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 2k5b_1_A DATA FIRST_RESID 14 DATA SEQUENCE EEEVETFAFQ AEIAQLMSLI INTFYSNKEI FLRELISNSS DALDKIRYET DATA SEQUENCE LTDPSKLDSG KELHINLIPN KQDRTLTIVD TGIGMTKADL INNLGTIAKS DATA SEQUENCE GTKAFMEALQ AGADISMIGQ FGVGFYSAYL VAEKVTVITK HNDDEQYAWE DATA SEQUENCE SSAGGSFTVR TDTGEPMGRG TKVILHLKED QTEYLEERRI KEIVKKHSQF DATA SEQUENCE IGYPITLFVE 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 14 E HA 0.000 4.353 4.350 0.006 0.000 0.291 14 E C 0.000 176.607 176.600 0.012 0.000 1.382 14 E CA 0.000 56.404 56.400 0.007 0.000 0.976 14 E CB 0.000 29.702 29.700 0.003 0.000 0.812 15 E N 1.620 121.828 120.200 0.013 0.000 2.292 15 E HA 0.142 4.509 4.350 0.029 0.000 0.258 15 E C -1.434 175.179 176.600 0.021 0.000 1.115 15 E CA -0.415 55.999 56.400 0.023 0.000 0.929 15 E CB 1.079 30.795 29.700 0.026 0.000 1.161 15 E HN 0.091 8.457 8.360 0.009 0.000 0.453 16 E N 2.405 122.627 120.200 0.037 0.000 2.173 16 E HA 0.214 4.572 4.350 0.012 0.000 0.249 16 E C -1.716 174.900 176.600 0.027 0.000 0.923 16 E CA -0.732 55.687 56.400 0.032 0.000 0.754 16 E CB 0.112 29.846 29.700 0.056 0.000 1.177 16 E HN 0.327 8.718 8.360 0.052 0.000 0.430 17 V N 5.986 125.894 119.914 -0.011 0.000 2.370 17 V HA 0.475 4.791 4.120 -0.007 -0.200 0.283 17 V C -0.811 175.214 176.094 -0.115 0.000 1.023 17 V CA -1.418 60.860 62.300 -0.038 0.000 0.857 17 V CB 1.118 32.918 31.823 -0.039 0.000 0.985 17 V HN 0.120 8.298 8.190 -0.020 0.000 0.443 18 E N 8.639 128.732 120.200 -0.177 0.000 2.187 18 E HA 0.403 4.535 4.350 -0.363 0.000 0.268 18 E C -1.825 174.408 176.600 -0.612 0.000 0.896 18 E CA -2.118 54.036 56.400 -0.411 0.000 0.766 18 E CB 3.780 33.197 29.700 -0.471 0.000 1.142 18 E HN 0.612 8.908 8.360 -0.106 0.000 0.408 19 T N 6.193 120.343 114.554 -0.672 0.000 2.758 19 T HA 0.777 5.007 4.350 -0.573 -0.225 0.285 19 T C -0.728 173.455 174.700 -0.862 0.000 0.981 19 T CA -0.696 61.024 62.100 -0.634 0.000 0.965 19 T CB 0.794 69.446 68.868 -0.360 0.000 0.927 19 T HN 0.237 8.134 8.240 -0.571 0.000 0.448 20 F N 5.709 125.201 119.950 -0.764 0.000 2.523 20 F HA 0.256 4.503 4.527 -0.468 0.000 0.329 20 F C -1.321 173.953 175.800 -0.878 0.000 1.061 20 F CA -1.797 55.691 58.000 -0.854 0.000 0.967 20 F CB 3.097 41.457 39.000 -1.067 0.000 1.218 20 F HN 0.527 8.223 8.300 -1.007 0.000 0.480 21 A N -0.298 122.398 122.820 -0.207 0.000 2.306 21 A HA 0.433 4.859 4.320 -0.038 -0.128 0.314 21 A C -1.197 176.480 177.584 0.154 0.000 1.164 21 A CA -1.267 50.752 52.037 -0.030 0.000 0.822 21 A CB 1.451 20.477 19.000 0.044 0.000 1.130 21 A HN 0.155 8.282 8.150 -0.038 0.000 0.496 22 F N 1.882 122.014 119.950 0.304 0.000 2.471 22 F HA -0.150 4.689 4.527 0.520 0.000 0.353 22 F C 0.207 176.112 175.800 0.174 0.000 1.113 22 F CA 1.309 59.509 58.000 0.333 0.000 1.262 22 F CB 1.214 40.347 39.000 0.223 0.000 1.146 22 F HN -0.084 8.489 8.300 0.455 0.000 0.578 23 Q N 3.847 123.852 119.800 0.343 0.000 2.386 23 Q HA -0.218 4.219 4.340 0.163 0.000 0.282 23 Q C 0.695 176.784 176.000 0.148 0.000 1.050 23 Q CA 0.610 56.530 55.803 0.195 0.000 0.918 23 Q CB 1.735 30.565 28.738 0.154 0.000 1.266 23 Q HN -0.229 8.276 8.270 0.392 0.000 0.423 24 A N 6.580 129.459 122.820 0.098 0.000 1.870 24 A HA -0.374 3.984 4.320 0.064 0.000 0.219 24 A C 2.115 179.722 177.584 0.039 0.000 1.224 24 A CA 3.945 56.019 52.037 0.062 0.000 0.650 24 A CB -0.558 18.468 19.000 0.045 0.000 0.836 24 A HN 0.808 9.013 8.150 0.092 0.000 0.454 25 E N -2.014 118.207 120.200 0.036 0.000 2.118 25 E HA -0.328 4.025 4.350 0.006 0.000 0.195 25 E C 2.437 179.033 176.600 -0.007 0.000 0.992 25 E CA 3.574 59.983 56.400 0.016 0.000 0.804 25 E CB -0.254 29.462 29.700 0.025 0.000 0.741 25 E HN -0.399 8.328 8.360 0.046 -0.340 0.458 26 I N -0.714 119.856 120.570 -0.000 0.000 2.179 26 I HA -0.478 3.610 4.170 -0.137 0.000 0.242 26 I C 1.623 177.625 176.117 -0.192 0.000 1.088 26 I CA 3.366 64.604 61.300 -0.103 0.000 1.357 26 I CB -0.327 37.652 38.000 -0.034 0.000 1.051 26 I HN -0.859 7.292 8.210 0.047 0.086 0.409 27 A N -0.245 122.527 122.820 -0.080 0.000 1.902 27 A HA -0.381 3.790 4.320 -0.248 0.000 0.217 27 A C 2.099 179.612 177.584 -0.118 0.000 1.181 27 A CA 3.201 55.171 52.037 -0.112 0.000 0.623 27 A CB -0.793 18.220 19.000 0.023 0.000 0.818 27 A HN 0.490 8.655 8.150 0.026 0.000 0.443 28 Q N -0.617 119.144 119.800 -0.065 0.000 2.020 28 Q HA -0.344 3.965 4.340 -0.052 0.000 0.202 28 Q C 2.621 178.584 176.000 -0.062 0.000 0.982 28 Q CA 3.353 59.124 55.803 -0.053 0.000 0.838 28 Q CB -0.095 28.626 28.738 -0.028 0.000 0.899 28 Q HN -0.057 8.190 8.270 -0.038 0.000 0.423 29 L N 0.346 121.536 121.223 -0.055 0.000 2.042 29 L HA -0.398 3.951 4.340 0.015 0.000 0.210 29 L C 1.645 178.487 176.870 -0.046 0.000 1.076 29 L CA 3.297 58.129 54.840 -0.014 0.000 0.749 29 L CB -0.122 41.958 42.059 0.035 0.000 0.893 29 L HN 0.438 8.525 8.230 -0.056 0.110 0.432 30 M N -1.082 118.415 119.600 -0.172 0.000 2.117 30 M HA -0.531 3.837 4.480 -0.187 0.000 0.262 30 M C 2.118 178.294 176.300 -0.207 0.000 1.065 30 M CA 4.737 59.877 55.300 -0.267 0.000 1.114 30 M CB -0.194 32.085 32.600 -0.535 0.000 1.361 30 M HN 0.395 8.547 8.290 -0.215 0.009 0.408 31 S N 0.770 116.370 115.700 -0.166 0.000 2.382 31 S HA -0.288 4.099 4.470 -0.137 0.000 0.228 31 S C 2.100 176.663 174.600 -0.061 0.000 1.027 31 S CA 4.250 62.381 58.200 -0.115 0.000 0.991 31 S CB -0.427 62.720 63.200 -0.088 0.000 0.823 31 S HN -0.350 7.781 8.310 -0.166 0.079 0.469 32 L N 1.621 122.824 121.223 -0.034 0.000 2.027 32 L HA -0.298 4.030 4.340 -0.020 0.000 0.206 32 L C 2.402 179.302 176.870 0.051 0.000 1.074 32 L CA 3.095 57.936 54.840 0.001 0.000 0.745 32 L CB -0.326 41.744 42.059 0.017 0.000 0.898 32 L HN -0.054 8.062 8.230 -0.043 0.088 0.433 33 I N -1.091 119.546 120.570 0.111 0.000 2.361 33 I HA -0.404 4.025 4.170 0.431 0.000 0.251 33 I C 2.328 178.534 176.117 0.147 0.000 1.133 33 I CA 2.661 64.099 61.300 0.230 0.000 1.413 33 I CB -1.247 36.884 38.000 0.217 0.000 1.073 33 I HN 0.328 8.472 8.210 0.072 0.109 0.424 34 I N -1.892 118.705 120.570 0.045 0.000 2.406 34 I HA -0.375 3.845 4.170 0.083 0.000 0.249 34 I C 1.194 177.326 176.117 0.024 0.000 1.122 34 I CA 3.117 64.437 61.300 0.033 0.000 1.431 34 I CB -0.032 37.944 38.000 -0.039 0.000 1.087 34 I HN -0.107 8.083 8.210 -0.004 0.017 0.424 35 N N -2.068 116.628 118.700 -0.007 0.000 2.395 35 N HA 0.026 4.765 4.740 -0.001 0.000 0.175 35 N C 0.457 175.942 175.510 -0.042 0.000 1.029 35 N CA 1.673 54.713 53.050 -0.017 0.000 0.897 35 N CB 1.598 40.067 38.487 -0.030 0.000 0.991 35 N HN -0.449 7.922 8.380 -0.016 0.000 0.441 36 T N 2.861 117.346 114.554 -0.115 0.000 2.851 36 T HA -0.091 4.151 4.350 -0.180 0.000 0.298 36 T C -1.190 173.300 174.700 -0.350 0.000 0.977 36 T CA 1.156 63.082 62.100 -0.289 0.000 1.126 36 T CB 0.533 69.083 68.868 -0.530 0.000 0.916 36 T HN -0.096 7.991 8.240 -0.085 0.102 0.529 37 F N 8.299 128.035 119.950 -0.357 0.000 2.375 37 F HA 0.123 4.565 4.527 -0.143 0.000 0.362 37 F C -1.254 174.406 175.800 -0.233 0.000 1.129 37 F CA -0.386 57.484 58.000 -0.216 0.000 1.154 37 F CB 0.057 38.999 39.000 -0.096 0.000 1.205 37 F HN 0.290 8.567 8.300 -0.038 0.000 0.513 38 Y N 7.521 127.576 120.300 -0.408 0.000 2.453 38 Y HA 0.103 4.544 4.550 -0.182 0.000 0.344 38 Y C -0.841 174.736 175.900 -0.538 0.000 1.323 38 Y CA -1.147 56.761 58.100 -0.320 0.000 1.526 38 Y CB 1.583 39.962 38.460 -0.135 0.000 1.603 38 Y HN -0.232 7.819 8.280 -0.382 0.000 0.563 39 S N -2.125 113.546 115.700 -0.049 0.000 2.979 39 S HA 0.029 4.373 4.470 -0.210 