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 1usu_1_A DATA FIRST_RESID 272 DATA SEQUENCE PTKPLWTRNP SDITQEEYNA FYKSISNDWE DPLYVKHFSV EGQLEFRAIL DATA SEQUENCE FIPKRAPFDL FESXXXXNNI KLYVRRVFIT DEAEDLIPEW LSFVKGVVDS DATA SEQUENCE EDLPLNLXXX XXXQNKIMKV IRKNIVKKLI EAFNEIAEDS EQFEKFYSAF DATA SEQUENCE SKNIKLGVHE DTQNRAALAK LLRYNSTKSV DELTSLTDYV TRMPEHQKNI DATA SEQUENCE YYITGESLKS VEKSPFLDAL KAKNFEVLFL TDPIDEYAFT QLKEFEGKTL DATA SEQUENCE VDITKD 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 272 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 272 P C 0.000 177.285 177.300 -0.025 0.000 1.155 272 P CA 0.000 63.094 63.100 -0.010 0.000 0.800 272 P CB 0.000 31.696 31.700 -0.007 0.000 0.726 273 T N 2.282 116.821 114.554 -0.025 0.000 2.822 273 T HA 0.256 4.605 4.350 -0.001 0.000 0.288 273 T C 0.263 174.909 174.700 -0.090 0.000 0.991 273 T CA 0.822 62.894 62.100 -0.046 0.000 1.176 273 T CB 0.197 69.047 68.868 -0.030 0.000 0.951 273 T HN 0.589 8.829 8.240 -0.000 0.000 0.526 274 K N 6.008 126.340 120.400 -0.114 0.000 2.338 274 K HA 0.114 4.434 4.320 -0.001 0.000 0.290 274 K C -1.934 174.494 176.600 -0.287 0.000 1.069 274 K CA -1.839 54.341 56.287 -0.179 0.000 0.941 274 K CB 0.380 32.790 32.500 -0.150 0.000 1.023 274 K HN 0.342 8.592 8.250 -0.000 0.000 0.477 275 P HA -0.129 4.291 4.420 -0.000 0.000 0.262 275 P C 0.673 177.509 177.300 -0.773 0.000 1.182 275 P CA -0.124 62.469 63.100 -0.844 0.000 0.761 275 P CB 0.698 31.373 31.700 -1.707 0.000 0.795 276 L N 4.204 125.135 121.223 -0.487 0.000 2.089 276 L HA -0.143 4.196 4.340 -0.001 0.000 0.213 276 L C 2.136 178.805 176.870 -0.334 0.000 1.079 276 L CA 1.934 56.567 54.840 -0.346 0.000 0.758 276 L CB -1.313 40.554 42.059 -0.319 0.000 0.891 276 L HN 0.634 8.864 8.230 -0.000 0.000 0.433 277 W N -1.570 119.537 121.300 -0.323 0.000 2.699 277 W HA 0.043 4.701 4.660 -0.004 0.000 0.249 277 W C 2.006 178.521 176.519 -0.008 0.000 1.280 277 W CA 0.945 58.109 57.345 -0.300 0.000 1.345 277 W CB -1.743 27.508 29.460 -0.348 0.000 1.128 277 W HN 0.247 8.427 8.180 -0.000 0.000 0.642 278 T N -1.946 112.364 114.554 -0.407 0.000 3.065 278 T HA 0.263 4.613 4.350 -0.001 0.000 0.252 278 T C 0.970 175.600 174.700 -0.116 0.000 1.099 278 T CA -0.306 61.664 62.100 -0.218 0.000 1.063 278 T CB -0.153 68.510 68.868 -0.343 0.000 0.948 278 T HN 0.075 8.315 8.240 -0.000 0.000 0.506 279 R N 1.818 122.258 120.500 -0.100 0.000 2.637 279 R HA 0.334 4.673 4.340 -0.001 0.000 0.269 279 R C 0.143 176.423 176.300 -0.033 0.000 1.089 279 R CA -0.705 55.355 56.100 -0.067 0.000 1.177 279 R CB 0.225 30.472 30.300 -0.089 0.000 1.091 279 R HN 0.152 8.422 8.270 -0.000 0.000 0.540 280 N N 2.253 120.906 118.700 -0.078 0.000 2.442 280 N HA 0.032 4.771 4.740 -0.001 0.000 0.265 280 N C -1.762 173.664 175.510 -0.139 0.000 1.138 280 N CA -1.653 51.324 53.050 -0.123 0.000 0.956 280 N CB 1.091 39.524 38.487 -0.090 0.000 1.067 280 N HN 0.290 8.670 8.380 -0.000 0.000 0.474 281 P HA -0.137 4.283 4.420 -0.000 0.000 0.217 281 P C 1.046 178.340 177.300 -0.009 0.000 1.151 281 P CA 1.280 64.289 63.100 -0.152 0.000 0.849 281 P CB 0.236 31.762 31.700 -0.289 0.000 0.787 282 S N -0.277 115.393 115.700 -0.050 0.000 2.419 282 S HA -0.128 4.342 4.470 -0.001 0.000 0.235 282 S C 1.325 175.910 174.600 -0.025 0.000 1.019 282 S CA 1.497 59.681 58.200 -0.026 0.000 0.982 282 S CB -0.714 62.464 63.200 -0.037 0.000 0.789 282 S HN 0.262 8.572 8.310 -0.000 0.000 0.490 283 D N 0.484 120.857 120.400 -0.045 0.000 2.346 283 D HA 0.200 4.839 4.640 -0.001 0.000 0.206 283 D C 0.381 176.632 176.300 -0.081 0.000 1.001 283 D CA 0.134 54.102 54.000 -0.054 0.000 0.871 283 D CB 0.005 40.769 40.800 -0.061 0.000 0.943 283 D HN 0.357 8.727 8.370 -0.000 0.000 0.518 284 I N 1.741 122.242 120.570 -0.115 0.000 2.529 284 I HA 0.024 4.193 4.170 -0.001 0.000 0.284 284 I C 1.128 177.105 176.117 -0.234 0.000 1.082 284 I CA -0.196 60.943 61.300 -0.270 0.000 1.406 284 I CB 0.971 38.626 38.000 -0.574 0.000 1.405 284 I HN -0.131 8.079 8.210 -0.000 0.000 0.548 285 T N 1.501 115.927 114.554 -0.213 0.000 2.899 285 T HA 0.135 4.485 4.350 -0.001 0.000 0.284 285 T C 0.656 175.337 174.700 -0.032 0.000 1.004 285 T CA -0.662 61.389 62.100 -0.083 0.000 1.043 285 T CB 1.609 70.451 68.868 -0.044 0.000 1.013 285 T HN 0.608 8.848 8.240 -0.000 0.000 0.518 286 Q N 0.635 120.492 119.800 0.094 0.000 2.135 286 Q HA -0.151 4.189 4.340 -0.001 0.000 0.204 286 Q C 1.885 177.981 176.000 0.159 0.000 0.981 