 0.811 91 S HN 0.292 8.602 8.310 -0.000 0.000 0.489 92 L N 1.465 122.709 121.223 0.035 0.000 2.910 92 L HA 0.246 4.578 4.340 -0.013 0.000 0.252 92 L C 1.220 178.100 176.870 0.016 0.000 1.195 92 L CA -0.160 54.677 54.840 -0.005 0.000 1.003 92 L CB -0.110 41.970 42.059 0.036 0.000 1.328 92 L HN 0.434 8.664 8.230 -0.000 0.000 0.540 93 Y N -1.365 118.958 120.300 0.038 0.000 2.483 93 Y HA -0.141 4.401 4.550 -0.012 0.000 0.291 93 Y C 2.193 178.115 175.900 0.036 0.000 1.143 93 Y CA 1.156 59.277 58.100 0.036 0.000 1.289 93 Y CB -1.213 37.264 38.460 0.028 0.000 0.983 93 Y HN 0.202 8.482 8.280 -0.000 0.000 0.556 94 T N -2.836 111.530 114.554 -0.313 0.000 3.065 94 T HA 0.115 4.457 4.350 -0.013 0.000 0.252 94 T C 0.937 175.598 174.700 -0.065 0.000 1.099 94 T CA 0.363 62.342 62.100 -0.201 0.000 1.063 94 T CB -0.076 68.581 68.868 -0.351 0.000 0.948 94 T HN 0.529 8.769 8.240 -0.000 0.000 0.506 95 Q N -0.185 119.594 119.800 -0.035 0.000 2.115 95 Q HA 0.384 4.716 4.340 -0.013 0.000 0.249 95 Q C 1.217 177.262 176.000 0.075 0.000 0.830 95 Q CA -0.329 55.486 55.803 0.019 0.000 1.104 95 Q CB 0.604 29.339 28.738 -0.004 0.000 1.207 95 Q HN 0.303 8.573 8.270 -0.000 0.000 0.464 96 K N 1.261 121.721 120.400 0.101 0.000 2.163 96 K HA -0.263 4.050 4.320 -0.013 0.000 0.210 96 K C 1.036 177.798 176.600 0.271 0.000 1.048 96 K CA 1.707 58.086 56.287 0.152 0.000 0.928 96 K CB 0.092 32.670 32.500 0.129 0.000 0.716 96 K HN 0.376 8.626 8.250 -0.000 0.000 0.459 97 E N 0.429 120.783 120.200 0.257 0.000 2.515 97 E HA -0.104 4.238 4.350 -0.013 0.000 0.201 97 E C 1.613 178.305 176.600 0.153 0.000 1.071 97 E CA 0.848 57.438 56.400 0.317 0.000 0.880 97 E CB -0.026 29.815 29.700 0.234 0.000 0.828 97 E HN 0.295 8.655 8.360 -0.000 0.000 0.540 98 V N -0.569 119.378 119.914 0.055 0.000 3.305 98 V HA -0.178 3.934 4.120 -0.013 0.000 0.269 98 V C 2.003 177.912 176.094 -0.308 0.000 1.157 98 V CA 0.931 63.080 62.300 -0.251 0.000 1.157 98 V CB -1.283 30.435 31.823 -0.175 0.000 0.772 98 V HN 0.309 8.499 8.190 -0.000 0.000 0.498 99 F N 0.401 120.277 119.950 -0.123 0.000 2.202 99 F HA -0.051 4.469 4.527 -0.011 0.000 0.301 99 F C 1.801 177.526 175.800 -0.126 0.000 1.082 99 F CA 1.709 59.635 58.000 -0.124 0.000 1.313 99 F CB -0.812 38.120 39.000 -0.115 0.000 1.024 99 F HN 0.223 8.523 8.300 -0.000 0.000 0.495 100 L N 0.956 121.379 121.223 -1.333 0.000 2.109 100 L HA 0.008 4.340 4.340 -0.013 0.000 0.207 100 L C 2.774 179.389 176.870 -0.426 0.000 1.086 100 L CA 1.450 55.769 54.840 -0.869 0.000 0.760 100 L CB -0.863 40.790 42.059 -0.677 0.000 0.910 100 L HN 0.227 8.457 8.230 -0.000 0.000 0.437 101 R N -0.808 119.284 120.500 -0.681 0.000 2.096 101 R HA -0.151 4.181 4.340 -0.013 0.000 0.235 101 R C 2.021 178.149 176.300 -0.286 0.000 1.127 101 R CA 1.376 57.109 56.100 -0.611 0.000 0.968 101 R CB 0.015 29.689 30.300 -1.044 0.000 0.861 101 R HN 0.361 8.631 8.270 -0.000 0.000 0.440 102 E N 0.591 120.645 120.200 -0.243 0.000 2.046 102 E HA -0.151 4.192 4.350 -0.013 0.000 0.190 102 E C 2.124 178.699 176.600 -0.041 0.000 0.982 102 E CA 0.991 57.330 56.400 -0.102 0.000 0.800 102 E CB -0.218 29.450 29.700 -0.053 0.000 0.756 102 E HN 0.392 8.752 8.360 -0.000 0.000 0.449 103 L N 0.537 121.733 121.223 -0.046 0.000 2.083 103 L HA -0.121 4.211 4.340 -0.013 0.000 0.209 103 L C 2.562 179.441 176.870 0.016 0.000 1.083 103 L CA 0.795 55.647 54.840 0.019 0.000 0.752 103 L CB -0.438 41.645 42.059 0.040 0.000 0.899 103 L HN 0.066 8.296 8.230 -0.000 0.000 0.433 104 I N -0.918 119.642 120.570 -0.015 0.000 2.226 104 I HA -0.289 3.873 4.170 -0.013 0.000 0.245 104 I C 2.849 178.980 176.117 0.023 0.000 1.100 104 I CA 1.207 62.515 61.300 0.013 0.000 1.374 104 I CB -0.264 37.748 38.000 0.020 0.000 1.057 104 I HN 0.186 8.396 8.210 -0.000 0.000 0.413 105 S N 1.055 116.757 115.700 0.003 0.000 2.356 105 S HA -0.184 4.278 4.470 -0.013 0.000 0.223 105 S C 1.862 176.478 174.600 0.027 0.000 1.032 105 S CA 1.856 60.064 58.200 0.013 0.000 1.005 105 S CB -0.288 62.906 63.200 -0.011 0.000 0.867 105 S HN 0.414 8.724 8.310 -0.000 0.000 0.449 106 N N 1.988 120.707 118.700 0.032 0.000 2.120 106 N HA 0.011 4.744 4.740 -0.013 0.000 0.188 106 N C 1.838 177.362 175.510 0.024 0.000 1.024 106 N CA 1.361 54.435 53.050 0.041 0.000 0.852 106 N CB -0.944 37.589 38.487 0.076 0.000 1.003 106 N HN 0.490 8.870 8.380 -0.000 0.000 0.424 107 A N 0.919 123.753 122.820 0.023 0.000 1.902 107 A HA 0.044 4.356 4.320 -0.013 0.000 0.217 107 A C 2.346 179.899 177.584 -0.051 0.000 1.181 107 A CA 1.935 53.969 52.037 -0.006 0.000 0.623 107 A CB -0.937 18.070 19.000 0.012 0.000 0.818 107 A HN 0.313 8.463 8.150 -0.000 0.000 0.443 108 A N -0.172 122.651 122.820 0.005 0.000 1.933 108 A HA -0.197 4.115 4.320 -0.013 0.000 0.218 108 A C 1.828 179.438 177.584 0.045 0.000 1.175 108 A CA 2.191 54.266 52.037 0.063 0.000 0.628 108 A CB -0.686 18.416 19.000 0.169 0.000 0.814 108 A HN 0.576 8.726 8.150 -0.000 0.000 0.444 109 D N -0.409 120.008 120.400 0.029 0.000 2.117 109 D HA 0.003 4.635 4.640 -0.013 0.000 0.198 109 D C 2.031 178.321 176.300 -0.017 0.000 0.982 109 D CA 1.514 55.526 54.000 0.021 0.000 0.828 109 D CB -0.187 40.622 40.800 0.015 0.000 0.967 109 D HN 0.326 8.696 8.370 -0.000 0.000 0.464 110 A N -0.032 122.760 122.820 -0.047 0.000 1.933 110 A HA -0.081 4.231 4.320 -0.013 0.000 0.218 110 A C 2.353 179.865 177.584 -0.120 0.000 1.175 110 A CA 0.981 52.981 52.037 -0.063 0.000 0.628 110 A CB -0.782 18.186 19.000 -0.053 0.000 0.814 110 A HN 0.364 8.514 8.150 -0.000 0.000 0.444 111 L N -1.097 119.970 121.223 -0.259 0.000 2.056 111 L HA -0.152 4.181 4.340 -0.013 0.000 0.207 111 L C 2.655 179.324 176.870 -0.335 0.000 1.078 111 L CA 1.574 56.096 54.840 -0.529 0.000 0.749 111 L CB -0.348 40.965 42.059 -1.244 0.000 0.901 111 L HN 0.373 8.603 8.230 -0.000 0.000 0.433 112 E N 0.616 120.782 120.200 -0.056 0.000 2.110 112 E HA -0.209 4.133 4.350 -0.013 0.000 0.193 112 E C 2.055 178.753 176.600 0.162 0.000 0.988 112 E CA 1.388 57.938 56.400 0.251 0.000 0.804 112 E CB 0.066 29.926 29.700 0.266 0.000 0.745 112 E HN 0.224 8.584 8.360 -0.000 0.000 0.458 113 K N -0.370 120.073 120.400 0.073 0.000 2.026 113 K HA -0.112 4.200 4.320 -0.013 0.000 0.208 113 K C 2.093 178.777 176.600 0.139 0.000 1.048 113 K CA 1.393 57.735 56.287 0.092 0.000 0.929 113 K CB -0.222 32.298 32.500 0.034 0.000 0.713 113 K HN 0.155 8.405 8.250 -0.000 0.000 0.439 114 I N 0.894 121.506 120.570 0.070 0.000 2.500 114 I HA -0.140 4.022 4.170 -0.013 0.000 0.252 114 I C 2.202 178.372 176.117 0.089 0.000 1.142 114 I CA 0.991 62.325 61.300 0.058 0.000 1.451 114 I CB -0.018 37.985 38.000 0.005 0.000 1.093 114 I HN 0.029 8.239 8.210 -0.000 0.000 0.430 115 R N -0.306 120.274 120.500 0.133 0.000 2.092 115 R HA -0.208 4.124 4.340 -0.013 0.000 0.231 115 R C 2.361 178.779 176.300 0.196 0.000 1.119 115 R CA 1.681 57.893 56.100 0.187 0.000 0.970 115 R CB -0.572 29.930 30.300 0.337 0.000 0.864 115 R HN 0.392 8.662 8.270 -0.000 0.000 0.440 116 F N 1.349 121.344 119.950 0.074 0.000 2.146 116 F HA -0.117 4.401 4.527 -0.015 0.000 0.298 116 F C 1.790 177.610 175.800 0.033 0.000 1.096 116 F CA 1.306 59.337 58.000 0.052 0.000 1.275 116 F CB -0.189 38.839 39.000 0.048 0.000 1.008 116 F HN -0.038 8.262 8.300 -0.000 0.000 0.480 117 L N 0.044 121.266 121.223 -0.001 0.000 2.093 117 L HA -0.184 4.148 4.340 -0.013 0.000 0.208 117 L C 2.753 179.562 176.870 -0.101 0.000 1.085 117 L CA 1.357 56.136 54.840 -0.102 0.000 0.755 117 L CB -1.022 41.046 42.059 0.015 0.000 0.904 117 L HN 0.340 8.570 8.230 -0.000 0.000 0.435 118 S N 0.170 115.848 115.700 -0.036 0.000 2.442 118 S HA -0.141 4.321 4.470 -0.013 0.000 0.236 118 S C 1.862 176.433 174.600 -0.048 0.000 1.007 118 S CA 0.862 59.048 58.200 -0.025 0.000 0.965 118 S CB -0.571 62.637 63.200 0.013 0.000 0.773 118 S HN 0.403 8.713 8.310 -0.000 0.000 0.504 119 L N 1.043 122.214 121.223 -0.086 0.000 2.156 119 L HA 0.073 4.405 4.340 -0.013 0.000 0.208 119 L C 3.322 180.120 176.870 -0.119 0.000 1.095 119 L CA 1.272 56.054 54.840 -0.096 0.000 0.770 119 L CB -0.893 41.096 42.059 -0.117 0.000 0.914 119 L HN 0.532 8.762 8.230 -0.000 0.000 0.439 120 S N -0.330 115.271 115.700 -0.164 0.000 2.348 120 S HA -0.117 4.345 4.470 -0.013 0.000 0.219 120 S C 0.847 175.398 174.600 -0.082 0.000 1.033 120 S CA 1.222 59.339 58.200 -0.137 0.000 0.974 120 S CB -0.063 63.031 63.200 -0.177 0.000 0.868 120 S HN 0.411 8.721 8.310 -0.000 0.000 0.459 121 D N -1.025 119.333 120.400 -0.070 0.000 2.479 121 D HA 0.522 5.154 4.640 -0.013 0.000 0.246 121 D C 0.230 176.510 176.300 -0.032 0.000 1.336 121 D CA 0.271 54.245 54.000 -0.043 0.000 0.967 121 