0.000 0.243 39 S C -0.541 174.062 174.600 0.005 0.000 1.036 39 S CA 0.729 58.881 58.200 -0.080 0.000 0.846 39 S CB 0.908 64.112 63.200 0.007 0.000 0.806 39 S HN -0.013 8.363 8.310 0.111 0.000 0.568 40 N N 2.429 121.155 118.700 0.043 0.000 2.466 40 N HA -0.044 4.755 4.740 0.100 0.000 0.263 40 N C 0.037 175.592 175.510 0.076 0.000 1.178 40 N CA 0.140 53.231 53.050 0.069 0.000 0.983 40 N CB -0.825 37.690 38.487 0.048 0.000 1.331 40 N HN 0.012 8.417 8.380 0.042 0.000 0.500 41 K N 3.540 124.023 120.400 0.137 0.000 2.202 41 K HA -0.067 4.319 4.320 0.110 0.000 0.201 41 K C 1.013 177.760 176.600 0.245 0.000 1.051 41 K CA 1.847 58.233 56.287 0.164 0.000 0.977 41 K CB 0.625 33.243 32.500 0.196 0.000 0.792 41 K HN -0.285 8.062 8.250 0.163 0.000 0.469 42 E N -1.244 119.137 120.200 0.301 0.000 2.501 42 E HA -0.260 4.260 4.350 0.283 0.000 0.203 42 E C 1.691 178.344 176.600 0.089 0.000 1.072 42 E CA 2.335 58.888 56.400 0.255 0.000 0.885 42 E CB -1.416 28.463 29.700 0.298 0.000 0.813 42 E HN 0.427 8.988 8.360 0.334 0.000 0.556 43 I N -4.819 115.808 120.570 0.094 0.000 2.423 43 I HA -0.392 3.706 4.170 -0.119 0.000 0.254 43 I C 0.938 177.026 176.117 -0.047 0.000 1.151 43 I CA 2.050 63.331 61.300 -0.033 0.000 1.421 43 I CB -0.943 37.029 38.000 -0.046 0.000 1.079 43 I HN -0.617 7.558 8.210 0.131 0.114 0.431 44 F N -0.152 119.725 119.950 -0.121 0.000 2.161 44 F HA -0.340 4.119 4.527 -0.114 0.000 0.300 44 F C 0.769 176.498 175.800 -0.119 0.000 1.089 44 F CA 2.545 60.465 58.000 -0.134 0.000 1.282 44 F CB -1.243 37.652 39.000 -0.176 0.000 1.010 44 F HN -0.465 8.028 8.300 0.370 0.029 0.485 45 L N -0.332 120.133 121.223 -1.263 0.000 2.056 45 L HA -0.422 3.353 4.340 -0.942 0.000 0.207 45 L C 1.878 178.523 176.870 -0.374 0.000 1.078 45 L CA 2.877 57.145 54.840 -0.953 0.000 0.749 45 L CB -0.437 41.069 42.059 -0.921 0.000 0.901 45 L HN -0.408 6.889 8.230 -1.360 0.117 0.433 46 R N -0.340 120.017 120.500 -0.238 0.000 2.083 46 R HA -0.405 3.904 4.340 -0.052 0.000 0.237 46 R C 2.201 178.445 176.300 -0.093 0.000 1.137 46 R CA 3.514 59.553 56.100 -0.101 0.000 0.951 46 R CB -0.313 29.931 30.300 -0.095 0.000 0.851 46 R HN -0.753 7.363 8.270 -0.257 0.000 0.434 47 E N -0.999 119.139 120.200 -0.104 0.000 2.058 47 E HA -0.316 4.001 4.350 -0.054 0.000 0.194 47 E C 2.754 179.328 176.600 -0.043 0.000 0.997 47 E CA 2.788 59.151 56.400 -0.062 0.000 0.801 47 E CB -0.528 29.146 29.700 -0.043 0.000 0.746 47 E HN -0.152 8.131 8.360 -0.129 0.000 0.450 48 L N -0.771 120.414 121.223 -0.064 0.000 1.994 48 L HA -0.349 4.007 4.340 0.027 0.000 0.208 48 L C 2.684 179.532 176.870 -0.037 0.000 1.071 48 L CA 3.202 58.023 54.840 -0.031 0.000 0.745 48 L CB -0.090 41.937 42.059 -0.054 0.000 0.892 48 L HN -0.231 7.931 8.230 -0.113 0.000 0.431 49 I N -0.704 119.828 120.570 -0.064 0.000 2.226 49 I HA -0.584 3.567 4.170 -0.032 0.000 0.245 49 I C 2.347 178.456 176.117 -0.014 0.000 1.100 49 I CA 4.116 65.393 61.300 -0.038 0.000 1.374 49 I CB -0.297 37.679 38.000 -0.040 0.000 1.057 49 I HN 0.237 8.383 8.210 -0.106 0.000 0.413 50 S N -0.180 115.513 115.700 -0.012 0.000 2.382 50 S HA -0.238 4.248 4.470 0.027 0.000 0.228 50 S C 2.553 177.148 174.600 -0.009 0.000 1.027 50 S CA 3.342 61.544 58.200 0.003 0.000 0.991 50 S CB -0.425 62.773 63.200 -0.003 0.000 0.823 50 S HN 0.404 8.591 8.310 -0.027 0.106 0.469 51 N N 1.290 119.977 118.700 -0.022 0.000 2.331 51 N HA -0.110 4.607 4.740 -0.038 0.000 0.180 51 N C 2.013 177.492 175.510 -0.051 0.000 1.019 51 N CA 2.664 55.693 53.050 -0.036 0.000 0.881 51 N CB -0.192 38.277 38.487 -0.029 0.000 0.972 51 N HN -0.159 8.115 8.380 -0.021 0.094 0.435 52 S N 0.564 116.236 115.700 -0.046 0.000 2.383 52 S HA -0.188 4.233 4.470 -0.081 0.000 0.227 52 S C 1.749 176.282 174.600 -0.112 0.000 1.026 52 S CA 3.440 61.597 58.200 -0.071 0.000 0.981 52 S CB -0.364 62.805 63.200 -0.052 0.000 0.818 52 S HN 0.033 8.186 8.310 -0.032 0.138 0.472 53 S N 1.814 117.474 115.700 -0.067 0.000 2.402 53 S HA -0.310 4.030 4.470 -0.217 0.000 0.229 53 S C 1.517 176.054 174.600 -0.104 0.000 1.021 53 S CA 3.559 61.714 58.200 -0.075 0.000 0.974 53 S CB -0.575 62.690 63.200 0.107 0.000 0.800 53 S HN -0.275 7.931 8.310 -0.026 0.089 0.484 54 D N 2.037 122.403 120.400 -0.057 0.000 2.117 54 D HA -0.288 4.350 4.640 -0.004 0.000 0.197 54 D C 1.507 177.758 176.300 -0.082 0.000 0.987 54 D CA 3.158 57.133 54.000 -0.042 0.000 0.829 54 D CB 0.023 40.802 40.800 -0.035 0.000 0.961 54 D HN -0.639 7.589 8.370 -0.045 0.115 0.460 55 A N -1.235 121.513 122.820 -0.119 0.000 1.933 55 A HA -0.310 3.951 4.320 -0.098 0.000 0.218 55 A C 1.928 179.398 177.584 -0.190 0.000 1.175 55 A CA 3.048 55.005 52.037 -0.133 0.000 0.628 55 A CB -0.341 18.579 19.000 -0.133 0.000 0.814 55 A HN -0.699 7.291 8.150 -0.116 0.090 0.444 56 L N -2.086 118.949 121.223 -0.313 0.000 2.023 56 L HA -0.421 3.698 4.340 -0.369 0.000 0.205 56 L C 2.071 178.731 176.870 -0.350 0.000 1.073 56 L CA 3.331 57.876 54.840 -0.492 0.000 0.745 56 L CB -0.256 41.136 42.059 -1.112 0.000 0.900 56 L HN -0.651 7.274 8.230 -0.319 0.114 0.435 57 D N -0.738 119.516 120.400 -0.245 0.000 2.149 57 D HA -0.263 4.369 4.640 -0.013 0.000 0.198 57 D C 2.604 178.859 176.300 -0.075 0.000 0.990 57 D CA 3.278 57.241 54.000 -0.062 0.000 0.839 57 D CB -0.185 40.653 40.800 0.064 0.000 0.948 57 D HN 0.169 8.360 8.370 -0.299 0.000 0.460 58 K N -1.775 118.614 120.400 -0.019 0.000 2.057 58 K HA -0.292 4.143 4.320 0.192 0.000 0.206 58 K C 2.239 178.851 176.600 0.021 0.000 1.050 58 K CA 3.302 59.624 56.287 0.058 0.000 0.935 58 K CB 0.106 32.619 32.500 0.021 0.000 0.715 58 K HN -0.254 7.943 8.250 -0.060 0.018 0.439 59 I N -0.057 120.476 120.570 -0.062 0.000 2.226 59 I HA -0.438 3.701 4.170 -0.051 0.000 0.245 59 I C 0.706 176.792 176.117 -0.051 0.000 1.100 59 I CA 1.503 62.761 61.300 -0.069 0.000 1.374 59 I CB -0.103 37.828 38.000 -0.114 0.000 1.057 59 I HN -0.480 7.670 8.210 -0.102 0.000 0.413 60 R N 0.230 120.674 120.500 -0.094 0.000 2.122 60 R HA -0.445 3.855 4.340 -0.066 0.000 0.236 60 R C 2.559 178.818 176.300 -0.068 0.000 1.129 60 R CA 3.799 59.831 56.100 -0.114 0.000 0.925 60 R CB -0.441 29.737 30.300 -0.204 0.000 0.850 60 R HN -0.237 7.961 8.270 -0.120 0.000 0.431 61 Y N -2.504 117.804 120.300 0.014 0.000 2.181 61 Y HA -0.383 4.174 4.550 0.012 0.000 0.284 61 Y C 2.568 178.469 175.900 0.000 0.000 1.179 61 Y CA 2.672 60.777 58.100 0.008 0.000 1.179 61 Y CB -1.242 37.222 38.460 0.006 0.000 0.973 61 Y HN -0.528 7.526 8.280 -0.378 0.000 0.519 62 E N -2.993 117.290 120.200 0.139 0.000 2.072 62 E HA -0.218 4.179 4.350 0.080 0.000 0.190 62 E C 2.859 179.486 176.600 0.044 0.000 0.982 62 E CA 2.548 58.992 56.400 0.073 0.000 0.803 62 E CB -0.606 29.116 29.700 0.037 0.000 0.755 62 E HN -0.515 7.812 8.360 0.121 0.105 0.453 63 T N -1.207 113.362 114.554 0.025 0.000 3.035 63 T HA -0.084 4.477 4.350 0.008 -0.206 0.268 63 T C 2.063 176.778 174.700 0.023 0.000 1.109 63 T CA 2.921 65.028 62.100 0.012 0.000 1.119 63 T CB -0.378 68.486 68.868 -0.006 0.000 0.900 63 T HN 0.060 8.225 8.240 0.019 0.087 0.503 64 L N 0.314 121.563 121.223 0.043 0.000 2.056 64 L HA -0.202 4.159 4.340 0.035 0.000 0.207 64 L C 1.230 178.127 176.870 0.046 0.000 1.078 64 L CA 2.819 57.690 54.840 0.051 0.000 0.749 64 L CB -0.389 41.725 42.059 0.092 0.000 0.901 64 L HN 0.067 8.185 8.230 0.058 0.146 0.433 65 T N -6.595 107.989 114.554 0.050 0.000 3.009 65 T HA -0.068 4.301 4.350 0.032 0.000 0.258 65 T C -0.115 174.601 174.700 0.025 0.000 1.063 65 T CA 1.239 63.360 62.100 0.036 0.000 1.139 65 T CB 0.581 69.471 