286 Q CA 2.030 57.947 55.803 0.190 0.000 0.856 286 Q CB -0.484 28.332 28.738 0.131 0.000 0.902 286 Q HN 0.886 9.156 8.270 -0.000 0.000 0.425 287 E N 0.104 120.355 120.200 0.084 0.000 2.106 287 E HA -0.160 4.190 4.350 -0.001 0.000 0.192 287 E C 1.867 178.515 176.600 0.081 0.000 0.984 287 E CA 1.434 57.881 56.400 0.079 0.000 0.806 287 E CB -0.038 29.691 29.700 0.048 0.000 0.750 287 E HN 0.514 8.874 8.360 -0.000 0.000 0.458 288 E N -0.395 119.815 120.200 0.017 0.000 2.077 288 E HA -0.176 4.173 4.350 -0.001 0.000 0.193 288 E C 1.836 178.511 176.600 0.125 0.000 0.989 288 E CA 0.970 57.371 56.400 0.002 0.000 0.800 288 E CB -0.203 29.413 29.700 -0.139 0.000 0.746 288 E HN 0.409 8.769 8.360 -0.000 0.000 0.452 289 Y N 1.275 121.679 120.300 0.172 0.000 2.128 289 Y HA -0.233 4.315 4.550 -0.002 0.000 0.284 289 Y C 2.336 178.421 175.900 0.309 0.000 1.154 289 Y CA 0.610 58.887 58.100 0.296 0.000 1.149 289 Y CB -0.067 38.540 38.460 0.245 0.000 0.976 289 Y HN 0.070 8.350 8.280 -0.000 0.000 0.505 290 N N 0.240 119.148 118.700 0.346 0.000 2.069 290 N HA -0.195 4.544 4.740 -0.001 0.000 0.191 290 N C 1.929 177.556 175.510 0.196 0.000 1.031 290 N CA 1.421 54.607 53.050 0.226 0.000 0.852 290 N CB -0.769 37.814 38.487 0.159 0.000 1.018 290 N HN 0.378 8.758 8.380 -0.000 0.000 0.423 291 A N 0.469 123.397 122.820 0.180 0.000 1.902 291 A HA -0.104 4.215 4.320 -0.001 0.000 0.217 291 A C 2.158 179.828 177.584 0.143 0.000 1.181 291 A CA 0.963 53.078 52.037 0.129 0.000 0.623 291 A CB -0.996 18.069 19.000 0.108 0.000 0.818 291 A HN 0.298 8.448 8.150 -0.000 0.000 0.443 292 F N -1.015 118.993 119.950 0.096 0.000 2.134 292 F HA -0.192 4.335 4.527 0.001 0.000 0.299 292 F C 2.148 177.918 175.800 -0.049 0.000 1.097 292 F CA 2.038 60.102 58.000 0.107 0.000 1.264 292 F CB -0.383 38.784 39.000 0.278 0.000 1.001 292 F HN 0.389 8.689 8.300 -0.000 0.000 0.479 293 Y N 1.632 121.811 120.300 -0.202 0.000 2.097 293 Y HA -0.237 4.313 4.550 -0.001 0.000 0.282 293 Y C 2.326 178.004 175.900 -0.369 0.000 1.152 293 Y CA 2.023 59.691 58.100 -0.719 0.000 1.136 293 Y CB -0.576 37.339 38.460 -0.908 0.000 0.975 293 Y HN -0.117 8.163 8.280 -0.000 0.000 0.498 294 K N 0.067 120.317 120.400 -0.251 0.000 2.063 294 K HA -0.155 4.164 4.320 -0.001 0.000 0.208 294 K C 2.226 178.651 176.600 -0.291 0.000 1.048 294 K CA 1.574 57.696 56.287 -0.275 0.000 0.928 294 K CB -0.759 31.701 32.500 -0.067 0.000 0.713 294 K HN 0.334 8.584 8.250 -0.000 0.000 0.442 295 S N 1.582 117.131 115.700 -0.252 0.000 2.383 295 S HA -0.128 4.341 4.470 -0.001 0.000 0.229 295 S C 1.989 176.400 174.600 -0.315 0.000 1.030 295 S CA 1.534 59.580 58.200 -0.258 0.000 1.002 295 S CB -0.322 62.714 63.200 -0.274 0.000 0.829 295 S HN 0.511 8.821 8.310 -0.000 0.000 0.467 296 I N -0.485 119.834 120.570 -0.418 0.000 3.883 296 I HA 0.293 4.462 4.170 -0.001 0.000 0.326 296 I C 1.364 177.297 176.117 -0.308 0.000 1.283 296 I CA 0.500 61.596 61.300 -0.340 0.000 1.161 296 I CB 0.213 38.023 38.000 -0.318 0.000 1.012 296 I HN 0.262 8.472 8.210 -0.000 0.000 0.421 297 S N -0.529 114.918 115.700 -0.423 0.000 2.679 297 S HA 0.160 4.629 4.470 -0.001 0.000 0.258 297 S C 0.751 175.179 174.600 -0.285 0.000 1.068 297 S CA 0.076 58.033 58.200 -0.405 0.000 1.115 297 S CB -0.062 62.692 63.200 -0.743 0.000 1.078 297 S HN 0.499 8.809 8.310 -0.000 0.000 0.603 298 N N 1.334 119.888 118.700 -0.243 0.000 2.900 298 N HA -0.158 4.581 4.740 -0.001 0.000 0.240 298 N C -0.467 175.005 175.510 -0.063 0.000 0.953 298 N CA 1.531 54.518 53.050 -0.105 0.000 0.950 298 N CB -1.940 36.527 38.487 -0.033 0.000 1.102 298 N HN 0.639 9.019 8.380 -0.000 0.000 0.593 299 D N 0.062 120.335 120.400 -0.212 0.000 2.378 299 D HA 0.099 4.738 4.640 -0.001 0.000 0.238 299 D C 1.207 177.460 176.300 -0.079 0.000 1.180 299 D CA 0.066 53.945 54.000 -0.201 0.000 0.895 299 D CB 0.238 40.916 40.800 -0.203 0.000 1.192 299 D HN 0.411 8.781 8.370 -0.000 0.000 0.438 300 W N 1.582 122.917 121.300 0.058 0.000 3.127 300 W HA 0.358 5.018 4.660 0.000 0.000 0.344 300 W C 0.079 176.651 176.519 0.088 0.000 1.151 300 W CA -0.513 56.863 57.345 0.052 0.000 1.765 300 W CB -0.157 29.324 29.460 0.036 0.000 1.085 300 W HN 0.072 8.252 8.180 -0.000 0.000 0.596 301 E N 1.642 121.547 120.200 -0.490 0.000 2.227 301 E HA 0.115 4.465 4.350 -0.001 0.000 0.268 301 E C -0.509 176.094 176.600 0.005 0.000 0.990 301 E CA -0.730 55.534 56.400 -0.226 0.000 0.856 301 E CB 1.251 30.738 29.700 -0.355 0.000 1.159 301 E HN -0.119 