D CB 1.118 41.896 40.800 -0.035 0.000 1.275 121 D HN 0.097 8.467 8.370 -0.000 0.000 0.577 122 E N 2.140 122.326 120.200 -0.024 0.000 2.515 122 E HA 0.002 4.344 4.350 -0.013 0.000 0.201 122 E C 1.689 178.283 176.600 -0.010 0.000 1.071 122 E CA 1.167 57.559 56.400 -0.014 0.000 0.880 122 E CB -0.758 28.936 29.700 -0.010 0.000 0.828 122 E HN 0.644 9.004 8.360 -0.000 0.000 0.540 123 S N 0.249 115.942 115.700 -0.012 0.000 2.562 123 S HA 0.205 4.667 4.470 -0.013 0.000 0.221 123 S C 2.278 176.874 174.600 -0.006 0.000 0.975 123 S CA 1.131 59.326 58.200 -0.008 0.000 0.918 123 S CB -0.600 62.594 63.200 -0.009 0.000 0.772 123 S HN 0.893 9.203 8.310 -0.000 0.000 0.531 124 V N -1.166 118.744 119.914 -0.007 0.000 2.667 124 V HA -0.008 4.104 4.120 -0.013 0.000 0.252 124 V C 2.006 178.100 176.094 -0.001 0.000 1.065 124 V CA 0.919 63.217 62.300 -0.003 0.000 1.083 124 V CB -0.952 30.870 31.823 -0.001 0.000 0.692 124 V HN 0.547 8.737 8.190 -0.000 0.000 0.468 125 L N 1.042 122.264 121.223 -0.001 0.000 2.093 125 L HA 0.246 4.578 4.340 -0.013 0.000 0.208 125 L C 2.290 179.156 176.870 -0.006 0.000 1.085 125 L CA 1.193 56.032 54.840 -0.002 0.000 0.755 125 L CB -1.410 40.649 42.059 0.001 0.000 0.904 125 L HN 0.613 8.843 8.230 -0.000 0.000 0.435 126 G N 0.454 109.251 108.800 -0.005 0.000 2.660 126 G HA2 -0.385 3.567 3.960 -0.013 0.000 0.321 126 G HA3 -0.385 3.567 3.960 -0.013 0.000 0.321 126 G C 0.890 175.785 174.900 -0.009 0.000 1.246 126 G CA 0.632 45.729 45.100 -0.006 0.000 1.000 126 G HN 0.313 8.603 8.290 -0.000 0.000 0.550 127 E N 1.206 121.400 120.200 -0.010 0.000 2.299 127 E HA 0.052 4.394 4.350 -0.013 0.000 0.193 127 E C 1.292 177.880 176.600 -0.020 0.000 0.998 127 E CA 0.906 57.298 56.400 -0.014 0.000 0.851 127 E CB 0.147 29.838 29.700 -0.014 0.000 0.795 127 E HN 0.469 8.829 8.360 -0.000 0.000 0.492 128 E N 1.659 121.847 120.200 -0.020 0.000 2.026 128 E HA 0.046 4.388 4.350 -0.013 0.000 0.253 128 E C 0.464 177.050 176.600 -0.023 0.000 1.056 128 E CA -0.054 56.329 56.400 -0.028 0.000 0.927 128 E CB 0.126 29.808 29.700 -0.030 0.000 1.172 128 E HN -0.217 8.143 8.360 -0.000 0.000 0.445 129 K N 2.085 122.472 120.400 -0.022 0.000 2.418 129 K HA 0.056 4.369 4.320 -0.013 0.000 0.195 129 K C -0.023 176.573 176.600 -0.007 0.000 1.035 129 K CA 0.288 56.569 56.287 -0.011 0.000 1.003 129 K CB 0.164 32.658 32.500 -0.009 0.000 0.793 129 K HN 0.293 8.543 8.250 -0.000 0.000 0.494 130 K N 1.333 121.717 120.400 -0.026 0.000 2.350 130 K HA 0.184 4.496 4.320 -0.013 0.000 0.279 130 K C -0.021 176.572 176.600 -0.012 0.000 1.027 130 K CA 0.096 56.368 56.287 -0.026 0.000 0.969 130 K CB 0.657 33.110 32.500 -0.079 0.000 0.954 130 K HN -0.052 8.198 8.250 -0.000 0.000 0.474 131 L N 4.430 125.672 121.223 0.031 0.000 2.433 131 L HA 0.259 4.592 4.340 -0.013 0.000 0.256 131 L C -0.249 176.664 176.870 0.071 0.000 1.063 131 L CA -0.264 54.589 54.840 0.022 0.000 0.922 131 L CB 0.505 42.631 42.059 0.111 0.000 1.238 131 L HN 0.812 9.042 8.230 -0.000 0.000 0.466 132 E N 2.697 122.899 120.200 0.004 0.000 2.447 132 E HA 0.614 4.956 4.350 -0.013 0.000 0.279 132 E C -1.360 175.258 176.600 0.029 0.000 1.053 132 E CA -1.006 55.446 56.400 0.087 0.000 0.840 132 E CB 2.175 31.994 29.700 0.198 0.000 1.409 132 E HN 0.209 8.569 8.360 -0.000 0.000 0.461 133 I N 0.566 121.192 120.570 0.094 0.000 2.433 133 I HA 0.489 4.651 4.170 -0.013 0.000 0.292 133 I C -0.225 175.974 176.117 0.137 0.000 1.001 133 I CA -0.822 60.525 61.300 0.080 0.000 1.119 133 I CB 1.718 39.762 38.000 0.074 0.000 1.289 133 I HN 0.291 8.501 8.210 -0.000 0.000 0.438 134 R N 6.351 126.917 120.500 0.111 0.000 2.451 134 R HA 0.639 4.971 4.340 -0.013 0.000 0.307 134 R C -1.243 175.238 176.300 0.301 0.000 0.965 134 R CA -0.708 55.502 56.100 0.184 0.000 0.865 134 R CB 2.123 32.359 30.300 -0.107 0.000 1.174 134 R HN 0.551 8.821 8.270 -0.000 0.000 0.455 135 I N 2.432 123.240 120.570 0.396 0.000 2.362 135 I HA 0.279 4.441 4.170 -0.013 0.000 0.289 135 I C -0.032 176.238 176.117 0.256 0.000 0.994 135 I CA -0.235 61.226 61.300 0.270 0.000 1.158 135 I CB 1.838 39.941 38.000 0.171 0.000 1.315 135 I HN 0.593 8.803 8.210 -0.000 0.000 0.451 136 S N 4.622 120.422 115.700 0.168 0.000 2.564 136 S HA 0.938 5.400 4.470 -0.013 0.000 0.274 136 S C -0.891 173.725 174.600 0.028 0.000 1.124 136 S CA -0.829 57.394 58.200 0.039 0.000 0.869 136 S CB 2.265 65.476 63.200 0.019 0.000 1.105 136 S HN 0.723 9.033 8.310 -0.000 0.000 0.472 137 A N 1.552 124.363 122.820 -0.015 0.000 2.386 137 A HA 0.767 5.079 4.320 -0.013 0.000 0.311 137 A C -0.858 176.709 177.584 -0.029 0.000 1.068 137 A CA -0.754 51.275 52.037 -0.012 0.000 0.743 137 A CB 1.262 20.259 19.000 -0.004 0.000 1.258 137 A HN 0.774 8.924 8.150 -0.000 0.000 0.429 138 N N 1.701 120.384 118.700 -0.028 0.000 2.816 138 N HA 0.162 4.894 4.740 -0.013 0.000 0.236 138 N C 0.537 176.034 175.510 -0.022 0.000 1.076 138 N CA -0.274 52.760 53.050 -0.026 0.000 0.902 138 N CB 0.723 39.197 38.487 -0.023 0.000 1.149 138 N HN 0.686 9.066 8.380 -0.000 0.000 0.506 139 K N 1.184 121.572 120.400 -0.020 0.000 2.113 139 K HA -0.174 4.138 4.320 -0.013 0.000 0.208 139 K C 1.105 177.700 176.600 -0.008 0.000 1.047 139 K CA 1.276 57.555 56.287 -0.014 0.000 0.928 139 K CB 0.368 32.859 32.500 -0.015 0.000 0.716 139 K HN 0.567 8.817 8.250 -0.000 0.000 0.446 140 E N 0.894 121.090 120.200 -0.006 0.000 2.031 140 E HA -0.148 4.195 4.350 -0.013 0.000 0.193 140 E C 1.647 178.252 176.600 0.009 0.000 0.994 140 E CA 1.246 57.647 56.400 0.001 0.000 0.800 140 E CB 0.175 29.876 29.700 0.002 0.000 0.752 140 E HN 0.176 8.536 8.360 -0.000 0.000 0.447 141 K N 0.151 120.557 120.400 0.011 0.000 2.459 141 K HA -0.006 4.306 4.320 -0.013 0.000 0.193 141 K C 0.270 176.881 176.600 0.018 0.000 1.030 141 K CA 0.202 56.504 56.287 0.027 0.000 1.026 141 K CB 0.124 32.644 32.500 0.033 0.000 0.809 141 K HN 0.049 8.299 8.250 -0.000 0.000 0.504 142 N N 0.875 119.572 118.700 -0.004 0.000 2.758 142 N HA -0.168 4.564 4.740 -0.013 0.000 0.248 142 N C -1.366 174.108 175.510 -0.060 0.000 1.076 142 N CA 0.520 53.559 53.050 -0.018 0.000 0.696 142 N CB -1.142 37.345 38.487 -0.000 0.000 0.979 142 N HN 0.177 8.557 8.380 -0.000 0.000 0.550 143 I N 0.151 120.668 120.570 -0.088 0.000 2.441 143 I HA 0.419 4.581 4.170 -0.013 0.000 0.295 143 I C -0.176 175.884 176.117 -0.096 0.000 0.994 143 I CA -1.099 60.099 61.300 -0.170 0.000 1.144 143 I CB 1.631 39.478 38.000 -0.256 0.000 1.314 143 I HN -0.003 8.207 8.210 -0.000 0.000 0.445 144 L N 5.551 126.720 121.223 -0.090 0.000 2.325 144 L HA 0.564 4.896 4.340 -0.013 0.000 0.281 144 L C -0.654 176.219 176.870 0.006 0.000 1.004 144 L CA 0.281 55.113 54.840 -0.013 0.000 0.823 144 L CB 1.628 43.704 42.059 0.030 0.000 1.236 144 L HN 0.529 8.759 8.230 -0.000 0.000 0.415 145 S N 5.690 121.417 115.700 0.047 0.000 2.472 145 S HA 0.746 5.208 4.470 -0.013 0.000 0.303 145 S C -0.605 174.065 174.600 0.116 0.000 1.099 145 S CA -0.309 57.939 58.200 0.079 0.000 1.077 145 S CB 1.355 64.607 63.200 0.087 0.000 1.031 145 S HN 0.459 8.769 8.310 -0.000 0.000 0.487 146 I N 2.624 123.265 120.570 0.117 0.000 2.466 146 I HA 0.287 4.449 4.170 -0.013 0.000 0.279 146 I C -0.114 176.069 176.117 0.111 0.000 1.033 146 I CA -0.022 61.349 61.300 0.118 0.000 1.123 146 I CB 1.421 39.483 38.000 0.105 0.000 1.237 146 I HN 0.470 8.680 8.210 -0.000 0.000 0.460 147 T N 3.889 118.507 114.554 0.107 0.000 2.895 147 T HA 0.673 5.015 4.350 -0.013 0.000 0.283 147 T C -0.677 174.047 174.700 0.040 0.000 1.014 147 T CA -0.702 61.443 62.100 0.075 0.000 1.037 147 T CB 1.462 70.368 68.868 0.063 0.000 1.006 147 T HN 0.652 8.892 8.240 -0.000 0.000 0.468 148 D N -1.014 119.394 120.400 0.014 0.000 2.645 148 D HA 0.425 5.058 4.640 -0.013 0.000 0.228 148 D C -0.032 176.241 176.300 -0.044 0.000 1.148 148 D CA -0.911 53.074 54.000 -0.025 0.000 0.860 148 D CB 1.057 41.833 40.800 -0.040 0.000 1.548 148 D HN 0.416 8.786 8.370 -0.000 0.000 0.460 149 T N -0.909 113.601 114.554 -0.073 0.000 3.285 149 T HA 0.528 4.870 4.350 -0.013 0.000 0.232 149 T C 0.771 175.418 174.700 -0.089 0.000 0.973 149 T CA -0.621 61.437 62.100 -0.071 0.000 1.023 149 T CB -0.299 68.526 68.868 -0.072 0.000 1.158 149 T HN 0.537 8.777 8.240 -0.000 0.000 0.590 150 G N 0.666 109.412 108.800 -0.089 0.000 2.510 150 G HA2 0.495 4.447 3.960 -0.013 0.000 0.280 150 G HA3 0.495 4.447 3.960 -0.013 0.000 0.280 150 G C 0.807 175.674 174.900 -0.054 0.000 1.386 150 G CA -0.852 44.186 45.100 -0.103 0.000 1.047 150 G HN 0.421 8.711 8.290 -0.000 0.000 0.527 151 I N -0.189 120.356 120.570 -0.042 0.000 2.264 151 I HA 0.129 4.291 4.170 -0.013 0.000 0.248 151 I C 1.456 