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 2qcm_1_A DATA FIRST_RESID 223 DATA SEQUENCE MELSFGARAE LPRIHPVASK LLRLMQKKET NLCLSADVSL ARELLQLADA DATA SEQUENCE LGPSICMLKT HVDILNDFTL DVMKELITLA KXHEFLIFEN RKFADIGNTV DATA SEQUENCE KKQYEGGIFK IASWADLVNA HVVPGSGVVK GLQEVGLPLH RGCLLIAEMS DATA SEQUENCE STGSLATGDY TRAAVRMAEE HSEFVVGFIS GSRVSMKPEF LHLTPGVQLE DATA SEQUENCE AGGDNLGQQY NSPQEVIGKR GSDIIIVGRG IISAADRLEA AEMYRKAAWE DATA SEQUENCE AYLSRLG 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 223 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 223 M C 0.000 176.299 176.300 -0.002 0.000 1.140 223 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 223 M CB 0.000 32.591 32.600 -0.015 0.000 1.302 224 E N 2.958 123.147 120.200 -0.017 0.000 2.384 224 E HA 0.386 4.733 4.350 -0.006 0.000 0.266 224 E C -1.196 175.388 176.600 -0.026 0.000 1.012 224 E CA 0.224 56.612 56.400 -0.020 0.000 0.901 224 E CB 0.428 30.097 29.700 -0.052 0.000 0.967 224 E HN 0.357 8.717 8.360 -0.000 0.000 0.435 225 L N 1.695 122.916 121.223 -0.003 0.000 2.334 225 L HA 0.255 4.591 4.340 -0.006 0.000 0.272 225 L C 0.872 177.737 176.870 -0.007 0.000 1.020 225 L CA -0.835 54.008 54.840 0.005 0.000 0.812 225 L CB 1.489 43.572 42.059 0.040 0.000 1.264 225 L HN 0.490 8.720 8.230 -0.000 0.000 0.439 226 S N 0.527 116.228 115.700 0.001 0.000 2.576 226 S HA 0.122 4.588 4.470 -0.006 0.000 0.272 226 S C 1.043 175.710 174.600 0.111 0.000 1.352 226 S CA -0.211 58.009 58.200 0.033 0.000 1.021 226 S CB 0.231 63.482 63.200 0.086 0.000 0.887 226 S HN 0.472 8.782 8.310 -0.000 0.000 0.542 227 F N 1.193 121.269 119.950 0.211 0.000 2.120 227 F HA -0.024 4.499 4.527 -0.006 0.000 0.300 227 F C 2.789 178.649 175.800 0.101 0.000 1.095 227 F CA 0.969 59.027 58.000 0.096 0.000 1.249 227 F CB -0.944 38.071 39.000 0.024 0.000 0.995 227 F HN 0.818 9.118 8.300 -0.000 0.000 0.480 228 G N -0.307 108.679 108.800 0.310 0.000 2.440 228 G HA2 -0.221 3.735 3.960 -0.006 0.000 0.218 228 G HA3 -0.221 3.735 3.960 -0.006 0.000 0.218 228 G C 1.792 176.775 174.900 0.139 0.000 1.154 228 G CA 0.830 46.050 45.100 0.200 0.000 0.767 228 G HN 0.449 8.739 8.290 -0.000 0.000 0.552 229 A N 0.618 123.513 122.820 0.124 0.000 1.929 229 A HA 0.106 4.423 4.320 -0.006 0.000 0.216 229 A C 2.410 180.046 177.584 0.087 0.000 1.176 229 A CA 1.326 53.415 52.037 0.087 0.000 0.628 229 A CB -0.314 18.725 19.000 0.066 0.000 0.816 229 A HN 0.332 8.482 8.150 -0.000 0.000 0.444 230 R N -0.306 120.264 120.500 0.116 0.000 2.120 230 R HA -0.077 4.259 4.340 -0.006 0.000 0.234 230 R C 2.240 178.589 176.300 0.081 0.000 1.123 230 R CA 1.037 57.202 56.100 0.108 0.000 0.975 230 R CB -0.420 29.978 30.300 0.162 0.000 0.866 230 R HN 0.500 8.770 8.270 -0.000 0.000 0.446 231 A N 1.033 123.909 122.820 0.093 0.000 2.125 231 A HA -0.152 4.164 4.320 -0.006 0.000 0.219 231 A C 1.394 179.001 177.584 0.039 0.000 1.156 231 A CA 1.209 53.283 52.037 0.062 0.000 0.671 231 A CB -0.093 18.951 19.000 0.073 0.000 0.794 231 A HN 0.327 8.477 8.150 -0.000 0.000 0.459 232 E N -0.756 119.469 120.200 0.042 0.000 2.498 232 E HA 0.234 4.581 4.350 -0.006 0.000 0.203 232 E C -0.474 176.137 176.600 0.019 0.000 1.013 232 E CA -0.456 55.961 56.400 0.028 0.000 0.927 232 E CB 0.150 29.870 29.700 0.033 0.000 1.012 232 E HN 0.526 8.886 8.360 -0.000 0.000 0.482 233 L N 2.046 123.280 121.223 0.018 0.000 2.514 233 L HA -0.012 4.324 4.340 -0.006 0.000 0.280 233 L C -1.371 175.498 176.870 -0.002 0.000 1.223 233 L CA -1.047 53.800 54.840 0.012 0.000 0.864 233 L CB 0.231 42.295 42.059 0.010 0.000 1.118 233 L HN -0.139 8.091 8.230 -0.000 0.000 0.494 234 P HA -0.179 4.241 4.420 -0.000 0.000 0.216 234 P C 0.832 178.122 177.300 -0.017 0.000 1.154 234 P CA 1.615 64.712 63.100 -0.005 0.000 0.865 234 P CB 0.135 31.836 31.700 0.002 0.000 0.789 235 R N -1.801 118.685 120.500 -0.023 0.000 2.359 235 R HA 0.184 4.521 4.340 -0.006 0.000 0.231 235 R C 0.502 176.755 176.300 -0.079 0.000 0.913 235 R CA -0.629 55.446 56.100 -0.041 0.000 1.075 235 R CB -0.369 29.914 30.300 -0.030 0.000 1.087 235 R HN 0.184 8.454 8.270 -0.000 0.000 0.515 236 I N 1.494 122.023 120.570 -0.068 0.000 2.752 236 I HA -0.128 4.039 4.170 -0.006 0.000 0.287 236 I C 0.579 176.664 176.117 -0.054 0.000 1.188 236 I CA 0.120 61.373 61.300 -0.078 0.000 1.427 236 I CB 0.175 38.151 38.000 -0.042 0.000 1.365 236 I HN 0.121 8.331 8.210 -0.000 0.000 0.585 237 H N 8.780 127.762 119.070 -0.147 0.000 2.582 237 H HA 0.219 4.771 4.556 -0.007 0.000 0.345 237 H C -1.977 173.312 175.328 -0.066 0.000 1.104 237 H CA -1.684 54.301 56.048 -0.106 0.000 1.390 237 H CB 1.443 31.121 29.762 -0.141 0.000 1.461 237 H HN 0.435 8.715 8.280 -0.000 0.000 0.551 238 P HA -0.169 4.251 4.420 -0.000 0.000 0.218 238 P C 1.621 178.982 177.300 0.101 0.000 1.148 238 P CA 0.802 63.872 63.100 -0.049 0.000 0.822 238 P CB 0.362 32.002 31.700 -0.099 0.000 0.784 239 V N 0.027 120.130 119.914 0.316 0.000 2.358 239 V HA -0.210 3.906 4.120 -0.006 0.000 0.246 239 V C 2.480 178.614 176.094 0.066 0.000 1.047 239 V CA 2.087 64.496 62.300 0.181 0.000 1.035 239 V CB -1.704 30.206 31.823 0.145 0.000 0.658 239 V HN 0.097 8.287 8.190 -0.000 0.000 0.452 240 A N -0.539 122.314 122.820 0.056 0.000 1.908 240 A HA -0.257 4.060 4.320 -0.006 0.000 0.218 240 A C 2.567 180.145 177.584 -0.010 0.000 1.181 240 A CA 2.336 54.353 52.037 -0.033 0.000 0.627 240 A CB -0.851 18.103 19.000 -0.076 0.000 0.818 240 A HN 0.475 8.625 8.150 -0.000 0.000 0.445 241 S N -0.569 115.141 115.700 0.016 0.000 2.356 241 S HA -0.224 4.242 4.470 -0.006 0.000 0.223 241 S C 2.132 176.742 174.600 0.017 0.000 1.032 241 S CA 2.000 60.209 58.200 0.015 0.000 1.005 241 S CB -0.332 62.875 63.200 0.012 0.000 0.867 241 S HN 0.618 8.928 8.310 -0.000 0.000 0.449 242 K N 0.056 120.467 120.400 0.019 0.000 2.032 242 K HA -0.138 4.178 4.320 -0.006 0.000 0.209 242 K C 2.156 178.759 176.600 0.006 0.000 1.048 242 K CA 1.628 57.924 56.287 0.015 0.000 0.927 242 K CB -0.388 32.125 32.500 0.021 0.000 0.712 242 K HN 0.373 8.623 8.250 -0.000 0.000 0.441 243 L N 1.455 122.673 121.223 -0.008 0.000 1.994 243 L HA -0.138 4.199 4.340 -0.006 0.000 0.208 243 L C 1.991 178.826 176.870 -0.058 0.000 1.071 243 L CA 1.576 56.396 54.840 -0.034 0.000 0.745 243 L CB -0.465 41.557 42.059 -0.063 0.000 0.892 243 L HN 0.234 8.464 8.230 -0.000 0.000 0.431 244 L N -0.877 120.318 121.223 -0.048 0.000 2.046 244 L HA -0.210 4.127 4.340 -0.006 0.000 0.208 244 L C 2.801 179.696 176.870 0.042 0.000 1.077 244 L CA 1.294 56.117 54.840 -0.028 0.000 0.747 244 L CB -0.536 41.550 42.059 0.046 0.000 0.896 244 L HN 0.242 8.472 8.230 -0.000 0.000 0.432 245 R N 0.119 120.645 120.500 0.044 0.000 2.083 245 R HA -0.201 4.136 4.340 -0.006 0.000 0.237 245 R C 2.280 178.609 176.300 0.049 0.000 1.137 245 R CA 1.955 58.090 56.100 0.059 0.000 0.951 245 R CB -0.509 29.815 30.300 0.040 0.000 0.851 245 R HN 0.334 8.604 8.270 -0.000 0.000 0.434 246 L N -1.899 119.336 121.223 0.021 0.000 2.156 246 L HA 0.023 4.359 4.340 -0.006 0.000 0.208 246 L C 2.086 178.952 176.870 -0.006 0.000 1.095 246 L CA 1.441 56.289 54.840 0.012 0.000 0.770 246 L CB -0.562 41.507 42.059 0.017 0.000 0.914 246 L HN 0.015 8.245 8.230 -0.000 0.000 0.439 247 M N -0.186 119.397 119.600 -0.028 0.000 2.080 247 M HA -0.229 4.247 4.480 -0.006 0.000 0.260 247 M C 2.536 178.874 176.300 0.063 0.000 1.068 247 M CA 2.270 57.539 55.300 -0.051 0.000 1.109 247 M CB -0.447 32.005 32.600 -0.246 0.000 1.342 247 M HN 0.443 8.733 8.290 -0.000 0.000 0.405 248 Q N 0.702 120.622 119.800 0.200 0.000 2.046 248 Q HA -0.201 4.135 4.340 -0.006 0.000 0.200 248 Q C 1.974 178.049 176.000 0.126 0.000 0.975 248 Q CA 1.809 57.809 55.803 0.328 0.000 0.836 248 Q CB -0.069 28.863 28.738 0.324 0.000 0.896 248 Q HN 0.369 8.639 8.270 -0.000 0.000 0.428 249 K N 0.048 120.484 120.400 0.060 0.000 2.063 249 K HA -0.178 4.139 4.320 -0.006 0.000 0.208 249 K C 1.392 177.959 176.600 -0.054 0.000 1.048 249 K CA 1.619 57.916 56.287 0.016 0.000 0.928 249 K CB 0.063 32.574 32.500 0.018 0.000 0.713 249 K HN 0.070 8.320 8.250 -0.000 0.000 0.442 250 K N 0.344 120.680 120.400 -0.106 0.000 2.393 250 K HA 0.048 4.364 4.320 -0.006 0.000 0.193 250 K C -0.575 175.806 176.600 -0.366 0.000 1.026 250 K CA 0.201 56.389 56.287 -0.165 0.000 1.064 250 K CB 0.525 32.966 32.500 -0.099 0.000 0.833 250 K HN 0.188 8.438 8.250 -0.000 0.000 0.521 251 E N 1.119 120.929 120.200 -0.650 0.000 2.252 251 E HA -0.198 4.149 4.350 -0.006 0.000 0.218 251 E C -0.666 175.208 176.600 -1.211 0.000 1.253 251 E CA 0.573 56.006 56.400 -1.612 0.000 0.705 251 E CB -1.457 27.507 29.700 -1.227 0.000 1.172 251 E HN 0.158 8.518 8.360 -0.000 0.000 0.369 252 T N 0.735 114.898 114.554 -0.651 0.000 2.971 252 T HA 0.392 4.739 4.350 -0.006 0.000 0.304 252 T C -0.474 174.264 174.700 0.062 0.000 1.038 252 T CA -0.652 61.363 62.100 -0.143 0.000 1.007 252 T CB 0.779 69.584 68.868 -0.105 0.000 1.055 252 T HN 0.255 8.495 8.240 -0.000 0.000 0.451 253 N N 4.657 123.483 118.700 0.211 0.000 2.497 253 N HA 0.204 4.941 4.740 -0.006 0.000 0.284 253 N C -0.692 174.869 175.510 0.086 0.000 1.459 253 N CA -0.509 52.595 53.050 0.091 0.000 0.899 253 N CB 0.241 38.804 38.487 