8.241 8.360 -0.000 0.000 0.401 302 D N 2.157 122.573 120.400 0.028 0.000 2.358 302 D HA 0.167 4.806 4.640 -0.001 0.000 0.244 302 D C -2.017 174.200 176.300 -0.139 0.000 1.163 302 D CA -1.233 52.784 54.000 0.029 0.000 0.945 302 D CB 0.335 41.160 40.800 0.042 0.000 1.152 302 D HN 0.144 8.514 8.370 -0.000 0.000 0.451 303 P HA 0.004 4.424 4.420 -0.000 0.000 0.272 303 P C 0.812 178.028 177.300 -0.140 0.000 1.230 303 P CA -0.464 62.289 63.100 -0.578 0.000 0.788 303 P CB 1.059 32.300 31.700 -0.766 0.000 0.949 304 L N 2.297 123.512 121.223 -0.014 0.000 2.093 304 L HA 0.056 4.395 4.340 -0.001 0.000 0.208 304 L C 0.520 177.512 176.870 0.203 0.000 1.085 304 L CA 1.755 56.671 54.840 0.126 0.000 0.755 304 L CB -0.636 41.558 42.059 0.225 0.000 0.904 304 L HN 0.472 8.702 8.230 -0.000 0.000 0.435 305 Y N -2.022 118.297 120.300 0.033 0.000 2.592 305 Y HA 0.461 5.009 4.550 -0.002 0.000 0.334 305 Y C -1.387 174.500 175.900 -0.021 0.000 1.136 305 Y CA -1.183 56.924 58.100 0.012 0.000 1.042 305 Y CB 1.338 39.811 38.460 0.022 0.000 1.325 305 Y HN -0.246 8.034 8.280 -0.000 0.000 0.457 306 V N 4.733 124.305 119.914 -0.570 0.000 2.604 306 V HA 0.784 4.904 4.120 -0.001 0.000 0.305 306 V C -1.796 173.975 176.094 -0.539 0.000 1.043 306 V CA -0.635 61.340 62.300 -0.541 0.000 0.888 306 V CB 1.673 33.023 31.823 -0.787 0.000 0.995 306 V HN 0.746 8.936 8.190 -0.000 0.000 0.429 307 K N 4.882 125.125 120.400 -0.262 0.000 2.527 307 K HA 0.462 4.781 4.320 -0.001 0.000 0.240 307 K C -1.107 175.496 176.600 0.006 0.000 0.989 307 K CA -0.251 56.031 56.287 -0.009 0.000 0.985 307 K CB 0.320 32.898 32.500 0.130 0.000 1.221 307 K HN 1.019 9.269 8.250 -0.000 0.000 0.458 308 H N 5.488 124.479 119.070 -0.131 0.000 2.551 308 H HA 0.513 5.069 4.556 -0.000 0.000 0.321 308 H C -1.149 174.228 175.328 0.082 0.000 1.028 308 H CA -0.962 55.023 56.048 -0.105 0.000 1.215 308 H CB 0.429 30.117 29.762 -0.123 0.000 1.414 308 H HN 0.529 8.809 8.280 -0.000 0.000 0.480 309 F N 1.664 121.663 119.950 0.083 0.000 2.692 309 F HA 0.593 5.118 4.527 -0.005 0.000 0.320 309 F C -1.348 174.386 175.800 -0.110 0.000 1.123 309 F CA -1.171 56.777 58.000 -0.086 0.000 0.961 309 F CB 1.753 40.689 39.000 -0.108 0.000 1.383 309 F HN 0.339 8.639 8.300 -0.000 0.000 0.483 310 S N 0.716 116.402 115.700 -0.024 0.000 2.536 310 S HA 0.803 5.273 4.470 -0.001 0.000 0.287 310 S C -1.819 172.686 174.600 -0.158 0.000 1.101 310 S CA -0.509 57.580 58.200 -0.186 0.000 0.950 310 S CB 1.718 64.843 63.200 -0.125 0.000 1.056 310 S HN 0.683 8.993 8.310 -0.000 0.000 0.481 311 V N 4.261 123.949 119.914 -0.377 0.000 2.487 311 V HA 0.573 4.693 4.120 -0.001 0.000 0.298 311 V C -0.357 175.631 176.094 -0.177 0.000 1.028 311 V CA -0.537 61.578 62.300 -0.309 0.000 0.860 311 V CB 1.607 33.086 31.823 -0.573 0.000 0.991 311 V HN 0.946 9.136 8.190 -0.000 0.000 0.427 312 E N 1.901 122.051 120.200 -0.083 0.000 2.339 312 E HA 0.860 5.209 4.350 -0.001 0.000 0.262 312 E C 0.396 176.991 176.600 -0.009 0.000 0.934 312 E CA 0.170 56.547 56.400 -0.038 0.000 0.802 312 E CB 2.309 31.987 29.700 -0.036 0.000 1.275 312 E HN 0.977 9.337 8.360 -0.000 0.000 0.427 313 G N 0.541 109.343 108.800 0.004 0.000 2.545 313 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.211 313 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.211 313 G C 0.115 175.030 174.900 0.025 0.000 1.167 313 G CA 0.054 45.161 45.100 0.012 0.000 1.151 313 G HN 0.538 8.828 8.290 -0.000 0.000 0.581 314 Q N -0.051 119.767 119.800 0.030 0.000 2.482 314 Q HA 0.363 4.702 4.340 -0.001 0.000 0.209 314 Q C 0.666 176.699 176.000 0.055 0.000 0.961 314 Q CA 0.990 56.815 55.803 0.036 0.000 0.945 314 Q CB 0.539 29.295 28.738 0.030 0.000 1.012 314 Q HN 0.851 9.121 8.270 -0.000 0.000 0.515 315 L N 0.453 121.721 121.223 0.075 0.000 2.476 315 L HA 0.429 4.768 4.340 -0.001 0.000 0.269 315 L C -1.731 175.224 176.870 0.141 0.000 0.965 315 L CA -0.385 54.533 54.840 0.129 0.000 0.845 315 L CB 2.446 44.611 42.059 0.176 0.000 1.259 315 L HN -0.050 8.180 8.230 -0.000 0.000 0.403 316 E N 5.298 125.595 120.200 0.162 0.000 2.185 316 E HA 0.623 4.972 4.350 -0.001 0.000 0.261 316 E C -1.722 175.023 176.600 0.242 0.000 0.879 316 E CA -0.444 56.032 56.400 0.127 0.000 0.756 316 E CB 1.843 31.588 29.700 0.076 0.000 1.152 316 E HN 0.501 8.861 8.360 -0.000 0.000 0.416 317 F N 0.335 120.294 119.950 0.015 0.000 2.741 317 F HA 0.620 5.147 4.527 -0.001 0.000 0.311 317 F C -1.620 174.147 175.800 -0.056 0.000 1.149 