68.868 0.036 0.000 0.890 65 T HN -0.691 7.586 8.240 0.062 0.000 0.471 66 D N 1.252 121.666 120.400 0.024 0.000 2.375 66 D HA 0.463 5.112 4.640 0.015 0.000 0.259 66 D C -1.274 175.032 176.300 0.011 0.000 1.235 66 D CA -3.041 50.969 54.000 0.016 0.000 0.924 66 D CB 1.608 42.418 40.800 0.016 0.000 1.143 66 D HN -0.354 7.959 8.370 0.029 0.074 0.529 67 P HA 0.010 4.532 4.420 0.004 -0.100 0.226 67 P C 0.950 178.251 177.300 0.001 0.000 1.153 67 P CA 1.062 64.165 63.100 0.005 0.000 0.777 67 P CB 0.510 32.214 31.700 0.006 0.000 0.794 68 S N -1.098 114.604 115.700 0.002 0.000 2.469 68 S HA -0.226 4.244 4.470 -0.000 0.000 0.238 68 S C 1.321 175.918 174.600 -0.005 0.000 0.998 68 S CA 3.056 61.256 58.200 0.000 0.000 0.957 68 S CB -0.843 62.359 63.200 0.003 0.000 0.764 68 S HN -0.316 8.089 8.310 0.005 -0.091 0.514 69 K N 1.222 121.617 120.400 -0.009 0.000 2.444 69 K HA 0.038 4.345 4.320 -0.022 0.000 0.193 69 K C -0.304 176.279 176.600 -0.029 0.000 1.024 69 K CA 0.665 56.939 56.287 -0.022 0.000 1.077 69 K CB -0.439 32.045 32.500 -0.028 0.000 0.833 69 K HN -0.718 7.469 8.250 -0.005 0.060 0.517 70 L N -2.239 118.973 121.223 -0.019 0.000 2.509 70 L HA -0.083 4.241 4.340 -0.026 0.000 0.222 70 L C 1.098 177.958 176.870 -0.016 0.000 1.123 70 L CA 1.143 55.973 54.840 -0.018 0.000 0.856 70 L CB 0.013 42.067 42.059 -0.009 0.000 0.985 70 L HN 0.029 8.070 8.230 -0.012 0.182 0.456 71 D N -0.133 120.258 120.400 -0.014 0.000 2.350 71 D HA -0.153 4.482 4.640 -0.008 0.000 0.216 71 D C 0.584 176.874 176.300 -0.017 0.000 0.968 71 D CA 2.446 56.439 54.000 -0.012 0.000 0.894 71 D CB -0.065 40.730 40.800 -0.009 0.000 0.909 71 D HN -0.558 7.753 8.370 -0.014 0.050 0.520 72 S N -3.182 112.502 115.700 -0.027 0.000 2.593 72 S HA 0.001 4.453 4.470 -0.030 0.000 0.217 72 S C -0.683 173.894 174.600 -0.038 0.000 0.966 72 S CA 0.410 58.588 58.200 -0.036 0.000 0.914 72 S CB 0.823 63.992 63.200 -0.051 0.000 0.776 72 S HN -0.682 7.535 8.310 -0.029 0.076 0.523 73 G N -0.251 108.531 108.800 -0.029 0.000 2.693 73 G HA2 -0.134 3.819 3.960 -0.012 0.000 0.290 73 G HA3 -0.134 3.804 3.960 -0.037 0.000 0.290 73 G C -1.940 172.950 174.900 -0.017 0.000 1.378 73 G CA -0.350 44.736 45.100 -0.024 0.000 1.120 73 G HN -0.539 7.542 8.290 -0.024 0.195 0.609 74 K N 2.225 122.627 120.400 0.003 0.000 2.288 74 K HA -0.160 4.162 4.320 0.003 0.000 0.201 74 K C 0.308 176.928 176.600 0.035 0.000 1.048 74 K CA 1.416 57.711 56.287 0.013 0.000 0.956 74 K CB 0.185 32.696 32.500 0.018 0.000 0.746 74 K HN 0.471 8.725 8.250 0.008 0.000 0.461 75 E N -0.487 119.746 120.200 0.055 0.000 2.398 75 E HA -0.048 4.395 4.350 0.156 0.000 0.263 75 E C -1.651 174.989 176.600 0.067 0.000 1.046 75 E CA 0.323 56.800 56.400 0.128 0.000 0.908 75 E CB 0.859 30.693 29.700 0.223 0.000 0.963 75 E HN -0.465 7.889 8.360 0.043 0.032 0.431 76 L N 0.954 122.269 121.223 0.154 0.000 2.514 76 L HA 0.180 4.470 4.340 -0.083 0.000 0.257 76 L C -2.172 174.804 176.870 0.176 0.000 1.101 76 L CA -0.712 54.162 54.840 0.056 0.000 0.911 76 L CB -0.186 41.923 42.059 0.084 0.000 1.162 76 L HN 0.086 8.482 8.230 0.276 0.000 0.477 77 H N -2.665 116.416 119.070 0.019 0.000 3.046 77 H HA 0.432 5.091 4.556 0.089 -0.049 0.361 77 H C -2.126 173.219 175.328 0.027 0.000 1.235 77 H CA -2.129 53.951 56.048 0.052 0.000 1.146 77 H CB 2.591 32.397 29.762 0.073 0.000 1.859 77 H HN 0.325 8.404 8.280 -0.333 0.000 0.548 78 I N -0.488 120.156 120.570 0.123 0.000 2.353 78 I HA 0.376 4.719 4.170 -0.012 -0.180 0.293 78 I C -0.962 175.246 176.117 0.151 0.000 0.992 78 I CA -0.801 60.537 61.300 0.063 0.000 1.268 78 I CB 1.096 39.120 38.000 0.039 0.000 1.387 78 I HN 0.354 8.677 8.210 0.188 0.000 0.478 79 N N 6.357 125.150 118.700 0.154 0.000 2.321 79 N HA 0.705 5.796 4.740 0.279 -0.184 0.299 79 N C -1.329 174.298 175.510 0.194 0.000 1.048 79 N CA -1.531 51.683 53.050 0.274 0.000 0.836 79 N CB 2.878 41.618 38.487 0.422 0.000 1.269 79 N HN 0.882 9.194 8.380 0.082 0.117 0.486 80 L N 2.663 123.999 121.223 0.189 0.000 2.298 80 L HA 0.425 4.938 4.340 0.104 -0.110 0.284 80 L C -1.585 175.403 176.870 0.197 0.000 1.013 80 L CA -0.527 54.392 54.840 0.131 0.000 0.824 80 L CB 1.314 43.407 42.059 0.056 0.000 1.221 80 L HN 1.045 9.267 8.230 0.172 0.111 0.418 81 I N 2.655 123.323 120.570 0.164 0.000 2.437 81 I HA 0.592 4.896 4.170 0.223 0.000 0.279 81 I C -2.562 173.616 176.117 0.102 0.000 1.028 81 I CA -3.175 58.222 61.300 0.161 0.000 1.142 81 I CB 2.023 40.091 38.000 0.113 0.000 1.266 81 I HN 1.087 9.265 8.210 0.120 0.104 0.461 82 P HA 0.385 4.855 4.420 0.082 0.000 0.278 82 P C -1.263 176.078 177.300 0.068 0.000 1.266 82 P CA -1.306 61.844 63.100 0.084 0.000 0.807 82 P CB 1.343 33.097 31.700 0.089 0.000 1.094 83 N N -0.707 118.027 118.700 0.057 0.000 2.747 83 N HA 0.079 4.974 4.740 0.045 -0.128 0.262 83 N C -0.591 174.945 175.510 0.043 0.000 1.261 83 N CA 0.135 53.212 53.050 0.044 0.000 0.809 83 N CB 1.941 40.445 38.487 0.029 0.000 1.450 83 N HN -0.180 8.237 8.380 0.063 0.000 0.560 84 K N 4.730 125.155 120.400 0.043 0.000 2.439 84 K HA -0.132 4.214 4.320 0.044 0.000 0.197 84 K C 1.140 177.761 176.600 0.034 0.000 1.041 84 K CA 2.277 58.587 56.287 0.039 0.000 0.970 84 K CB 0.071 32.592 32.500 0.035 0.000 0.773 84 K HN 0.848 9.587 8.250 0.043 -0.463 0.479 85 Q N -1.500 118.319 119.800 0.032 0.000 2.107 85 Q HA -0.077 4.280 4.340 0.028 0.000 0.195 85 Q C 1.136 177.155 176.000 0.032 0.000 0.964 85 Q CA 2.343 58.163 55.803 0.029 0.000 0.833 85 Q CB 0.413 29.166 28.738 0.026 0.000 0.910 85 Q HN -0.356 8.071 8.270 0.033 -0.138 0.465 86 D N -3.342 117.077 120.400 0.032 0.000 2.349 86 D HA -0.013 4.651 4.640 0.040 0.000 0.215 86 D C 0.148 176.474 176.300 0.043 0.000 1.016 86 D CA 0.118 54.139 54.000 0.036 0.000 0.870 86 D CB 1.050 41.866 40.800 0.026 0.000 0.917 86 D HN -0.059 8.797 8.370 0.029 -0.469 0.524 87 R N -2.341 118.184 120.500 0.041 0.000 3.531 87 R HA -0.402 4.019 4.340 0.050 -0.051 0.280 87 R C -2.361 173.962 176.300 0.039 0.000 1.130 87 R CA 1.111 57.240 56.100 0.049 0.000 0.757 87 R CB -2.916 27.420 30.300 0.060 0.000 1.218 87 R HN -0.325 7.909 8.270 0.038 0.058 0.454 88 T N -6.877 107.685 114.554 0.013 0.000 2.893 88 T HA 0.657 5.141 4.350 -0.045 -0.161 0.291 88 T C -2.458 172.244 174.700 0.003 0.000 1.028 88 T CA -2.233 59.846 62.100 -0.035 0.000 0.995 88 T CB 3.438 72.237 68.868 -0.116 0.000 1.051 88 T HN -0.598 7.654 8.240 0.020 0.000 0.470 89 L N 3.986 125.213 121.223 0.006 0.000 2.324 89 L HA 0.422 4.800 4.340 0.064 0.000 0.274 89 L C -1.470 175.420 176.870 0.033 0.000 1.012 89 L CA -1.203 53.670 54.840 0.054 0.000 0.859 89 L CB 2.219 44.350 42.059 0.120 0.000 1.224 89 L HN 0.691 8.796 8.230 -0.029 0.108 0.429 90 T N 10.448 125.021 114.554 0.031 0.000 2.845 90 T HA 0.572 5.144 4.350 0.013 -0.214 0.288 90 T C -0.806 173.922 174.700 0.046 0.000 0.980 90 T CA 0.584 62.700 62.100 0.026 0.000 1.071 90 T CB 1.039 69.916 68.868 0.016 0.000 0.941 90 T HN 0.874 9.137 8.240 0.039 0.000 0.487 91 I N 6.155 126.748 120.570 0.038 0.000 2.478 91 I HA 0.533 4.894 4.170 0.051 -0.160 0.287 91 I C -1.715 174.418 176.117 0.027 0.000 1.042 91 I CA -0.653 60.669 61.300 0.037 0.000 1.067 91 I CB 3.090 41.104 38.000 0.023 0.000 1.233 91 I HN 1.007 9.128 8.210 0.033 0.109 0.431 92 V N 7.276 127.206 119.914 0.026 0.000 2.604 92 V HA 0.924 5.271 4.120 -0.010 -0.233 0.305 92 V C -1.762 174.312 176.094 -0.034 0.000 1.043 92 V CA -2.242 60.055 62.300 -0.005 0.000 0.888 92 V CB 3.054 34.870 31.823 -0.012 0.000 0.995 92 V HN 1.068 9.288 8.190 0.049 0.000 0.429 93 D N 3.929 124.287 