0.126 0.000 1.316 253 N HN 0.402 8.782 8.380 -0.000 0.000 0.500 254 L N 0.610 121.873 121.223 0.067 0.000 2.282 254 L HA 0.530 4.866 4.340 -0.006 0.000 0.288 254 L C -0.815 176.055 176.870 0.001 0.000 1.033 254 L CA -0.892 53.977 54.840 0.049 0.000 0.807 254 L CB 1.341 43.434 42.059 0.058 0.000 1.209 254 L HN 0.291 8.521 8.230 -0.000 0.000 0.423 255 C N 6.724 126.023 119.300 -0.000 0.000 2.264 255 C HA 0.572 5.029 4.460 -0.006 0.000 0.324 255 C C -0.168 174.790 174.990 -0.054 0.000 1.267 255 C CA -1.044 57.968 59.018 -0.011 0.000 1.618 255 C CB -0.087 27.683 27.740 0.050 0.000 2.278 255 C HN 0.870 9.100 8.230 -0.000 0.000 0.499 256 L N 6.046 127.206 121.223 -0.105 0.000 2.360 256 L HA 0.382 4.718 4.340 -0.006 0.000 0.276 256 L C 0.505 177.302 176.870 -0.122 0.000 1.121 256 L CA 0.924 55.685 54.840 -0.132 0.000 0.845 256 L CB 1.247 43.201 42.059 -0.176 0.000 1.143 256 L HN 0.759 8.989 8.230 -0.000 0.000 0.452 257 S N 4.656 120.287 115.700 -0.115 0.000 2.473 257 S HA 0.587 5.053 4.470 -0.006 0.000 0.312 257 S C 0.349 174.889 174.600 -0.099 0.000 1.087 257 S CA -0.391 57.739 58.200 -0.117 0.000 1.077 257 S CB -0.049 63.098 63.200 -0.087 0.000 1.065 257 S HN 0.876 9.186 8.310 -0.000 0.000 0.510 258 A N 4.600 127.354 122.820 -0.109 0.000 3.091 258 A HA 0.271 4.588 4.320 -0.006 0.000 0.264 258 A C -0.065 177.492 177.584 -0.046 0.000 1.673 258 A CA -0.522 51.467 52.037 -0.080 0.000 1.362 258 A CB -0.252 18.695 19.000 -0.087 0.000 1.137 258 A HN 0.732 8.882 8.150 -0.000 0.000 0.617 259 D N 1.947 122.335 120.400 -0.020 0.000 2.619 259 D HA 0.285 4.922 4.640 -0.006 0.000 0.224 259 D C 0.205 176.507 176.300 0.004 0.000 1.133 259 D CA 0.440 54.453 54.000 0.022 0.000 1.017 259 D CB 0.506 41.334 40.800 0.047 0.000 1.077 259 D HN 0.381 8.751 8.370 -0.000 0.000 0.503 260 V N -1.978 117.935 119.914 -0.002 0.000 3.001 260 V HA 0.543 4.660 4.120 -0.006 0.000 0.314 260 V C 0.812 176.908 176.094 0.003 0.000 1.099 260 V CA -0.775 61.523 62.300 -0.004 0.000 0.989 260 V CB 2.146 33.962 31.823 -0.012 0.000 1.040 260 V HN 0.011 8.201 8.190 -0.000 0.000 0.434 261 S N 1.417 117.120 115.700 0.005 0.000 2.511 261 S HA 0.354 4.821 4.470 -0.006 0.000 0.214 261 S C 0.129 174.740 174.600 0.019 0.000 0.997 261 S CA 0.162 58.370 58.200 0.014 0.000 0.908 261 S CB 0.036 63.243 63.200 0.012 0.000 0.803 261 S HN 0.611 8.921 8.310 -0.000 0.000 0.504 262 L N 1.748 122.977 121.223 0.010 0.000 2.287 262 L HA 0.647 4.983 4.340 -0.006 0.000 0.287 262 L C 0.951 177.822 176.870 0.001 0.000 1.022 262 L CA -0.421 54.424 54.840 0.008 0.000 0.814 262 L CB 0.788 42.849 42.059 0.003 0.000 1.217 262 L HN 0.056 8.286 8.230 -0.000 0.000 0.420 263 A N 5.005 127.825 122.820 0.000 0.000 1.917 263 A HA -0.229 4.087 4.320 -0.006 0.000 0.219 263 A C 2.240 179.813 177.584 -0.019 0.000 1.182 263 A CA 2.111 54.138 52.037 -0.017 0.000 0.633 263 A CB -0.500 18.480 19.000 -0.033 0.000 0.819 263 A HN 0.903 9.053 8.150 -0.000 0.000 0.448 264 R N -0.311 120.181 120.500 -0.014 0.000 2.096 264 R HA -0.158 4.179 4.340 -0.006 0.000 0.235 264 R C 2.146 178.441 176.300 -0.009 0.000 1.127 264 R CA 1.780 57.873 56.100 -0.012 0.000 0.968 264 R CB -0.314 29.981 30.300 -0.009 0.000 0.861 264 R HN 0.695 8.965 8.270 -0.000 0.000 0.440 265 E N 0.150 120.344 120.200 -0.009 0.000 2.072 265 E HA -0.202 4.145 4.350 -0.006 0.000 0.191 265 E C 1.946 178.537 176.600 -0.016 0.000 0.985 265 E CA 1.057 57.451 56.400 -0.011 0.000 0.801 265 E CB -0.067 29.627 29.700 -0.011 0.000 0.750 265 E HN 0.289 8.649 8.360 -0.000 0.000 0.452 266 L N 1.014 122.227 121.223 -0.017 0.000 1.990 266 L HA -0.210 4.127 4.340 -0.006 0.000 0.213 266 L C 2.096 178.959 176.870 -0.012 0.000 1.072 266 L CA 1.752 56.579 54.840 -0.022 0.000 0.755 266 L CB -0.539 41.505 42.059 -0.026 0.000 0.889 266 L HN 0.225 8.455 8.230 -0.000 0.000 0.432 267 L N -1.198 120.022 121.223 -0.004 0.000 2.056 267 L HA -0.196 4.141 4.340 -0.006 0.000 0.207 267 L C 2.654 179.539 176.870 0.025 0.000 1.078 267 L CA 1.281 56.131 54.840 0.016 0.000 0.749 267 L CB -0.598 41.464 42.059 0.005 0.000 0.901 267 L HN 0.393 8.623 8.230 -0.000 0.000 0.433 268 Q N -0.088 119.716 119.800 0.008 0.000 2.119 268 Q HA -0.172 4.164 4.340 -0.006 0.000 0.201 268 Q C 2.382 178.379 176.000 -0.006 0.000 0.972 268 Q CA 1.232 57.039 55.803 0.007 0.000 0.847 268 Q CB -0.100 28.638 28.738 -0.000 0.000 0.903 268 Q HN 0.505 8.775 8.270 -0.000 0.000 0.433 269 L N 0.047 121.257 121.223 -0.021 0.000 2.017 269 L HA -0.189 4.148 4.340 -0.006 0.000 0.208 269 L C 2.533 179.364 176.870 -0.065 0.000 1.073 269 L CA 1.031 55.842 54.840 -0.048 0.000 0.745 269 L CB -0.610 41.413 42.059 -0.059 0.000 0.894 269 L HN 0.211 8.441 8.230 -0.000 0.000 0.432 270 A N -0.253 122.547 122.820 -0.034 0.000 1.908 270 A HA -0.303 4.014 4.320 -0.006 0.000 0.218 270 A C 1.990 179.626 177.584 0.087 0.000 1.181 270 A CA 2.289 54.323 52.037 -0.004 0.000 0.627 270 A CB -0.631 18.453 19.000 0.141 0.000 0.818 270 A HN 0.443 8.593 8.150 -0.000 0.000 0.445 271 D N -0.480 119.981 120.400 0.103 0.000 2.097 271 D HA 0.026 4.663 4.640 -0.006 0.000 0.197 271 D C 2.094 178.341 176.300 -0.088 0.000 0.984 271 D CA 1.630 55.712 54.000 0.137 0.000 0.826 271 D CB -0.265 40.626 40.800 0.151 0.000 0.973 271 D HN 0.308 8.678 8.370 -0.000 0.000 0.460 272 A N -0.418 122.362 122.820 -0.068 0.000 1.929 272 A HA -0.016 4.300 4.320 -0.006 0.000 0.216 272 A C 1.967 179.462 177.584 -0.148 0.000 1.176 272 A CA 0.877 52.857 52.037 -0.095 0.000 0.628 272 A CB -0.360 18.609 19.000 -0.052 0.000 0.816 272 A HN 0.301 8.451 8.150 -0.000 0.000 0.444 273 L N -0.628 120.501 121.223 -0.157 0.000 2.554 273 L HA 0.210 4.546 4.340 -0.006 0.000 0.225 273 L C 2.459 179.198 176.870 -0.218 0.000 1.104 273 L CA 0.912 55.653 54.840 -0.166 0.000 0.866 273 L CB -0.712 41.257 42.059 -0.150 0.000 1.047 273 L HN 0.348 8.578 8.230 -0.000 0.000 0.468 274 G N 1.153 109.791 108.800 -0.270 0.000 2.513 274 G HA2 -0.242 3.715 3.960 -0.006 0.000 0.219 274 G HA3 -0.242 3.715 3.960 -0.006 0.000 0.219 274 G C -0.600 174.280 174.900 -0.035 0.000 1.160 274 G CA 0.840 45.868 45.100 -0.120 0.000 0.767 274 G HN 0.298 8.588 8.290 -0.000 0.000 0.571 275 P HA 0.017 4.437 4.420 -0.000 0.000 0.221 275 P C 1.787 179.062 177.300 -0.043 0.000 1.145 275 P CA 1.285 64.358 63.100 -0.046 0.000 0.795 275 P CB 0.105 31.761 31.700 -0.073 0.000 0.775 276 S N -0.917 114.739 115.700 -0.073 0.000 2.548 276 S HA 0.151 4.618 4.470 -0.006 0.000 0.215 276 S C 1.012 175.577 174.600 -0.058 0.000 0.976 276 S CA -0.156 58.006 58.200 -0.064 0.000 0.908 276 S CB -0.483 62.682 63.200 -0.058 0.000 0.781 276 S HN 0.187 8.497 8.310 -0.000 0.000 0.519 277 I N -1.526 119.003 120.570 -0.068 0.000 2.740 277 I HA 0.465 4.632 4.170 -0.006 0.000 0.303 277 I C 0.988 177.103 176.117 -0.003 0.000 1.044 277 I CA -1.229 60.026 61.300 -0.075 0.000 1.064 277 I CB 1.633 39.514 38.000 -0.198 0.000 1.249 277 I HN 0.103 8.313 8.210 -0.000 0.000 0.433 278 C N 2.836 122.138 119.300 0.002 0.000 2.673 278 C HA 0.523 4.979 4.460 -0.006 0.000 0.264 278 C C 0.457 175.514 174.990 0.112 0.000 1.304 278 C CA -0.271 58.774 59.018 0.045 0.000 1.727 278 C CB -0.677 27.047 27.740 -0.027 0.000 1.932 278 C HN 0.871 9.101 8.230 -0.000 0.000 0.563 279 M N 0.450 120.086 119.600 0.060 0.000 2.490 279 M HA 0.520 4.996 4.480 -0.006 0.000 0.286 279 M C -2.458 173.813 176.300 -0.048 0.000 1.185 279 M CA -0.576 54.787 55.300 0.106 0.000 0.912 279 M CB 2.028 34.690 32.600 0.103 0.000 1.744 279 M HN 0.246 8.536 8.290 -0.000 0.000 0.494 280 L N 3.729 124.953 121.223 0.000 0.000 2.349 280 L HA 0.592 4.929 4.340 -0.006 0.000 0.278 280 L C -1.214 175.665 176.870 0.014 0.000 0.996 280 L CA -0.403 54.366 54.840 -0.119 0.000 0.825 280 L CB 1.461 43.362 42.059 -0.265 0.000 1.243 280 L HN 0.735 8.965 8.230 -0.000 0.000 0.412 281 K N 3.306 123.659 120.400 -0.078 0.000 2.211 281 K HA 0.505 4.821 4.320 -0.006 0.000 0.275 281 K C -0.631 175.805 176.600 -0.272 0.000 1.024 281 K CA -0.416 55.728 56.287 -0.237 0.000 0.887 281 K CB 1.140 33.421 32.500 -0.365 0.000 1.084 281 K HN 0.694 8.944 8.250 -0.000 0.000 0.463 282 T N 0.690 115.072 114.554 -0.286 0.000 2.918 282 T HA 0.325 4.671 4.350 -0.006 0.000 0.286 282 T C -0.483 173.993 174.700 -0.374 0.000 1.026 282 T CA -0.765 61.210 62.100 -0.209 0.000 1.031 282 T CB 1.077 69.928 68.868 -0.029 0.000 1.046 282 T HN 0.652 8.892 8.240 -0.000 0.000 0.479 283 H N 1.112 120.092 119.070 -0.150 0.000 2.632 283 H HA 0.421 4.973 4.556 -0.006 0.000 0.258 283 H C 0.879 176.091 175.328 -0.194 0.000 1.278 283 H CA -0.649 55.295 56.048 -0.174 0.000 1.352 283 H CB 0.890 30.564 29.762 -0.148 0.000 1.418 283 H HN 0.437 8.717 8.280 -0.000 0.000 0.513 284 V N 1.680 121.486 119.914 -0.180 0.000 2.720 284 V HA -0.223 3.893 4.120 -0.006 0.000 0.256 284 V C 1.778 177.581 176.094 -0.485 0.000 1.082 284 V CA 2.097 64.178 62.300 -0.364 0.000 1.101 284 V CB -0.187 31.311 31.823 -0.543 0.000 0.693 284 V HN 0.836 9.026 8.190 -0.000 0.000 0.479 285 D N -0.517 119.632 120.400 -0.419 0.000 2.363 285 D HA -0.066 4.570 4.640 -0.006 0.000 0.226 285 D C 1.424 177.721 176.300 -0.007 0.000 1.020 285 D CA 0.616 54.538 54.000 -0.130 0.000 0.892 285 D CB -0.084 40.711 40.800 -0.008 0.000 0.900 285 D HN 0.510 8.880 8.370 -0.000 0.000 0.531 286 I N -0.210 120.343 120.570 -0.028 0.000 4.057 286 I HA 0.094 4.260 4.170 -0.006 0.000 0.334 286 I C 0.825 176.959 176.117 0.027 0.000 1.308 286 I CA -0.275 61.023 61.300 -0.004 0.000 1.125 286 I CB 0.515 38.498 38.000 -0.028 0.000 1.034 286 I HN -0.147 8.063 8.210 -0.000 0.000 0.401 287 L N 2.708 123.957 121.223 0.045 0.000 2.456 287 L HA 0.094 4.430 4.340 -0.006 0.000 0.277 287 L C 1.093 178.037 176.870 0.123 0.000 1.124 287 L CA -0.028 54.864 54.840 0.085 0.000 0.880 287 L CB 0.381 42.522 42.059 0.136 0.000 1.192 287 L HN 0.238 8.468 8.230 -0.000 0.000 0.463 288 N N 2.028 120.780 118.700 0.085 0.000 2.309 288 N HA -0.123 4.613 4.740 -0.006 0.000 0.182 288 N C 0.479 176.052 175.510 0.105 0.000 1.018 288 N CA 0.986 54.087 53.050 0.084 0.000 0.876 288 N CB 0.056 38.574 38.487 0.051 0.000 0.972 288 N HN 0.644 9.024 8.380 -0.000 0.000 0.434 289 D N -1.084 119.378 120.400 0.104 0.000 2.788 289 D HA 0.012 4.648 4.640 -0.006 0.000 0.289 289 D C -0.171 176.189 176.300 0.101 0.000 1.340 289 D CA -0.771 53.280 54.000 0.085 0.000 0.831 289 D CB -1.242 39.578 40.800 0.034 0.000 1.103 289 D HN -0.008 8.362 8.370 -0.000 0.000 0.476 290 F N 2.816 122.795 119.950 0.048 0.000 2.623 290 F HA 0.279 4.802 4.527 -0.007 0.000 0.383 290 F C 0.391 176.226 175.800 0.058 0.000 1.077 290 F CA 0.544 58.580 58.000 0.059 0.000 1.268 290 F CB 0.596 39.704 39.000 0.180 0.000 1.053 290 F HN 0.121 8.421 8.300 -0.000 0.000 0.571 291 T N 3.544 117.520 114.554 -0.963 0.000 2.843 291 T HA 0.374 4.720 4.350 -0.006 0.000 0.302 291 T C 0.562 174.537 174.700 -1.208 0.000 1.232 291 T CA -0.961 60.608 62.100 -0.884 0.000 1.009 291 T CB 1.135 69.795 68.868 -0.346 0.000 1.254 291 T HN 0.628 8.868 8.240 -0.000 0.000 0.504 292 L N 0.416 121.265 121.223 -0.625 0.000 2.201 292 L HA 0.011 4.347 4.340 -0.006 0.000 0.212 292 L C 1.974 178.685 176.870 -0.265 0.000 1.105 292 L CA 1.128 55.770 54.840 -0.330 0.000 0.775 292 L CB -0.392 41.662 42.059 -0.009 0.000 0.913 292 L HN 0.702 8.932 8.230 -0.000 0.000 0.440 293 D N -0.495 119.761 120.400 -0.240 0.000 2.178 293 D HA -0.120 4.516 4.640 -0.006 0.000 0.202 293 D C 2.333 178.517 176.300 -0.194 0.000 0.974 293 D CA 0.910 54.812 54.000 -0.165 0.000 0.841 293 D CB 0.027 40.755 40.800 -0.120 0.000 0.953 293 D HN 0.092 8.462 8.370 -0.000 0.000 0.478 294 V N 1.209 120.954 119.914 -0.282 0.000 2.332 294 V HA -0.260 3.857 4.120 -0.006 0.000 0.248 294 V C 2.473 178.413 176.094 -0.257 0.000 1.055 294 V CA 1.217 63.366 62.300 -0.252 0.000 1.038 294 V CB -0.332 31.319 31.823 -0.287 0.000 0.651 294 V HN 0.226 8.416 8.190 -0.000 0.000 0.450 295 M N -0.267 119.111 119.600 -0.369 0.000 2.175 295 M HA -0.153 4.324 4.480 -0.006 0.000 0.264 295 M C 2.183 178.383 176.300 -0.167 0.000 1.063 295 M CA 1.659 56.725 55.300 -0.390 0.000 1.119 295 M CB -1.177 31.001 32.600 -0.703 0.000 1.377 295 M HN 0.394 8.684 8.290 -0.000 0.000 0.415 296 K N 0.506 120.835 120.400 -0.118 0.000 2.032 296 K HA -0.184 4.132 4.320 -0.006 0.000 0.209 296 K C 1.720 178.290 176.600 -0.049 0.000 1.048 296 K CA 1.315 57.572 56.287 -0.049 0.000 0.927 296 K CB 0.088 32.561 32.500 -0.046 0.000 0.712 296 K HN 0.194 8.444 8.250 -0.000 0.000 0.441 297 E N 0.907 121.066 120.200 -0.067 0.000 2.110 297 E HA -0.188 4.159 4.350 -0.006 0.000 0.193 297 E C 2.037 178.623 176.600 -0.024 0.000 0.988 297 E CA 0.719 57.092 56.400 -0.046 0.000 0.804 297 E CB -0.258 29.412 29.700 -0.050 0.000 0.745 297 E HN 0.264 8.624 8.360 -0.000 0.000 0.458 298 L N 1.020 122.224 121.223 -0.032 0.000 2.046 298 L HA -0.101 4.235 4.340 -0.006 0.000 0.208 298 L C 2.205 179.093 176.870 0.029 0.000 1.077 298 L CA 1.273 56.129 54.840 0.026 0.000 0.747 298 L CB -0.416 41.639 42.059 -0.007 0.000 0.896 298 L HN 0.028 8.258 8.230 -0.000 0.000 0.432 299 I N -1.124 119.449 120.570 0.003 0.000 2.226 299 I HA -0.317 3.849 4.170 -0.006 0.000 0.245 299 I C 2.198 178.272 176.117 -0.073 0.000 1.100 299 I CA 1.638 62.932 61.300 -0.011 0.000 1.374 299 I CB -0.627 37.392 38.000 0.032 0.000 1.057 299 I HN 0.265 8.475 8.210 -0.000 0.000 0.413 300 T N 1.280 115.800 114.554 -0.057 0.000 2.720 300 T HA -0.156 4.190 4.350 -0.006 0.000 0.268 300 T C 1.918 176.544 174.700 -0.122 0.000 1.037 300 T CA 1.354 63.407 62.100 -0.080 0.000 1.144 300 T CB -0.307 68.527 68.868 -0.056 0.000 0.864 300 T HN 0.251 8.491 8.240 -0.000 0.000 0.444 301 L N 0.640 121.818 121.223 -0.074 0.000 2.056 301 L HA -0.059 4.278 4.340 -0.006 0.000 0.207 301 L C 3.076 179.779 176.870 -0.278 0.000 1.078 301 L CA 1.155 55.973 54.840 -0.037 0.000 0.749 301 L CB -0.726 41.463 42.059 0.216 0.000 0.901 301 L HN 0.234 8.464 8.230 -0.000 0.000 0.433 302 A N 0.022 122.506 122.820 -0.559 0.000 1.908 302 A HA -0.155 4.162 4.320 -0.006 0.000 0.218 302 A C 1.501 178.687 177.584 -0.662 0.000 1.181 302 A CA 1.192 52.471 52.037 -1.263 0.000 0.627 302 A CB -0.345 18.210 19.000 -0.742 0.000 0.818 302 A HN 0.287 8.437 8.150 -0.000 0.000 0.445 306 E N 0.486 120.665 120.200 -0.034 0.000 2.442 306 E HA -0.162 4.184 4.350 -0.006 0.000 0.177 306 E C -1.015 175.637 176.600 0.086 0.000 1.505 306 E CA 0.826 57.208 56.400 -0.030 0.000 0.662 306 E CB -1.678 28.032 29.700 0.017 0.000 1.117 306 E HN 0.351 8.711 8.360 -0.000 0.000 0.375 307 F N -1.593 118.388 119.950 0.051 0.000 2.626 307 F HA 0.722 5.246 4.527 -0.006 0.000 0.311 307 F C -0.877 174.953 175.800 0.050 0.000 1.088 307 F CA -1.665 56.359 58.000 0.040 0.000 0.949 307 F CB 0.692 39.718 39.000 0.044 0.000 1.322 307 F HN -0.118 8.182 8.300 -0.000 0.000 0.461 308 L N 2.488 123.895 121.223 0.307 0.000 2.399 308 L HA 0.498 4.834 4.340 -0.006 0.000 0.266 308 L C -0.164 176.928 176.870 0.371 0.000 1.114 308 L CA -0.404 54.572 54.840 0.228 0.000 0.804 308 L CB 1.114 43.255 42.059 0.137 0.000 1.146 308 L HN 0.588 8.818 8.230 -0.000 0.000 0.451 309 I N 2.510 123.266 120.570 0.310 0.000 2.321 309 I HA 0.233 4.399 4.170 -0.006 0.000 0.291 309 I C -1.021 175.313 176.117 0.362 0.000 0.998 309 I CA -0.362 61.159 61.300 0.368 0.000 1.227 309 I CB 1.127 39.373 38.000 0.410 0.000 1.368 309 I HN 0.312 8.522 8.210 -0.000 0.000 0.466 310 F N 7.137 127.169 119.950 0.136 0.000 2.445 310 F HA 0.454 4.977 4.527 -0.007 0.000 0.348 310 F C -0.208 175.618 175.800 0.044 0.000 1.125 310 F CA -1.518 56.513 58.000 0.051 0.000 0.983 310 F CB 1.113 40.110 39.000 -0.006 0.000 1.198 310 F HN 0.391 8.691 8.300 -0.000 0.000 0.436 311 E N 4.258 124.570 120.200 0.187 0.000 2.130 311 E HA 0.162 4.508 4.350 -0.006 0.000 0.284 311 E C -0.689 175.736 176.600 -0.291 0.000 1.018 311 E CA -0.011 56.349 56.400 -0.066 0.000 0.817 311 E CB 0.401 30.113 29.700 0.020 0.000 1.078 311 E HN 0.487 8.847 8.360 -0.000 0.000 0.396 312 N N 4.135 122.450 118.700 -0.642 0.000 3.303 312 N HA 0.035 4.771 4.740 -0.006 0.000 0.304 312 N C 0.496 175.842 175.510 -0.273 0.000 1.302 312 N CA -0.053 52.617 53.050 -0.634 0.000 1.213 312 N CB -0.055 37.843 38.487 -0.981 0.000 1.481 312 N HN 0.400 8.780 8.380 -0.000 0.000 0.546 313 R N 1.545 121.882 120.500 -0.272 0.000 2.193 313 R HA 0.114 4.450 4.340 -0.006 0.000 0.213 313 R C -0.016 176.041 176.300 -0.405 0.000 1.055 313 R CA 0.776 56.623 56.100 -0.422 0.000 0.995 313 R CB -0.123 29.669 30.300 -0.845 0.000 0.893 313 R HN 0.276 8.546 8.270 -0.000 0.000 0.459 314 K N 0.360 120.600 120.400 -0.267 0.000 3.148 314 K HA -0.191 4.125 4.320 -0.006 0.000 0.267 314 K C -0.977 175.581 176.600 -0.071 0.000 0.996 314 K CA 0.453 56.644 56.287 -0.160 0.000 0.737 314 K CB -2.015 30.433 32.500 -0.085 0.000 1.308 314 K HN 0.094 8.344 8.250 -0.000 0.000 0.470 315 F N 0.726 120.672 119.950 -0.007 0.000 2.635 315 F HA -0.019 4.506 4.527 -0.003 0.000 0.379 315 F C 1.335 177.174 175.800 0.065 0.000 1.094 315 F CA 1.035 59.043 58.000 0.013 0.000 1.300 315 F CB 0.575 39.547 39.000 -0.046 0.000 1.035 315 F HN 0.328 8.628 8.300 -0.000 0.000 0.581 316 A N 2.147 125.126 122.820 0.265 0.000 3.214 316 A HA 0.354 4.671 4.320 -0.006 0.000 0.203 316 A C -0.780 176.891 177.584 0.145 0.000 0.960 316 A CA -0.395 51.771 52.037 0.215 0.000 1.113 316 A CB -0.231 18.920 19.000 0.252 0.000 1.280 316 A HN 0.610 8.760 8.150 -0.000 0.000 0.573 317 D N -0.300 120.179 120.400 0.132 0.000 2.744 317 D HA 0.470 5.107 4.640 -0.006 0.000 0.304 317 D C 0.224 176.561 176.300 0.062 0.000 1.179 317 D CA -0.381 53.672 54.000 0.089 0.000 1.024 317 D CB 1.397 42.253 40.800 0.092 0.000 1.453 317 D HN 0.524 8.894 8.370 -0.000 0.000 0.529 318 I N -1.002 119.594 120.570 0.043 0.000 2.892 318 I HA 0.314 4.481 4.170 -0.006 0.000 0.287 318 I C 1.454 177.579 176.117 0.014 0.000 1.205 318 I CA -0.008 61.306 61.300 0.024 0.000 1.409 318 I CB 0.486 38.498 38.000 0.020 0.000 1.367 318 I HN 0.383 8.593 8.210 -0.000 0.000 0.597 319 G N 3.607 112.404 108.800 -0.005 0.000 2.469 319 G HA2 -0.327 3.629 3.960 -0.006 0.000 0.219 319 G HA3 -0.327 3.629 3.960 -0.006 0.000 0.219 319 G C 1.342 176.229 174.900 -0.021 0.000 1.150 319 G CA 1.068 46.154 45.100 -0.025 0.000 0.763 319 G HN 0.943 9.233 8.290 -0.000 0.000 0.561 320 N N 0.001 118.697 118.700 -0.007 0.000 