317 F CA -1.095 56.897 58.000 -0.013 0.000 0.930 317 F CB 1.178 40.163 39.000 -0.025 0.000 1.312 317 F HN 0.174 8.474 8.300 -0.000 0.000 0.450 318 R N 1.380 121.901 120.500 0.035 0.000 2.837 318 R HA 0.962 5.301 4.340 -0.001 0.000 0.271 318 R C -1.562 174.639 176.300 -0.166 0.000 0.993 318 R CA -1.294 54.701 56.100 -0.174 0.000 0.931 318 R CB 2.277 32.605 30.300 0.047 0.000 1.206 318 R HN 1.106 9.376 8.270 -0.000 0.000 0.474 319 A N 1.533 124.089 122.820 -0.439 0.000 2.594 319 A HA 0.655 4.974 4.320 -0.001 0.000 0.295 319 A C -1.631 175.733 177.584 -0.366 0.000 1.071 319 A CA -0.636 51.156 52.037 -0.409 0.000 0.685 319 A CB 1.620 20.360 19.000 -0.434 0.000 1.285 319 A HN 0.720 8.870 8.150 -0.000 0.000 0.405 320 I N 2.115 122.476 120.570 -0.349 0.000 2.468 320 I HA 0.606 4.775 4.170 -0.001 0.000 0.284 320 I C -1.790 174.061 176.117 -0.443 0.000 1.038 320 I CA -0.792 60.211 61.300 -0.495 0.000 1.083 320 I CB 0.729 38.337 38.000 -0.653 0.000 1.223 320 I HN 0.586 8.796 8.210 -0.000 0.000 0.443 321 L N 7.378 128.325 121.223 -0.460 0.000 2.365 321 L HA 0.593 4.932 4.340 -0.001 0.000 0.273 321 L C -1.292 175.336 176.870 -0.403 0.000 1.000 321 L CA -0.627 54.055 54.840 -0.263 0.000 0.819 321 L CB 1.934 43.953 42.059 -0.068 0.000 1.284 321 L HN 0.425 8.655 8.230 -0.000 0.000 0.418 322 F N 2.526 122.525 119.950 0.082 0.000 2.520 322 F HA 0.558 5.086 4.527 0.001 0.000 0.322 322 F C 0.002 175.863 175.800 0.101 0.000 1.103 322 F CA -0.525 57.512 58.000 0.061 0.000 0.926 322 F CB 1.803 40.874 39.000 0.118 0.000 1.154 322 F HN 0.178 8.478 8.300 -0.000 0.000 0.453 323 I N 5.067 125.823 120.570 0.310 0.000 2.321 323 I HA 0.339 4.509 4.170 -0.001 0.000 0.291 323 I C -2.349 173.937 176.117 0.282 0.000 0.998 323 I CA -2.088 59.427 61.300 0.359 0.000 1.227 323 I CB 1.457 39.718 38.000 0.435 0.000 1.368 323 I HN 0.287 8.497 8.210 -0.000 0.000 0.466 324 P HA 0.158 4.578 4.420 -0.000 0.000 0.274 324 P C -0.019 177.442 177.300 0.267 0.000 1.237 324 P CA -0.420 62.832 63.100 0.254 0.000 0.793 324 P CB 0.775 32.696 31.700 0.367 0.000 0.977 325 K N 0.610 121.076 120.400 0.110 0.000 2.288 325 K HA -0.006 4.313 4.320 -0.001 0.000 0.201 325 K C 0.486 177.086 176.600 0.001 0.000 1.048 325 K CA 1.028 57.359 56.287 0.073 0.000 0.956 325 K CB 0.062 32.568 32.500 0.010 0.000 0.746 325 K HN 0.409 8.659 8.250 -0.000 0.000 0.461 326 R N -0.640 119.849 120.500 -0.020 0.000 2.771 326 R HA 0.432 4.772 4.340 -0.001 0.000 0.274 326 R C -1.222 174.984 176.300 -0.157 0.000 0.987 326 R CA -0.745 55.268 56.100 -0.145 0.000 0.908 326 R CB 1.726 31.978 30.300 -0.080 0.000 1.213 326 R HN -0.037 8.233 8.270 -0.000 0.000 0.468 327 A N 2.996 125.583 122.820 -0.389 0.000 2.462 327 A HA 0.334 4.653 4.320 -0.001 0.000 0.243 327 A C -1.885 175.671 177.584 -0.047 0.000 1.076 327 A CA -0.898 50.965 52.037 -0.289 0.000 0.773 327 A CB -0.376 18.376 19.000 -0.414 0.000 1.010 327 A HN 0.487 8.637 8.150 -0.000 0.000 0.493 328 P HA 0.188 4.608 4.420 -0.000 0.000 0.278 328 P C 0.683 177.938 177.300 -0.074 0.000 1.238 328 P CA -0.419 62.675 63.100 -0.010 0.000 0.794 328 P CB 0.473 32.126 31.700 -0.078 0.000 0.955 329 F N 1.645 121.614 119.950 0.031 0.000 2.115 329 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 329 F C 0.790 176.605 175.800 0.025 0.000 1.092 329 F CA 1.760 59.779 58.000 0.030 0.000 1.245 329 F CB -1.693 37.333 39.000 0.044 0.000 0.995 329 F HN 0.192 8.492 8.300 -0.000 0.000 0.481 330 D N 0.520 120.301 120.400 -1.033 0.000 2.894 330 D HA 0.076 4.715 4.640 -0.001 0.000 0.248 330 D C 1.502 177.584 176.300 -0.363 0.000 1.291 330 D CA -0.293 53.345 54.000 -0.602 0.000 0.840 330 D CB -0.191 40.116 40.800 -0.821 0.000 1.044 330 D HN 0.317 8.687 8.370 -0.000 0.000 0.484 331 L N -0.085 120.950 121.223 -0.313 0.000 1.978 331 L HA -0.071 4.269 4.340 -0.001 0.000 0.218 331 L C 0.752 177.321 176.870 -0.502 0.000 1.075 331 L CA 1.863 56.432 54.840 -0.451 0.000 0.767 331 L CB -0.499 41.158 42.059 -0.670 0.000 0.890 331 L HN 0.167 8.397 8.230 -0.000 0.000 0.434 332 F N -0.945 119.005 119.950 -0.001 0.000 2.923 332 F HA 0.397 4.923 4.527 -0.001 0.000 0.314 332 F C 0.969 176.774 175.800 0.008 0.000 1.196 332 F CA -0.327 57.683 58.000 0.017 0.000 1.320 332 F CB -0.049 38.965 39.000 0.024 0.000 0.953 332 F HN 0.158 8.458 8.300 -0.000 0.000 0.505 333 E N -0.423 119.834 120.200 0.095 0.000 4.377 333 E HA 0.526 4.875 4.350 -0.001 0.000 0.123 333 E C 0.867 177.487 176.600 0.034 0.000 1.258 