177.568 176.117 -0.008 0.000 1.111 151 I CA 1.976 63.266 61.300 -0.016 0.000 1.382 151 I CB -0.412 37.585 38.000 -0.005 0.000 1.060 151 I HN 1.035 9.245 8.210 -0.000 0.000 0.418 152 G N 0.383 109.178 108.800 -0.008 0.000 2.828 152 G HA2 -0.246 3.706 3.960 -0.013 0.000 0.463 152 G HA3 -0.246 3.706 3.960 -0.013 0.000 0.463 152 G C -0.492 174.405 174.900 -0.005 0.000 1.394 152 G CA -0.124 44.980 45.100 0.006 0.000 0.862 152 G HN 0.275 8.565 8.290 -0.000 0.000 0.540 153 M N 0.785 120.384 119.600 -0.002 0.000 2.464 153 M HA 0.530 5.002 4.480 -0.013 0.000 0.308 153 M C 0.647 176.918 176.300 -0.048 0.000 1.127 153 M CA -0.450 54.824 55.300 -0.042 0.000 0.913 153 M CB 2.647 35.200 32.600 -0.078 0.000 1.689 153 M HN 1.051 9.341 8.290 -0.000 0.000 0.445 154 T N -2.018 112.482 114.554 -0.091 0.000 2.902 154 T HA 0.347 4.689 4.350 -0.013 0.000 0.280 154 T C 0.843 175.377 174.700 -0.277 0.000 0.992 154 T CA -0.826 61.197 62.100 -0.129 0.000 1.015 154 T CB 1.736 70.551 68.868 -0.089 0.000 1.044 154 T HN 0.795 9.035 8.240 -0.000 0.000 0.520 155 K N 0.308 120.426 120.400 -0.471 0.000 2.103 155 K HA -0.102 4.211 4.320 -0.013 0.000 0.207 155 K C 1.972 178.370 176.600 -0.336 0.000 1.048 155 K CA 1.260 57.181 56.287 -0.610 0.000 0.930 155 K CB -0.456 31.579 32.500 -0.775 0.000 0.716 155 K HN 0.507 8.757 8.250 -0.000 0.000 0.444 156 V N 1.620 121.396 119.914 -0.230 0.000 2.307 156 V HA -0.243 3.869 4.120 -0.013 0.000 0.245 156 V C 1.708 177.704 176.094 -0.163 0.000 1.045 156 V CA 2.057 64.262 62.300 -0.158 0.000 1.024 156 V CB -0.422 31.337 31.823 -0.106 0.000 0.651 156 V HN 0.361 8.551 8.190 -0.000 0.000 0.449 157 D N -0.315 119.987 120.400 -0.163 0.000 2.123 157 D HA -0.147 4.485 4.640 -0.013 0.000 0.196 157 D C 1.903 178.070 176.300 -0.222 0.000 0.992 157 D CA 1.085 54.990 54.000 -0.158 0.000 0.833 157 D CB -0.254 40.468 40.800 -0.131 0.000 0.954 157 D HN 0.264 8.634 8.370 -0.000 0.000 0.455 158 L N 0.472 121.520 121.223 -0.293 0.000 2.027 158 L HA -0.030 4.303 4.340 -0.013 0.000 0.206 158 L C 2.175 178.774 176.870 -0.452 0.000 1.074 158 L CA 1.237 55.815 54.840 -0.436 0.000 0.745 158 L CB -0.537 41.236 42.059 -0.476 0.000 0.898 158 L HN 0.000 8.230 8.230 -0.000 0.000 0.433 159 I N -0.266 120.107 120.570 -0.329 0.000 2.202 159 I HA -0.287 3.875 4.170 -0.013 0.000 0.242 159 I C 2.654 178.657 176.117 -0.190 0.000 1.091 159 I CA 1.457 62.609 61.300 -0.246 0.000 1.368 159 I CB -0.889 37.013 38.000 -0.163 0.000 1.058 159 I HN 0.487 8.697 8.210 -0.000 0.000 0.410 160 N N 0.884 119.488 118.700 -0.159 0.000 2.084 160 N HA -0.263 4.469 4.740 -0.013 0.000 0.190 160 N C 1.774 177.218 175.510 -0.111 0.000 1.030 160 N CA 2.126 55.109 53.050 -0.111 0.000 0.849 160 N CB -1.908 36.523 38.487 -0.092 0.000 1.012 160 N HN 0.577 8.957 8.380 -0.000 0.000 0.423 161 N N 0.627 119.234 118.700 -0.154 0.000 2.120 161 N HA 0.051 4.783 4.740 -0.013 0.000 0.188 161 N C 2.056 177.492 175.510 -0.122 0.000 1.024 161 N CA 1.403 54.371 53.050 -0.137 0.000 0.852 161 N CB -0.531 37.851 38.487 -0.176 0.000 1.003 161 N HN 0.555 8.935 8.380 -0.000 0.000 0.424 162 L N 0.010 121.098 121.223 -0.225 0.000 2.201 162 L HA 0.027 4.359 4.340 -0.013 0.000 0.212 162 L C 2.992 179.870 176.870 0.013 0.000 1.105 162 L CA 1.022 55.762 54.840 -0.167 0.000 0.775 162 L CB -0.458 41.249 42.059 -0.587 0.000 0.913 162 L HN 0.545 8.775 8.230 -0.000 0.000 0.440 163 G N -0.224 108.556 108.800 -0.035 0.000 2.403 163 G HA2 -0.225 3.727 3.960 -0.013 0.000 0.216 163 G HA3 -0.225 3.727 3.960 -0.013 0.000 0.216 163 G C 1.713 176.636 174.900 0.039 0.000 1.154 163 G CA 1.098 46.210 45.100 0.020 0.000 0.784 163 G HN 0.434 8.724 8.290 -0.000 0.000 0.538 164 T N -0.302 114.261 114.554 0.015 0.000 2.857 164 T HA 0.050 4.392 4.350 -0.013 0.000 0.266 164 T C 2.378 177.097 174.700 0.033 0.000 1.048 164 T CA 0.834 62.942 62.100 0.013 0.000 1.139 164 T CB -0.217 68.647 68.868 -0.007 0.000 0.874 164 T HN 0.208 8.448 8.240 -0.000 0.000 0.455 165 I N 2.024 122.634 120.570 0.067 0.000 2.179 165 I HA -0.120 4.042 4.170 -0.013 0.000 0.242 165 I C 3.210 179.349 176.117 0.036 0.000 1.088 165 I CA 1.285 62.628 61.300 0.071 0.000 1.357 165 I CB -0.596 37.498 38.000 0.158 0.000 1.051 165 I HN 0.342 8.552 8.210 -0.000 0.000 0.409 166 A N 1.373 124.261 122.820 0.114 0.000 1.908 166 A HA -0.241 4.071 4.320 -0.013 0.000 0.218 166 A C 2.142 179.753 177.584 0.044 0.000 1.181 166 A CA 2.165 54.264 52.037 0.103 0.000 0.627 166 A CB -0.523 18.615 19.000 0.231 0.000 0.818 166 A HN 0.590 8.740 8.150 -0.000 0.000 0.445 167 K N -1.341 119.085 120.400 0.043 0.000 2.397 167 K HA 0.348 4.660 4.320 -0.013 0.000 0.202 167 K C 0.952 177.562 176.600 0.017 0.000 1.022 167 K CA 0.706 57.009 56.287 0.027 0.000 1.141 167 K CB 0.358 32.876 32.500 0.029 0.000 0.857 167 K HN 0.158 8.408 8.250 -0.000 0.000 0.514 168 S N 0.766 116.472 115.700 0.010 0.000 2.470 168 S HA 0.118 4.580 4.470 -0.013 0.000 0.222 168 S C 1.105 175.728 174.600 0.037 0.000 1.024 168 S CA 0.590 58.794 58.200 0.006 0.000 0.931 168 S CB 0.169 63.355 63.200 -0.024 0.000 0.791 168 S HN 0.706 9.016 8.310 -0.000 0.000 0.513 169 G N 1.716 110.531 108.800 0.025 0.000 2.246 169 G HA2 -0.276 3.676 3.960 -0.013 0.000 0.273 169 G HA3 -0.276 3.676 3.960 -0.013 0.000 0.273 169 G C 0.577 175.556 174.900 0.132 0.000 1.055 169 G CA 0.721 45.847 45.100 0.044 0.000 0.851 169 G HN 0.446 8.736 8.290 -0.000 0.000 0.500 170 T N 0.702 115.300 114.554 0.073 0.000 2.833 170 T HA -0.127 4.216 4.350 -0.013 0.000 0.269 170 T C 2.807 177.596 174.700 0.148 0.000 1.054 170 T CA 2.193 64.333 62.100 0.066 0.000 1.135 170 T CB -0.294 68.537 68.868 -0.061 0.000 0.869 170 T HN 1.251 9.491 8.240 -0.000 0.000 0.466 171 S N 2.739 118.477 115.700 0.064 0.000 2.387 171 S HA -0.228 4.234 4.470 -0.013 0.000 0.230 171 S C 1.950 176.583 174.600 0.055 0.000 1.035 171 S CA 1.193 59.418 58.200 0.041 0.000 1.014 171 S CB -0.581 62.603 63.200 -0.026 0.000 0.836 171 S HN 0.398 8.708 8.310 -0.000 0.000 0.466 172 N N 1.581 120.300 118.700 0.032 0.000 2.084 172 N HA 0.009 4.741 4.740 -0.013 0.000 0.190 172 N C 1.389 176.854 175.510 -0.075 0.000 1.030 172 N CA 1.485 54.499 53.050 -0.060 0.000 0.849 172 N CB -0.846 37.550 38.487 -0.151 0.000 1.012 172 N HN 0.505 8.885 8.380 -0.000 0.000 0.423 173 F N 1.468 121.396 119.950 -0.037 0.000 2.095 173 F HA -0.061 4.458 4.527 -0.012 0.000 0.298 173 F C 2.324 178.183 175.800 0.098 0.000 1.104 173 F CA 0.826 58.830 58.000 0.007 0.000 1.232 173 F CB -0.589 38.347 39.000 -0.106 0.000 0.987 173 F HN -0.032 8.268 8.300 -0.000 0.000 0.475 174 L N -0.387 121.019 121.223 0.305 0.000 2.046 174 L HA -0.213 4.120 4.340 -0.013 0.000 0.208 174 L C 2.453 179.398 176.870 0.126 0.000 1.077 174 L CA 1.690 56.663 54.840 0.222 0.000 0.747 174 L CB -0.863 41.311 42.059 0.191 0.000 0.896 174 L HN 0.214 8.444 8.230 -0.000 0.000 0.432 175 E N 0.644 120.892 120.200 0.080 0.000 2.038 175 E HA -0.275 4.067 4.350 -0.013 0.000 0.195 175 E C 2.234 178.855 176.600 0.034 0.000 1.000 175 E CA 1.481 57.905 56.400 0.040 0.000 0.803 175 E CB -0.015 29.691 29.700 0.009 0.000 0.750 175 E HN 0.447 8.807 8.360 -0.000 0.000 0.448 176 A N 0.842 123.676 122.820 0.024 0.000 1.908 176 A HA -0.184 4.128 4.320 -0.013 0.000 0.218 176 A C 2.168 179.782 177.584 0.049 0.000 1.181 176 A CA 1.477 53.522 52.037 0.014 0.000 0.627 176 A CB -0.647 18.338 19.000 -0.024 0.000 0.818 176 A HN 0.339 8.489 8.150 -0.000 0.000 0.445 177 I N -1.039 119.586 120.570 0.092 0.000 2.179 177 I HA -0.227 3.935 4.170 -0.013 0.000 0.242 177 I C 2.847 179.002 176.117 0.062 0.000 1.088 177 I CA 1.578 62.934 61.300 0.094 0.000 1.357 177 I CB -0.265 37.816 38.000 0.135 0.000 1.051 177 I HN 0.338 8.548 8.210 -0.000 0.000 0.409 178 S N 0.340 116.077 115.700 0.061 0.000 2.356 178 S HA -0.189 4.273 4.470 -0.013 0.000 0.223 178 S C 1.999 176.621 174.600 0.037 0.000 1.032 178 S CA 1.441 59.669 58.200 0.048 0.000 1.005 178 S CB -0.101 63.130 63.200 0.052 0.000 0.867 178 S HN 0.294 8.604 8.310 -0.000 0.000 0.449 179 K N 0.586 121.006 120.400 0.032 0.000 2.280 179 K HA 0.057 4.369 4.320 -0.013 0.000 0.202 179 K C 1.690 178.302 176.600 0.021 0.000 1.047 179 K CA 1.222 57.522 56.287 0.022 0.000 0.942 179 K CB -0.074 32.435 32.500 0.014 0.000 0.739 179 K HN 0.219 8.469 8.250 -0.000 0.000 0.457 180 S N -0.616 115.099 115.700 0.025 0.000 2.575 180 S HA 0.109 4.571 4.470 -0.013 0.000 0.215 180 S C 1.016 175.629 174.600 0.021 0.000 0.966 180 S CA 0.469 58.682 58.200 0.022 0.000 0.911 180 S CB 0.889 64.105 63.200 0.027 0.000 0.780 180 S HN 0.564 8.874 8.310 -0.000 0.000 0.514 181 G N 1.453 110.267 108.800 