2.166 320 N HA -0.119 4.618 4.740 -0.006 0.000 0.186 320 N C 2.070 177.585 175.510 0.009 0.000 1.019 320 N CA 1.742 54.790 53.050 -0.003 0.000 0.856 320 N CB -0.082 38.406 38.487 0.002 0.000 0.993 320 N HN 0.254 8.634 8.380 -0.000 0.000 0.426 321 T N 0.853 115.420 114.554 0.023 0.000 2.770 321 T HA -0.073 4.274 4.350 -0.006 0.000 0.263 321 T C 2.060 176.797 174.700 0.061 0.000 1.039 321 T CA 1.443 63.570 62.100 0.046 0.000 1.142 321 T CB -0.302 68.601 68.868 0.058 0.000 0.868 321 T HN 0.321 8.561 8.240 -0.000 0.000 0.435 322 V N 2.185 122.125 119.914 0.042 0.000 2.490 322 V HA -0.165 3.951 4.120 -0.006 0.000 0.250 322 V C 2.320 178.366 176.094 -0.079 0.000 1.061 322 V CA 1.971 64.277 62.300 0.009 0.000 1.064 322 V CB -1.018 30.767 31.823 -0.063 0.000 0.670 322 V HN 0.594 8.784 8.190 -0.000 0.000 0.461 323 K N 1.003 121.373 120.400 -0.050 0.000 2.097 323 K HA -0.181 4.135 4.320 -0.006 0.000 0.206 323 K C 2.158 178.770 176.600 0.020 0.000 1.049 323 K CA 1.860 58.129 56.287 -0.029 0.000 0.933 323 K CB -0.445 32.029 32.500 -0.043 0.000 0.717 323 K HN 0.463 8.713 8.250 -0.000 0.000 0.442 324 K N 0.719 121.142 120.400 0.037 0.000 2.103 324 K HA -0.084 4.232 4.320 -0.006 0.000 0.204 324 K C 2.349 179.019 176.600 0.117 0.000 1.052 324 K CA 1.567 57.889 56.287 0.058 0.000 0.945 324 K CB -0.004 32.526 32.500 0.049 0.000 0.722 324 K HN 0.324 8.574 8.250 -0.000 0.000 0.443 325 Q N -0.503 119.403 119.800 0.178 0.000 2.167 325 Q HA -0.182 4.154 4.340 -0.006 0.000 0.202 325 Q C 1.801 178.076 176.000 0.457 0.000 0.970 325 Q CA 1.214 57.207 55.803 0.317 0.000 0.855 325 Q CB -0.092 28.909 28.738 0.438 0.000 0.911 325 Q HN 0.316 8.586 8.270 -0.000 0.000 0.438 326 Y N 1.268 121.647 120.300 0.131 0.000 2.243 326 Y HA -0.094 4.454 4.550 -0.003 0.000 0.293 326 Y C 1.973 177.905 175.900 0.053 0.000 1.124 326 Y CA 1.340 59.478 58.100 0.063 0.000 1.159 326 Y CB 0.014 38.273 38.460 -0.334 0.000 1.008 326 Y HN 0.067 8.347 8.280 -0.000 0.000 0.527 327 E N -0.531 119.691 120.200 0.037 0.000 2.122 327 E HA 0.118 4.464 4.350 -0.006 0.000 0.190 327 E C 1.284 177.899 176.600 0.024 0.000 0.977 327 E CA 0.596 56.950 56.400 -0.075 0.000 0.820 327 E CB -0.149 29.499 29.700 -0.087 0.000 0.770 327 E HN 0.440 8.800 8.360 -0.000 0.000 0.462 328 G N -0.696 108.149 108.800 0.076 0.000 2.890 328 G HA2 0.502 4.458 3.960 -0.006 0.000 0.189 328 G HA3 0.502 4.458 3.960 -0.006 0.000 0.189 328 G C 0.243 175.199 174.900 0.093 0.000 1.342 328 G CA -0.168 44.976 45.100 0.072 0.000 1.026 328 G HN 0.484 8.774 8.290 -0.000 0.000 0.579 329 G N -0.924 107.907 108.800 0.052 0.000 2.697 329 G HA2 -0.144 3.813 3.960 -0.006 0.000 0.240 329 G HA3 -0.144 3.813 3.960 -0.006 0.000 0.240 329 G C 1.087 175.987 174.900 0.001 0.000 1.346 329 G CA 0.711 45.813 45.100 0.004 0.000 0.887 329 G HN 1.604 9.894 8.290 -0.000 0.000 0.569 330 I N -3.396 117.100 120.570 -0.124 0.000 2.617 330 I HA 0.207 4.374 4.170 -0.006 0.000 0.256 330 I C 2.276 178.461 176.117 0.114 0.000 1.167 330 I CA 1.428 62.692 61.300 -0.060 0.000 1.469 330 I CB -0.319 37.581 38.000 -0.166 0.000 1.098 330 I HN 0.270 8.480 8.210 -0.000 0.000 0.436 331 F N 1.863 121.882 119.950 0.116 0.000 2.367 331 F HA 0.175 4.697 4.527 -0.007 0.000 0.298 331 F C 1.140 177.210 175.800 0.449 0.000 1.094 331 F CA -0.240 57.851 58.000 0.151 0.000 1.409 331 F CB -0.676 38.324 39.000 -0.001 0.000 1.064 331 F HN 0.005 8.305 8.300 -0.000 0.000 0.528 332 K N 0.727 121.387 120.400 0.432 0.000 3.490 332 K HA -0.249 4.067 4.320 -0.006 0.000 0.273 332 K C 1.026 177.708 176.600 0.136 0.000 0.916 332 K CA 0.164 56.618 56.287 0.278 0.000 0.718 332 K CB -1.808 30.856 32.500 0.273 0.000 1.477 332 K HN 0.364 8.614 8.250 -0.000 0.000 0.452 333 I N 0.233 120.837 120.570 0.056 0.000 2.208 333 I HA -0.330 3.836 4.170 -0.006 0.000 0.245 333 I C 2.488 178.240 176.117 -0.608 0.000 1.097 333 I CA 1.807 62.845 61.300 -0.436 0.000 1.363 333 I CB -0.254 37.737 38.000 -0.016 0.000 1.051 333 I HN 0.586 8.796 8.210 -0.000 0.000 0.413 334 A N -0.277 122.351 122.820 -0.320 0.000 2.070 334 A HA -0.161 4.155 4.320 -0.006 0.000 0.220 334 A C 2.400 179.823 177.584 -0.268 0.000 1.159 334 A CA 1.870 53.635 52.037 -0.454 0.000 0.656 334 A CB -0.523 17.965 19.000 -0.853 0.000 0.800 334 A HN 0.401 8.551 8.150 -0.000 0.000 0.453 335 S N -1.212 114.375 115.700 -0.188 0.000 2.453 335 S HA -0.063 4.403 4.470 -0.006 0.000 0.231 335 S C 1.354 176.027 174.600 0.122 0.000 1.005 335 S CA 0.978 59.179 58.200 0.003 0.000 0.949 335 S CB -0.318 62.960 63.200 0.129 0.000 0.774 335 S HN 1.020 9.330 8.310 -0.000 0.000 0.510 336 W N -0.159 121.211 121.300 0.116 0.000 2.661 336 W HA 0.599 5.256 4.660 -0.005 0.000 0.288 336 W C -0.026 176.573 176.519 0.133 0.000 1.014 336 W CA -0.250 57.164 57.345 0.115 0.000 1.396 336 W CB -0.074 29.462 29.460 0.127 0.000 0.963 336 W HN 0.085 8.265 8.180 -0.000 0.000 0.584 337 A N 2.860 125.564 122.820 -0.193 0.000 2.269 337 A HA 0.235 4.551 4.320 -0.006 0.000 0.302 337 A C 1.005 178.643 177.584 0.090 0.000 1.266 337 A CA -0.092 51.920 52.037 -0.042 0.000 0.894 337 A CB 0.408 19.199 19.000 -0.348 0.000 1.147 337 A HN 0.136 8.286 8.150 -0.000 0.000 0.537 338 D N 1.762 122.255 120.400 0.155 0.000 2.117 338 D HA -0.070 4.566 4.640 -0.006 0.000 0.197 338 D C 0.332 176.677 176.300 0.076 0.000 0.987 338 D CA 1.512 55.582 54.000 0.117 0.000 0.829 338 D CB 0.125 40.991 40.800 0.110 0.000 0.961 338 D HN 0.506 8.876 8.370 -0.000 0.000 0.460 339 L N 0.404 121.674 121.223 0.078 0.000 2.370 339 L HA 0.397 4.734 4.340 -0.006 0.000 0.266 339 L C -0.132 176.809 176.870 0.119 0.000 1.002 339 L CA -0.898 53.925 54.840 -0.029 0.000 0.818 339 L CB 2.635 44.557 42.059 -0.227 0.000 1.325 339 L HN -0.200 8.030 8.230 -0.000 0.000 0.418 340 V N -1.177 118.748 119.914 0.017 0.000 3.164 340 V HA 0.753 4.869 4.120 -0.006 0.000 0.313 340 V C -1.188 174.933 176.094 0.045 0.000 1.188 340 V CA -0.721 61.669 62.300 0.150 0.000 1.058 340 V CB 2.070 33.971 31.823 0.131 0.000 1.110 340 V HN 0.901 9.091 8.190 -0.000 0.000 0.453 341 N N 0.205 119.008 118.700 0.170 0.000 2.405 341 N HA 0.882 5.618 4.740 -0.006 0.000 0.285 341 N C -0.858 174.698 175.510 0.077 0.000 1.262 341 N CA -0.220 52.864 53.050 0.056 0.000 0.773 341 N CB 2.102 40.666 38.487 0.128 0.000 1.490 341 N HN 1.503 9.883 8.380 -0.000 0.000 0.486 342 A N -0.238 122.586 122.820 0.006 0.000 2.515 342 A HA 0.496 4.812 4.320 -0.006 0.000 0.298 342 A C -1.239 176.345 177.584 0.000 0.000 1.059 342 A CA -0.709 51.362 52.037 0.056 0.000 0.698 342 A CB 0.930 19.978 19.000 0.081 0.000 1.289 342 A HN 0.728 8.878 8.150 -0.000 0.000 0.404 343 H N 1.101 120.240 119.070 0.114 0.000 2.629 343 H HA 0.264 4.816 4.556 -0.006 0.000 0.357 343 H C 1.362 176.746 175.328 0.092 0.000 1.121 343 H CA 0.915 57.041 56.048 0.130 0.000 1.406 343 H CB 1.760 31.607 29.762 0.142 0.000 1.456 343 H HN 0.630 8.910 8.280 -0.000 0.000 0.579 344 V N 0.813 120.859 119.914 0.219 0.000 3.647 344 V HA -0.012 4.104 4.120 -0.006 0.000 0.279 344 V C 2.031 178.104 176.094 -0.034 0.000 1.314 344 V CA 0.354 62.667 62.300 0.022 0.000 1.125 344 V CB -0.426 31.335 31.823 -0.104 0.000 0.907 344 V HN 0.462 8.652 8.190 -0.000 0.000 0.434 345 V N 2.331 122.296 119.914 0.084 0.000 2.453 345 V HA -0.120 3.997 4.120 -0.006 0.000 0.252 345 V C 0.489 176.608 176.094 0.040 0.000 1.068 345 V CA 2.966 65.319 62.300 0.087 0.000 1.070 345 V CB -1.027 30.909 31.823 0.188 0.000 0.664 345 V HN 0.633 8.823 8.190 -0.000 0.000 0.461 346 P HA 0.263 4.683 4.420 -0.000 0.000 0.237 346 P C 0.613 177.917 177.300 0.005 0.000 1.178 346 P CA 1.216 64.333 63.100 0.029 0.000 0.766 346 P CB -0.381 31.344 31.700 0.041 0.000 0.876 347 G N -0.162 108.629 108.800 -0.015 0.000 2.710 347 G HA2 -0.170 3.787 3.960 -0.006 0.000 0.668 347 G HA3 -0.170 3.787 3.960 -0.006 0.000 0.668 347 G C 0.874 175.754 174.900 -0.033 0.000 1.320 347 G CA -0.082 45.003 45.100 -0.025 0.000 0.860 347 G HN 0.178 8.468 8.290 -0.000 0.000 0.538 348 S N -0.680 115.001 115.700 -0.033 0.000 2.507 348 S HA 0.128 4.594 4.470 -0.006 0.000 0.235 348 S C 2.524 177.060 174.600 -0.107 0.000 0.988 348 S CA 1.618 59.769 58.200 -0.081 0.000 0.944 348 S CB -0.286 62.912 63.200 -0.004 0.000 0.762 348 S HN 2.226 10.536 8.310 -0.000 0.000 0.526 349 G N 1.322 110.092 108.800 -0.049 0.000 2.485 349 G HA2 -0.176 3.780 3.960 -0.006 0.000 0.221 349 G HA3 -0.176 3.780 3.960 -0.006 0.000 0.221 349 G C 1.383 176.249 174.900 -0.058 0.000 1.115 349 G CA 0.812 45.886 45.100 -0.044 0.000 0.751 349 G HN 0.506 8.796 8.290 -0.000 0.000 0.567 350 V N 0.278 120.161 119.914 -0.051 0.000 2.427 350 V HA -0.139 3.977 4.120 -0.006 0.000 0.248 350 V C 2.909 178.956 176.094 -0.078 0.000 1.051 350 V CA 1.927 64.203 62.300 -0.040 0.000 1.048 350 V CB -0.114 31.714 31.823 0.009 0.000 0.666 350 V HN 0.219 8.409 8.190 -0.000 0.000 0.456 351 V N 0.032 119.874 119.914 -0.119 0.000 2.323 351 V HA -0.209 3.907 4.120 -0.006 0.000 0.244 351 V C 2.500 178.511 176.094 -0.139 0.000 1.041 351 V CA 2.291 64.515 62.300 -0.126 0.000 1.025 351 V CB -0.759 30.876 31.823 -0.313 0.000 0.656 351 V HN 0.523 8.713 8.190 -0.000 0.000 0.451 352 K N 0.452 120.752 