333 E CA -0.128 56.320 56.400 0.080 0.000 0.739 333 E CB -0.152 29.607 29.700 0.099 0.000 2.000 333 E HN 0.114 8.474 8.360 -0.000 0.000 0.520 340 N N 0.343 119.035 118.700 -0.013 0.000 2.354 340 N HA 0.065 4.804 4.740 -0.001 0.000 0.179 340 N C -0.185 175.338 175.510 0.022 0.000 1.021 340 N CA 0.749 53.798 53.050 -0.002 0.000 0.887 340 N CB 0.787 39.260 38.487 -0.024 0.000 0.974 340 N HN 0.406 8.786 8.380 -0.000 0.000 0.437 341 I N 1.703 122.279 120.570 0.009 0.000 2.406 341 I HA 0.229 4.399 4.170 -0.001 0.000 0.290 341 I C 0.023 176.174 176.117 0.057 0.000 0.999 341 I CA -0.597 60.717 61.300 0.023 0.000 1.124 341 I CB 1.704 39.687 38.000 -0.028 0.000 1.289 341 I HN -0.273 7.937 8.210 -0.000 0.000 0.441 342 K N 5.414 125.886 120.400 0.120 0.000 2.258 342 K HA 0.412 4.732 4.320 -0.001 0.000 0.284 342 K C -0.615 176.078 176.600 0.155 0.000 1.051 342 K CA -0.724 55.717 56.287 0.256 0.000 0.923 342 K CB 1.643 34.382 32.500 0.398 0.000 1.046 342 K HN 0.303 8.553 8.250 -0.000 0.000 0.474 343 L N 4.454 125.676 121.223 -0.001 0.000 2.272 343 L HA 0.348 4.688 4.340 -0.001 0.000 0.289 343 L C -1.467 175.330 176.870 -0.120 0.000 1.032 343 L CA -0.225 54.572 54.840 -0.072 0.000 0.810 343 L CB 0.245 42.208 42.059 -0.161 0.000 1.205 343 L HN 0.461 8.691 8.230 -0.000 0.000 0.422 344 Y N 3.395 123.617 120.300 -0.129 0.000 2.487 344 Y HA 0.703 5.252 4.550 -0.001 0.000 0.337 344 Y C -0.319 175.558 175.900 -0.038 0.000 1.076 344 Y CA -0.946 57.126 58.100 -0.047 0.000 1.115 344 Y CB 2.291 40.772 38.460 0.036 0.000 1.235 344 Y HN 0.268 8.548 8.280 -0.000 0.000 0.468 345 V N 3.433 123.432 119.914 0.142 0.000 2.443 345 V HA 0.356 4.476 4.120 -0.001 0.000 0.293 345 V C -0.304 175.877 176.094 0.146 0.000 1.021 345 V CA -1.195 61.162 62.300 0.096 0.000 0.848 345 V CB 1.283 33.117 31.823 0.019 0.000 0.998 345 V HN 0.795 8.985 8.190 -0.000 0.000 0.424 346 R N 3.720 124.314 120.500 0.157 0.000 3.333 346 R HA -0.211 4.129 4.340 -0.001 0.000 0.256 346 R C 0.755 177.183 176.300 0.213 0.000 1.010 346 R CA 0.565 56.758 56.100 0.155 0.000 0.680 346 R CB -1.152 29.210 30.300 0.103 0.000 1.102 346 R HN 0.812 9.082 8.270 -0.000 0.000 0.440 347 R N -2.846 117.848 120.500 0.324 0.000 3.953 347 R HA -0.187 4.153 4.340 -0.001 0.000 0.340 347 R C -0.598 176.042 176.300 0.567 0.000 1.195 347 R CA 1.370 57.740 56.100 0.451 0.000 0.929 347 R CB -1.157 29.304 30.300 0.268 0.000 1.402 347 R HN 0.179 8.450 8.270 -0.000 0.000 0.540 348 V N 1.529 121.710 119.914 0.445 0.000 2.384 348 V HA 0.311 4.431 4.120 -0.001 0.000 0.287 348 V C 0.168 176.295 176.094 0.055 0.000 1.020 348 V CA -0.762 61.702 62.300 0.274 0.000 0.850 348 V CB 1.154 33.052 31.823 0.125 0.000 0.987 348 V HN 0.165 8.355 8.190 -0.000 0.000 0.436 349 F N 6.037 125.725 119.950 -0.436 0.000 2.578 349 F HA 0.220 4.747 4.527 -0.001 0.000 0.376 349 F C 0.798 176.345 175.800 -0.422 0.000 1.085 349 F CA 0.200 57.592 58.000 -1.012 0.000 1.260 349 F CB 0.505 38.978 39.000 -0.877 0.000 1.095 349 F HN 0.336 8.636 8.300 -0.000 0.000 0.573 350 I N 2.596 122.486 120.570 -1.133 0.000 3.393 350 I HA 0.132 4.301 4.170 -0.001 0.000 0.250 350 I C 0.797 176.253 176.117 -1.102 0.000 1.122 350 I CA 0.754 61.568 61.300 -0.810 0.000 1.484 350 I CB -0.507 37.226 38.000 -0.445 0.000 1.468 350 I HN 0.599 8.809 8.210 -0.000 0.000 0.461 351 T N 0.862 114.714 114.554 -1.171 0.000 2.840 351 T HA 0.253 4.602 4.350 -0.001 0.000 0.317 351 T C -1.238 173.225 174.700 -0.394 0.000 1.401 351 T CA -0.510 61.141 62.100 -0.748 0.000 1.028 351 T CB 1.647 70.311 68.868 -0.340 0.000 1.317 351 T HN 0.325 8.565 8.240 -0.000 0.000 0.495 352 D N 1.310 121.713 120.400 0.004 0.000 2.501 352 D HA 0.140 4.780 4.640 -0.001 0.000 0.226 352 D C 0.178 176.492 176.300 0.023 0.000 1.198 352 D CA -0.237 53.833 54.000 0.116 0.000 0.830 352 D CB 0.112 41.063 40.800 0.252 0.000 1.014 352 D HN 0.831 9.201 8.370 -0.000 0.000 0.496 353 E N -0.040 120.142 120.200 -0.030 0.000 4.230 353 E HA 0.483 4.832 4.350 -0.001 0.000 0.216 353 E C -0.767 175.798 176.600 -0.058 0.000 1.132 353 E CA -0.832 55.548 56.400 -0.034 0.000 1.404 353 E CB 0.785 30.474 29.700 -0.019 0.000 1.183 353 E HN 0.158 8.518 8.360 -0.000 0.000 0.431 354 A N 2.339 125.113 122.820 -0.076 0.000 2.294 354 A HA 0.287 4.607 4.320 -0.001 0.000 0.316 354 A C 0.347 177.887 177.584 -0.074 0.000 1.359 354 A CA -0.660 51.327 52.037 -0.083 0.000 0.956 354 A CB 0.216 19.152 19.000 -0.107 0.000 1.155 354 A HN 0.488 