120.400 -0.070 0.000 2.780 93 D HA 0.597 5.306 4.640 -0.124 -0.143 0.242 93 D C 0.408 176.616 176.300 -0.153 0.000 1.135 93 D CA -1.473 52.458 54.000 -0.114 0.000 0.859 93 D CB 3.960 44.697 40.800 -0.104 0.000 1.530 93 D HN 0.706 9.039 8.370 -0.062 0.000 0.493 94 T N 4.651 119.077 114.554 -0.213 0.000 3.380 94 T HA 0.097 4.342 4.350 -0.175 0.000 0.250 94 T C 0.792 175.385 174.700 -0.179 0.000 1.082 94 T CA 0.437 62.414 62.100 -0.204 0.000 0.968 94 T CB -1.316 67.401 68.868 -0.253 0.000 1.027 94 T HN -0.146 7.945 8.240 -0.248 0.000 0.575 95 G N 1.157 109.848 108.800 -0.181 0.000 2.583 95 G HA2 0.054 3.895 3.960 -0.197 0.000 0.275 95 G HA3 0.054 3.941 3.960 -0.174 -0.031 0.275 95 G C -0.421 174.384 174.900 -0.160 0.000 1.342 95 G CA -0.841 44.152 45.100 -0.178 0.000 1.030 95 G HN -0.196 8.358 8.290 -0.178 -0.371 0.520 96 I N 0.777 121.242 120.570 -0.174 0.000 3.428 96 I HA -0.092 3.929 4.170 -0.248 0.000 0.286 96 I C -0.183 175.784 176.117 -0.250 0.000 1.287 96 I CA 0.002 61.145 61.300 -0.262 0.000 1.396 96 I CB 0.122 37.916 38.000 -0.344 0.000 1.062 96 I HN -0.520 7.595 8.210 -0.158 0.000 0.471 97 G N -1.968 106.766 108.800 -0.109 0.000 2.601 97 G HA2 -0.439 3.501 3.960 -0.034 0.000 0.252 97 G HA3 -0.439 3.525 3.960 0.007 0.000 0.252 97 G C -1.200 173.796 174.900 0.160 0.000 1.294 97 G CA -0.077 45.019 45.100 -0.007 0.000 0.912 97 G HN -0.214 7.943 8.290 -0.115 0.065 0.574 98 M N 1.078 120.789 119.600 0.186 0.000 2.690 98 M HA 0.206 4.812 4.480 0.209 0.000 0.302 98 M C -1.417 174.938 176.300 0.092 0.000 1.234 98 M CA -1.050 54.335 55.300 0.141 0.000 0.853 98 M CB 5.200 37.761 32.600 -0.065 0.000 1.748 98 M HN 0.007 8.368 8.290 0.118 0.000 0.469 99 T N -3.097 111.360 114.554 -0.162 0.000 2.849 99 T HA 0.250 4.661 4.350 0.046 -0.033 0.276 99 T C 0.774 175.401 174.700 -0.121 0.000 0.971 99 T CA -1.742 60.275 62.100 -0.138 0.000 0.949 99 T CB 2.085 70.769 68.868 -0.307 0.000 1.093 99 T HN 0.133 8.535 8.240 -0.250 -0.312 0.545 100 K N 0.839 121.077 120.400 -0.269 0.000 2.097 100 K HA -0.420 3.614 4.320 -0.475 0.000 0.206 100 K C 1.861 178.306 176.600 -0.258 0.000 1.049 100 K CA 4.077 60.045 56.287 -0.531 0.000 0.933 100 K CB -0.136 31.725 32.500 -1.066 0.000 0.717 100 K HN 0.679 9.256 8.250 -0.187 -0.440 0.442 101 A N -2.086 120.607 122.820 -0.212 0.000 1.898 101 A HA -0.226 4.003 4.320 -0.152 0.000 0.216 101 A C 2.019 179.506 177.584 -0.161 0.000 1.181 101 A CA 3.124 55.064 52.037 -0.163 0.000 0.620 101 A CB -0.978 17.938 19.000 -0.139 0.000 0.819 101 A HN 0.216 8.228 8.150 -0.217 0.008 0.442 102 D N -0.230 120.064 120.400 -0.177 0.000 2.097 102 D HA -0.270 4.269 4.640 -0.170 0.000 0.195 102 D C 2.495 178.664 176.300 -0.217 0.000 0.989 102 D CA 3.723 57.612 54.000 -0.184 0.000 0.827 102 D CB -0.120 40.569 40.800 -0.186 0.000 0.966 102 D HN -0.458 7.712 8.370 -0.191 0.085 0.456 103 L N -0.843 120.257 121.223 -0.205 0.000 1.989 103 L HA -0.368 3.689 4.340 -0.471 0.000 0.211 103 L C 2.777 179.535 176.870 -0.186 0.000 1.071 103 L CA 3.307 57.985 54.840 -0.271 0.000 0.749 103 L CB -0.071 41.940 42.059 -0.080 0.000 0.890 103 L HN 0.075 8.204 8.230 -0.167 0.000 0.431 104 I N -2.154 118.397 120.570 -0.032 0.000 2.252 104 I HA -0.494 3.869 4.170 0.321 0.000 0.245 104 I C 2.396 178.452 176.117 -0.101 0.000 1.102 104 I CA 4.027 65.339 61.300 0.020 0.000 1.385 104 I CB -0.280 37.619 38.000 -0.168 0.000 1.064 104 I HN -0.226 7.948 8.210 -0.059 0.000 0.414 105 N N -0.166 118.447 118.700 -0.145 0.000 2.083 105 N HA -0.258 4.414 4.740 -0.114 0.000 0.190 105 N C 2.254 177.692 175.510 -0.120 0.000 1.047 105 N CA 3.228 56.203 53.050 -0.126 0.000 0.845 105 N CB -0.684 37.731 38.487 -0.120 0.000 1.025 105 N HN 0.215 8.504 8.380 -0.151 0.000 0.428 106 N N 1.220 119.820 118.700 -0.167 0.000 2.084 106 N HA -0.175 4.494 4.740 -0.118 0.000 0.190 106 N C 0.423 175.810 175.510 -0.205 0.000 1.030 106 N CA 2.547 55.488 53.050 -0.182 0.000 0.849 106 N CB 0.518 38.860 38.487 -0.242 0.000 1.012 106 N HN -0.041 8.131 8.380 -0.186 0.097 0.423 107 L N -1.807 119.202 121.223 -0.355 0.000 2.466 107 L HA 0.130 4.350 4.340 -0.201 0.000 0.248 107 L C -0.612 176.079 176.870 -0.297 0.000 1.240 107 L CA -0.118 54.484 54.840 -0.396 0.000 1.180 107 L CB -2.204 39.193 42.059 -1.104 0.000 1.413 107 L HN -0.695 7.295 8.230 -0.401 0.000 0.406 108 G N 1.511 110.294 108.800 -0.029 0.000 3.532 108 G HA2 -0.306 3.800 3.960 0.244 0.000 0.196 108 G HA3 -0.306 3.212 3.960 -0.737 0.000 0.196 108 G C 0.973 175.974 174.900 0.167 0.000 2.074 108 G CA 0.750 45.807 45.100 -0.072 0.000 1.323 108 G HN -0.219 8.092 8.290 0.105 0.042 0.439 109 T N 5.400 120.032 114.554 0.129 0.000 2.639 109 T HA -0.168 4.266 4.350 0.139 0.000 0.261 109 T C 0.679 175.417 174.700 0.064 0.000 1.053 109 T CA 3.748 65.905 62.100 0.096 0.000 1.158 109 T CB 0.245 69.112 68.868 -0.001 0.000 0.863 109 T HN -0.518 7.767 8.240 0.076 0.000 0.413 110 I N 2.346 122.931 120.570 0.025 0.000 2.742 110 I HA -0.222 3.958 4.170 0.017 0.000 0.287 110 I C -0.502 175.648 176.117 0.056 0.000 1.186 110 I CA -0.217 61.096 61.300 0.022 0.000 1.417 110 I CB -0.915 37.080 38.000 -0.009 0.000 1.377 110 I HN 0.089 8.182 8.210 -0.004 0.115 0.556 111 A N 8.356 131.210 122.820 0.055 0.000 2.407 111 A HA -0.048 4.324 4.320 0.087 0.000 0.248 111 A C -0.503 177.119 177.584 0.064 0.000 1.082 111 A CA 0.253 52.331 52.037 0.068 0.000 0.785 111 A CB 0.781 19.816 19.000 0.057 0.000 1.020 111 A HN 0.070 8.246 8.150 0.043 0.000 0.489 112 K N 1.416 121.864 120.400 0.079 0.000 2.358 112 K HA 0.216 4.577 4.320 0.068 0.000 0.260 112 K C 0.601 177.252 176.600 0.085 0.000 0.956 112 K CA -1.284 55.053 56.287 0.083 0.000 0.834 112 K CB 1.187 33.751 32.500 0.106 0.000 1.102 112 K HN 0.039 8.341 8.250 0.086 0.000 0.431 113 S N 4.265 120.015 115.700 0.083 0.000 2.440 113 S HA -0.362 4.151 4.470 0.073 0.000 0.238 113 S C 1.678 176.357 174.600 0.133 0.000 1.010 113 S CA 2.851 61.105 58.200 0.090 0.000 0.972 113 S CB -0.268 62.982 63.200 0.082 0.000 0.774 113 S HN 0.778 9.132 8.310 0.073 0.000 0.501 114 G N 1.509 110.412 108.800 0.172 0.000 2.421 114 G HA2 -0.101 4.140 3.960 0.470 0.000 0.217 114 G HA3 -0.101 4.359 3.960 0.320 -0.309 0.217 114 G C 0.846 175.828 174.900 0.136 0.000 1.143 114 G CA 1.772 47.046 45.100 0.290 0.000 0.784 114 G HN 0.626 8.959 8.290 0.142 0.042 0.541 115 T N 4.001 118.617 114.554 0.103 0.000 2.777 115 T HA -0.371 4.034 4.350 0.092 0.000 0.266 115 T C 1.832 176.552 174.700 0.034 0.000 1.040 115 T CA 5.385 67.531 62.100 0.077 0.000 1.141 115 T CB -0.227 68.689 68.868 0.080 0.000 0.868 115 T HN -0.351 7.821 8.240 0.115 0.137 0.444 116 K N 1.074 121.490 120.400 0.026 0.000 2.026 116 K HA -0.330 3.987 4.320 -0.005 0.000 0.208 116 K C 2.155 178.725 176.600 -0.050 0.000 1.048 116 K CA 3.515 59.802 56.287 -0.000 0.000 0.929 116 K CB -0.266 32.246 32.500 0.022 0.000 0.713 116 K HN -0.682 7.599 8.250 0.050 0.000 0.439 117 A N -0.802 121.987 122.820 -0.051 0.000 1.930 117 A HA -0.170 4.126 4.320 -0.041 0.000 0.217 117 A C 1.867 179.189 177.584 -0.437 0.000 1.175 117 A CA 2.790 54.764 52.037 -0.104 0.000 0.627 117 A CB -0.755 18.324 19.000 0.133 0.000 0.815 117 A HN -0.281 7.877 8.150 0.012 0.000 0.443 118 F N 0.427 119.809 119.950 -0.947 0.000 2.126 118 F HA -0.420 3.038 4.527 -1.783 0.000 0.299 118 F C 1.364 176.898 175.800 -0.442 0.000 1.096 118 F CA 3.168 60.510 58.000 -1.095 0.000 1.255 118 F CB -0.026 38.514 39.000 -0.765 0.000 0.997 118 F HN 0.114 8.035 8.300 -0.455 0.106 0.479 119 M N -0.252 119.145 119.600 -0.339 