120.400 -0.167 0.000 2.063 352 K HA -0.127 4.190 4.320 -0.006 0.000 0.208 352 K C 2.258 178.789 176.600 -0.116 0.000 1.048 352 K CA 1.555 57.779 56.287 -0.106 0.000 0.928 352 K CB -0.655 31.816 32.500 -0.049 0.000 0.713 352 K HN 0.554 8.804 8.250 -0.000 0.000 0.442 353 G N 1.517 110.254 108.800 -0.105 0.000 2.421 353 G HA2 -0.212 3.744 3.960 -0.006 0.000 0.216 353 G HA3 -0.212 3.744 3.960 -0.006 0.000 0.216 353 G C 1.517 176.332 174.900 -0.142 0.000 1.171 353 G CA 0.476 45.514 45.100 -0.103 0.000 0.775 353 G HN 0.084 8.374 8.290 -0.000 0.000 0.543 354 L N 0.848 121.964 121.223 -0.179 0.000 2.083 354 L HA -0.136 4.200 4.340 -0.006 0.000 0.209 354 L C 3.223 179.878 176.870 -0.359 0.000 1.083 354 L CA 1.672 56.394 54.840 -0.197 0.000 0.752 354 L CB -0.472 41.467 42.059 -0.200 0.000 0.899 354 L HN 0.484 8.714 8.230 -0.000 0.000 0.433 355 Q N 0.072 119.505 119.800 -0.613 0.000 2.291 355 Q HA -0.256 4.080 4.340 -0.006 0.000 0.205 355 Q C 1.857 177.565 176.000 -0.486 0.000 0.970 355 Q CA 1.502 56.702 55.803 -1.004 0.000 0.876 355 Q CB -0.389 27.910 28.738 -0.732 0.000 0.935 355 Q HN 0.523 8.793 8.270 -0.000 0.000 0.455 356 E N 0.598 120.630 120.200 -0.280 0.000 2.130 356 E HA -0.190 4.156 4.350 -0.006 0.000 0.196 356 E C 1.594 178.088 176.600 -0.175 0.000 0.998 356 E CA 1.638 57.931 56.400 -0.178 0.000 0.806 356 E CB 0.202 29.830 29.700 -0.119 0.000 0.738 356 E HN 0.360 8.720 8.360 -0.000 0.000 0.459 357 V N -0.592 119.208 119.914 -0.191 0.000 2.575 357 V HA 0.042 4.159 4.120 -0.006 0.000 0.242 357 V C 2.215 178.157 176.094 -0.253 0.000 1.045 357 V CA 1.383 63.550 62.300 -0.222 0.000 1.065 357 V CB 0.118 31.769 31.823 -0.287 0.000 0.717 357 V HN 0.428 8.618 8.190 -0.000 0.000 0.467 358 G N -0.282 108.390 108.800 -0.213 0.000 2.408 358 G HA2 -0.100 3.856 3.960 -0.006 0.000 0.215 358 G HA3 -0.100 3.856 3.960 -0.006 0.000 0.215 358 G C 1.573 176.446 174.900 -0.045 0.000 1.156 358 G CA 0.484 45.572 45.100 -0.020 0.000 0.793 358 G HN 0.391 8.681 8.290 -0.000 0.000 0.535 359 L N 0.826 121.905 121.223 -0.240 0.000 1.994 359 L HA -0.040 4.297 4.340 -0.006 0.000 0.208 359 L C 0.139 176.920 176.870 -0.150 0.000 1.071 359 L CA 1.175 55.934 54.840 -0.135 0.000 0.745 359 L CB -1.135 40.823 42.059 -0.168 0.000 0.892 359 L HN 0.164 8.394 8.230 -0.000 0.000 0.431 360 P HA -0.162 4.258 4.420 -0.000 0.000 0.218 360 P C 1.523 178.857 177.300 0.058 0.000 1.148 360 P CA 1.400 64.464 63.100 -0.060 0.000 0.822 360 P CB 0.068 31.735 31.700 -0.054 0.000 0.784 361 L N -2.901 118.349 121.223 0.046 0.000 2.611 361 L HA 0.144 4.481 4.340 -0.006 0.000 0.229 361 L C 0.019 177.042 176.870 0.255 0.000 1.137 361 L CA 0.000 54.916 54.840 0.126 0.000 0.901 361 L CB -1.067 40.991 42.059 -0.002 0.000 1.098 361 L HN 0.100 8.330 8.230 -0.000 0.000 0.456 362 H N -0.834 118.279 119.070 0.072 0.000 2.862 362 H HA -0.125 4.426 4.556 -0.009 0.000 0.290 362 H C 0.215 175.659 175.328 0.193 0.000 1.211 362 H CA 0.187 56.302 56.048 0.111 0.000 1.140 362 H CB -1.169 28.624 29.762 0.053 0.000 1.341 362 H HN 0.185 8.465 8.280 -0.000 0.000 0.392 363 R N 0.059 120.749 120.500 0.317 0.000 2.607 363 R HA 0.792 5.128 4.340 -0.006 0.000 0.261 363 R C 1.077 177.530 176.300 0.255 0.000 1.051 363 R CA -0.073 56.211 56.100 0.308 0.000 1.110 363 R CB 0.991 31.512 30.300 0.368 0.000 1.158 363 R HN 0.286 8.556 8.270 -0.000 0.000 0.543 364 G N -1.117 107.640 108.800 -0.071 0.000 2.569 364 G HA2 0.524 4.480 3.960 -0.006 0.000 0.300 364 G HA3 0.524 4.480 3.960 -0.006 0.000 0.300 364 G C -1.344 173.109 174.900 -0.744 0.000 1.269 364 G CA -0.318 44.435 45.100 -0.579 0.000 0.959 364 G HN 0.563 8.853 8.290 -0.000 0.000 0.478 365 C N 0.444 119.115 119.300 -1.048 0.000 2.712 365 C HA 0.821 5.277 4.460 -0.006 0.000 0.308 365 C C -0.644 173.987 174.990 -0.597 0.000 1.201 365 C CA -0.701 57.817 59.018 -0.834 0.000 1.554 365 C CB 0.339 27.404 27.740 -1.125 0.000 2.117 365 C HN 0.633 8.863 8.230 -0.000 0.000 0.480 366 L N 5.064 126.013 121.223 -0.457 0.000 2.329 366 L HA 0.611 4.947 4.340 -0.006 0.000 0.279 366 L C -0.580 176.137 176.870 -0.255 0.000 1.014 366 L CA -0.511 54.087 54.840 -0.402 0.000 0.814 366 L CB 1.398 43.198 42.059 -0.432 0.000 1.257 366 L HN 0.490 8.720 8.230 -0.000 0.000 0.424 367 L N 3.769 124.854 121.223 -0.230 0.000 2.309 367 L HA 0.486 4.823 4.340 -0.006 0.000 0.282 367 L C -0.234 176.706 176.870 0.116 0.000 1.036 367 L CA -0.636 54.178 54.840 -0.042 0.000 0.806 367 L CB 2.030 44.088 42.059 -0.002 0.000 1.220 367 L HN 0.489 8.719 8.230 -0.000 0.000 0.429 368 I N 2.705 123.341 120.570 0.110 0.000 2.329 368 I HA 0.092 4.259 4.170 -0.006 0.000 0.295 368 I C 1.037 177.324 176.117 0.283 0.000 1.109 368 I CA 0.189 61.585 61.300 0.159 0.000 1.297 368 I CB 1.246 39.266 38.000 0.035 0.000 1.433 368 I HN 0.790 9.000 8.210 -0.000 0.000 0.509 369 A N 5.630 128.614 122.820 0.273 0.000 2.044 369 A HA 0.207 4.523 4.320 -0.006 0.000 0.213 369 A C 0.710 178.408 177.584 0.190 0.000 1.169 369 A CA 0.681 52.853 52.037 0.225 0.000 0.724 369 A CB 0.216 19.248 19.000 0.054 0.000 0.840 369 A HN 0.677 8.827 8.150 -0.000 0.000 0.463 370 E N -1.406 118.881 120.200 0.144 0.000 2.413 370 E HA 0.630 4.976 4.350 -0.006 0.000 0.277 370 E C -1.422 175.228 176.600 0.083 0.000 0.958 370 E CA -0.564 55.887 56.400 0.085 0.000 0.779 370 E CB 1.898 31.626 29.700 0.047 0.000 1.278 370 E HN 0.249 8.609 8.360 -0.000 0.000 0.456 371 M N 0.725 120.350 119.600 0.042 0.000 2.644 371 M HA 0.235 4.712 4.480 -0.006 0.000 0.304 371 M C 0.669 176.974 176.300 0.007 0.000 1.215 371 M CA -0.656 54.667 55.300 0.039 0.000 0.871 371 M CB 2.083 34.705 32.600 0.038 0.000 1.740 371 M HN 0.631 8.921 8.290 -0.000 0.000 0.464 372 S N -0.977 114.724 115.700 0.000 0.000 2.528 372 S HA 0.063 4.529 4.470 -0.006 0.000 0.219 372 S C 0.581 175.142 174.600 -0.064 0.000 0.985 372 S CA -0.119 58.063 58.200 -0.030 0.000 0.914 372 S CB -0.406 62.771 63.200 -0.038 0.000 0.776 372 S HN 0.708 9.018 8.310 -0.000 0.000 0.526 373 S N 1.262 116.929 115.700 -0.056 0.000 2.646 373 S HA 0.486 4.953 4.470 -0.006 0.000 0.276 373 S C -0.131 174.432 174.600 -0.061 0.000 1.222 373 S CA -0.677 57.481 58.200 -0.070 0.000 1.014 373 S CB 0.724 63.890 63.200 -0.057 0.000 0.991 373 S HN 0.186 8.496 8.310 -0.000 0.000 0.533 374 T N 1.971 116.487 114.554 -0.063 0.000 2.853 374 T HA 0.478 4.825 4.350 -0.006 0.000 0.298 374 T C 1.403 176.073 174.700 -0.049 0.000 0.978 374 T CA 0.859 62.928 62.100 -0.052 0.000 1.152 374 T CB 0.007 68.846 68.868 -0.047 0.000 0.914 374 T HN 1.510 9.750 8.240 -0.000 0.000 0.539 375 G N 2.822 111.593 108.800 -0.048 0.000 2.175 375 G HA2 -0.267 3.689 3.960 -0.006 0.000 0.244 375 G HA3 -0.267 3.689 3.960 -0.006 0.000 0.244 375 G C 0.434 175.293 174.900 -0.067 0.000 0.982 375 G CA 0.085 45.154 45.100 -0.052 0.000 0.641 375 G HN 0.974 9.264 8.290 -0.000 0.000 0.527 376 S N -0.211 115.447 115.700 -0.071 0.000 2.593 376 S HA 0.259 4.725 4.470 -0.006 0.000 0.300 376 S C 1.629 176.152 174.600 -0.127 0.000 1.267 376 S CA 0.369 58.512 58.200 -0.095 0.000 1.065 376 S CB 0.180 63.334 63.200 -0.076 0.000 0.807 376 S HN 0.545 8.855 8.310 -0.000 0.000 0.499 377 L N 3.985 125.090 121.223 -0.197 0.000 2.607 377 L HA 0.272 4.608 4.340 -0.006 0.000 0.228 377 L C 1.369 177.986 176.870 -0.421 0.000 1.123 377 L CA -0.047 54.645 54.840 -0.246 0.000 0.890 377 L CB -0.333 41.578 42.059 -0.247 0.000 1.103 377 L HN 0.742 8.972 8.230 -0.000 0.000 0.468 378 A N 1.218 123.786 122.820 -0.421 0.000 3.056 378 A HA 0.445 4.761 4.320 -0.006 0.000 0.274 378 A C 0.489 178.024 177.584 -0.083 0.000 1.661 378 A CA -0.061 51.714 52.037 -0.438 0.000 1.363 378 A CB -0.819 18.056 19.000 -0.208 0.000 1.139 378 A HN 0.319 8.469 8.150 -0.000 0.000 0.598 379 T N -3.050 111.483 114.554 -0.035 0.000 2.865 379 T HA 0.773 5.119 4.350 -0.006 0.000 0.294 379 T C 0.746 175.484 174.700 0.064 0.000 1.119 379 T CA 0.197 62.306 62.100 0.015 0.000 1.007 379 T CB 1.204 70.060 68.868 -0.019 0.000 1.225 379 T HN 2.036 10.276 8.240 -0.000 0.000 0.515 380 G N 1.609 110.432 108.800 0.039 0.000 2.622 380 G HA2 -0.326 3.630 3.960 -0.006 0.000 0.307 380 G HA3 -0.326 3.630 3.960 -0.006 0.000 0.307 380 G C 0.482 175.416 174.900 0.057 0.000 1.226 380 G CA 0.874 45.996 45.100 0.037 0.000 0.997 380 G HN 0.833 9.123 8.290 -0.000 0.000 0.551 381 D N -0.627 119.810 120.400 0.061 0.000 2.218 381 D HA -0.017 4.619 4.640 -0.006 0.000 0.204 381 D C 1.831 178.177 176.300 0.076 0.000 0.976 381 D CA 1.647 55.678 54.000 0.052 0.000 0.853 381 D CB -0.205 40.620 40.800 0.043 0.000 0.939 381 D HN 0.467 8.837 8.370 -0.000 0.000 0.481 382 Y N 1.329 121.628 120.300 -0.001 0.000 2.163 382 Y HA -0.238 4.309 4.550 -0.006 0.000 0.288 382 Y C 2.335 178.239 175.900 0.008 0.000 1.136 382 Y CA 1.794 59.899 58.100 0.008 0.000 1.147 382 Y CB -0.223 38.243 38.460 0.009 0.000 0.987 382 Y HN -0.112 8.168 8.280 -0.000 0.000 0.509 383 T N 0.643 115.345 114.554 0.247 0.000 2.746 383 T HA -0.179 4.167 4.350 -0.006 0.000 0.267 383 T C 1.841 176.541 174.700 0.000 0.000 1.039 383 T CA 1.707 63.881 62.100 0.123 0.000 1.142 383 T CB -0.246 68.660 68.868 0.063 0.000 0.866 383 T HN 0.330 8.570 8.240 -0.000 