8.638 8.150 -0.000 0.000 0.544 355 E N 1.915 122.079 120.200 -0.060 0.000 2.351 355 E HA 0.385 4.734 4.350 -0.001 0.000 0.255 355 E C -0.754 175.810 176.600 -0.061 0.000 1.188 355 E CA -0.253 56.113 56.400 -0.057 0.000 0.940 355 E CB 0.449 30.126 29.700 -0.038 0.000 1.094 355 E HN 0.488 8.848 8.360 -0.000 0.000 0.474 356 D N -1.281 119.083 120.400 -0.060 0.000 2.553 356 D HA -0.180 4.459 4.640 -0.001 0.000 0.178 356 D C 0.741 176.990 176.300 -0.084 0.000 0.951 356 D CA 1.077 55.042 54.000 -0.058 0.000 1.015 356 D CB -1.113 39.656 40.800 -0.051 0.000 1.069 356 D HN 0.402 8.772 8.370 -0.000 0.000 0.463 357 L N 0.530 121.692 121.223 -0.101 0.000 2.179 357 L HA 0.409 4.748 4.340 -0.001 0.000 0.208 357 L C 0.655 177.442 176.870 -0.138 0.000 1.096 357 L CA 1.384 56.147 54.840 -0.127 0.000 0.779 357 L CB 0.302 42.284 42.059 -0.127 0.000 0.922 357 L HN 0.328 8.558 8.230 -0.000 0.000 0.443 358 I N -0.054 120.432 120.570 -0.141 0.000 2.787 358 I HA 0.361 4.531 4.170 -0.001 0.000 0.294 358 I C -2.484 173.513 176.117 -0.200 0.000 1.365 358 I CA -1.870 59.315 61.300 -0.191 0.000 1.029 358 I CB 2.089 39.950 38.000 -0.232 0.000 1.313 358 I HN -0.103 8.107 8.210 -0.000 0.000 0.431 359 P HA 0.107 4.527 4.420 -0.000 0.000 0.272 359 P C 0.020 177.169 177.300 -0.251 0.000 1.230 359 P CA 0.082 63.065 63.100 -0.195 0.000 0.788 359 P CB 0.887 32.512 31.700 -0.125 0.000 0.949 360 E N 1.906 122.073 120.200 -0.054 0.000 2.160 360 E HA -0.166 4.184 4.350 -0.001 0.000 0.195 360 E C 1.672 178.308 176.600 0.061 0.000 0.991 360 E CA 1.536 57.939 56.400 0.005 0.000 0.810 360 E CB -0.747 29.013 29.700 0.101 0.000 0.742 360 E HN 0.624 8.984 8.360 -0.000 0.000 0.466 361 W N -0.098 121.262 121.300 0.101 0.000 2.468 361 W HA -0.026 4.633 4.660 -0.001 0.000 0.262 361 W C 0.522 177.141 176.519 0.167 0.000 1.241 361 W CA 0.266 57.711 57.345 0.167 0.000 1.232 361 W CB -0.617 28.941 29.460 0.163 0.000 1.124 361 W HN 0.028 8.208 8.180 -0.000 0.000 0.597 362 L N 2.442 123.322 121.223 -0.571 0.000 2.741 362 L HA 0.026 4.365 4.340 -0.001 0.000 0.237 362 L C 2.574 179.054 176.870 -0.650 0.000 1.178 362 L CA 0.425 54.803 54.840 -0.770 0.000 0.973 362 L CB -0.243 41.220 42.059 -0.992 0.000 1.255 362 L HN -0.053 8.177 8.230 -0.000 0.000 0.498 363 S N 0.527 116.046 115.700 -0.300 0.000 2.440 363 S HA -0.231 4.238 4.470 -0.001 0.000 0.238 363 S C 1.784 176.276 174.600 -0.181 0.000 1.010 363 S CA 1.038 59.115 58.200 -0.205 0.000 0.972 363 S CB -0.606 62.540 63.200 -0.090 0.000 0.774 363 S HN 0.592 8.902 8.310 -0.000 0.000 0.501 364 F N 1.345 121.166 119.950 -0.214 0.000 2.604 364 F HA 0.441 4.968 4.527 0.000 0.000 0.298 364 F C 0.499 176.212 175.800 -0.145 0.000 1.131 364 F CA -0.641 57.233 58.000 -0.211 0.000 1.457 364 F CB -0.809 37.952 39.000 -0.398 0.000 1.095 364 F HN -0.055 8.245 8.300 -0.000 0.000 0.574 365 V N 3.074 122.642 119.914 -0.577 0.000 2.614 365 V HA 0.166 4.285 4.120 -0.001 0.000 0.291 365 V C 0.206 176.274 176.094 -0.043 0.000 1.049 365 V CA -0.559 61.568 62.300 -0.289 0.000 1.038 365 V CB 0.901 32.472 31.823 -0.421 0.000 0.980 365 V HN 0.127 8.317 8.190 -0.000 0.000 0.481 366 K N 2.564 123.055 120.400 0.152 0.000 2.281 366 K HA 0.897 5.217 4.320 -0.001 0.000 0.242 366 K C 0.254 177.065 176.600 0.353 0.000 0.971 366 K CA 0.040 56.463 56.287 0.227 0.000 0.834 366 K CB 2.096 34.783 32.500 0.311 0.000 1.181 366 K HN 0.971 9.221 8.250 -0.000 0.000 0.435 367 G N -0.759 108.229 108.800 0.313 0.000 2.334 367 G HA2 0.162 4.122 3.960 -0.001 0.000 0.249 367 G HA3 0.162 4.122 3.960 -0.001 0.000 0.249 367 G C -1.818 173.199 174.900 0.195 0.000 1.327 367 G CA -0.657 44.672 45.100 0.382 0.000 0.979 367 G HN 0.331 8.621 8.290 -0.000 0.000 0.471 368 V N -0.407 119.546 119.914 0.066 0.000 2.841 368 V HA 0.726 4.846 4.120 -0.001 0.000 0.310 368 V C -0.505 175.425 176.094 -0.273 0.000 1.090 368 V CA -0.696 61.522 62.300 -0.137 0.000 0.930 368 V CB 1.815 33.410 31.823 -0.379 0.000 1.014 368 V HN 0.967 9.157 8.190 -0.000 0.000 0.425 369 V N 2.692 122.466 119.914 -0.233 0.000 2.531 369 V HA 0.542 4.662 4.120 -0.001 0.000 0.301 369 V C -1.119 174.871 176.094 -0.173 0.000 1.034 369 V CA -0.395 61.793 62.300 -0.187 0.000 0.865 369 V CB 1.999 33.740 31.823 -0.136 0.000 0.995 369 V HN 0.924 9.114 8.190 -0.000 0.000 0.424 370 D N 2.974 123.292 120.400 -0.136 0.000 2.471 370 D HA 0.354 4.994 4.640 -0.001 0.000 0.245 370 D C -0.507 175.868 176.300 0.125 0.000 1.116 370 D CA 0.086 