0.000 2.117 119 M HA -0.520 3.726 4.480 -0.390 0.000 0.262 119 M C 1.572 177.718 176.300 -0.256 0.000 1.065 119 M CA 4.484 59.609 55.300 -0.293 0.000 1.114 119 M CB -0.124 32.397 32.600 -0.131 0.000 1.361 119 M HN -0.598 7.580 8.290 -0.178 0.005 0.408 120 E N -0.708 119.377 120.200 -0.191 0.000 2.106 120 E HA -0.295 3.997 4.350 -0.098 0.000 0.192 120 E C 2.074 178.599 176.600 -0.125 0.000 0.984 120 E CA 2.559 58.887 56.400 -0.120 0.000 0.806 120 E CB -0.375 29.287 29.700 -0.063 0.000 0.750 120 E HN -0.619 7.558 8.360 -0.182 0.074 0.458 121 A N -0.300 122.414 122.820 -0.177 0.000 1.933 121 A HA -0.209 4.111 4.320 -0.001 0.000 0.218 121 A C 2.300 179.793 177.584 -0.152 0.000 1.175 121 A CA 3.004 54.984 52.037 -0.095 0.000 0.628 121 A CB -0.751 18.250 19.000 0.002 0.000 0.814 121 A HN 0.470 8.263 8.150 -0.261 0.201 0.444 122 L N -3.204 117.826 121.223 -0.321 0.000 2.083 122 L HA -0.390 3.812 4.340 -0.231 0.000 0.209 122 L C 2.980 179.772 176.870 -0.130 0.000 1.083 122 L CA 2.796 57.473 54.840 -0.272 0.000 0.752 122 L CB -0.378 41.454 42.059 -0.379 0.000 0.899 122 L HN -0.120 7.737 8.230 -0.464 0.094 0.433 123 Q N -2.328 117.401 119.800 -0.118 0.000 2.123 123 Q HA -0.208 4.098 4.340 -0.056 0.000 0.199 123 Q C 1.435 177.412 176.000 -0.039 0.000 0.966 123 Q CA 1.918 57.682 55.803 -0.066 0.000 0.845 123 Q CB -0.230 28.471 28.738 -0.061 0.000 0.907 123 Q HN -0.475 7.607 8.270 -0.152 0.096 0.439 124 A N -2.070 120.729 122.820 -0.035 0.000 2.066 124 A HA -0.063 4.254 4.320 -0.005 0.000 0.218 124 A C 0.114 177.699 177.584 0.001 0.000 1.157 124 A CA 0.753 52.785 52.037 -0.008 0.000 0.670 124 A CB 0.946 19.951 19.000 0.008 0.000 0.804 124 A HN -0.168 7.856 8.150 -0.054 0.093 0.453 125 G N -3.387 105.409 108.800 -0.007 0.000 2.857 125 G HA2 -0.223 3.739 3.960 0.004 0.000 0.166 125 G HA3 -0.223 3.746 3.960 0.015 0.000 0.166 125 G C -1.471 173.442 174.900 0.023 0.000 1.060 125 G CA -0.277 44.828 45.100 0.008 0.000 0.976 125 G HN -0.397 7.730 8.290 -0.029 0.146 0.549 126 A N -0.136 122.690 122.820 0.011 0.000 2.452 126 A HA 0.161 4.526 4.320 0.076 0.000 0.285 126 A C -1.644 175.969 177.584 0.049 0.000 1.209 126 A CA -0.836 51.231 52.037 0.050 0.000 0.940 126 A CB 2.218 21.257 19.000 0.066 0.000 1.440 126 A HN -0.311 7.823 8.150 -0.026 0.000 0.480 127 D N -3.358 117.095 120.400 0.089 0.000 2.566 127 D HA 0.181 4.845 4.640 0.040 0.000 0.254 127 D C 0.337 176.682 176.300 0.076 0.000 1.090 127 D CA -0.846 53.191 54.000 0.061 0.000 1.034 127 D CB 2.025 42.855 40.800 0.051 0.000 1.434 127 D HN -0.200 8.259 8.370 0.148 0.000 0.509 128 I N -1.017 119.524 120.570 -0.049 0.000 2.876 128 I HA -0.090 4.089 4.170 0.016 0.000 0.264 128 I C 0.400 176.489 176.117 -0.047 0.000 1.204 128 I CA 0.915 62.141 61.300 -0.124 0.000 1.485 128 I CB -0.042 37.682 38.000 -0.461 0.000 1.103 128 I HN 0.144 8.313 8.210 -0.070 0.000 0.446 129 S N 0.560 116.241 115.700 -0.032 0.000 2.660 129 S HA -0.113 4.300 4.470 -0.094 0.000 0.228 129 S C -0.762 173.816 174.600 -0.036 0.000 0.966 129 S CA 2.530 60.695 58.200 -0.058 0.000 0.940 129 S CB -0.215 62.947 63.200 -0.064 0.000 0.773 129 S HN -0.125 8.474 8.310 -0.020 -0.301 0.535 130 M N -3.975 115.645 119.600 0.034 0.000 2.603 130 M HA 0.313 4.783 4.480 -0.017 0.000 0.380 130 M C -0.778 175.545 176.300 0.038 0.000 1.158 130 M CA -0.502 54.832 55.300 0.057 0.000 0.921 130 M CB -0.048 32.636 32.600 0.139 0.000 1.417 130 M HN -0.893 7.324 8.290 0.083 0.123 0.523 131 I N 1.875 122.359 120.570 -0.144 0.000 2.315 131 I HA -0.350 3.021 4.170 -1.332 0.000 0.248 131 I C 0.382 176.312 176.117 -0.312 0.000 1.117 131 I CA 2.953 63.921 61.300 -0.553 0.000 1.404 131 I CB 0.621 38.370 38.000 -0.418 0.000 1.071 131 I HN -0.465 7.628 8.210 -0.091 0.063 0.419 132 G N -3.376 105.336 108.800 -0.146 0.000 2.650 132 G HA2 -0.173 3.861 3.960 -0.067 0.000 0.214 132 G HA3 -0.173 4.104 3.960 -0.071 -0.360 0.214 132 G C 1.980 176.839 174.900 -0.068 0.000 1.136 132 G CA 1.019 46.070 45.100 -0.083 0.000 0.789 132 G HN -0.402 7.931 8.290 -0.129 -0.120 0.536 133 Q N 0.632 120.381 119.800 -0.086 0.000 2.084 133 Q HA -0.262 3.990 4.340 -0.146 0.000 0.202 133 Q C 1.016 176.893 176.000 -0.205 0.000 0.978 133 Q CA 2.629 58.331 55.803 -0.168 0.000 0.844 133 Q CB -0.331 28.254 28.738 -0.254 0.000 0.898 133 Q HN -0.568 7.471 8.270 -0.077 0.185 0.426 134 F N -4.412 115.491 119.950 -0.078 0.000 2.802 134 F HA -0.056 4.471 4.527 0.001 0.000 0.300 134 F C 0.254 176.034 175.800 -0.034 0.000 1.168 134 F CA 0.559 58.540 58.000 -0.032 0.000 1.433 134 F CB 0.690 39.690 39.000 -0.000 0.000 1.115 134 F HN -0.699 7.707 8.300 0.177 0.000 0.582 135 G N -1.700 107.150 108.800 0.083 0.000 2.195 135 G HA2 -0.361 3.605 3.960 0.010 0.000 0.224 135 G HA3 -0.361 3.637 3.960 0.062 0.000 0.224 135 G C 0.309 175.246 174.900 0.062 0.000 0.990 135 G CA 0.507 45.637 45.100 0.050 0.000 0.639 135 G HN -0.306 7.790 8.290 0.035 0.216 0.514 136 V N -1.309 118.643 119.914 0.064 0.000 3.292 136 V HA 0.105 4.353 4.120 0.213 0.000 0.372 136 V C -0.248 175.883 176.094 0.062 0.000 1.249 136 V CA -1.206 61.157 62.300 0.106 0.000 1.378 136 V CB -1.888 29.959 31.823 0.041 0.000 1.245 136 V HN -0.601 7.554 8.190 0.055 0.068 0.467 137 G N 0.335 109.154 108.800 0.031 0.000 3.506 137 G HA2 -0.007 3.946 3.960 -0.011 0.000 0.268 137 G HA3 -0.007 4.048 3.960 -0.009 -0.101 0.268 137 G C -2.185 172.765 174.900 0.084 0.000 0.959 137 G CA 0.068 45.177 45.100 0.016 0.000 1.823 137 G HN -0.617 7.561 8.290 0.028 0.129 0.615 138 F N 1.338 121.204 119.950 -0.140 0.000 2.149 138 F HA 0.119 4.537 4.527 -0.181 0.000 0.332 138 F C -1.038 174.638 175.800 -0.206 0.000 0.892 138 F CA 0.838 58.681 58.000 -0.261 0.000 1.098 138 F CB 1.445 40.143 39.000 -0.504 0.000 1.247 138 F HN -0.611 7.689 8.300 0.097 0.058 0.627 139 Y N -0.185 120.143 120.300 0.048 0.000 2.632 139 Y HA -0.135 4.386 4.550 -0.049 0.000 0.301 139 Y C 1.990 177.939 175.900 0.081 0.000 1.172 139 Y CA 1.678 59.821 58.100 0.071 0.000 1.328 139 Y CB -0.949 37.635 38.460 0.207 0.000 1.016 139 Y HN -0.081 8.208 8.280 0.015 0.000 0.529 140 S N 1.759 117.527 115.700 0.113 0.000 2.474 140 S HA -0.312 4.240 4.470 0.137 0.000 0.235 140 S C 1.372 176.015 174.600 0.072 0.000 0.997 140 S CA 2.498 60.760 58.200 0.103 0.000 0.949 140 S CB -0.864 62.376 63.200 0.066 0.000 0.766 140 S HN 0.173 8.426 8.310 0.053 0.089 0.517 141 A N 2.018 124.823 122.820 -0.026 0.000 2.067 141 A HA -0.229 4.014 4.320 -0.129 0.000 0.219 141 A C 0.900 178.351 177.584 -0.222 0.000 1.158 141 A CA 2.131 54.079 52.037 -0.149 0.000 0.661 141 A CB -0.745 18.121 19.000 -0.223 0.000 0.801 141 A HN -0.483 7.558 8.150 -0.098 0.050 0.452 142 Y N -2.272 117.987 120.300 -0.068 0.000 2.421 142 Y HA -0.306 4.222 4.550 -0.036 0.000 0.292 142 Y C 1.749 177.626 175.900 -0.040 0.000 1.136 142 Y CA 3.049 61.130 58.100 -0.033 0.000 1.255 142 Y CB -0.236 38.234 38.460 0.017 0.000 0.991 142 Y HN -0.416 7.763 8.280 0.102 0.162 0.552 143 L N -5.315 115.959 121.223 0.085 0.000 2.275 143 L HA -0.254 4.164 4.340 0.130 0.000 0.215 143 L C 0.422 177.269 176.870 -0.038 0.000 1.119 143 L CA 2.257 57.133 54.840 0.060 0.000 0.790 143 L CB 0.271 42.372 42.059 0.071 0.000 0.919 143 L HN -0.520 7.586 8.230 0.065 0.164 0.443 144 V N -12.441 107.345 119.914 -0.212 0.000 3.473 144 V HA 0.276 4.354 4.120 -0.070 0.000 0.253 144 V C -0.183 175.816 176.094 -0.158 0.000 1.340 144 V CA -0.598 61.551 62.300 -0.252 0.000 1.103 144 V CB 2.016 33.405 31.823 -0.723 0.000 0.881 144 V HN -0.649 7.212 8.190 -0.264 0.170 0.451 