0.000 0.444 384 R N 0.870 121.367 120.500 -0.006 0.000 2.105 384 R HA -0.000 4.336 4.340 -0.006 0.000 0.239 384 R C 2.792 179.067 176.300 -0.042 0.000 1.135 384 R CA 1.298 57.377 56.100 -0.034 0.000 0.967 384 R CB -0.444 29.844 30.300 -0.019 0.000 0.861 384 R HN 0.373 8.643 8.270 -0.000 0.000 0.442 385 A N 1.085 123.870 122.820 -0.059 0.000 1.930 385 A HA -0.071 4.246 4.320 -0.006 0.000 0.217 385 A C 2.345 179.885 177.584 -0.073 0.000 1.175 385 A CA 1.531 53.518 52.037 -0.085 0.000 0.627 385 A CB -0.509 18.399 19.000 -0.153 0.000 0.815 385 A HN 0.392 8.542 8.150 -0.000 0.000 0.443 386 A N -0.498 122.276 122.820 -0.076 0.000 1.902 386 A HA 0.003 4.319 4.320 -0.006 0.000 0.217 386 A C 2.225 179.895 177.584 0.143 0.000 1.181 386 A CA 1.784 53.838 52.037 0.028 0.000 0.623 386 A CB -0.895 18.159 19.000 0.090 0.000 0.818 386 A HN 0.367 8.517 8.150 -0.000 0.000 0.443 387 V N -0.001 119.935 119.914 0.036 0.000 2.295 387 V HA -0.254 3.863 4.120 -0.006 0.000 0.246 387 V C 2.646 178.757 176.094 0.028 0.000 1.049 387 V CA 2.287 64.592 62.300 0.008 0.000 1.024 387 V CB -0.810 30.907 31.823 -0.178 0.000 0.648 387 V HN 0.675 8.865 8.190 -0.000 0.000 0.447 388 R N -0.305 120.197 120.500 0.003 0.000 2.091 388 R HA -0.215 4.122 4.340 -0.006 0.000 0.238 388 R C 2.375 178.707 176.300 0.053 0.000 1.136 388 R CA 2.290 58.397 56.100 0.012 0.000 0.959 388 R CB -0.319 29.984 30.300 0.005 0.000 0.856 388 R HN 0.503 8.773 8.270 -0.000 0.000 0.437 389 M N -0.088 119.557 119.600 0.075 0.000 2.159 389 M HA -0.136 4.340 4.480 -0.006 0.000 0.263 389 M C 2.092 178.506 176.300 0.189 0.000 1.063 389 M CA 1.974 57.360 55.300 0.143 0.000 1.110 389 M CB -0.078 32.559 32.600 0.060 0.000 1.374 389 M HN 0.326 8.616 8.290 -0.000 0.000 0.411 390 A N 0.283 123.153 122.820 0.084 0.000 1.877 390 A HA -0.195 4.122 4.320 -0.006 0.000 0.216 390 A C 1.842 179.441 177.584 0.026 0.000 1.186 390 A CA 1.956 53.981 52.037 -0.020 0.000 0.620 390 A CB -0.834 17.991 19.000 -0.292 0.000 0.822 390 A HN 0.666 8.816 8.150 -0.000 0.000 0.443 391 E N -0.284 119.874 120.200 -0.069 0.000 2.204 391 E HA -0.160 4.186 4.350 -0.006 0.000 0.194 391 E C 1.601 178.260 176.600 0.099 0.000 0.989 391 E CA 1.131 57.535 56.400 0.007 0.000 0.824 391 E CB -0.114 29.552 29.700 -0.058 0.000 0.756 391 E HN 0.722 9.082 8.360 -0.000 0.000 0.477 392 E N -0.316 119.911 120.200 0.046 0.000 2.502 392 E HA -0.038 4.308 4.350 -0.006 0.000 0.194 392 E C 0.059 176.448 176.600 -0.351 0.000 1.062 392 E CA 0.368 56.705 56.400 -0.104 0.000 0.867 392 E CB 0.222 29.852 29.700 -0.118 0.000 0.888 392 E HN 0.333 8.693 8.360 -0.000 0.000 0.510 393 H N -1.101 118.026 119.070 0.096 0.000 2.676 393 H HA 0.090 4.642 4.556 -0.007 0.000 0.238 393 H C 1.055 176.472 175.328 0.148 0.000 1.276 393 H CA -0.095 56.019 56.048 0.111 0.000 0.983 393 H CB 0.596 30.419 29.762 0.102 0.000 2.000 393 H HN 0.030 8.310 8.280 -0.000 0.000 0.584 394 S N 0.135 115.962 115.700 0.211 0.000 2.507 394 S HA -0.171 4.295 4.470 -0.006 0.000 0.235 394 S C 1.849 176.550 174.600 0.168 0.000 0.988 394 S CA 0.832 59.155 58.200 0.205 0.000 0.944 394 S CB 0.162 63.474 63.200 0.187 0.000 0.762 394 S HN 0.593 8.903 8.310 -0.000 0.000 0.526 395 E N 0.318 120.632 120.200 0.190 0.000 2.347 395 E HA -0.070 4.276 4.350 -0.006 0.000 0.196 395 E C 1.195 178.036 176.600 0.402 0.000 1.008 395 E CA 0.645 57.177 56.400 0.220 0.000 0.852 395 E CB -0.416 29.362 29.700 0.130 0.000 0.783 395 E HN 0.657 9.017 8.360 -0.000 0.000 0.505 396 F N 0.626 120.651 119.950 0.125 0.000 2.671 396 F HA 0.235 4.762 4.527 -0.001 0.000 0.303 396 F C 0.226 175.930 175.800 -0.160 0.000 0.935 396 F CA -0.339 57.668 58.000 0.012 0.000 1.136 396 F CB 0.743 39.757 39.000 0.023 0.000 0.929 396 F HN -0.275 8.025 8.300 -0.000 0.000 0.659 397 V N 3.463 123.289 119.914 -0.148 0.000 2.432 397 V HA 0.195 4.311 4.120 -0.006 0.000 0.271 397 V C 1.085 177.033 176.094 -0.244 0.000 1.046 397 V CA 0.364 62.489 62.300 -0.292 0.000 0.945 397 V CB 0.884 32.644 31.823 -0.105 0.000 0.992 397 V HN 0.214 8.404 8.190 -0.000 0.000 0.471 398 V N 1.894 121.561 119.914 -0.411 0.000 3.528 398 V HA 0.828 4.945 4.120 -0.006 0.000 0.294 398 V C 0.640 176.563 176.094 -0.284 0.000 1.404 398 V CA 0.878 62.944 62.300 -0.390 0.000 1.065 398 V CB -0.084 31.457 31.823 -0.471 0.000 0.904 398 V HN 1.077 9.267 8.190 -0.000 0.000 0.435 399 G N -0.026 108.546 108.800 -0.379 0.000 2.367 399 G HA2 0.438 4.394 3.960 -0.006 0.000 0.272 399 G HA3 0.438 4.394 3.960 -0.006 0.000 0.272 399 G C -1.807 172.522 174.900 -0.952 0.000 1.271 399 G CA -0.493 44.264 45.100 -0.572 0.000 0.893 399 G HN 0.179 8.469 8.290 -0.000 0.000 0.485 400 F N -0.304 119.561 119.950 -0.141 0.000 2.599 400 F HA 0.681 5.206 4.527 -0.005 0.000 0.311 400 F C -0.053 175.724 175.800 -0.039 0.000 1.076 400 F CA -1.062 56.893 58.000 -0.074 0.000 0.937 400 F CB 2.035 41.032 39.000 -0.005 0.000 1.282 400 F HN 0.189 8.489 8.300 -0.000 0.000 0.460 401 I N 2.491 123.172 120.570 0.184 0.000 2.325 401 I HA 0.472 4.638 4.170 -0.006 0.000 0.291 401 I C 0.045 176.286 176.117 0.207 0.000 1.019 401 I CA -0.030 61.369 61.300 0.165 0.000 1.302 401 I CB 0.420 38.497 38.000 0.128 0.000 1.401 401 I HN 0.717 8.927 8.210 -0.000 0.000 0.485 402 S N 3.104 118.917 115.700 0.187 0.000 2.611 402 S HA 0.580 5.046 4.470 -0.006 0.000 0.268 402 S C 0.309 174.971 174.600 0.103 0.000 1.156 402 S CA -0.267 58.018 58.200 0.141 0.000 0.817 402 S CB 1.380 64.667 63.200 0.144 0.000 1.122 402 S HN 0.634 8.944 8.310 -0.000 0.000 0.466 403 G N -0.204 108.631 108.800 0.058 0.000 2.939 403 G HA2 0.505 4.461 3.960 -0.006 0.000 0.210 403 G HA3 0.505 4.461 3.960 -0.006 0.000 0.210 403 G C 0.096 175.009 174.900 0.021 0.000 1.160 403 G CA 0.236 45.361 45.100 0.042 0.000 0.770 403 G HN 0.854 9.144 8.290 -0.000 0.000 0.543 404 S N -1.715 113.979 115.700 -0.011 0.000 2.643 404 S HA 0.421 4.888 4.470 -0.006 0.000 0.270 404 S C -0.755 173.713 174.600 -0.221 0.000 1.166 404 S CA -0.911 57.243 58.200 -0.076 0.000 0.815 404 S CB 1.789 64.944 63.200 -0.076 0.000 1.139 404 S HN 0.298 8.608 8.310 -0.000 0.000 0.472 405 R N 1.384 121.666 120.500 -0.363 0.000 2.458 405 R HA 0.211 4.547 4.340 -0.006 0.000 0.303 405 R C 0.734 176.767 176.300 -0.445 0.000 1.013 405 R CA 0.275 55.916 56.100 -0.766 0.000 1.026 405 R CB -0.022 30.009 30.300 -0.447 0.000 0.948 405 R HN 0.576 8.846 8.270 -0.000 0.000 0.417 406 V N 0.314 119.988 119.914 -0.399 0.000 3.484 406 V HA 0.206 4.323 4.120 -0.006 0.000 0.252 406 V C 0.528 176.502 176.094 -0.199 0.000 1.282 406 V CA 0.285 62.431 62.300 -0.256 0.000 1.104 406 V CB 0.819 32.426 31.823 -0.360 0.000 0.868 406 V HN 0.520 8.710 8.190 -0.000 0.000 0.457 407 S N 0.524 116.231 115.700 0.011 0.000 2.525 407 S HA 0.556 5.022 4.470 -0.006 0.000 0.290 407 S C 0.613 175.306 174.600 0.156 0.000 1.152 407 S CA -0.635 57.597 58.200 0.054 0.000 1.072 407 S CB 1.422 64.687 63.200 0.109 0.000 1.027 407 S HN 0.266 8.576 8.310 -0.000 0.000 0.500 408 M N 2.919 122.576 119.600 0.095 0.000 2.561 408 M HA 0.185 4.662 4.480 -0.006 0.000 0.238 408 M C 0.078 176.474 176.300 0.160 0.000 1.131 408 M CA 0.616 55.979 55.300 0.104 0.000 1.046 408 M CB -1.123 31.511 32.600 0.056 0.000 1.532 408 M HN 0.503 8.793 8.290 -0.000 0.000 0.497 409 K N 2.058 122.599 120.400 0.234 0.000 2.248 409 K HA 0.189 4.505 4.320 -0.006 0.000 0.281 409 K C -1.618 175.188 176.600 0.344 0.000 1.054 409 K CA -1.451 55.014 56.287 0.297 0.000 0.903 409 K CB 1.174 33.926 32.500 0.421 0.000 1.077 409 K HN -0.096 8.154 8.250 -0.000 0.000 0.474 410 P HA -0.177 4.243 4.420 -0.000 0.000 0.234 410 P C 0.501 177.883 177.300 0.136 0.000 1.167 410 P CA 0.980 64.195 63.100 0.190 0.000 0.763 410 P CB 0.298 32.076 31.700 0.130 0.000 0.835 411 E N -0.243 119.994 120.200 0.062 0.000 2.482 411 E HA -0.061 4.285 4.350 -0.006 0.000 0.196 411 E C -0.079 176.311 176.600 -0.350 0.000 1.047 411 E CA 0.159 56.467 56.400 -0.154 0.000 0.869 411 E CB -0.541 29.003 29.700 -0.259 0.000 0.836 411 E HN 0.231 8.591 8.360 -0.000 0.000 0.520 412 F N 1.332 121.288 119.950 0.010 0.000 2.404 412 F HA 0.299 4.822 4.527 -0.007 0.000 0.339 412 F C 0.628 176.342 175.800 -0.143 0.000 1.105 412 F CA -1.044 56.898 58.000 -0.096 0.000 1.087 412 F CB 1.097 40.078 39.000 -0.031 0.000 1.143 412 F HN -0.168 8.132 8.300 -0.000 0.000 0.491 413 L N 3.136 124.320 121.223 -0.066 0.000 2.375 413 L HA 0.295 4.631 4.340 -0.006 0.000 0.271 413 L C -0.510 176.263 176.870 -0.162 0.000 1.107 413 L CA -0.481 54.316 54.840 -0.071 0.000 0.806 413 L CB 1.016 43.015 42.059 -0.100 0.000 1.146 413 L HN 0.630 8.860 8.230 -0.000 0.000 0.447 414 H N 2.936 122.119 119.070 0.187 0.000 2.511 414 H HA 0.527 5.080 4.556 -0.005 0.000 0.328 414 H C -0.831 174.566 175.328 0.115 0.000 1.044 414 H CA -0.536 55.630 56.048 0.195 0.000 1.212 414 H CB 1.466 31.337 29.762 0.181 0.000 1.428 414 H HN 0.237 8.517 8.280 -0.000 0.000 0.483 415 L N 3.128 124.459 121.223 0.181 0.000 2.313 415 L HA 0.444 4.780 4.340 -0.006 0.000 0.283 415 L C -0.035 176.921 176.870 0.144 0.000 1.013 415 L CA -0.234 54.679 54.840 0.122 0.000 0.816 415 L CB 1.901 43.991 42.059 0.053 0.000 1.236 415 L HN 0.631 8.861 