54.088 54.000 0.003 0.000 0.853 370 D CB 2.023 42.852 40.800 0.048 0.000 1.123 370 D HN 0.492 8.862 8.370 -0.000 0.000 0.540 371 S N 3.055 118.817 115.700 0.104 0.000 2.462 371 S HA 0.220 4.689 4.470 -0.001 0.000 0.294 371 S C 1.067 175.734 174.600 0.112 0.000 1.144 371 S CA -0.455 57.813 58.200 0.113 0.000 1.088 371 S CB 1.321 64.532 63.200 0.017 0.000 1.009 371 S HN 0.368 8.678 8.310 -0.000 0.000 0.484 372 E N 2.591 122.866 120.200 0.124 0.000 2.112 372 E HA -0.055 4.294 4.350 -0.001 0.000 0.190 372 E C 0.437 177.078 176.600 0.068 0.000 0.979 372 E CA 1.069 57.526 56.400 0.095 0.000 0.814 372 E CB 0.111 29.864 29.700 0.088 0.000 0.762 372 E HN 0.736 9.096 8.360 -0.000 0.000 0.460 373 D N 0.039 120.477 120.400 0.063 0.000 2.388 373 D HA -0.007 4.633 4.640 -0.001 0.000 0.208 373 D C 0.861 177.172 176.300 0.017 0.000 1.035 373 D CA -0.263 53.761 54.000 0.039 0.000 0.875 373 D CB 0.129 40.954 40.800 0.043 0.000 0.984 373 D HN 0.034 8.404 8.370 -0.000 0.000 0.508 374 L N 3.911 125.137 121.223 0.005 0.000 2.615 374 L HA 0.051 4.391 4.340 -0.001 0.000 0.284 374 L C -2.170 174.690 176.870 -0.017 0.000 1.237 374 L CA -0.587 54.241 54.840 -0.021 0.000 0.905 374 L CB -0.081 41.951 42.059 -0.045 0.000 1.149 374 L HN -0.144 8.086 8.230 -0.000 0.000 0.499 375 P HA 0.170 4.590 4.420 -0.000 0.000 0.286 375 P C -0.782 176.499 177.300 -0.030 0.000 1.269 375 P CA -0.453 62.636 63.100 -0.019 0.000 0.787 375 P CB 0.662 32.352 31.700 -0.016 0.000 0.920 376 L N 3.433 124.639 121.223 -0.029 0.000 2.439 376 L HA 0.154 4.493 4.340 -0.001 0.000 0.269 376 L C 0.480 177.326 176.870 -0.039 0.000 1.179 376 L CA -0.086 54.729 54.840 -0.040 0.000 0.828 376 L CB -0.770 41.268 42.059 -0.034 0.000 1.106 376 L HN 0.547 8.777 8.230 -0.000 0.000 0.467 377 N N 2.321 120.991 118.700 -0.050 0.000 3.585 377 N HA -0.097 4.643 4.740 -0.001 0.000 0.280 377 N C -1.382 174.105 175.510 -0.039 0.000 1.982 377 N CA 0.173 53.197 53.050 -0.044 0.000 2.260 377 N CB -0.539 37.929 38.487 -0.032 0.000 0.635 377 N HN 0.430 8.810 8.380 -0.000 0.000 0.546 386 N N 1.687 120.373 118.700 -0.024 0.000 2.411 386 N HA -0.075 4.664 4.740 -0.001 0.000 0.261 386 N C 0.782 176.276 175.510 -0.027 0.000 1.248 386 N CA 0.633 53.667 53.050 -0.026 0.000 0.885 386 N CB 1.278 39.743 38.487 -0.036 0.000 1.062 386 N HN 0.149 8.529 8.380 -0.000 0.000 0.471 387 K N 5.115 125.504 120.400 -0.019 0.000 2.057 387 K HA -0.032 4.287 4.320 -0.001 0.000 0.206 387 K C 1.758 178.345 176.600 -0.022 0.000 1.050 387 K CA 1.200 57.478 56.287 -0.015 0.000 0.935 387 K CB -0.129 32.367 32.500 -0.007 0.000 0.715 387 K HN 0.605 8.855 8.250 -0.000 0.000 0.439 388 I N 0.732 121.287 120.570 -0.026 0.000 2.226 388 I HA -0.230 3.940 4.170 -0.001 0.000 0.245 388 I C 2.286 178.358 176.117 -0.075 0.000 1.100 388 I CA 1.306 62.584 61.300 -0.036 0.000 1.374 388 I CB -0.910 37.071 38.000 -0.032 0.000 1.057 388 I HN 0.333 8.543 8.210 -0.000 0.000 0.413 389 M N 1.226 120.779 119.600 -0.080 0.000 2.117 389 M HA -0.228 4.251 4.480 -0.001 0.000 0.262 389 M C 2.250 178.489 176.300 -0.101 0.000 1.065 389 M CA 1.862 57.097 55.300 -0.108 0.000 1.114 389 M CB -0.573 31.975 32.600 -0.087 0.000 1.361 389 M HN 0.062 8.352 8.290 -0.000 0.000 0.408 390 K N -0.806 119.556 120.400 -0.063 0.000 2.026 390 K HA -0.135 4.184 4.320 -0.001 0.000 0.208 390 K C 1.636 178.211 176.600 -0.042 0.000 1.048 390 K CA 1.888 58.149 56.287 -0.043 0.000 0.929 390 K CB -0.247 32.241 32.500 -0.020 0.000 0.713 390 K HN 0.298 8.548 8.250 -0.000 0.000 0.439 391 V N 1.630 121.522 119.914 -0.037 0.000 2.295 391 V HA -0.267 3.853 4.120 -0.001 0.000 0.246 391 V C 2.317 178.388 176.094 -0.038 0.000 1.049 391 V CA 1.825 64.120 62.300 -0.009 0.000 1.024 391 V CB -0.341 31.493 31.823 0.018 0.000 0.648 391 V HN 0.332 8.522 8.190 -0.000 0.000 0.447 392 I N -0.282 120.186 120.570 -0.169 0.000 2.142 392 I HA -0.288 3.881 4.170 -0.001 0.000 0.240 392 I C 2.759 178.721 176.117 -0.258 0.000 1.078 392 I CA 2.043 63.078 61.300 -0.441 0.000 1.343 392 I CB -0.454 37.161 38.000 -0.642 0.000 1.046 392 I HN 0.245 8.455 8.210 -0.000 0.000 0.405 393 R N 1.587 121.983 120.500 -0.173 0.000 2.080 393 R HA -0.226 4.113 4.340 -0.001 0.000 0.236 393 R C 2.289 178.559 176.300 -0.051 0.000 1.137 393 R CA 1.869 57.901 56.100 -0.112 0.000 0.943 393 R CB -0.141 30.107 30.300 -0.088 0.000 0.846 393 R HN 0.250 8.520 8.270 -0.000 0.000 0.431 394 K N 0.091 120.479 120.400 -0.020 0.000 2.103 394 K HA -0.148 