145 A N -0.320 122.393 122.820 -0.177 0.000 2.378 145 A HA 0.391 4.849 4.320 -0.044 -0.164 0.293 145 A C -1.148 176.450 177.584 0.022 0.000 1.250 145 A CA -0.884 51.101 52.037 -0.086 0.000 0.915 145 A CB 2.439 21.343 19.000 -0.160 0.000 1.402 145 A HN 0.230 8.128 8.150 -0.242 0.106 0.502 146 E N -4.025 116.207 120.200 0.053 0.000 2.571 146 E HA 0.214 4.673 4.350 0.183 0.000 0.204 146 E C 0.042 176.723 176.600 0.135 0.000 0.851 146 E CA 0.400 56.871 56.400 0.118 0.000 1.358 146 E CB 2.498 32.245 29.700 0.079 0.000 1.327 146 E HN 0.093 8.481 8.360 0.048 0.000 0.665 147 K N 0.683 121.117 120.400 0.057 0.000 2.471 147 K HA 0.389 4.895 4.320 0.105 -0.123 0.252 147 K C -1.846 174.816 176.600 0.103 0.000 0.938 147 K CA -1.103 55.207 56.287 0.040 0.000 0.796 147 K CB 3.251 35.665 32.500 -0.144 0.000 1.161 147 K HN -0.960 7.341 8.250 0.085 0.000 0.425 148 V N 7.451 127.378 119.914 0.022 0.000 2.481 148 V HA 0.216 4.363 4.120 0.045 0.000 0.286 148 V C -1.297 174.931 176.094 0.224 0.000 1.042 148 V CA -0.691 61.644 62.300 0.059 0.000 0.928 148 V CB 1.400 33.191 31.823 -0.053 0.000 0.986 148 V HN 0.699 8.906 8.190 0.028 0.000 0.462 149 T N 9.207 123.908 114.554 0.246 0.000 2.840 149 T HA 0.464 5.129 4.350 0.294 -0.138 0.287 149 T C -1.765 173.102 174.700 0.279 0.000 0.991 149 T CA -0.462 61.801 62.100 0.271 0.000 0.964 149 T CB 1.886 70.897 68.868 0.240 0.000 0.954 149 T HN -0.038 8.306 8.240 0.174 0.000 0.438 150 V N 7.267 127.412 119.914 0.385 0.000 2.531 150 V HA 0.582 4.982 4.120 0.229 -0.143 0.301 150 V C -2.194 174.063 176.094 0.271 0.000 1.034 150 V CA -1.453 61.041 62.300 0.323 0.000 0.865 150 V CB 2.649 34.701 31.823 0.382 0.000 0.995 150 V HN 1.221 9.577 8.190 0.463 0.111 0.424 151 I N 6.478 127.153 120.570 0.175 0.000 2.436 151 I HA 0.837 5.296 4.170 0.189 -0.176 0.289 151 I C -1.195 174.983 176.117 0.102 0.000 1.010 151 I CA -2.055 59.333 61.300 0.145 0.000 1.098 151 I CB 1.769 39.831 38.000 0.103 0.000 1.266 151 I HN 1.200 9.382 8.210 0.140 0.112 0.434 152 T N 6.162 120.783 114.554 0.110 0.000 2.903 152 T HA 0.518 5.020 4.350 0.044 -0.126 0.299 152 T C -2.282 172.466 174.700 0.080 0.000 1.093 152 T CA -1.764 60.382 62.100 0.077 0.000 1.002 152 T CB 2.282 71.193 68.868 0.071 0.000 1.127 152 T HN 0.007 8.338 8.240 0.151 0.000 0.488 153 K N 5.442 125.871 120.400 0.047 0.000 2.572 153 K HA 0.527 4.875 4.320 0.048 0.000 0.244 153 K C -1.568 175.065 176.600 0.055 0.000 0.965 153 K CA -1.767 54.542 56.287 0.037 0.000 0.943 153 K CB 1.331 33.825 32.500 -0.011 0.000 1.154 153 K HN -0.016 8.248 8.250 0.024 0.000 0.447 154 H N 6.499 125.584 119.070 0.024 0.000 2.508 154 H HA 0.527 5.346 4.556 0.001 -0.263 0.358 154 H C 1.088 176.423 175.328 0.012 0.000 1.212 154 H CA 0.090 56.150 56.048 0.020 0.000 1.356 154 H CB 2.777 32.566 29.762 0.045 0.000 1.525 154 H HN -0.339 8.081 8.280 0.233 0.000 0.578 155 N N 1.765 120.435 118.700 -0.051 0.000 2.062 155 N HA -0.177 4.558 4.740 -0.007 0.000 0.191 155 N C 0.930 176.515 175.510 0.125 0.000 1.042 155 N CA 2.578 55.638 53.050 0.017 0.000 0.845 155 N CB 0.414 38.870 38.487 -0.052 0.000 1.024 155 N HN 0.519 8.606 8.380 -0.488 0.000 0.424 156 D N -1.751 118.797 120.400 0.246 0.000 2.870 156 D HA 0.000 4.703 4.640 0.105 0.000 0.241 156 D C -0.680 175.707 176.300 0.145 0.000 1.234 156 D CA -0.389 53.709 54.000 0.163 0.000 0.844 156 D CB -1.270 39.612 40.800 0.137 0.000 1.051 156 D HN 0.150 8.779 8.370 0.432 0.000 0.469 157 D N -1.414 119.084 120.400 0.163 0.000 2.725 157 D HA 0.070 4.804 4.640 0.157 0.000 0.292 157 D C -1.563 174.808 176.300 0.117 0.000 1.288 157 D CA -0.580 53.527 54.000 0.178 0.000 0.784 157 D CB 2.179 43.120 40.800 0.235 0.000 1.308 157 D HN -0.610 7.748 8.370 0.158 0.106 0.429 158 E N -0.188 120.046 120.200 0.058 0.000 3.466 158 E HA 0.231 4.501 4.350 -0.133 0.000 0.265 158 E C -0.825 175.476 176.600 -0.499 0.000 1.291 158 E CA -1.223 55.024 56.400 -0.256 0.000 1.226 158 E CB 1.521 30.993 29.700 -0.380 0.000 1.404 158 E HN -0.269 8.245 8.360 0.256 0.000 0.697 159 Q N -0.058 119.383 119.800 -0.598 0.000 2.290 159 Q HA 0.601 4.960 4.340 -0.236 -0.161 0.259 159 Q C -0.233 175.399 176.000 -0.614 0.000 0.941 159 Q CA -0.636 54.915 55.803 -0.419 0.000 0.912 159 Q CB 1.588 30.213 28.738 -0.188 0.000 1.244 159 Q HN 0.257 8.226 8.270 -0.502 0.000 0.441 160 Y N 3.680 124.030 120.300 0.082 0.000 2.605 160 Y HA 0.433 5.213 4.550 0.097 -0.172 0.343 160 Y C -1.990 173.992 175.900 0.137 0.000 1.036 160 Y CA -1.748 56.417 58.100 0.108 0.000 1.065 160 Y CB 4.699 43.233 38.460 0.124 0.000 1.288 160 Y HN -0.175 8.143 8.280 0.064 0.000 0.481 161 A N -1.201 121.819 122.820 0.332 0.000 2.318 161 A HA 0.535 5.162 4.320 0.278 -0.140 0.317 161 A C -2.691 175.108 177.584 0.358 0.000 1.159 161 A CA -1.841 50.367 52.037 0.285 0.000 0.799 161 A CB 2.670 21.786 19.000 0.193 0.000 1.194 161 A HN 1.077 9.332 8.150 0.356 0.108 0.479 162 W N 6.790 128.200 121.300 0.184 0.000 2.362 162 W HA 0.596 5.580 4.660 0.236 -0.182 0.316 162 W C -2.301 174.352 176.519 0.224 0.000 1.024 162 W CA -1.546 55.925 57.345 0.210 0.000 1.270 162 W CB 2.803 32.369 29.460 0.177 0.000 1.273 162 W HN 1.159 9.514 8.180 0.470 0.108 0.424 163 E N 9.457 129.566 120.200 -0.150 0.000 2.314 163 E HA 1.019 5.590 4.350 0.032 -0.202 0.272 163 E C -1.999 174.427 176.600 -0.290 0.000 0.884 163 E CA -1.726 54.605 56.400 -0.114 0.000 0.753 163 E CB 4.486 34.207 29.700 0.035 0.000 1.213 163 E HN 0.932 9.145 8.360 -0.245 0.000 0.432 164 S N 4.976 120.601 115.700 -0.126 0.000 2.572 164 S HA 0.451 4.949 4.470 0.046 0.000 0.274 164 S C -1.027 173.688 174.600 0.192 0.000 1.150 164 S CA -0.764 57.475 58.200 0.064 0.000 0.944 164 S CB 3.426 66.777 63.200 0.253 0.000 1.071 164 S HN 0.739 9.041 8.310 -0.013 0.000 0.479 165 S N 4.848 120.651 115.700 0.172 0.000 2.460 165 S HA 0.205 4.788 4.470 0.189 0.000 0.211 165 S C -0.188 174.524 174.600 0.187 0.000 1.312 165 S CA -0.952 57.344 58.200 0.161 0.000 1.256 165 S CB -0.907 62.325 63.200 0.054 0.000 1.086 165 S HN 0.605 8.999 8.310 0.140 0.000 0.507 166 A N 2.409 125.394 122.820 0.275 0.000 5.699 166 A HA -0.402 3.711 4.320 -0.344 0.000 0.280 166 A C 0.363 177.940 177.584 -0.013 0.000 2.071 166 A CA 1.438 53.452 52.037 -0.038 0.000 0.714 166 A CB -0.850 18.105 19.000 -0.075 0.000 1.162 166 A HN -0.162 8.230 8.150 0.508 0.063 0.363 167 G N -1.435 107.329 108.800 -0.061 0.000 4.610 167 G HA2 -0.340 3.604 3.960 -0.027 0.000 0.323 167 G HA3 -0.340 3.637 3.960 0.028 0.000 0.323 167 G C 0.001 174.901 174.900 0.001 0.000 1.377 167 G CA 0.825 45.918 45.100 -0.013 0.000 1.023 167 G HN 0.244 8.471 8.290 -0.105 0.000 0.755 168 G N 0.296 109.167 108.800 0.119 0.000 4.726 168 G HA2 -0.052 4.024 3.960 0.194 0.000 0.222 168 G HA3 -0.052 4.002 3.960 0.156 0.000 0.222 168 G C -2.031 173.169 174.900 0.501 0.000 0.744 168 G CA 0.421 45.671 45.100 0.250 0.000 1.166 168 G HN -0.190 8.180 8.290 0.165 0.019 0.755 169 S N 0.447 116.441 115.700 0.489 0.000 2.588 169 S HA 0.986 5.663 4.470 0.128 -0.131 0.275 169 S C -2.085 172.679 174.600 0.274 0.000 1.130 169 S CA -0.776 57.565 58.200 0.234 0.000 0.855 169 S CB 3.869 67.078 63.200 0.015 0.000 1.116 169 S HN -0.889 7.674 8.310 0.421 0.000 0.472 170 F N -3.547 116.320 119.950 -0.139 0.000 2.603 170 F HA 0.597 5.082 4.527 -0.196 -0.075 0.317 170 F C -1.853 173.791 175.800 -0.260 0.000 1.066 170 F CA -2.402 55.426 58.000 -0.286 0.000 0.941 170 F CB 3.201 41.837 39.000 -0.608 0.000 1.291 170 F HN 0.771 8.665 8.300 -0.677 0.000 0.472 171 T N -1.155 113.302 114.554 -0.161 0.000 2.807 171 T HA 0.752 5.185 4.350 -0.194 -0.200 0.279 171 T C -0.555 174.125 174.700 -0.033 0.000 0.993 171 T CA -1.805 60.215 62.100 -0.133 0.000 0.970 171 T CB 1.888 70.694 68.868 -0.103 0.000 0.950 171 T HN 1.033 9.025 8.240 -0.230 0.110 0.441 172 V N 5.588 125.546 119.914 0.073 0.000 2.487 172 V HA 0.958 5.440 4.120 0.243 -0.217 0.298 172 V C -1.395 174.789 176.094 0.149 0.000 1.028 172 V CA -1.602 60.826 62.300 0.213 0.000 0.860 172 V CB 2.223 34.282 31.823 0.394 0.000 0.991 172 V HN 0.673 8.854 8.190 -0.014 0.000 0.427 173 R N 3.948 124.562 120.500 0.190 0.000 2.781 173 R HA 1.018 5.668 4.340 0.152 -0.218 0.269 173 R C -1.143 175.320 176.300 0.273 0.000 1.025 173 R CA -2.487 53.719 56.100 0.175 0.000 0.914 173 R CB 3.850 34.214 30.300 0.106 0.000 1.236 173 R HN 0.742 9.155 8.270 0.238 0.000 0.465 174 T N 1.868 116.566 114.554 0.240 0.000 2.779 174 T HA 0.033 4.590 4.350 0.344 0.000 0.296 174 T C -0.647 174.109 174.700 0.094 0.000 0.938 174 T CA 0.594 62.821 62.100 0.212 0.000 1.119 174 T CB 0.295 69.248 68.868 0.142 0.000 0.891 174 T HN 0.351 8.697 8.240 0.178 0.000 0.526 175 D N 6.397 126.821 120.400 0.041 0.000 2.424 175 D HA -0.110 4.567 4.640 0.062 0.000 0.244 175 D C 0.143 176.441 176.300 -0.003 0.000 1.134 175 D CA 0.369 54.386 54.000 0.027 0.000 0.881 175 D CB 1.268 42.076 40.800 0.015 0.000 1.191 175 D HN -0.030 8.228 8.370 -0.010 0.107 0.445 176 T N 3.600 118.162 114.554 0.014 0.000 3.034 176 T HA 0.045 4.392 4.350 -0.004 0.000 0.248 176 T C 0.850 175.550 174.700 0.001 0.000 1.040 176 T CA -0.182 61.922 62.100 0.005 0.000 1.107 176 T CB 0.696 69.573 68.868 0.015 0.000 0.932 176 T HN -0.201 8.057 8.240 0.029 0.000 0.474 177 G N 2.330 111.135 108.800 0.008 0.000 2.855 177 G HA2 -0.255 3.708 3.960 0.006 0.000 0.248 177 G HA3 -0.255 3.711 3.960 0.011 0.000 0.248 177 G C -0.923 173.974 174.900 -0.006 0.000 1.243 177 G CA -0.639 44.464 45.100 0.005 0.000 0.881 177 G HN -0.710 7.744 8.290 0.018 -0.154 0.598 178 E N 0.287 120.482 120.200 -0.007 0.000 2.442 178 E HA -0.124 4.217 4.350 -0.014 0.000 0.262 178 E C -1.833 174.756 176.600 -0.019 0.000 1.004 178 E CA -0.480 55.912 56.400 -0.014 0.000 0.928 178 E CB -0.361 29.331 29.700 -0.014 0.000 0.937 178 E HN 0.030 8.388 8.360 -0.004 0.000 0.446 179 P HA -0.199 4.368 4.420 -0.035 -0.168 0.264 179 P C -1.012 176.272 177.300 -0.028 0.000 1.183 179 P CA 0.526 63.609 63.100 -0.029 0.000 0.763 179 P CB 0.559 32.243 31.700 -0.027 0.000 0.807 180 M N 2.547 122.129 119.600 -0.030 0.000 2.367 180 M HA 0.061 4.521 4.480 -0.033 0.000 0.256 180 M C 0.871 177.148 176.300 -0.038 0.000 1.091 180 M CA 0.438 55.718 55.300 -0.032 0.000 1.049 180 M CB 1.749 34.333 32.600 -0.028 0.000 1.406 180 M HN 0.698 9.309 8.290 -0.033 -0.340 0.498 181 G N 0.687 109.466 108.800 -0.036 0.000 5.353 181 G HA2 -0.510 3.431 3.960 -0.033 0.000 0.283 181 G HA3 -0.510 3.427 3.960 -0.039 0.000 0.283 181 G C -2.008 172.864 174.900 -0.045 0.000 1.457 181 G CA 0.298 45.375 45.100 -0.038 0.000 0.951 181 G HN 0.096 8.365 8.290 -0.034 0.000 0.731 182 R N 2.791 123.257 120.500 -0.057 0.000 2.664 182 R HA 0.511 5.041 4.340 -0.065 -0.229 0.266 182 R C -1.457 174.793 176.300 -0.082 0.000 1.046 182 R CA -0.911 55.145 56.100 -0.074 0.000 0.885 182 R CB 3.113 33.358 30.300 -0.092 0.000 1.254 182 R HN -0.281 7.923 8.270 -0.058 0.032 0.465 183 G N 2.432 111.180 108.800 -0.085 0.000 2.371 183 G HA2 -0.163 3.977 3.960 -0.108 0.000 0.663 183 G HA3 -0.163 3.798 3.960 -0.094 -0.058 0.663 183 G C -2.374 172.493 174.900 -0.054 0.000 1.311 183 G CA -0.419 44.629 45.100 -0.087 0.000 0.985 183 G HN -0.258 7.979 8.290 -0.089 0.000 0.566 184 T N 2.291 116.812 114.554 -0.054 0.000 2.792 184 T HA 0.348 4.695 4.350 -0.006 0.000 0.280 184 T C -1.879 172.816 174.700 -0.009 0.000 0.990 184 T CA -0.044 62.042 62.100 -0.025 0.000 0.960 184 T CB 2.324 71.169 68.868 -0.037 0.000 0.939 184 T HN 0.414 8.611 8.240 -0.074 -0.000 0.439 185 K N 8.019 128.430 120.400 0.019 0.000 2.483 185 K HA 0.651 5.163 4.320 0.015 -0.183 0.256 185 K C -2.340 174.296 176.600 0.059 0.000 0.961 185 K CA -1.425 54.878 56.287 0.027 0.000 0.873 185 K CB 2.610 35.121 32.500 0.019 0.000 1.107 185 K HN 1.052 9.321 8.250 0.032 0.000 0.432 186 V N 7.838 127.788 119.914 0.059 0.000 2.384 186 V HA 0.491 4.829 4.120 0.116 -0.147 0.287 186 V C -1.312 174.809 176.094 0.044 0.000 1.020 186 V CA -1.170 61.179 62.300 0.082 0.000 0.850 186 V CB 1.662 33.544 31.823 0.099 0.000 0.987 186 V HN 0.991 9.206 8.190 0.042 0.000 0.436 187 I N 7.063 127.651 120.570 0.029 0.000 2.330 187 I HA 0.229 4.508 4.170 -0.032 -0.129 0.289 187 I C -1.300 174.759 176.117 -0.097 0.000 1.001 187 I CA -1.029 60.244 61.300 -0.045 0.000 1.193 187 I CB 0.651 38.598 38.000 -0.088 0.000 1.345 187 I HN 0.801 9.049 8.210 0.063 0.000 0.461 188 L N 6.105 127.276 121.223 -0.087 0.000 2.289 188 L HA 0.284 4.590 4.340 -0.057 0.000 0.285 188 L C -0.386 176.404 176.870 -0.134 0.000 1.049 188 L CA -1.145 53.648 54.840 -0.079 0.000 0.804 188 L CB 1.452 43.498 42.059 -0.021 0.000 1.195 188 L HN 0.714 8.784 8.230 -0.049 0.130 0.428 189 H N 4.324 123.383 119.070 -0.018 0.000 2.882 189 H HA 0.161 4.727 4.556 0.016 0.000 0.258 189 H C -0.484 174.836 175.328 -0.013 0.000 1.579 189 H CA -0.850 55.197 56.048 -0.001 0.000 1.340 189 H CB -1.673 28.093 29.762 0.005 0.000 1.645 189 H HN 0.046 8.380 8.280 0.090 0.000 0.541 190 L N 2.136 123.398 121.223 0.065 0.000 2.506 190 L HA -0.272 4.168 4.340 -0.010 -0.107 0.281 190 L C 0.125 177.035 176.870 0.067 0.000 1.228 190 L CA 0.928 55.794 54.840 0.043 0.000 0.850 190 L CB 0.264 42.365 42.059 0.070 0.000 1.110 190 L HN -0.325 7.905 8.230 0.041 0.025 0.496 191 K N 1.637 122.069 120.400 0.055 0.000 2.355 191 K HA -0.103 4.255 4.320 0.063 0.000 0.270 191 K C 1.742 178.379 176.600 0.062 0.000 1.003 191 K CA 1.038 57.362 56.287 0.062 0.000 0.957 191 K CB 0.414 32.952 32.500 0.063 0.000 0.939 191 K HN 0.441 8.613 8.250 0.035 0.099 0.482 192 E N 2.503 122.735 120.200 0.054 0.000 2.331 192 E HA -0.354 4.024 4.350 0.047 0.000 0.199 192 E C -0.012 176.612 176.600 0.039 0.000 1.008 192 E CA 2.530 58.957 56.400 0.045 0.000 0.843 192 E CB -0.441 29.281 29.700 0.037 0.000 0.761 192 E HN 0.890 9.282 8.360 0.052 0.000 0.507 193 D N -4.893 115.534 120.400 0.044 0.000 2.369 193 D HA -0.078 4.579 4.640 0.029 0.000 0.211 193 D C -0.503 175.821 176.300 0.041 0.000 1.077 193 D CA -0.290 53.733 54.000 0.039 0.000 0.842 193 D CB -0.144 40.683 40.800 0.044 0.000 0.947 193 D HN -0.136 8.212 8.370 0.052 0.053 0.509 194 Q N 0.831 120.664 119.800 0.055 0.000 2.769 194 Q HA 0.352 4.698 4.340 0.009 0.000 0.375 194 Q C -0.247 175.790 176.000 0.062 0.000 0.996 194 Q CA -0.833 55.007 55.803 0.062 0.000 1.042 194 Q CB -0.471 28.356 28.738 0.147 0.000 1.329 194 Q HN -0.175 7.935 8.270 0.061 0.197 0.427 195 T N -2.343 112.217 114.554 0.011 0.000 3.057 195 T HA -0.041 4.350 4.350 0.070 0.000 0.254 195 T C 1.157 175.846 174.700 -0.017 0.000 1.094 195 T CA 1.619 63.734 62.100 0.026 0.000 1.088 195 T CB 0.985 69.867 68.868 0.022 0.000 0.934 195 T HN -0.013 8.221 8.240 -0.010 0.000 0.497 196 E N 3.513 123.633 120.200 -0.134 0.000 2.187 196 E HA -0.336 3.941 4.350 -0.122 0.000 0.199 196 E C 1.777 178.254 176.600 -0.205 0.000 1.004 196 E CA 2.737 59.002 56.400 -0.226 0.000 0.813 196 E CB -1.448 28.020 29.700 -0.385 0.000 0.736 196 E HN 0.522 8.773 8.360 -0.132 0.030 0.468 197 Y N -4.661 115.696 120.300 0.095 0.000 2.529 197 Y HA -0.113 4.516 4.550 0.131 0.000 0.290 197 Y C 0.499 176.463 175.900 0.107 