8.230 -0.000 0.000 0.419 416 T N 4.616 119.248 114.554 0.130 0.000 2.815 416 T HA 0.527 4.874 4.350 -0.006 0.000 0.289 416 T C -2.588 172.175 174.700 0.104 0.000 1.000 416 T CA -1.062 61.109 62.100 0.118 0.000 0.958 416 T CB 1.831 70.766 68.868 0.112 0.000 0.944 416 T HN 0.301 8.541 8.240 -0.000 0.000 0.442 417 P HA 0.491 4.911 4.420 -0.000 0.000 0.284 417 P C 0.385 177.739 177.300 0.090 0.000 1.292 417 P CA -0.221 62.931 63.100 0.087 0.000 0.800 417 P CB 0.659 32.405 31.700 0.077 0.000 1.188 418 G N -1.667 107.200 108.800 0.111 0.000 2.341 418 G HA2 -0.070 3.886 3.960 -0.006 0.000 0.278 418 G HA3 -0.070 3.886 3.960 -0.006 0.000 0.278 418 G C -0.571 174.514 174.900 0.308 0.000 1.111 418 G CA -0.233 44.935 45.100 0.114 0.000 0.982 418 G HN 0.471 8.761 8.290 -0.000 0.000 0.502 419 V N 1.265 121.394 119.914 0.357 0.000 2.531 419 V HA 0.831 4.947 4.120 -0.006 0.000 0.301 419 V C 0.153 176.303 176.094 0.093 0.000 1.034 419 V CA 0.009 62.452 62.300 0.238 0.000 0.865 419 V CB 1.799 33.700 31.823 0.130 0.000 0.995 419 V HN 0.974 9.164 8.190 -0.000 0.000 0.424 420 Q N 3.905 123.761 119.800 0.094 0.000 2.534 420 Q HA 0.585 4.921 4.340 -0.006 0.000 0.290 420 Q C -0.541 175.565 176.000 0.178 0.000 0.991 420 Q CA -0.939 54.908 55.803 0.074 0.000 0.783 420 Q CB 1.991 30.506 28.738 -0.372 0.000 1.470 420 Q HN 0.388 8.658 8.270 -0.000 0.000 0.406 421 L N -0.293 121.027 121.223 0.163 0.000 2.056 421 L HA 0.027 4.364 4.340 -0.006 0.000 0.207 421 L C 0.614 177.490 176.870 0.011 0.000 1.078 421 L CA 0.988 55.831 54.840 0.006 0.000 0.749 421 L CB -0.192 41.772 42.059 -0.157 0.000 0.901 421 L HN 0.620 8.850 8.230 -0.000 0.000 0.433 422 E N 0.561 120.764 120.200 0.004 0.000 2.283 422 E HA 0.401 4.747 4.350 -0.006 0.000 0.271 422 E C -0.240 176.384 176.600 0.039 0.000 1.031 422 E CA -0.291 56.115 56.400 0.010 0.000 0.868 422 E CB 1.432 31.130 29.700 -0.003 0.000 1.094 422 E HN 0.083 8.443 8.360 -0.000 0.000 0.401 423 A N 1.078 123.929 122.820 0.052 0.000 2.425 423 A HA 0.557 4.873 4.320 -0.006 0.000 0.242 423 A C 0.647 178.294 177.584 0.105 0.000 1.077 423 A CA 0.881 52.968 52.037 0.083 0.000 0.781 423 A CB 0.214 19.251 19.000 0.060 0.000 1.020 423 A HN 0.677 8.827 8.150 -0.000 0.000 0.494 424 G N -0.814 108.083 108.800 0.162 0.000 2.350 424 G HA2 0.607 4.564 3.960 -0.006 0.000 0.276 424 G HA3 0.607 4.564 3.960 -0.006 0.000 0.276 424 G C -0.326 174.739 174.900 0.275 0.000 1.313 424 G CA 0.119 45.332 45.100 0.188 0.000 0.903 424 G HN 2.145 10.435 8.290 -0.000 0.000 0.490 425 G N -1.025 107.931 108.800 0.261 0.000 2.634 425 G HA2 0.753 4.710 3.960 -0.006 0.000 0.309 425 G HA3 0.753 4.710 3.960 -0.006 0.000 0.309 425 G C -1.543 173.450 174.900 0.154 0.000 1.299 425 G CA 0.853 46.006 45.100 0.088 0.000 0.798 425 G HN 1.370 9.660 8.290 -0.000 0.000 0.490 426 D N -2.008 118.409 120.400 0.029 0.000 2.650 426 D HA 0.337 4.974 4.640 -0.006 0.000 0.255 426 D C 0.030 176.339 176.300 0.015 0.000 1.135 426 D CA -0.846 53.188 54.000 0.058 0.000 1.099 426 D CB 0.679 41.519 40.800 0.065 0.000 1.273 426 D HN 0.109 8.479 8.370 -0.000 0.000 0.628 427 N N -1.023 117.686 118.700 0.015 0.000 2.314 427 N HA 0.163 4.899 4.740 -0.006 0.000 0.200 427 N C -0.077 175.427 175.510 -0.009 0.000 1.135 427 N CA 0.206 53.258 53.050 0.003 0.000 0.835 427 N CB 0.232 38.724 38.487 0.008 0.000 0.989 427 N HN 0.369 8.749 8.380 -0.000 0.000 0.478 428 L N -0.946 120.266 121.223 -0.018 0.000 3.291 428 L HA 0.328 4.664 4.340 -0.006 0.000 0.307 428 L C 0.887 177.732 176.870 -0.042 0.000 1.303 428 L CA -0.315 54.509 54.840 -0.026 0.000 0.949 428 L CB 0.538 42.583 42.059 -0.023 0.000 1.375 428 L HN 0.089 8.319 8.230 -0.000 0.000 0.596 429 G N -0.010 108.760 108.800 -0.050 0.000 2.176 429 G HA2 -0.329 3.627 3.960 -0.006 0.000 0.253 429 G HA3 -0.329 3.627 3.960 -0.006 0.000 0.253 429 G C 0.221 175.060 174.900 -0.102 0.000 0.979 429 G CA 0.184 45.246 45.100 -0.064 0.000 0.641 429 G HN 0.411 8.701 8.290 -0.000 0.000 0.530 430 Q N 0.967 120.684 119.800 -0.138 0.000 2.352 430 Q HA 0.615 4.951 4.340 -0.006 0.000 0.260 430 Q C 0.203 175.987 176.000 -0.360 0.000 0.976 430 Q CA 0.439 56.085 55.803 -0.262 0.000 0.881 430 Q CB 0.381 28.928 28.738 -0.318 0.000 1.235 430 Q HN 0.573 8.843 8.270 -0.000 0.000 0.419 431 Q N 2.659 122.212 119.800 -0.412 0.000 2.356 431 Q HA 0.412 4.748 4.340 -0.006 0.000 0.270 431 Q C -1.369 174.383 176.000 -0.414 0.000 1.058 431 Q CA -0.743 54.866 55.803 -0.323 0.000 0.802 431 Q CB 1.732 30.386 28.738 -0.139 0.000 1.303 431 Q HN 0.584 8.854 8.270 -0.000 0.000 0.444 432 Y N 0.842 121.156 120.300 0.023 0.000 2.420 432 Y HA 0.441 4.987 4.550 -0.006 0.000 0.334 432 Y C -0.173 175.749 175.900 0.037 0.000 1.094 432 Y CA -0.709 57.410 58.100 0.033 0.000 1.126 432 Y CB 1.679 40.163 38.460 0.040 0.000 1.217 432 Y HN 0.606 8.886 8.280 -0.000 0.000 0.462 433 N N -0.633 118.205 118.700 0.229 0.000 2.321 433 N HA 0.546 5.283 4.740 -0.006 0.000 0.290 433 N C -1.232 174.373 175.510 0.159 0.000 1.212 433 N CA -0.977 52.164 53.050 0.152 0.000 0.767 433 N CB 1.600 40.148 38.487 0.102 0.000 1.494 433 N HN 0.570 8.950 8.380 -0.000 0.000 0.479 434 S N -0.053 115.719 115.700 0.120 0.000 2.632 434 S HA 0.350 4.816 4.470 -0.006 0.000 0.267 434 S C -1.877 172.798 174.600 0.126 0.000 1.276 434 S CA -0.900 57.372 58.200 0.120 0.000 0.998 434 S CB 1.500 64.747 63.200 0.078 0.000 0.953 434 S HN 0.311 8.621 8.310 -0.000 0.000 0.547 435 P HA -0.167 4.253 4.420 -0.000 0.000 0.216 435 P C 1.683 179.047 177.300 0.108 0.000 1.153 435 P CA 1.314 64.502 63.100 0.147 0.000 0.858 435 P CB -0.002 31.801 31.700 0.173 0.000 0.789 436 Q N -0.176 119.672 119.800 0.081 0.000 2.084 436 Q HA -0.257 4.080 4.340 -0.006 0.000 0.202 436 Q C 2.195 178.226 176.000 0.052 0.000 0.978 436 Q CA 1.674 57.512 55.803 0.058 0.000 0.844 436 Q CB -0.287 28.475 28.738 0.039 0.000 0.898 436 Q HN 0.069 8.339 8.270 -0.000 0.000 0.426 437 E N -0.061 120.172 120.200 0.056 0.000 2.031 437 E HA -0.168 4.179 4.350 -0.006 0.000 0.193 437 E C 1.902 178.532 176.600 0.051 0.000 0.994 437 E CA 1.963 58.391 56.400 0.047 0.000 0.800 437 E CB -0.277 29.454 29.700 0.051 0.000 0.752 437 E HN 0.347 8.707 8.360 -0.000 0.000 0.447 438 V N -1.051 118.905 119.914 0.070 0.000 2.488 438 V HA -0.042 4.074 4.120 -0.006 0.000 0.246 438 V C 2.129 178.267 176.094 0.073 0.000 1.046 438 V CA 1.198 63.540 62.300 0.070 0.000 1.053 438 V CB -0.362 31.514 31.823 0.087 0.000 0.679 438 V HN 0.200 8.390 8.190 -0.000 0.000 0.458 439 I N 1.777 122.402 120.570 0.091 0.000 2.339 439 I HA 0.142 4.308 4.170 -0.006 0.000 0.245 439 I C 2.720 178.880 176.117 0.071 0.000 1.096 439 I CA 1.659 63.023 61.300 0.106 0.000 1.408 439 I CB -1.852 36.235 38.000 0.145 0.000 1.092 439 I HN 0.412 8.622 8.210 -0.000 0.000 0.423 440 G N 1.508 110.339 108.800 0.051 0.000 2.454 440 G HA2 -0.157 3.799 3.960 -0.006 0.000 0.214 440 G HA3 -0.157 3.799 3.960 -0.006 0.000 0.214 440 G C 1.681 176.585 174.900 0.007 0.000 1.217 440 G CA 0.375 45.487 45.100 0.019 0.000 0.799 440 G HN 0.189 8.479 8.290 -0.000 0.000 0.538 441 K N 0.415 120.822 120.400 0.012 0.000 2.137 441 K HA 0.125 4.442 4.320 -0.006 0.000 0.202 441 K C 2.361 178.958 176.600 -0.005 0.000 1.052 441 K CA 0.477 56.764 56.287 0.001 0.000 0.961 441 K CB -0.158 32.345 32.500 0.005 0.000 0.741 441 K HN 0.221 8.471 8.250 -0.000 0.000 0.452 442 R N -0.267 120.234 120.500 0.002 0.000 2.300 442 R HA 0.097 4.434 4.340 -0.006 0.000 0.199 442 R C 0.683 176.963 176.300 -0.034 0.000 0.920 442 R CA 0.559 56.650 56.100 -0.015 0.000 1.046 442 R CB 0.339 30.636 30.300 -0.004 0.000 0.984 442 R HN 0.353 8.623 8.270 -0.000 0.000 0.493 443 G N 1.110 109.903 108.800 -0.011 0.000 2.143 443 G HA2 -0.283 3.674 3.960 -0.006 0.000 0.248 443 G HA3 -0.283 3.674 3.960 -0.006 0.000 0.248 443 G C 0.076 174.973 174.900 -0.005 0.000 0.991 443 G CA 0.284 45.375 45.100 -0.015 0.000 0.689 443 G HN 0.304 8.594 8.290 -0.000 0.000 0.522 444 S N -0.200 115.521 115.700 0.034 0.000 2.608 444 S HA 0.420 4.886 4.470 -0.006 0.000 0.261 444 S C 1.025 175.747 174.600 0.203 0.000 1.314 444 S CA 0.036 58.301 58.200 0.109 0.000 0.992 444 S CB 0.975 64.246 63.200 0.118 0.000 0.935 444 S HN 0.279 8.589 8.310 -0.000 0.000 0.564 445 D N -0.008 120.553 120.400 0.269 0.000 2.338 445 D HA 0.266 4.903 4.640 -0.006 0.000 0.224 445 D C 0.190 176.604 176.300 0.190 0.000 0.967 445 D CA 0.873 55.055 54.000 0.303 0.000 0.896 445 D CB 0.322 41.299 40.800 0.295 0.000 1.028 445 D HN 0.313 8.683 8.370 -0.000 0.000 0.493 446 I N 1.548 122.195 120.570 0.129 0.000 2.582 446 I HA 0.268 4.434 4.170 -0.006 0.000 0.292 446 I C -0.460 175.718 176.117 0.102 0.000 1.066 446 I CA -1.066 60.280 61.300 0.076 0.000 1.053 446 I CB 2.871 40.877 38.000 0.011 0.000 1.241 446 I HN -0.170 8.040 8.210 -0.000 0.000 0.421 447 I N 3.893 124.524 120.570 0.102 0.000 2.385 447 I HA 0.565 4.732 4.170 -0.006 0.000 0.294 447 I C -0.766 175.384 176.117 0.056 0.000 0.988 447 I CA -0.412 60.945 61.300 0.094 0.000 1.265 447 I CB 1.276 39.347 38.000 0.118 0.000 1.388 447 I HN 0.381 8.591 8.210 -0.000 0.000 0.480 448 I N 6.494 127.094 120.570 0.051 0.000 2.321 448 I HA 0.420 4.587 4.170 -0.006 