0.022 0.000 2.143 181 G HA2 -0.180 3.772 3.960 -0.013 0.000 0.249 181 G HA3 -0.180 3.772 3.960 -0.013 0.000 0.249 181 G C 0.343 175.252 174.900 0.016 0.000 0.981 181 G CA -0.211 44.900 45.100 0.018 0.000 0.665 181 G HN 0.795 9.085 8.290 -0.000 0.000 0.528 182 G N -0.081 108.733 108.800 0.023 0.000 2.599 182 G HA2 0.547 4.499 3.960 -0.013 0.000 0.264 182 G HA3 0.547 4.499 3.960 -0.013 0.000 0.264 182 G C 0.160 175.068 174.900 0.013 0.000 1.200 182 G CA 0.462 45.574 45.100 0.020 0.000 0.896 182 G HN 0.696 8.986 8.290 -0.000 0.000 0.536 183 D N -0.844 119.557 120.400 0.001 0.000 2.387 183 D HA 0.254 4.886 4.640 -0.013 0.000 0.255 183 D C 0.856 177.148 176.300 -0.014 0.000 1.081 183 D CA -0.960 53.033 54.000 -0.010 0.000 0.994 183 D CB 0.860 41.647 40.800 -0.023 0.000 1.127 183 D HN 0.089 8.459 8.370 -0.000 0.000 0.513 184 M N 0.760 120.350 119.600 -0.017 0.000 2.571 184 M HA 0.017 4.489 4.480 -0.013 0.000 0.235 184 M C 1.248 177.510 176.300 -0.064 0.000 1.216 184 M CA 0.076 55.364 55.300 -0.020 0.000 0.979 184 M CB -0.819 31.787 32.600 0.010 0.000 1.616 184 M HN 0.585 8.875 8.290 -0.000 0.000 0.469 185 S N -0.682 114.968 115.700 -0.084 0.000 2.507 185 S HA -0.032 4.430 4.470 -0.013 0.000 0.235 185 S C 1.530 176.023 174.600 -0.178 0.000 0.988 185 S CA 0.645 58.780 58.200 -0.108 0.000 0.944 185 S CB -0.339 62.809 63.200 -0.086 0.000 0.762 185 S HN 0.591 8.901 8.310 -0.000 0.000 0.526 186 L N 1.236 122.290 121.223 -0.283 0.000 2.607 186 L HA 0.343 4.676 4.340 -0.013 0.000 0.228 186 L C 2.138 178.654 176.870 -0.589 0.000 1.123 186 L CA 0.060 54.563 54.840 -0.562 0.000 0.890 186 L CB -0.405 41.080 42.059 -0.957 0.000 1.103 186 L HN 0.405 8.635 8.230 -0.000 0.000 0.468 187 I N -2.492 117.932 120.570 -0.244 0.000 2.248 187 I HA -0.137 4.025 4.170 -0.013 0.000 0.248 187 I C 2.283 178.405 176.117 0.009 0.000 1.107 187 I CA 1.785 63.064 61.300 -0.035 0.000 1.373 187 I CB -0.945 37.088 38.000 0.054 0.000 1.055 187 I HN 0.091 8.301 8.210 -0.000 0.000 0.418 188 G N 0.316 109.086 108.800 -0.049 0.000 2.434 188 G HA2 -0.214 3.738 3.960 -0.013 0.000 0.214 188 G HA3 -0.214 3.738 3.960 -0.013 0.000 0.214 188 G C 1.609 176.505 174.900 -0.006 0.000 1.202 188 G CA 0.761 45.851 45.100 -0.016 0.000 0.788 188 G HN 0.523 8.813 8.290 -0.000 0.000 0.539 189 Q N -0.757 118.997 119.800 -0.076 0.000 2.135 189 Q HA -0.093 4.239 4.340 -0.013 0.000 0.204 189 Q C 2.301 178.370 176.000 0.115 0.000 0.981 189 Q CA 1.040 56.821 55.803 -0.036 0.000 0.856 189 Q CB -0.206 28.455 28.738 -0.128 0.000 0.902 189 Q HN 0.477 8.747 8.270 -0.000 0.000 0.425 190 F N -0.796 119.132 119.950 -0.036 0.000 2.502 190 F HA 0.116 4.636 4.527 -0.012 0.000 0.298 190 F C 1.677 177.469 175.800 -0.014 0.000 1.111 190 F CA 1.069 59.033 58.000 -0.059 0.000 1.445 190 F CB -0.418 38.541 39.000 -0.069 0.000 1.081 190 F HN 0.181 8.481 8.300 -0.000 0.000 0.558 191 G N 0.317 109.239 108.800 0.202 0.000 2.171 191 G HA2 -0.195 3.757 3.960 -0.013 0.000 0.238 191 G HA3 -0.195 3.757 3.960 -0.013 0.000 0.238 191 G C 0.574 175.611 174.900 0.229 0.000 1.039 191 G CA 0.436 45.632 45.100 0.160 0.000 0.759 191 G HN 0.609 8.899 8.290 -0.000 0.000 0.501 192 V N -3.168 116.914 119.914 0.280 0.000 3.330 192 V HA 0.632 4.744 4.120 -0.013 0.000 0.309 192 V C 2.092 178.430 176.094 0.406 0.000 1.481 192 V CA 1.226 63.779 62.300 0.421 0.000 1.068 192 V CB 0.079 32.113 31.823 0.351 0.000 0.935 192 V HN 0.891 9.081 8.190 -0.000 0.000 0.453 193 G N 0.882 109.832 108.800 0.249 0.000 2.475 193 G HA2 -0.320 3.632 3.960 -0.013 0.000 0.220 193 G HA3 -0.320 3.632 3.960 -0.013 0.000 0.220 193 G C 1.225 176.224 174.900 0.164 0.000 1.125 193 G CA 1.387 46.586 45.100 0.166 0.000 0.755 193 G HN 0.608 8.898 8.290 -0.000 0.000 0.565 194 F N 0.874 120.831 119.950 0.012 0.000 2.126 194 F HA -0.133 4.386 4.527 -0.014 0.000 0.299 194 F C 2.262 177.981 175.800 -0.136 0.000 1.096 194 F CA 1.213 59.141 58.000 -0.121 0.000 1.255 194 F CB -0.221 38.633 39.000 -0.244 0.000 0.997 194 F HN 0.219 8.519 8.300 -0.000 0.000 0.479 195 Y N 0.561 120.970 120.300 0.181 0.000 2.569 195 Y HA -0.137 4.405 4.550 -0.013 0.000 0.293 195 Y C 2.775 178.751 175.900 0.127 0.000 1.144 195 Y CA 0.930 59.150 58.100 0.200 0.000 1.321 195 Y CB -1.267 37.346 38.460 0.254 0.000 0.982 195 Y HN 0.231 8.511 8.280 -0.000 0.000 0.558 196 S N -0.511 115.263 115.700 0.123 0.000 2.474 196 S HA -0.140 4.322 4.470 -0.013 0.000 0.235 196 S C 2.194 176.788 174.600 -0.011 0.000 0.997 196 S CA 0.556 58.812 58.200 0.094 0.000 0.949 196 S CB -0.520 62.737 63.200 0.095 0.000 0.766 196 S HN 0.379 8.689 8.310 -0.000 0.000 0.517 197 A N 0.949 123.619 122.820 -0.251 0.000 2.070 197 A HA 0.150 4.462 4.320 -0.013 0.000 0.220 197 A C 1.510 178.704 177.584 -0.650 0.000 1.159 197 A CA 0.840 52.551 52.037 -0.544 0.000 0.656 197 A CB -0.991 17.479 19.000 -0.884 0.000 0.800 197 A HN 0.612 8.762 8.150 -0.000 0.000 0.453 198 F N -0.592 119.251 119.950 -0.179 0.000 2.804 198 F HA 0.183 4.703 4.527 -0.013 0.000 0.303 198 F C 1.550 177.303 175.800 -0.078 0.000 1.154 198 F CA 0.137 58.072 58.000 -0.109 0.000 1.401 198 F CB -0.147 38.834 39.000 -0.033 0.000 1.106 198 F HN 0.118 8.418 8.300 -0.000 0.000 0.568 199 L N -0.634 120.584 121.223 -0.008 0.000 2.209 199 L HA -0.066 4.267 4.340 -0.013 0.000 0.207 199 L C 2.083 178.906 176.870 -0.077 0.000 1.094 199 L CA 0.769 55.613 54.840 0.007 0.000 0.790 199 L CB -0.067 42.015 42.059 0.038 0.000 0.932 199 L HN 0.199 8.429 8.230 -0.000 0.000 0.447 200 V N -5.258 114.503 119.914 -0.256 0.000 3.612 200 V HA 0.516 4.628 4.120 -0.013 0.000 0.268 200 V C 0.635 176.559 176.094 -0.283 0.000 1.365 200 V CA 0.069 62.182 62.300 -0.312 0.000 1.044 200 V CB 0.090 31.574 31.823 -0.565 0.000 0.820 200 V HN 0.071 8.261 8.190 -0.000 0.000 0.444 201 A N 0.120 122.750 122.820 -0.317 0.000 2.356 201 A HA 0.724 5.036 4.320 -0.013 0.000 0.323 201 A C 0.210 177.764 177.584 -0.050 0.000 1.119 201 A CA -0.067 51.825 52.037 -0.242 0.000 0.790 201 A CB 1.466 20.221 19.000 -0.410 0.000 1.273 201 A HN 0.161 8.311 8.150 -0.000 0.000 0.452 202 D N -0.145 120.283 120.400 0.048 0.000 2.324 202 D HA 0.110 4.742 4.640 -0.013 0.000 0.212 202 D C 0.206 176.660 176.300 0.258 0.000 0.984 202 D CA 1.089 55.188 54.000 0.165 0.000 0.885 202 D CB 0.520 41.377 40.800 0.095 0.000 0.996 202 D HN 0.539 8.909 8.370 -0.000 0.000 0.505 203 K N 0.593 121.099 120.400 0.176 0.000 2.427 203 K HA 0.468 4.781 4.320 -0.013 0.000 0.252 203 K C -1.654 175.001 176.600 0.092 0.000 0.931 203 K CA -0.522 55.872 56.287 0.180 0.000 0.793 203 K CB 2.662 35.185 32.500 0.038 0.000 1.211 203 K HN -0.340 7.910 8.250 -0.000 0.000 0.426 204 V N 5.749 125.691 119.914 0.048 0.000 2.443 204 V HA 0.422 4.534 4.120 -0.013 0.000 0.293 204 V C -0.557 175.499 176.094 -0.063 0.000 1.021 204 V CA -0.702 61.535 62.300 -0.105 0.000 0.848 204 V CB 1.347 32.923 31.823 -0.412 0.000 0.998 204 V HN 0.683 8.873 8.190 -0.000 0.000 0.424 205 I N 5.330 125.889 120.570 -0.017 0.000 2.328 205 I HA 0.407 4.569 4.170 -0.013 0.000 0.287 205 I C -0.381 175.563 176.117 -0.289 0.000 1.012 205 I CA -0.697 60.501 61.300 -0.170 0.000 1.195 205 I CB 1.789 39.721 38.000 -0.114 0.000 1.350 205 I HN 0.260 8.470 8.210 -0.000 0.000 0.464 206 V N 7.447 127.168 119.914 -0.321 0.000 2.383 206 V HA 0.273 4.385 4.120 -0.013 0.000 0.275 206 V C -0.665 175.283 176.094 -0.244 0.000 1.036 206 V CA -0.435 61.768 62.300 -0.161 0.000 0.889 206 V CB 0.846 32.654 31.823 -0.024 0.000 0.985 206 V HN 0.393 8.583 8.190 -0.000 0.000 0.459 207 Y N 2.738 123.080 120.300 0.070 0.000 2.331 207 Y HA 0.632 5.174 4.550 -0.014 0.000 0.338 207 Y C 0.517 176.458 175.900 0.068 0.000 0.992 207 Y CA -0.397 57.737 58.100 0.056 0.000 1.121 207 Y CB 2.062 40.547 38.460 0.041 0.000 1.184 207 Y HN 0.557 8.837 8.280 -0.000 0.000 0.469 208 T N 3.121 117.794 114.554 0.198 0.000 2.916 208 T HA 0.615 4.957 4.350 -0.013 0.000 0.305 208 T C -1.782 173.000 174.700 0.136 0.000 1.119 208 T CA -0.875 61.311 62.100 0.143 0.000 1.008 208 T CB 1.077 70.010 68.868 0.109 0.000 1.129 208 T HN 0.512 8.752 8.240 -0.000 0.000 0.480 209 K N 3.498 123.955 120.400 0.095 0.000 2.652 209 K HA 0.436 4.748 4.320 -0.013 0.000 0.249 209 K C -1.303 175.329 176.600 0.054 0.000 0.986 209 K CA -0.636 55.701 56.287 0.083 0.000 0.867 209 K CB 0.938 33.476 32.500 0.063 0.000 1.201 209 K HN 0.568 8.818 8.250 -0.000 0.000 0.450 210 N N 3.499 122.232 118.700 0.055 0.000 2.361 210 N HA 0.200 4.932 4.740 -0.013 0.000 0.302 210 N C -0.024 175.506 175.510 0.033 0.000 1.074 210 N CA -0.344 52.725 53.050 0.031 0.000 0.850 210 N CB 1.196 39.693 38.487 0.017 