0.000 1.177 197 Y CA 0.802 58.984 58.100 0.137 0.000 1.305 197 Y CB -0.152 38.455 38.460 0.245 0.000 1.047 197 Y HN -0.624 7.546 8.280 -0.118 0.039 0.522 198 L N -4.265 117.058 121.223 0.166 0.000 2.592 198 L HA -0.007 4.417 4.340 0.139 0.000 0.227 198 L C -0.722 176.197 176.870 0.080 0.000 1.127 198 L CA -0.094 54.818 54.840 0.119 0.000 0.884 198 L CB -0.097 42.015 42.059 0.089 0.000 1.065 198 L HN 0.171 8.261 8.230 0.108 0.205 0.457 199 E N -0.597 119.643 120.200 0.067 0.000 2.289 199 E HA 0.008 4.378 4.350 0.034 0.000 0.278 199 E C 0.761 177.389 176.600 0.047 0.000 1.032 199 E CA -1.021 55.403 56.400 0.040 0.000 0.854 199 E CB 0.836 30.545 29.700 0.014 0.000 1.046 199 E HN -0.758 7.460 8.360 0.073 0.186 0.409 200 E N 6.691 126.911 120.200 0.033 0.000 2.085 200 E HA -0.420 3.948 4.350 0.030 0.000 0.194 200 E C 1.426 178.035 176.600 0.014 0.000 0.994 200 E CA 3.933 60.347 56.400 0.023 0.000 0.801 200 E CB -0.642 29.065 29.700 0.012 0.000 0.743 200 E HN 0.647 9.024 8.360 0.028 0.000 0.453 201 R N -0.843 119.663 120.500 0.010 0.000 2.115 201 R HA -0.283 4.054 4.340 -0.005 0.000 0.230 201 R C 2.022 178.329 176.300 0.011 0.000 1.111 201 R CA 3.247 59.349 56.100 0.003 0.000 0.976 201 R CB -0.344 29.955 30.300 -0.001 0.000 0.870 201 R HN 0.320 8.596 8.270 0.010 0.000 0.445 202 R N -0.908 119.608 120.500 0.026 0.000 2.066 202 R HA -0.228 4.134 4.340 0.035 0.000 0.232 202 R C 2.241 178.589 176.300 0.080 0.000 1.131 202 R CA 2.646 58.776 56.100 0.050 0.000 0.955 202 R CB -0.902 29.427 30.300 0.049 0.000 0.851 202 R HN -0.078 8.094 8.270 0.025 0.113 0.432 203 I N -0.171 120.449 120.570 0.082 0.000 2.179 203 I HA -0.583 3.640 4.170 0.088 0.000 0.242 203 I C 1.972 178.096 176.117 0.012 0.000 1.088 203 I CA 4.081 65.419 61.300 0.064 0.000 1.357 203 I CB -0.390 37.644 38.000 0.058 0.000 1.051 203 I HN 0.125 8.382 8.210 0.077 0.000 0.409 204 K N -1.242 119.157 120.400 -0.001 0.000 2.097 204 K HA -0.415 3.883 4.320 -0.036 0.000 0.206 204 K C 2.144 178.722 176.600 -0.037 0.000 1.049 204 K CA 3.815 60.086 56.287 -0.027 0.000 0.933 204 K CB -0.467 32.015 32.500 -0.029 0.000 0.717 204 K HN 0.127 8.382 8.250 0.009 0.000 0.442 205 E N -0.095 120.090 120.200 -0.024 0.000 2.051 205 E HA -0.268 4.051 4.350 -0.051 0.000 0.192 205 E C 2.574 179.133 176.600 -0.070 0.000 0.991 205 E CA 2.960 59.336 56.400 -0.040 0.000 0.799 205 E CB -0.082 29.608 29.700 -0.017 0.000 0.748 205 E HN -0.506 7.841 8.360 -0.007 0.009 0.449 206 I N -0.998 119.547 120.570 -0.042 0.000 2.315 206 I HA -0.390 3.700 4.170 -0.134 0.000 0.248 206 I C 2.219 178.278 176.117 -0.098 0.000 1.117 206 I CA 3.894 65.152 61.300 -0.069 0.000 1.404 206 I CB 0.025 38.029 38.000 0.007 0.000 1.071 206 I HN -0.258 7.951 8.210 -0.002 0.000 0.419 207 V N 0.960 120.833 119.914 -0.069 0.000 2.358 207 V HA -0.353 3.735 4.120 -0.052 0.000 0.246 207 V C 2.488 178.529 176.094 -0.088 0.000 1.047 207 V CA 3.462 65.723 62.300 -0.065 0.000 1.035 207 V CB -0.675 31.116 31.823 -0.054 0.000 0.658 207 V HN 0.137 8.201 8.190 -0.052 0.095 0.452 208 K N -1.763 118.576 120.400 -0.101 0.000 2.432 208 K HA -0.174 4.074 4.320 -0.121 0.000 0.196 208 K C 1.136 177.646 176.600 -0.150 0.000 1.038 208 K CA 1.530 57.746 56.287 -0.118 0.000 0.986 208 K CB -0.482 31.959 32.500 -0.098 0.000 0.782 208 K HN -0.202 7.995 8.250 -0.089 0.000 0.485 209 K N -2.077 118.203 120.400 -0.200 0.000 2.054 209 K HA -0.066 4.110 4.320 -0.241 0.000 0.207 209 K C 1.935 178.352 176.600 -0.304 0.000 1.031 209 K CA 2.421 58.508 56.287 -0.334 0.000 0.952 209 K CB 0.758 32.917 32.500 -0.569 0.000 0.775 209 K HN -0.471 7.467 8.250 -0.184 0.202 0.447 210 H N -5.159 113.905 119.070 -0.009 0.000 2.750 210 H HA 0.251 4.838 4.556 0.053 0.000 0.263 210 H C 0.149 175.491 175.328 0.023 0.000 0.964 210 H CA 0.602 56.661 56.048 0.018 0.000 1.205 210 H CB 2.140 31.903 29.762 0.002 0.000 1.454 210 H HN -0.166 7.910 8.280 -0.339 0.000 0.503 211 S N -0.433 115.304 115.700 0.061 0.000 2.489 211 S HA 0.196 4.714 4.470 0.080 0.000 0.237 211 S C 0.112 174.697 174.600 -0.025 0.000 1.220 211 S CA -0.339 57.882 58.200 0.035 0.000 1.231 211 S CB -0.030 63.174 63.200 0.006 0.000 0.900 211 S HN -0.635 7.676 8.310 0.002 0.000 0.492 212 Q N -0.319 119.427 119.800 -0.090 0.000 2.352 212 Q HA 0.082 4.322 4.340 -0.166 0.000 0.212 212 Q C -0.049 175.761 176.000 -0.316 0.000 0.888 212 Q CA 0.880 56.537 55.803 -0.244 0.000 0.934 212 Q CB -0.141 28.364 28.738 -0.388 0.000 1.093 212 Q HN -0.365 7.806 8.270 -0.048 0.070 0.523 213 F N -0.086 119.866 119.950 0.002 0.000 2.641 213 F HA 0.065 4.585 4.527 -0.011 0.000 0.302 213 F C -0.678 175.124 175.800 0.004 0.000 1.098 213 F CA -0.889 57.111 58.000 -0.002 0.000 1.318 213 F CB 0.478 39.480 39.000 0.003 0.000 1.035 213 F HN -0.363 7.999 8.300 0.103 0.000 0.551 214 I N 1.529 122.179 120.570 0.133 0.000 2.421 214 I HA -0.038 4.226 4.170 0.158 0.000 0.291 214 I C 1.559 177.719 176.117 0.071 0.000 1.089 214 I CA -0.643 60.732 61.300 0.126 0.000 1.354 214 I CB -1.099 36.969 38.000 0.114 0.000 1.413 214 I HN -0.759 7.415 8.210 0.075 0.081 0.513 215 G N 8.378 117.189 108.800 0.018 0.000 3.375 215 G HA2 -0.046 3.829 3.960 -0.142 0.000 0.247 215 G HA3 -0.046 3.740 3.960 -0.290 0.000 0.247 215 G C -1.608 172.980 174.900 -0.519 0.000 1.343 215 G CA 0.315 45.286 45.100 -0.215 0.000 1.368 215 G HN 0.672 9.010 8.290 0.080 0.000 0.549 216 Y N 0.232 120.538 120.300 0.009 0.000 2.401 216 Y HA 0.216 4.774 4.550 0.013 0.000 0.330 216 Y C -2.031 173.883 175.900 0.023 0.000 1.071 216 Y CA -3.136 54.974 58.100 0.015 0.000 1.049 216 Y CB 1.988 40.457 38.460 0.015 0.000 1.239 216 Y HN -0.578 7.617 8.280 0.080 0.133 0.437 217 P HA 0.044 4.486 4.420 0.036 0.000 0.263 217 P C -2.256 175.115 177.300 0.118 0.000 1.175 217 P CA 0.335 63.490 63.100 0.091 0.000 0.761 217 P CB 0.939 32.671 31.700 0.053 0.000 0.794 218 I N 2.689 123.289 120.570 0.050 0.000 2.436 218 I HA 0.650 5.118 4.170 0.090 -0.244 0.289 218 I C -0.128 175.970 176.117 -0.030 0.000 1.010 218 I CA -1.105 60.218 61.300 0.039 0.000 1.098 218 I CB 3.544 41.554 38.000 0.016 0.000 1.266 218 I HN -0.048 8.170 8.210 0.012 0.000 0.434 219 T N 8.323 122.851 114.554 -0.043 0.000 2.841 219 T HA 0.385 4.585 4.350 -0.250 0.000 0.285 219 T C -1.954 172.536 174.700 -0.350 0.000 0.991 219 T CA -0.970 60.978 62.100 -0.253 0.000 0.966 219 T CB 1.779 70.427 68.868 -0.367 0.000 0.962 219 T HN 0.679 8.951 8.240 0.053 0.000 0.438 220 L N 6.533 127.533 121.223 -0.370 0.000 2.292 220 L HA 0.460 4.915 4.340 -0.100 -0.175 0.284 220 L C -1.006 175.615 176.870 -0.415 0.000 1.065 220 L CA -0.479 54.214 54.840 -0.244 0.000 0.806 220 L CB 1.666 43.654 42.059 -0.118 0.000 1.175 220 L HN 0.581 8.613 8.230 -0.330 0.000 0.431 221 F N 7.731 127.693 119.950 0.021 0.000 2.366 221 F HA 0.208 4.744 4.527 0.015 0.000 0.357 221 F C -0.965 174.846 175.800 0.018 0.000 1.107 221 F CA -1.337 56.674 58.000 0.019 0.000 1.208 221 F CB 0.062 39.076 39.000 0.022 0.000 1.464 221 F HN 0.839 9.238 8.300 0.166 0.000 0.501 222 V N 2.097 122.079 119.914 0.114 0.000 2.881 222 V HA -0.004 4.170 4.120 0.090 0.000 0.303 222 V C -0.534 175.615 176.094 0.090 0.000 1.070 222 V CA -0.463 61.887 62.300 0.084 0.000 1.074 222 V CB 1.553 33.401 31.823 0.041 0.000 1.012 222 V HN -0.048 8.169 8.190 0.045 0.000 0.482 223 E N 0.000 120.243 120.200 0.071 0.000 2.725 223 E HA 0.000 4.390 4.350 0.067 0.000 0.291 223 E CA 0.000 56.435 56.400 0.059 0.000 0.976 223 E CB 0.000 29.729 29.700 0.047 0.000 0.812 223 E HN 0.000 8.399 8.360 0.065 0.000 0.440