0.000 0.291 448 I C -0.684 175.414 176.117 -0.032 0.000 0.998 448 I CA -0.750 60.563 61.300 0.023 0.000 1.227 448 I CB 1.742 39.780 38.000 0.063 0.000 1.368 448 I HN 0.393 8.603 8.210 -0.000 0.000 0.466 449 V N 5.838 125.685 119.914 -0.112 0.000 2.525 449 V HA 0.527 4.644 4.120 -0.006 0.000 0.299 449 V C 0.521 176.502 176.094 -0.189 0.000 1.034 449 V CA -0.335 61.827 62.300 -0.230 0.000 0.863 449 V CB 1.370 32.869 31.823 -0.541 0.000 0.999 449 V HN 0.940 9.130 8.190 -0.000 0.000 0.423 450 G N 3.238 111.961 108.800 -0.129 0.000 2.529 450 G HA2 0.114 4.071 3.960 -0.006 0.000 0.220 450 G HA3 0.114 4.071 3.960 -0.006 0.000 0.220 450 G C 1.070 175.911 174.900 -0.098 0.000 1.976 450 G CA -0.138 44.911 45.100 -0.085 0.000 0.789 450 G HN 0.541 8.831 8.290 -0.000 0.000 0.695 451 R N 0.353 120.820 120.500 -0.054 0.000 2.127 451 R HA -0.053 4.283 4.340 -0.006 0.000 0.238 451 R C 2.653 178.898 176.300 -0.091 0.000 1.134 451 R CA 1.123 57.193 56.100 -0.050 0.000 0.975 451 R CB -0.547 29.751 30.300 -0.003 0.000 0.865 451 R HN 0.404 8.674 8.270 -0.000 0.000 0.447 452 G N 0.715 109.411 108.800 -0.174 0.000 2.475 452 G HA2 -0.247 3.709 3.960 -0.006 0.000 0.220 452 G HA3 -0.247 3.709 3.960 -0.006 0.000 0.220 452 G C 1.344 176.239 174.900 -0.008 0.000 1.125 452 G CA 0.900 45.925 45.100 -0.126 0.000 0.755 452 G HN 0.236 8.526 8.290 -0.000 0.000 0.565 453 I N -0.042 120.462 120.570 -0.111 0.000 2.685 453 I HA 0.097 4.264 4.170 -0.006 0.000 0.251 453 I C 2.296 178.397 176.117 -0.027 0.000 1.102 453 I CA -0.050 61.231 61.300 -0.031 0.000 1.442 453 I CB 0.028 37.976 38.000 -0.087 0.000 1.194 453 I HN -0.026 8.184 8.210 -0.000 0.000 0.448 454 I N 0.599 121.139 120.570 -0.050 0.000 2.394 454 I HA -0.186 3.981 4.170 -0.006 0.000 0.251 454 I C 2.273 178.378 176.117 -0.020 0.000 1.136 454 I CA 1.525 62.804 61.300 -0.035 0.000 1.425 454 I CB -1.068 36.909 38.000 -0.037 0.000 1.079 454 I HN 0.130 8.340 8.210 -0.000 0.000 0.425 455 S N 0.536 116.225 115.700 -0.017 0.000 2.527 455 S HA 0.239 4.705 4.470 -0.006 0.000 0.222 455 S C 1.148 175.747 174.600 -0.003 0.000 0.985 455 S CA 0.010 58.205 58.200 -0.009 0.000 0.921 455 S CB -0.099 63.096 63.200 -0.008 0.000 0.772 455 S HN 0.426 8.736 8.310 -0.000 0.000 0.529 456 A N 1.160 123.981 122.820 0.003 0.000 2.425 456 A HA 0.688 5.005 4.320 -0.006 0.000 0.242 456 A C 1.513 179.099 177.584 0.004 0.000 1.077 456 A CA 0.231 52.274 52.037 0.010 0.000 0.781 456 A CB -0.002 19.015 19.000 0.027 0.000 1.020 456 A HN 0.320 8.470 8.150 -0.000 0.000 0.494 457 A N 0.762 123.584 122.820 0.003 0.000 1.841 457 A HA -0.021 4.296 4.320 -0.006 0.000 0.214 457 A C 1.079 178.662 177.584 -0.001 0.000 1.195 457 A CA 1.806 53.843 52.037 -0.000 0.000 0.611 457 A CB -0.380 18.619 19.000 -0.001 0.000 0.835 457 A HN 0.787 8.937 8.150 -0.000 0.000 0.443 458 D N -0.975 119.425 120.400 0.000 0.000 2.456 458 D HA 0.377 5.013 4.640 -0.006 0.000 0.219 458 D C 0.871 177.173 176.300 0.003 0.000 1.126 458 D CA -0.288 53.712 54.000 -0.001 0.000 0.890 458 D CB 0.578 41.377 40.800 -0.002 0.000 1.025 458 D HN 0.103 8.473 8.370 -0.000 0.000 0.511 459 R N 2.083 122.582 120.500 -0.003 0.000 2.189 459 R HA -0.018 4.318 4.340 -0.006 0.000 0.218 459 R C 1.745 178.043 176.300 -0.004 0.000 1.074 459 R CA 0.388 56.486 56.100 -0.002 0.000 0.991 459 R CB -0.139 30.150 30.300 -0.017 0.000 0.883 459 R HN 0.371 8.641 8.270 -0.000 0.000 0.457 460 L N 0.788 122.004 121.223 -0.012 0.000 2.027 460 L HA -0.097 4.239 4.340 -0.006 0.000 0.206 460 L C 2.041 178.908 176.870 -0.004 0.000 1.074 460 L CA 1.938 56.767 54.840 -0.018 0.000 0.745 460 L CB -0.529 41.515 42.059 -0.024 0.000 0.898 460 L HN 0.063 8.293 8.230 -0.000 0.000 0.433 461 E N -0.114 120.085 120.200 -0.000 0.000 2.106 461 E HA -0.143 4.204 4.350 -0.006 0.000 0.192 461 E C 2.071 178.681 176.600 0.016 0.000 0.984 461 E CA 1.421 57.821 56.400 0.001 0.000 0.806 461 E CB -0.342 29.356 29.700 -0.005 0.000 0.750 461 E HN 0.538 8.898 8.360 -0.000 0.000 0.458 462 A N 0.903 123.746 122.820 0.039 0.000 1.883 462 A HA -0.087 4.229 4.320 -0.006 0.000 0.217 462 A C 2.477 180.173 177.584 0.187 0.000 1.186 462 A CA 2.213 54.311 52.037 0.101 0.000 0.624 462 A CB -1.141 17.934 19.000 0.125 0.000 0.822 462 A HN 0.399 8.549 8.150 -0.000 0.000 0.444 463 A N -0.617 122.274 122.820 0.119 0.000 1.902 463 A HA -0.166 4.151 4.320 -0.006 0.000 0.217 463 A C 1.971 179.614 177.584 0.099 0.000 1.181 463 A CA 1.722 53.826 52.037 0.111 0.000 0.623 463 A CB -0.439 18.571 19.000 0.016 0.000 0.818 463 A HN 0.481 8.631 8.150 -0.000 0.000 0.443 464 E N -0.571 119.657 120.200 0.046 0.000 2.110 464 E HA -0.156 4.191 4.350 -0.006 0.000 0.193 464 E C 2.112 178.727 176.600 0.023 0.000 0.988 464 E CA 1.055 57.470 56.400 0.024 0.000 0.804 464 E CB -0.359 29.342 29.700 0.001 0.000 0.745 464 E HN 0.537 8.897 8.360 -0.000 0.000 0.458 465 M N -0.332 119.263 119.600 -0.008 0.000 2.086 465 M HA -0.170 4.307 4.480 -0.006 0.000 0.261 465 M C 2.208 178.432 176.300 -0.127 0.000 1.067 465 M CA 1.389 56.629 55.300 -0.100 0.000 1.116 465 M CB -1.128 31.349 32.600 -0.205 0.000 1.348 465 M HN 0.137 8.427 8.290 -0.000 0.000 0.407 466 Y N -0.071 120.239 120.300 0.018 0.000 2.242 466 Y HA -0.148 4.398 4.550 -0.006 0.000 0.291 466 Y C 2.727 178.665 175.900 0.064 0.000 1.137 466 Y CA 1.609 59.729 58.100 0.032 0.000 1.181 466 Y CB -0.633 37.836 38.460 0.014 0.000 0.989 466 Y HN 0.226 8.506 8.280 -0.000 0.000 0.527 467 R N 0.912 121.527 120.500 0.193 0.000 2.080 467 R HA -0.201 4.135 4.340 -0.006 0.000 0.236 467 R C 2.000 178.416 176.300 0.192 0.000 1.137 467 R CA 2.038 58.233 56.100 0.158 0.000 0.943 467 R CB -0.157 30.187 30.300 0.074 0.000 0.846 467 R HN 0.255 8.525 8.270 -0.000 0.000 0.431 468 K N -0.104 120.376 120.400 0.134 0.000 2.097 468 K HA -0.092 4.225 4.320 -0.006 0.000 0.206 468 K C 2.126 178.834 176.600 0.179 0.000 1.049 468 K CA 1.316 57.699 56.287 0.159 0.000 0.933 468 K CB -0.148 32.403 32.500 0.085 0.000 0.717 468 K HN 0.251 8.501 8.250 -0.000 0.000 0.442 469 A N 1.687 124.577 122.820 0.117 0.000 1.858 469 A HA -0.139 4.177 4.320 -0.006 0.000 0.216 469 A C 2.418 180.102 177.584 0.167 0.000 1.190 469 A CA 1.962 54.061 52.037 0.102 0.000 0.617 469 A CB -0.816 18.206 19.000 0.036 0.000 0.827 469 A HN 0.330 8.480 8.150 -0.000 0.000 0.443 470 A N -1.786 121.167 122.820 0.222 0.000 1.930 470 A HA -0.149 4.168 4.320 -0.006 0.000 0.217 470 A C 2.118 179.897 177.584 0.325 0.000 1.175 470 A CA 1.265 53.453 52.037 0.252 0.000 0.627 470 A CB -0.788 18.366 19.000 0.256 0.000 0.815 470 A HN 0.846 8.996 8.150 -0.000 0.000 0.443 471 W N 0.759 122.167 121.300 0.181 0.000 2.407 471 W HA -0.143 4.513 4.660 -0.006 0.000 0.305 471 W C 1.902 178.571 176.519 0.251 0.000 1.196 471 W CA 1.995 59.490 57.345 0.250 0.000 1.311 471 W CB -0.044 29.531 29.460 0.192 0.000 1.135 471 W HN 0.491 8.671 8.180 -0.000 0.000 0.514 472 E N 0.951 121.286 120.200 0.225 0.000 2.150 472 E HA -0.123 4.224 4.350 -0.006 0.000 0.193 472 E C 2.113 178.708 176.600 -0.008 0.000 0.985 472 E CA 1.993 58.436 56.400 0.071 0.000 0.814 472 E CB -0.622 29.141 29.700 0.105 0.000 0.752 472 E HN 0.119 8.479 8.360 -0.000 0.000 0.466 473 A N -0.107 122.743 122.820 0.050 0.000 1.902 473 A HA -0.174 4.142 4.320 -0.006 0.000 0.217 473 A C 2.215 179.792 177.584 -0.011 0.000 1.181 473 A CA 1.577 53.632 52.037 0.029 0.000 0.623 473 A CB -1.056 17.990 19.000 0.077 0.000 0.818 473 A HN 0.553 8.703 8.150 -0.000 0.000 0.443 474 Y N 0.677 120.888 120.300 -0.147 0.000 2.114 474 Y HA -0.172 4.375 4.550 -0.006 0.000 0.284 474 Y C 1.884 177.561 175.900 -0.372 0.000 1.143 474 Y CA 1.832 59.768 58.100 -0.273 0.000 1.135 474 Y CB -0.554 37.684 38.460 -0.370 0.000 0.980 474 Y HN 0.192 8.472 8.280 -0.000 0.000 0.499 475 L N 0.264 121.034 121.223 -0.754 0.000 2.042 475 L HA -0.240 4.096 4.340 -0.006 0.000 0.210 475 L C 2.838 179.440 176.870 -0.447 0.000 1.076 475 L CA 1.817 56.202 54.840 -0.757 0.000 0.749 475 L CB -1.008 40.779 42.059 -0.454 0.000 0.893 475 L HN 0.463 8.693 8.230 -0.000 0.000 0.432 476 S N -0.102 115.434 115.700 -0.275 0.000 2.382 476 S HA -0.264 4.202 4.470 -0.006 0.000 0.228 476 S C 2.126 176.618 174.600 -0.180 0.000 1.027 476 S CA 1.132 59.227 58.200 -0.174 0.000 0.991 476 S CB -0.445 62.694 63.200 -0.102 0.000 0.823 476 S HN 0.394 8.704 8.310 -0.000 0.000 0.469 477 R N 0.593 120.973 120.500 -0.200 0.000 2.115 477 R HA 0.148 4.484 4.340 -0.006 0.000 0.230 477 R C 2.356 178.527 176.300 -0.214 0.000 1.111 477 R CA 1.065 57.067 56.100 -0.163 0.000 0.976 477 R CB -0.359 29.873 30.300 -0.114 0.000 0.870 477 R HN 0.477 8.747 8.270 -0.000 0.000 0.445 478 L N 0.232 121.241 121.223 -0.357 0.000 2.156 478 L HA 0.022 4.359 4.340 -0.006 0.000 0.208 478 L C 1.023 177.750 176.870 -0.238 0.000 1.095 478 L CA 0.899 55.526 54.840 -0.357 0.000 0.770 478 L CB -0.494 41.211 42.059 -0.590 0.000 0.914 478 L HN 0.600 8.830 8.230 -0.000 0.000 0.439 479 G N 0.000 108.670 108.800 -0.216 0.000 5.446 479 G HA2 0.000 3.956 3.960 -0.006 0.000 0.244 479 G HA3 0.000 3.956 3.960 -0.006 0.000 0.244 479 G CA 0.000 45.014 45.100 -0.143 0.000 0.502 479 G HN 0.000 8.290 8.290 -0.000 0.000 0.925