0.000 1.228 210 N HN 0.551 8.931 8.380 -0.000 0.000 0.491 211 N N 1.858 120.571 118.700 0.021 0.000 2.091 211 N HA -0.180 4.552 4.740 -0.013 0.000 0.193 211 N C 0.074 175.598 175.510 0.023 0.000 1.021 211 N CA 1.492 54.554 53.050 0.019 0.000 0.862 211 N CB -0.115 38.379 38.487 0.011 0.000 1.018 211 N HN 0.628 9.008 8.380 -0.000 0.000 0.429 212 D N 0.110 120.523 120.400 0.021 0.000 2.352 212 D HA 0.050 4.682 4.640 -0.013 0.000 0.232 212 D C -0.010 176.311 176.300 0.035 0.000 1.055 212 D CA 0.624 54.637 54.000 0.021 0.000 0.891 212 D CB 0.123 40.929 40.800 0.010 0.000 0.897 212 D HN 0.239 8.609 8.370 -0.000 0.000 0.529 213 D N -0.738 119.696 120.400 0.058 0.000 2.779 213 D HA 0.159 4.791 4.640 -0.013 0.000 0.331 213 D C -0.588 175.791 176.300 0.132 0.000 1.331 213 D CA -0.507 53.557 54.000 0.107 0.000 0.866 213 D CB 1.168 42.039 40.800 0.119 0.000 1.409 213 D HN -0.235 8.135 8.370 -0.000 0.000 0.486 214 E N -0.050 120.270 120.200 0.200 0.000 2.385 214 E HA 0.233 4.575 4.350 -0.013 0.000 0.254 214 E C -0.342 176.325 176.600 0.112 0.000 1.228 214 E CA -0.469 55.983 56.400 0.086 0.000 0.956 214 E CB 0.802 30.471 29.700 -0.051 0.000 1.116 214 E HN 0.205 8.565 8.360 -0.000 0.000 0.507 215 Q N 1.021 120.808 119.800 -0.022 0.000 2.288 215 Q HA 0.165 4.498 4.340 -0.013 0.000 0.258 215 Q C -1.678 174.257 176.000 -0.109 0.000 0.957 215 Q CA -0.002 55.815 55.803 0.023 0.000 0.919 215 Q CB 0.396 29.147 28.738 0.021 0.000 1.185 215 Q HN 0.359 8.629 8.270 -0.000 0.000 0.408 216 Y N 2.679 122.992 120.300 0.023 0.000 2.549 216 Y HA 0.540 5.082 4.550 -0.013 0.000 0.339 216 Y C -0.285 175.572 175.900 -0.070 0.000 1.053 216 Y CA -0.895 57.192 58.100 -0.022 0.000 1.105 216 Y CB 1.587 40.034 38.460 -0.022 0.000 1.258 216 Y HN 0.501 8.781 8.280 -0.000 0.000 0.478 217 I N 1.266 121.772 120.570 -0.106 0.000 2.433 217 I HA 0.180 4.342 4.170 -0.013 0.000 0.292 217 I C -1.477 174.527 176.117 -0.188 0.000 1.001 217 I CA -0.574 60.519 61.300 -0.346 0.000 1.119 217 I CB 1.517 39.051 38.000 -0.775 0.000 1.289 217 I HN 0.581 8.791 8.210 -0.000 0.000 0.438 218 W N 7.859 129.006 121.300 -0.255 0.000 2.466 218 W HA 0.455 5.107 4.660 -0.014 0.000 0.303 218 W C -0.488 176.015 176.519 -0.027 0.000 0.999 218 W CA -0.868 56.416 57.345 -0.101 0.000 1.437 218 W CB 0.805 30.197 29.460 -0.113 0.000 1.274 218 W HN 0.425 8.605 8.180 -0.000 0.000 0.417 219 E N 2.599 122.802 120.200 0.006 0.000 2.349 219 E HA 0.564 4.906 4.350 -0.013 0.000 0.265 219 E C -0.633 175.960 176.600 -0.011 0.000 1.064 219 E CA 0.108 56.495 56.400 -0.021 0.000 0.886 219 E CB 1.034 30.824 29.700 0.150 0.000 1.036 219 E HN 0.234 8.594 8.360 -0.000 0.000 0.413 220 S N 1.335 117.059 115.700 0.039 0.000 2.649 220 S HA 0.300 4.762 4.470 -0.013 0.000 0.274 220 S C -1.198 173.593 174.600 0.319 0.000 1.176 220 S CA -0.794 57.539 58.200 0.222 0.000 0.988 220 S CB 1.789 65.128 63.200 0.232 0.000 1.071 220 S HN 0.522 8.832 8.310 -0.000 0.000 0.478 221 T N 1.909 116.586 114.554 0.205 0.000 2.943 221 T HA 0.540 4.882 4.350 -0.013 0.000 0.284 221 T C 1.460 176.086 174.700 -0.123 0.000 1.015 221 T CA -0.424 61.753 62.100 0.130 0.000 1.042 221 T CB 1.507 70.431 68.868 0.093 0.000 1.055 221 T HN 0.627 8.867 8.240 -0.000 0.000 0.500 222 A N 0.882 123.653 122.820 -0.082 0.000 2.125 222 A HA -0.042 4.270 4.320 -0.013 0.000 0.219 222 A C 1.329 178.804 177.584 -0.182 0.000 1.156 222 A CA 1.338 53.240 52.037 -0.225 0.000 0.671 222 A CB -0.765 18.249 19.000 0.023 0.000 0.794 222 A HN 0.898 9.048 8.150 -0.000 0.000 0.459 223 D N -2.157 118.190 120.400 -0.089 0.000 2.460 223 D HA 0.458 5.090 4.640 -0.013 0.000 0.229 223 D C 0.686 176.971 176.300 -0.025 0.000 1.170 223 D CA 0.424 54.397 54.000 -0.045 0.000 0.827 223 D CB -0.272 40.525 40.800 -0.005 0.000 0.973 223 D HN 0.654 9.024 8.370 -0.000 0.000 0.496 224 A N -1.618 121.165 122.820 -0.062 0.000 2.829 224 A HA -0.170 4.142 4.320 -0.013 0.000 0.267 224 A C 1.055 178.783 177.584 0.240 0.000 1.370 224 A CA 1.501 53.564 52.037 0.042 0.000 0.900 224 A CB -2.493 16.500 19.000 -0.012 0.000 1.044 224 A HN 0.822 8.972 8.150 -0.000 0.000 0.691 225 K N -0.330 120.177 120.400 0.179 0.000 2.234 225 K HA 0.680 4.993 4.320 -0.013 0.000 0.282 225 K C -0.427 176.364 176.600 0.318 0.000 1.039 225 K CA 0.250 56.655 56.287 0.198 0.000 0.928 225 K CB 0.238 32.795 32.500 0.097 0.000 1.039 225 K HN 1.663 9.913 8.250 -0.000 0.000 0.470 226 F N -1.023 119.052 119.950 0.207 0.000 2.640 226 F HA 0.873 5.393 4.527 -0.012 0.000 0.324 226 F C -0.305 175.624 175.800 0.215 0.000 1.077 226 F CA -0.793 57.359 58.000 0.253 0.000 0.965 226 F CB 1.860 41.113 39.000 0.421 0.000 1.351 226 F HN 0.378 8.678 8.300 -0.000 0.000 0.487 227 T N 2.268 117.149 114.554 0.545 0.000 2.933 227 T HA 0.621 4.963 4.350 -0.013 0.000 0.305 227 T C -1.141 173.937 174.700 0.629 0.000 1.092 227 T CA -0.487 61.859 62.100 0.410 0.000 1.008 227 T CB 1.850 70.938 68.868 0.366 0.000 1.102 227 T HN 0.652 8.892 8.240 -0.000 0.000 0.469 228 I N 3.354 124.218 120.570 0.490 0.000 2.499 228 I HA 0.609 4.771 4.170 -0.013 0.000 0.288 228 I C -1.302 175.072 176.117 0.429 0.000 1.048 228 I CA -0.990 60.540 61.300 0.383 0.000 1.062 228 I CB 1.508 39.648 38.000 0.233 0.000 1.238 228 I HN 0.812 9.022 8.210 -0.000 0.000 0.426 229 Y N 3.224 123.700 120.300 0.293 0.000 2.624 229 Y HA 0.704 5.247 4.550 -0.012 0.000 0.334 229 Y C -0.417 175.601 175.900 0.197 0.000 1.155 229 Y CA -1.444 56.805 58.100 0.248 0.000 1.046 229 Y CB 0.424 38.965 38.460 0.135 0.000 1.316 229 Y HN 0.427 8.707 8.280 -0.000 0.000 0.457 230 K N 0.984 121.440 120.400 0.093 0.000 2.382 230 K HA 0.194 4.506 4.320 -0.013 0.000 0.275 230 K C -0.599 175.964 176.600 -0.061 0.000 1.009 230 K CA 0.157 56.213 56.287 -0.385 0.000 0.970 230 K CB 0.135 32.417 32.500 -0.362 0.000 0.934 230 K HN 0.779 9.029 8.250 -0.000 0.000 0.479 231 D N 2.874 123.196 120.400 -0.130 0.000 2.371 231 D HA 0.164 4.796 4.640 -0.013 0.000 0.256 231 D C -1.454 174.873 176.300 0.046 0.000 1.193 231 D CA -2.106 51.910 54.000 0.028 0.000 0.881 231 D CB 1.463 42.288 40.800 0.040 0.000 1.143 231 D HN 0.283 8.653 8.370 -0.000 0.000 0.473 232 P HA -0.077 4.343 4.420 -0.000 0.000 0.215 232 P C 1.128 178.453 177.300 0.042 0.000 1.153 232 P CA 0.913 64.055 63.100 0.070 0.000 0.853 232 P CB 0.241 31.994 31.700 0.089 0.000 0.788 233 R N -0.920 119.610 120.500 0.050 0.000 2.241 233 R HA 0.106 4.439 4.340 -0.013 0.000 0.224 233 R C 1.317 177.623 176.300 0.010 0.000 1.101 233 R CA 0.798 56.914 56.100 0.027 0.000 0.995 233 R CB -0.728 29.587 30.300 0.025 0.000 0.870 233 R HN 0.279 8.549 8.270 -0.000 0.000 0.463 234 G N -0.395 108.408 108.800 0.004 0.000 2.545 234 G HA2 -0.255 3.698 3.960 -0.013 0.000 0.216 234 G HA3 -0.255 3.698 3.960 -0.013 0.000 0.216 234 G C -0.432 174.463 174.900 -0.008 0.000 1.314 234 G CA -0.368 44.725 45.100 -0.011 0.000 0.906 234 G HN 0.312 8.602 8.290 -0.000 0.000 0.563 235 A N 0.465 123.281 122.820 -0.007 0.000 3.051 235 A HA 0.545 4.858 4.320 -0.013 0.000 0.257 235 A C 1.874 179.456 177.584 -0.003 0.000 1.785 235 A CA 1.624 53.661 52.037 0.001 0.000 1.420 235 A CB -1.167 17.835 19.000 0.003 0.000 1.063 235 A HN 2.194 10.344 8.150 -0.000 0.000 0.630 236 T N -1.883 112.666 114.554 -0.009 0.000 3.051 236 T HA -0.033 4.310 4.350 -0.013 0.000 0.269 236 T C 1.370 176.054 174.700 -0.027 0.000 1.127 236 T CA 1.077 63.163 62.100 -0.024 0.000 1.107 236 T CB -0.329 68.512 68.868 -0.045 0.000 0.898 236 T HN 0.416 8.656 8.240 -0.000 0.000 0.517 237 L N -0.485 120.732 121.223 -0.011 0.000 2.463 237 L HA 0.279 4.611 4.340 -0.013 0.000 0.219 237 L C 1.805 178.669 176.870 -0.010 0.000 1.088 237 L CA 0.223 55.058 54.840 -0.008 0.000 0.849 237 L CB -0.115 41.955 42.059 0.020 0.000 1.012 237 L HN 0.225 8.455 8.230 -0.000 0.000 0.468 238 K N -0.778 119.618 120.400 -0.006 0.000 9.188 238 K HA -0.275 4.037 4.320 -0.013 0.000 0.503 238 K C 0.780 177.380 176.600 -0.000 0.000 0.367 238 K CA 1.896 58.179 56.287 -0.007 0.000 1.958 238 K CB -0.671 31.818 32.500 -0.018 0.000 0.698 238 K HN 0.180 8.430 8.250 -0.000 0.000 1.029 239 R N 0.187 120.685 120.500 -0.004 0.000 2.561 239 R HA 0.453 4.786 4.340 -0.013 0.000 0.266 239 R C -0.717 175.579 176.300 -0.005 0.000 1.091 239 R CA 0.364 56.464 56.100 -0.001 0.000 0.927 239 R CB 1.982 32.277 30.300 -0.008 0.000 1.240 239 R HN 0.627 8.897 8.270 -0.000 0.000 0.449 240 G N 0.944 109.746 108.800 0.004 0.000 2.331 240 G HA2 -0.059 3.894 3.960 -0.013 0.000 0.479 240 G HA3 -0.059 3.894 3.960 -0.013 0.000 0.479 240 G C -1.458 173.462 174.900 0.033 0.000 1.262 240 G CA -0.534 44.567 45.100 0.003 0.000 1.029 240 G HN 0.567 8.857 8.290 -0.000 0.000 0.487 241 T N 0.149 114.728 114.554 0.041 0.000 2.886 241 T HA 0.692 5.034 4.350 -0.013 0.000 0.292 241 T C -0.164 174.597 174.700 0.102 0.000 1.012 241 T CA -0.600 61.548 62.100 0.081 0.000 0.982 241 T CB 2.083 70.993 68.868 0.070 0.000 1.018 241 T HN 0.735 8.975 8.240 -0.000 0.000 0.451 242 R N 2.637 123.236 120.500 0.165 0.000 2.445 242 R HA 0.688 5.020 4.340 -0.013 0.000 0.308 242 R C -1.296 175.145 176.300 0.236 0.000 0.961 242 R CA -0.696 55.523 56.100 0.198 0.000 0.862 242 R CB 0.668 31.100 30.300 0.220 0.000 1.144 242 R HN 0.623 8.893 8.270 -0.000 0.000 0.447 243 I N 3.422 124.098 120.570 0.178 0.000 2.411 243 I HA 0.226 4.388 4.170 -0.013 0.000 0.284 243 I C -0.660 175.521 176.117 0.106 0.000 1.012 243 I CA -0.554 60.830 61.300 0.140 0.000 1.119 243 I CB 2.123 40.209 38.000 0.144 0.000 1.261 243 I HN 0.534 8.744 8.210 -0.000 0.000 0.448 244 S N 7.578 123.336 115.700 0.097 0.000 2.438 244 S HA 0.576 5.038 4.470 -0.013 0.000 0.316 244 S C -0.258 174.287 174.600 -0.091 0.000 1.084 244 S CA -0.683 57.534 58.200 0.028 0.000 1.107 244 S CB 0.857 64.142 63.200 0.141 0.000 0.981 244 S HN 0.381 8.691 8.310 -0.000 0.000 0.466 245 L N 4.280 125.403 121.223 -0.167 0.000 2.257 245 L HA 0.390 4.722 4.340 -0.013 0.000 0.290 245 L C 0.154 176.862 176.870 -0.271 0.000 1.044 245 L CA -0.618 54.092 54.840 -0.218 0.000 0.810 245 L CB 0.278 42.175 42.059 -0.270 0.000 1.193 245 L HN 0.632 8.862 8.230 -0.000 0.000 0.425 246 H N 5.311 124.324 119.070 -0.095 0.000 3.118 246 H HA 0.252 4.800 4.556 -0.013 0.000 0.266 246 H C 0.224 175.505 175.328 -0.078 0.000 1.465 246 H CA -0.337 55.680 56.048 -0.051 0.000 1.460 246 H CB 0.420 30.174 29.762 -0.013 0.000 1.661 246 H HN 0.478 8.758 8.280 -0.000 0.000 0.516 247 L N 2.193 123.380 121.223 -0.060 0.000 2.492 247 L HA -0.030 4.302 4.340 -0.013 0.000 0.280 247 L C 1.048 177.898 176.870 -0.033 0.000 1.240 247 L CA 0.411 55.199 54.840 -0.087 0.000 0.831 247 L CB 0.424 42.427 42.059 -0.094 0.000 1.100 247 L HN 0.369 8.599 8.230 -0.000 0.000 0.505 248 K N 0.936 121.309 120.400 -0.046 0.000 2.295 248 K HA 0.102 4.414 4.320 -0.013 0.000 0.270 248 K C 1.275 177.869 176.600 -0.010 0.000 1.011 248 K CA 0.389 56.666 56.287 -0.016 0.000 0.953 248 K CB 0.777 33.265 32.500 -0.020 0.000 0.956 248 K HN 0.671 8.921 8.250 -0.000 0.000 0.477 249 E N 2.210 122.411 120.200 0.003 0.000 2.147 249 E HA -0.270 4.072 4.350 -0.013 0.000 0.199 249 E C 1.237 177.837 176.600 0.001 0.000 1.005 249 E CA 2.287 58.690 56.400 0.005 0.000 0.810 249 E CB -0.584 29.121 29.700 0.008 0.000 0.736 249 E HN 0.638 8.998 8.360 -0.000 0.000 0.460 250 D N -0.641 119.759 120.400 -0.000 0.000 2.194 250 D HA 0.158 4.791 4.640 -0.013 0.000 0.204 250 D C 1.871 178.171 176.300 0.000 0.000 0.964 250 D CA 1.141 55.142 54.000 0.002 0.000 0.846 250 D CB -0.279 40.524 40.800 0.005 0.000 0.962 250 D HN 0.481 8.851 8.370 -0.000 0.000 0.490 251 A N 0.647 123.461 122.820 -0.010 0.000 2.215 251 A HA -0.015 4.297 4.320 -0.013 0.000 0.208 251 A C 1.968 179.546 177.584 -0.010 0.000 1.296 251 A CA 1.183 53.210 52.037 -0.017 0.000 0.918 251 A CB -1.048 17.919 19.000 -0.054 0.000 0.806 251 A HN 0.306 8.456 8.150 -0.000 0.000 0.490 252 T N -1.797 112.755 114.554 -0.003 0.000 2.833 252 T HA -0.191 4.151 4.350 -0.013 0.000 0.269 252 T C 1.359 176.062 174.700 0.006 0.000 1.054 252 T CA 1.684 63.784 62.100 -0.001 0.000 1.135 252 T CB -0.619 68.250 68.868 0.001 0.000 0.869 252 T HN 0.520 8.760 8.240 -0.000 0.000 0.466 253 N N 1.340 120.046 118.700 0.011 0.000 2.443 253 N HA 0.065 4.797 4.740 -0.013 0.000 0.184 253 N C 1.427 176.953 175.510 0.026 0.000 1.037 253 N CA 0.387 53.446 53.050 0.016 0.000 0.896 253 N CB -0.517 37.981 38.487 0.018 0.000 0.959 253 N HN 0.257 8.637 8.380 -0.000 0.000 0.442 254 L N 0.087 121.332 121.223 0.037 0.000 2.291 254 L HA 0.104 4.436 4.340 -0.013 0.000 0.214 254 L C 1.132 178.036 176.870 0.055 0.000 1.120 254 L CA 1.159 56.039 54.840 0.067 0.000 0.799 254 L CB -0.124 41.986 42.059 0.086 0.000 0.925 254 L HN 0.161 8.391 8.230 -0.000 0.000 0.446 255 L N -0.645 120.595 121.223 0.028 0.000 2.591 255 L HA 0.069 4.401 4.340 -0.013 0.000 0.228 255 L C 0.377 177.254 176.870 0.010 0.000 1.133 255 L CA -0.227 54.623 54.840 0.017 0.000 0.880 255 L CB -0.657 41.404 42.059 0.003 0.000 1.033 255 L HN 0.161 8.391 8.230 -0.000 0.000 0.450 256 N N 0.380 119.087 118.700 0.011 0.000 2.514 256 N HA -0.044 4.689 4.740 -0.013 0.000 0.277 256 N C 0.777 176.286 175.510 -0.001 0.000 1.126 256 N CA -0.062 52.990 53.050 0.004 0.000 0.978 256 N CB 1.344 39.832 38.487 0.002 0.000 1.106 256 N HN -0.025 8.355 8.380 -0.000 0.000 0.461 257 D N 2.241 122.641 120.400 -0.001 0.000 2.127 257 D HA -0.177 4.455 4.640 -0.013 0.000 0.190 257 D C 1.116 177.393 176.300 -0.038 0.000 1.000 257 D CA 1.721 55.717 54.000 -0.007 0.000 0.839 257 D CB 0.331 41.144 40.800 0.022 0.000 0.955 257 D HN 0.473 8.843 8.370 -0.000 0.000 0.446 258 K N 0.063 120.444 120.400 -0.031 0.000 2.097 258 K HA -0.143 4.170 4.320 -0.013 0.000 0.206 258 K C 2.221 178.793 176.600 -0.047 0.000 1.049 258 K CA 0.986 57.247 56.287 -0.043 0.000 0.933 258 K CB -0.019 32.463 32.500 -0.030 0.000 0.717 258 K HN 0.055 8.305 8.250 -0.000 0.000 0.442 259 K N 1.348 121.730 120.400 -0.031 0.000 2.001 259 K HA -0.095 4.218 4.320 -0.013 0.000 0.208 259 K C 2.056 178.631 176.600 -0.041 0.000 1.048 259 K CA 1.027 57.296 56.287 -0.029 0.000 0.932 259 K CB -0.104 32.395 32.500 -0.002 0.000 0.715 259 K HN -0.003 8.247 8.250 -0.000 0.000 0.437 260 L N 0.626 121.833 121.223 -0.026 0.000 2.043 260 L HA -0.253 4.079 4.340 -0.013 0.000 0.212 260 L C 2.670 179.502 176.870 -0.064 0.000 1.075 260 L CA 1.514 56.337 54.840 -0.027 0.000 0.752 260 L CB -0.325 41.732 42.059 -0.004 0.000 0.891 260 L HN 0.381 8.611 8.230 -0.000 0.000 0.432 261 M N -1.016 118.534 119.600 -0.083 0.000 2.080 261 M HA -0.267 4.205 4.480 -0.013 0.000 0.260 261 M C 2.080 178.311 176.300 -0.114 0.000 1.068 261 M CA 1.870 57.106 55.300 -0.107 0.000 1.109 261 M CB -0.712 31.809 32.600 -0.131 0.000 1.342 261 M HN 0.343 8.633 8.290 -0.000 0.000 0.405 262 D N 0.858 121.190 120.400 -0.114 0.000 2.092 262 D HA -0.171 4.461 4.640 -0.013 0.000 0.193 262 D C 2.015 178.185 176.300 -0.216 0.000 0.994 262 D CA 1.473 55.391 54.000 -0.137 0.000 0.828 262 D CB -0.013 40.720 40.800 -0.111 0.000 0.963 262 D HN 0.316 8.686 8.370 -0.000 0.000 0.450 263 L N 0.464 121.546 121.223 -0.235 0.000 2.046 263 L HA -0.169 4.163 4.340 -0.013 0.000 0.208 263 L C 2.791 179.424 176.870 -0.395 0.000 1.077 263 L CA 0.713 55.308 54.840 -0.407 0.000 0.747 263 L CB -0.386 41.538 42.059 -0.225 0.000 0.896 263 L HN 0.102 8.332 8.230 -0.000 0.000 0.432 264 I N -0.886 119.578 120.570 -0.177 0.000 2.179 264 I HA -0.297 3.865 4.170 -0.013 0.000 0.242 264 I C 2.878 178.931 176.117 -0.106 0.000 1.088 264 I CA 1.341 62.587 61.300 -0.090 0.000 1.357 264 I CB -0.352 37.624 38.000 -0.040 0.000 1.051 264 I HN 0.194 8.404 8.210 -0.000 0.000 0.409 265 S N 0.649 116.271 115.700 -0.130 0.000 2.370 265 S HA -0.279 4.183 4.470 -0.013 0.000 0.226 265 S C 2.168 176.692 174.600 -0.127 0.000 1.033 265 S CA 1.797 59.931 58.200 -0.112 0.000 1.011 265 S CB -0.207 62.928 63.200 -0.109 0.000 0.852 265 S HN 0.319 8.629 8.310 -0.000 0.000 0.457 266 K N -0.912 119.349 120.400 -0.230 0.000 2.026 266 K HA -0.090 4.222 4.320 -0.013 0.000 0.208 266 K C 1.150 177.677 176.600 -0.121 0.000 1.048 266 K CA 1.493 57.619 56.287 -0.269 0.000 0.929 266 K CB -0.220 31.951 32.500 -0.548 0.000 0.713 266 K HN 0.475 8.725 8.250 -0.000 0.000 0.439 267 Y N 0.081 120.345 120.300 -0.061 0.000 2.461 267 Y HA 0.109 4.650 4.550 -0.015 0.000 0.277 267 Y C 1.212 177.083 175.900 -0.049 0.000 1.182 267 Y CA -0.120 57.942 58.100 -0.064 0.000 1.276 267 Y CB 0.185 38.587 38.460 -0.096 0.000 1.087 267 Y HN 0.062 8.342 8.280 -0.000 0.000 0.519 268 S N -2.317 113.428 115.700 0.076 0.000 2.588 268 S HA 0.244 4.706 4.470 -0.013 0.000 0.245 268 S C 1.583 176.195 174.600 0.020 0.000 1.021 268 S CA 0.258 58.483 58.200 0.042 0.000 1.006 268 S CB -0.174 63.036 63.200 0.016 0.000 0.830 268 S HN 0.373 8.683 8.310 -0.000 0.000 0.468 269 Q N 1.115 120.930 119.800 0.026 0.000 1.975 269 Q HA 0.057 4.389 4.340 -0.013 0.000 0.205 269 Q C 1.897 177.898 176.000 0.001 0.000 0.990 269 Q CA 2.059 57.867 55.803 0.009 0.000 0.845 269 Q CB -1.585 27.162 28.738 0.016 0.000 0.913 269 Q HN 1.380 9.650 8.270 -0.000 0.000 0.420 270 F N 0.427 120.381 119.950 0.007 0.000 2.660 270 F HA 0.574 5.093 4.527 -0.013 0.000 0.297 270 F C 0.613 176.414 175.800 0.001 0.000 1.132 270 F CA -0.788 57.210 58.000 -0.003 0.000 1.372 270 F CB -0.130 38.868 39.000 -0.002 0.000 1.003 270 F HN 0.317 8.617 8.300 -0.000 0.000 0.524 271 I N 1.102 121.679 120.570 0.011 0.000 2.352 271 I HA 0.162 4.324 4.170 -0.013 0.000 0.290 271 I C 0.833 176.940 176.117 -0.017 0.000 1.036 271 I CA -0.174 61.147 61.300 0.034 0.000 1.336 271 I CB 0.960 39.000 38.000 0.066 0.000 1.407 271 I HN 0.436 8.646 8.210 -0.000 0.000 0.497 272 Q N 4.116 123.864 119.800 -0.087 0.000 2.392 272 Q HA 0.160 4.492 4.340 -0.013 0.000 0.203 272 Q C -0.399 175.355 176.000 -0.411 0.000 0.917 272 Q CA 0.532 56.169 55.803 -0.276 0.000 0.939 272 Q CB 0.417 28.916 28.738 -0.399 0.000 1.063 272 Q HN 0.470 8.740 8.270 -0.000 0.000 0.516 273 F N 1.389 121.338 119.950 -0.002 0.000 2.440 273 F HA 0.362 4.888 4.527 -0.003 0.000 0.328 273 F C -1.879 173.909 175.800 -0.020 0.000 1.070 273 F CA -2.808 55.194 58.000 0.002 0.000 1.011 273 F CB 0.700 39.710 39.000 0.017 0.000 1.226 273 F HN -0.119 8.181 8.300 -0.000 0.000 0.491 274 P HA 0.275 4.695 4.420 -0.000 0.000 0.275 274 P C -0.838 176.442 177.300 -0.034 0.000 1.228 274 P CA 0.108 63.195 63.100 -0.022 0.000 0.786 274 P CB 1.207 32.878 31.700 -0.047 0.000 0.927 275 I N 3.040 123.508 120.570 -0.171 0.000 2.418 275 I HA 0.319 4.481 4.170 -0.013 0.000 0.287 275 I C -0.412 175.607 176.117 -0.164 0.000 1.008 275 I CA -0.828 60.435 61.300 -0.061 0.000 1.104 275 I CB 1.161 39.164 38.000 0.004 0.000 1.264 275 I HN 0.266 8.476 8.210 -0.000 0.000 0.438 276 Y N 6.027 126.407 120.300 0.132 0.000 2.409 276 Y HA 0.614 5.158 4.550 -0.010 0.000 0.339 276 Y C -0.445 175.703 175.900 0.413 0.000 1.033 276 Y CA -0.874 57.377 58.100 0.253 0.000 1.094 276 Y CB 2.005 40.587 38.460 0.204 0.000 1.210 276 Y HN 0.377 8.657 8.280 -0.000 0.000 0.456 277 L N 4.336 125.879 121.223 0.533 0.000 2.333 277 L HA 0.563 4.895 4.340 -0.013 0.000 0.280 277 L C -1.547 175.436 176.870 0.188 0.000 1.004 277 L CA -0.873 54.169 54.840 0.337 0.000 0.820 277 L CB 1.344 43.483 42.059 0.133 0.000 1.247 277 L HN 0.627 8.857 8.230 -0.000 0.000 0.416 278 L N 6.115 127.161 121.223 -0.296 0.000 2.312 278 L HA 0.444 4.776 4.340 -0.013 0.000 0.287 278 L C -0.590 176.120 176.870 -0.266 0.000 1.091 278 L CA 0.339 54.712 54.840 -0.777 0.000 0.846 278 L CB -0.396 40.819 42.059 -1.407 0.000 1.219 278 L HN 0.884 9.114 8.230 -0.000 0.000 0.439 279 H N 1.236 120.148 119.070 -0.263 0.000 2.797 279 H HA 0.548 5.096 4.556 -0.013 0.000 0.372 279 H C -0.736 174.505 175.328 -0.146 0.000 1.168 279 H CA -1.066 54.886 56.048 -0.159 0.000 1.163 279 H CB 0.873 30.582 29.762 -0.089 0.000 1.778 279 H HN 0.547 8.827 8.280 -0.000 0.000 0.551 280 E N 0.969 121.029 120.200 -0.232 0.000 2.413 280 E HA 0.015 4.357 4.350 -0.013 0.000 0.263 280 E C -0.854 175.532 176.600 -0.357 0.000 1.015 280 E CA 0.035 56.283 56.400 -0.255 0.000 0.916 280 E CB 0.392 30.016 29.700 -0.128 0.000 0.947 280 E HN 0.600 8.960 8.360 -0.000 0.000 0.440 281 N N 1.753 120.240 118.700 -0.355 0.000 2.258 281 N HA 0.328 5.060 4.740 -0.013 0.000 0.299 281 N C -1.760 173.451 175.510 -0.498 0.000 1.047 281 N CA -0.514 52.299 53.050 -0.395 0.000 0.814 281 N CB 2.143 40.372 38.487 -0.430 0.000 1.413 281 N HN 0.076 8.456 8.380 -0.000 0.000 0.478 282 V N 2.679 122.347 119.914 -0.410 0.000 2.444 282 V HA 0.413 4.525 4.120 -0.013 0.000 0.294 282 V C -1.121 174.810 176.094 -0.271 0.000 1.022 282 V CA -0.718 61.370 62.300 -0.353 0.000 0.850 282 V CB 0.651 32.373 31.823 -0.167 0.000 0.992 282 V HN 0.600 8.790 8.190 -0.000 0.000 0.426 283 Y N 2.043 122.292 120.300 -0.084 0.000 2.369 283 Y HA 0.552 5.094 4.550 -0.014 0.000 0.337 283 Y C 0.703 176.538 175.900 -0.108 0.000 0.961 283 Y CA -0.779 57.270 58.100 -0.084 0.000 1.186 283 Y CB 1.745 40.153 38.460 -0.087 0.000 1.139 283 Y HN 0.517 8.797 8.280 -0.000 0.000 0.494 284 T N 4.088 118.685 114.554 0.072 0.000 2.824 284 T HA 0.455 4.798 4.350 -0.013 0.000 0.280 284 T C -0.594 174.113 174.700 0.012 0.000 0.995 284 T CA -0.891 61.217 62.100 0.013 0.000 1.009 284 T CB 1.217 70.086 68.868 0.002 0.000 0.955 284 T HN 0.779 9.019 8.240 -0.000 0.000 0.452 285 E N 1.310 121.507 120.200 -0.006 0.000 2.407 285 E HA 0.432 4.774 4.350 -0.013 0.000 0.279 285 E C -1.486 175.107 176.600 -0.011 0.000 1.012 285 E CA -1.062 55.334 56.400 -0.007 0.000 0.800 285 E CB 1.205 30.900 29.700 -0.007 0.000 1.276 285 E HN 0.175 8.535 8.360 -0.000 0.000 0.452 286 E N 0.884 121.080 120.200 -0.008 0.000 2.313 286 E HA 0.399 4.741 4.350 -0.013 0.000 0.276 286 E C -0.848 175.748 176.600 -0.007 0.000 1.031 286 E CA -0.422 55.974 56.400 -0.008 0.000 0.857 286 E CB 1.840 31.537 29.700 -0.005 0.000 1.040 286 E HN 0.363 8.723 8.360 -0.000 0.000 0.408 287 V N 3.816 123.726 119.914 -0.008 0.000 2.925 287 V HA 0.302 4.415 4.120 -0.013 0.000 0.311 287 V C 0.132 176.223 176.094 -0.004 0.000 1.104 287 V CA -0.873 61.424 62.300 -0.006 0.000 0.954 287 V CB 2.015 33.833 31.823 -0.008 0.000 1.022 287 V HN 0.548 8.738 8.190 -0.000 0.000 0.427 288 L N 2.875 124.096 121.223 -0.002 0.000 2.455 288 L HA 0.231 4.563 4.340 -0.013 0.000 0.272 288 L C 1.888 178.757 176.870 -0.001 0.000 1.174 288 L CA 0.453 55.293 54.840 -0.001 0.000 0.869 288 L CB 0.931 42.990 42.059 0.000 0.000 1.130 288 L HN 0.960 9.190 8.230 -0.000 0.000 0.474 289 A N 2.871 125.690 122.820 -0.002 0.000 1.909 289 A HA -0.287 4.026 4.320 -0.013 0.000 0.221 289 A C 1.751 179.335 177.584 -0.000 0.000 1.223 289 A CA 2.344 54.380 52.037 -0.002 0.000 0.658 289 A CB -0.490 18.509 19.000 -0.001 0.000 0.831 289 A HN 0.904 9.054 8.150 -0.000 0.000 0.462 290 D N -0.284 120.116 120.400 0.001 0.000 2.144 290 D HA -0.111 4.522 4.640 -0.013 0.000 0.199 290 D C 1.871 178.173 176.300 0.004 0.000 0.984 290 D CA 1.494 55.495 54.000 0.003 0.000 0.834 290 D CB -0.374 40.428 40.800 0.003 0.000 0.955 290 D HN 0.620 8.990 8.370 -0.000 0.000 0.465 291 I N 1.284 121.856 120.570 0.004 0.000 2.406 291 I HA -0.133 4.029 4.170 -0.013 0.000 0.249 291 I C 2.606 178.726 176.117 0.006 0.000 1.122 291 I CA 0.561 61.865 61.300 0.006 0.000 1.431 291 I CB -0.236 37.768 38.000 0.006 0.000 1.087 291 I HN -0.115 8.095 8.210 -0.000 0.000 0.424 292 A N 1.560 124.381 122.820 0.002 0.000 1.883 292 A HA -0.301 4.012 4.320 -0.013 0.000 0.217 292 A C 2.657 180.242 177.584 0.001 0.000 1.186 292 A CA 2.831 54.867 52.037 -0.002 0.000 0.624 292 A CB -0.998 17.998 19.000 -0.006 0.000 0.822 292 A HN 0.374 8.524 8.150 -0.000 0.000 0.444 293 K N -0.162 120.240 120.400 0.003 0.000 2.063 293 K HA -0.237 4.075 4.320 -0.013 0.000 0.208 293 K C 1.630 178.236 176.600 0.010 0.000 1.048 293 K CA 2.129 58.419 56.287 0.005 0.000 0.928 293 K CB -1.220 31.283 32.500 0.005 0.000 0.713 293 K HN 0.583 8.833 8.250 -0.000 0.000 0.442 294 D N 0.005 120.412 120.400 0.013 0.000 2.178 294 D HA -0.051 4.581 4.640 -0.013 0.000 0.202 294 D C 1.915 178.232 176.300 0.028 0.000 0.974 294 D CA 1.144 55.156 54.000 0.019 0.000 0.841 294 D CB -0.141 40.669 40.800 0.018 0.000 0.953 294 D HN 0.496 8.866 8.370 -0.000 0.000 0.478 295 M N 0.162 119.778 119.600 0.027 0.000 2.374 295 M HA -0.089 4.383 4.480 -0.013 0.000 0.264 295 M C 1.990 178.316 176.300 0.043 0.000 1.067 295 M CA 0.507 55.830 55.300 0.038 0.000 1.103 295 M CB 0.097 32.706 32.600 0.016 0.000 1.402 295 M HN -0.088 8.202 8.290 -0.000 0.000 0.444 296 V N 0.899 120.829 119.914 0.027 0.000 2.407 296 V HA -0.264 3.848 4.120 -0.013 0.000 0.248 296 V C 1.870 177.990 176.094 0.043 0.000 1.055 296 V CA 1.584 63.900 62.300 0.027 0.000 1.049 296 V CB -0.872 30.960 31.823 0.014 0.000 0.662 296 V HN 0.515 8.705 8.190 -0.000 0.000 0.455 297 N N -0.322 118.403 118.700 0.042 0.000 2.459 297 N HA -0.070 4.662 4.740 -0.013 0.000 0.181 297 N C 0.827 176.372 175.510 0.058 0.000 1.046 297 N CA 0.412 53.487 53.050 0.041 0.000 0.904 297 N CB -0.363 38.142 38.487 0.031 0.000 0.964 297 N HN 0.451 8.831 8.380 -0.000 0.000 0.444 298 D N 1.962 122.417 120.400 0.092 0.000 2.426 298 D HA -0.022 4.610 4.640 -0.013 0.000 0.261 298 D C -1.632 174.730 176.300 0.103 0.000 1.245 298 D CA -1.075 52.999 54.000 0.122 0.000 0.917 298 D CB 1.131 42.077 40.800 0.243 0.000 1.123 298 D HN 0.168 8.538 8.370 -0.000 0.000 0.508 299 P HA 0.081 4.501 4.420 -0.000 0.000 0.255 299 P C 0.473 177.742 177.300 -0.053 0.000 1.248 299 P CA 0.056 63.160 63.100 0.007 0.000 0.807 299 P CB 0.329 32.028 31.700 -0.002 0.000 1.150 300 N N -0.744 117.868 118.700 -0.147 0.000 2.461 300 N HA -0.004 4.729 4.740 -0.013 0.000 0.188 300 N C -0.409 174.751 175.510 -0.583 0.000 1.134 300 N CA 0.626 53.463 53.050 -0.355 0.000 0.878 300 N CB -0.005 38.207 38.487 -0.457 0.000 0.972 300 N HN 0.282 8.662 8.380 -0.000 0.000 0.456 301 Y N -0.084 120.227 120.300 0.019 0.000 2.462 301 Y HA 0.253 4.795 4.550 -0.013 0.000 0.346 301 Y C 1.019 176.910 175.900 -0.015 0.000 0.976 301 Y CA -1.271 56.832 58.100 0.005 0.000 1.044 301 Y CB 1.376 39.846 38.460 0.016 0.000 1.230 301 Y HN -0.224 8.056 8.280 -0.000 0.000 0.455 302 D N 0.800 121.274 120.400 0.122 0.000 2.117 302 D HA -0.069 4.563 4.640 -0.013 0.000 0.197 302 D C 0.103 176.430 176.300 0.046 0.000 0.987 302 D CA 1.562 55.590 54.000 0.046 0.000 0.829 302 D CB 0.221 41.022 40.800 0.001 0.000 0.961 302 D HN 0.460 8.830 8.370 -0.000 0.000 0.460 303 S N -1.077 114.654 115.700 0.052 0.000 2.550 303 S HA 0.570 5.032 4.470 -0.013 0.000 0.270 303 S C -0.929 173.671 174.600 -0.000 0.000 1.145 303 S CA -0.972 57.240 58.200 0.021 0.000 0.852 303 S CB 2.765 65.960 63.200 -0.009 0.000 1.119 303 S HN -0.149 8.161 8.310 -0.000 0.000 0.465 304 V N 0.957 120.863 119.914 -0.014 0.000 2.419 304 V HA 0.788 4.900 4.120 -0.013 0.000 0.287 304 V C 0.065 176.134 176.094 -0.041 0.000 1.017 304 V CA -0.558 61.711 62.300 -0.051 0.000 0.844 304 V CB 1.081 32.884 31.823 -0.033 0.000 1.011 304 V HN 1.218 9.408 8.190 -0.000 0.000 0.429 305 K N 3.608 123.976 120.400 -0.054 0.000 2.234 305 K HA 0.769 5.081 4.320 -0.013 0.000 0.277 305 K C -0.709 175.868 176.600 -0.038 0.000 1.038 305 K CA -0.376 55.888 56.287 -0.039 0.000 0.888 305 K CB 1.541 34.017 32.500 -0.040 0.000 1.091 305 K HN 0.540 8.790 8.250 -0.000 0.000 0.467 306 V N 3.757 123.655 119.914 -0.026 0.000 2.384 306 V HA 0.243 4.355 4.120 -0.013 0.000 0.287 306 V C 0.435 176.519 176.094 -0.017 0.000 1.020 306 V CA -1.002 61.285 62.300 -0.022 0.000 0.850 306 V CB 1.061 32.874 31.823 -0.017 0.000 0.987 306 V HN 1.027 9.217 8.190 -0.000 0.000 0.436 307 E N 4.012 124.202 120.200 -0.017 0.000 2.502 307 E HA 0.080 4.422 4.350 -0.013 0.000 0.261 307 E C -0.438 176.156 176.600 -0.010 0.000 0.974 307 E CA -0.014 56.378 56.400 -0.013 0.000 0.936 307 E CB 0.851 30.544 29.700 -0.013 0.000 0.926 307 E HN 0.711 9.071 8.360 -0.000 0.000 0.459 308 E N 1.869 122.064 120.200 -0.009 0.000 2.231 308 E HA 0.316 4.658 4.350 -0.013 0.000 0.277 308 E C -0.892 175.704 176.600 -0.006 0.000 0.999 308 E CA -0.576 55.820 56.400 -0.007 0.000 0.827 308 E CB 2.075 31.772 29.700 -0.006 0.000 1.101 308 E HN 0.517 8.877 8.360 -0.000 0.000 0.393 309 T N 0.515 115.066 114.554 -0.005 0.000 2.916 309 T HA 0.346 4.689 4.350 -0.013 0.000 0.305 309 T C 0.111 174.809 174.700 -0.003 0.000 1.119 309 T CA 0.185 62.282 62.100 -0.004 0.000 1.008 309 T CB 1.413 70.279 68.868 -0.004 0.000 1.129 309 T HN 0.560 8.800 8.240 -0.000 0.000 0.480 310 D N 1.777 122.175 120.400 -0.003 0.000 2.183 310 D HA 0.047 4.679 4.640 -0.013 0.000 0.205 310 D C 0.770 177.069 176.300 -0.002 0.000 0.962 310 D CA 0.270 54.269 54.000 -0.002 0.000 0.849 310 D CB -0.221 40.577 40.800 -0.002 0.000 0.978 310 D HN 0.678 9.048 8.370 -0.000 0.000 0.488 311 D N 0.773 121.171 120.400 -0.002 0.000 2.536 311 D HA -0.023 4.609 4.640 -0.013 0.000 0.260 311 D C -1.413 174.886 176.300 -0.002 0.000 1.270 311 D CA -1.409 52.590 54.000 -0.002 0.000 0.934 311 D CB 1.532 42.331 40.800 -0.002 0.000 1.129 311 D HN 0.216 8.586 8.370 -0.000 0.000 0.533 312 P HA 0.014 4.434 4.420 -0.000 0.000 0.249 312 P C 0.427 177.727 177.300 -0.001 0.000 1.229 312 P CA 0.179 63.279 63.100 -0.001 0.000 0.788 312 P CB 0.441 32.140 31.700 -0.001 0.000 1.072 313 N N 0.004 118.704 118.700 -0.001 0.000 2.424 313 N HA 0.003 4.735 4.740 -0.013 0.000 0.178 313 N C 0.664 176.174 175.510 -0.001 0.000 1.060 313 N CA 0.346 53.396 53.050 -0.001 0.000 0.901 313 N CB 0.065 38.551 38.487 -0.001 0.000 0.979 313 N HN 0.231 8.611 8.380 -0.000 0.000 0.451 314 K N 1.738 122.137 120.400 -0.002 0.000 2.402 314 K HA 0.075 4.387 4.320 -0.013 0.000 0.285 314 K C 0.691 177.290 176.600 -0.002 0.000 1.054 314 K CA 0.285 56.571 56.287 -0.002 0.000 1.001 314 K CB 0.720 33.219 32.500 -0.003 0.000 0.946 314 K HN 0.078 8.328 8.250 -0.000 0.000 0.473 315 K N 0.915 121.314 120.400 -0.002 0.000 2.393 315 K HA -0.005 4.307 4.320 -0.013 0.000 0.193 315 K C 0.657 177.256 176.600 -0.002 0.000 1.026 315 K CA 0.433 56.719 56.287 -0.002 0.000 1.064 315 K CB 0.571 33.070 32.500 -0.001 0.000 0.833 315 K HN 0.650 8.900 8.250 -0.000 0.000 0.521 316 T N -1.084 113.468 114.554 -0.003 0.000 2.916 316 T HA 0.553 4.895 4.350 -0.013 0.000 0.292 316 T C -0.569 174.128 174.700 -0.005 0.000 1.055 316 T CA -1.166 60.931 62.100 -0.004 0.000 1.009 316 T CB 2.390 71.256 68.868 -0.004 0.000 1.118 316 T HN -0.194 8.046 8.240 -0.000 0.000 0.497 317 R N 0.691 121.187 120.500 -0.006 0.000 2.725 317 R HA 0.573 4.905 4.340 -0.013 0.000 0.277 317 R C -0.925 175.369 176.300 -0.011 0.000 0.987 317 R CA -0.757 55.338 56.100 -0.008 0.000 0.901 317 R CB 1.878 32.173 30.300 -0.009 0.000 1.207 317 R HN 0.834 9.104 8.270 -0.000 0.000 0.463 318 T N 1.353 115.899 114.554 -0.013 0.000 2.780 318 T HA 0.362 4.704 4.350 -0.013 0.000 0.294 318 T C 0.077 174.764 174.700 -0.022 0.000 0.949 318 T CA -0.354 61.736 62.100 -0.016 0.000 1.074 318 T CB 0.969 69.829 68.868 -0.014 0.000 0.910 318 T HN 0.122 8.362 8.240 -0.000 0.000 0.501 319 V N 4.002 123.899 119.914 -0.028 0.000 2.495 319 V HA 0.369 4.481 4.120 -0.013 0.000 0.298 319 V C -0.004 176.055 176.094 -0.058 0.000 1.031 319 V CA -0.828 61.446 62.300 -0.043 0.000 0.871 319 V CB 1.841 33.638 31.823 -0.044 0.000 0.988 319 V HN 0.849 9.039 8.190 -0.000 0.000 0.432 320 E N 3.812 123.968 120.200 -0.073 0.000 2.114 320 E HA 0.386 4.729 4.350 -0.013 0.000 0.266 320 E C -0.940 175.568 176.600 -0.152 0.000 0.896 320 E CA -0.594 55.750 56.400 -0.094 0.000 0.750 320 E CB 1.654 31.309 29.700 -0.075 0.000 1.121 320 E HN 0.512 8.872 8.360 -0.000 0.000 0.413 321 K N 3.111 123.370 120.400 -0.235 0.000 2.234 321 K HA 0.299 4.611 4.320 -0.013 0.000 0.277 321 K C -0.518 175.870 176.600 -0.354 0.000 1.038 321 K CA -0.339 55.685 56.287 -0.438 0.000 0.888 321 K CB 1.165 33.116 32.500 -0.915 0.000 1.091 321 K HN 0.134 8.384 8.250 -0.000 0.000 0.467 322 K N 2.044 122.320 120.400 -0.207 0.000 2.274 322 K HA 0.473 4.785 4.320 -0.013 0.000 0.262 322 K C -1.316 175.266 176.600 -0.031 0.000 0.961 322 K CA -0.710 55.481 56.287 -0.159 0.000 0.833 322 K CB 2.113 34.542 32.500 -0.117 0.000 1.102 322 K HN 0.178 8.428 8.250 -0.000 0.000 0.436 323 V N 3.230 123.086 119.914 -0.096 0.000 2.808 323 V HA 0.283 4.395 4.120 -0.013 0.000 0.308 323 V C -1.381 174.620 176.094 -0.156 0.000 1.099 323 V CA -0.903 61.378 62.300 -0.031 0.000 0.920 323 V CB 1.957 33.860 31.823 0.133 0.000 1.014 323 V HN 0.651 8.841 8.190 -0.000 0.000 0.425 324 K N 5.476 125.780 120.400 -0.160 0.000 2.276 324 K HA 0.508 4.820 4.320 -0.013 0.000 0.283 324 K C -0.672 175.761 176.600 -0.279 0.000 1.044 324 K CA -0.471 55.665 56.287 -0.251 0.000 0.944 324 K CB 1.005 33.355 32.500 -0.249 0.000 1.012 324 K HN 0.492 8.742 8.250 -0.000 0.000 0.472 325 K N 2.098 122.292 120.400 -0.344 0.000 2.443 325 K HA 0.298 4.611 4.320 -0.013 0.000 0.251 325 K C -0.996 175.452 176.600 -0.254 0.000 0.972 325 K CA -0.840 55.301 56.287 -0.243 0.000 0.833 325 K CB 1.476 33.927 32.500 -0.081 0.000 1.317 325 K HN 0.426 8.676 8.250 -0.000 0.000 0.441 326 W N 1.103 122.440 121.300 0.061 0.000 2.287 326 W HA 0.226 4.878 4.660 -0.014 0.000 0.313 326 W C 0.092 176.754 176.519 0.237 0.000 1.267 326 W CA -0.019 57.412 57.345 0.144 0.000 1.201 326 W CB 1.100 30.594 29.460 0.057 0.000 1.196 326 W HN 0.224 8.404 8.180 -0.000 0.000 0.536 327 T N 4.432 119.311 114.554 0.540 0.000 2.848 327 T HA 0.274 4.616 4.350 -0.013 0.000 0.285 327 T C -0.972 173.918 174.700 0.318 0.000 0.995 327 T CA -0.822 61.518 62.100 0.400 0.000 0.970 327 T CB 1.237 70.310 68.868 0.343 0.000 0.976 327 T HN 0.181 8.421 8.240 -0.000 0.000 0.441 328 L N 4.234 125.561 121.223 0.173 0.000 2.477 328 L HA 0.260 4.593 4.340 -0.013 0.000 0.272 328 L C 0.970 177.778 176.870 -0.104 0.000 1.157 328 L CA 0.228 54.956 54.840 -0.186 0.000 0.889 328 L CB 0.158 42.082 42.059 -0.225 0.000 1.158 328 L HN 0.646 8.876 8.230 -0.000 0.000 0.473 329 M N 3.144 122.662 119.600 -0.136 0.000 2.509 329 M HA 0.160 4.632 4.480 -0.013 0.000 0.250 329 M C -0.026 176.224 176.300 -0.084 0.000 1.132 329 M CA 0.333 55.585 55.300 -0.080 0.000 1.080 329 M CB -1.179 31.391 32.600 -0.050 0.000 1.408 329 M HN 0.805 9.095 8.290 -0.000 0.000 0.484 330 N N 0.000 118.633 118.700 -0.112 0.000 1.763 330 N HA 0.000 4.732 4.740 -0.013 0.000 0.220 330 N CA 0.000 53.000 53.050 -0.083 0.000 0.885 330 N CB 0.000 38.448 38.487 -0.065 0.000 1.341 330 N HN 0.000 8.380 8.380 -0.000 0.000 0.667