4.171 4.320 -0.001 0.000 0.207 394 K C 2.058 178.677 176.600 0.032 0.000 1.048 394 K CA 1.400 57.697 56.287 0.016 0.000 0.930 394 K CB -0.281 32.233 32.500 0.024 0.000 0.716 394 K HN 0.317 8.567 8.250 -0.000 0.000 0.444 395 N N 1.330 120.072 118.700 0.071 0.000 2.188 395 N HA -0.106 4.633 4.740 -0.001 0.000 0.184 395 N C 1.757 177.344 175.510 0.129 0.000 1.018 395 N CA 0.966 54.103 53.050 0.145 0.000 0.858 395 N CB 0.065 38.775 38.487 0.372 0.000 0.989 395 N HN 0.141 8.521 8.380 -0.000 0.000 0.426 396 I N 0.518 121.177 120.570 0.148 0.000 2.286 396 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 396 I C 2.183 178.273 176.117 -0.044 0.000 1.115 396 I CA 0.555 61.934 61.300 0.131 0.000 1.392 396 I CB -0.029 38.013 38.000 0.069 0.000 1.065 396 I HN -0.060 8.150 8.210 -0.000 0.000 0.418 397 V N 0.989 120.868 119.914 -0.058 0.000 2.358 397 V HA -0.263 3.857 4.120 -0.001 0.000 0.246 397 V C 2.381 178.425 176.094 -0.083 0.000 1.047 397 V CA 1.741 63.994 62.300 -0.077 0.000 1.035 397 V CB -0.672 31.163 31.823 0.021 0.000 0.658 397 V HN 0.401 8.591 8.190 -0.000 0.000 0.452 398 K N -0.034 120.327 120.400 -0.066 0.000 2.057 398 K HA -0.169 4.150 4.320 -0.001 0.000 0.207 398 K C 2.215 178.692 176.600 -0.205 0.000 1.049 398 K CA 1.079 57.307 56.287 -0.098 0.000 0.931 398 K CB -0.254 32.201 32.500 -0.075 0.000 0.714 398 K HN 0.321 8.571 8.250 -0.000 0.000 0.440 399 K N 1.126 121.352 120.400 -0.290 0.000 2.097 399 K HA -0.049 4.271 4.320 -0.001 0.000 0.205 399 K C 2.181 178.549 176.600 -0.387 0.000 1.050 399 K CA 0.948 56.973 56.287 -0.437 0.000 0.938 399 K CB -0.281 31.718 32.500 -0.835 0.000 0.718 399 K HN 0.182 8.432 8.250 -0.000 0.000 0.442 400 L N 0.583 121.568 121.223 -0.397 0.000 2.141 400 L HA -0.082 4.257 4.340 -0.001 0.000 0.209 400 L C 2.312 178.508 176.870 -1.123 0.000 1.094 400 L CA 0.715 55.158 54.840 -0.661 0.000 0.763 400 L CB -0.278 41.411 42.059 -0.618 0.000 0.908 400 L HN 0.071 8.301 8.230 -0.000 0.000 0.437 401 I N -0.557 119.619 120.570 -0.656 0.000 2.353 401 I HA -0.230 3.940 4.170 -0.001 0.000 0.248 401 I C 2.342 178.310 176.117 -0.248 0.000 1.119 401 I CA 1.059 62.135 61.300 -0.373 0.000 1.417 401 I CB -0.183 37.789 38.000 -0.046 0.000 1.078 401 I HN 0.274 8.484 8.210 -0.000 0.000 0.421 402 E N 1.126 121.174 120.200 -0.252 0.000 2.058 402 E HA -0.240 4.109 4.350 -0.001 0.000 0.194 402 E C 2.370 178.837 176.600 -0.222 0.000 0.997 402 E CA 1.407 57.695 56.400 -0.186 0.000 0.801 402 E CB -0.209 29.379 29.700 -0.186 0.000 0.746 402 E HN 0.511 8.870 8.360 -0.000 0.000 0.450 403 A N 1.288 123.911 122.820 -0.328 0.000 1.865 403 A HA -0.198 4.122 4.320 -0.001 0.000 0.217 403 A C 1.926 179.245 177.584 -0.442 0.000 1.191 403 A CA 1.466 53.236 52.037 -0.444 0.000 0.623 403 A CB -0.867 17.898 19.000 -0.393 0.000 0.826 403 A HN 0.177 8.327 8.150 -0.000 0.000 0.444 404 F N 0.546 120.288 119.950 -0.346 0.000 2.161 404 F HA -0.182 4.346 4.527 0.001 0.000 0.300 404 F C 2.114 177.789 175.800 -0.208 0.000 1.089 404 F CA 0.970 58.745 58.000 -0.374 0.000 1.282 404 F CB -1.555 37.385 39.000 -0.100 0.000 1.010 404 F HN 0.347 8.647 8.300 -0.000 0.000 0.485 405 N N -0.152 118.570 118.700 0.036 0.000 2.244 405 N HA -0.139 4.600 4.740 -0.001 0.000 0.183 405 N C 1.680 177.156 175.510 -0.056 0.000 1.016 405 N CA 0.870 53.925 53.050 0.007 0.000 0.866 405 N CB -0.040 38.443 38.487 -0.006 0.000 0.980 405 N HN 0.275 8.655 8.380 -0.000 0.000 0.430 406 E N 1.236 121.358 120.200 -0.130 0.000 2.072 406 E HA -0.111 4.238 4.350 -0.001 0.000 0.191 406 E C 2.066 178.603 176.600 -0.105 0.000 0.985 406 E CA 0.679 57.014 56.400 -0.109 0.000 0.801 406 E CB -0.279 29.346 29.700 -0.124 0.000 0.750 406 E HN 0.474 8.834 8.360 -0.000 0.000 0.452 407 I N 1.683 122.120 120.570 -0.223 0.000 2.264 407 I HA -0.251 3.918 4.170 -0.001 0.000 0.248 407 I C 2.500 178.668 176.117 0.084 0.000 1.111 407 I CA 1.147 62.387 61.300 -0.100 0.000 1.382 407 I CB -0.372 37.477 38.000 -0.252 0.000 1.060 407 I HN 0.003 8.213 8.210 -0.000 0.000 0.418 408 A N 0.138 122.995 122.820 0.062 0.000 2.070 408 A HA -0.160 4.159 4.320 -0.001 0.000 0.220 408 A C 2.021 179.517 177.584 -0.147 0.000 1.159 408 A CA 1.235 53.202 52.037 -0.116 0.000 0.656 408 A CB -0.362 18.483 19.000 -0.258 0.000 0.800 408 A HN 0.352 8.502 8.150 -0.000 0.000 0.453 409 E N 0.328 120.493 120.200 -0.057 0.000 2.516 409 E HA -0.059 4.291 4.350 -0.001 0.000 0.199 409 E C -0.259 176.342 176.600 0.000 0.000 1.069 409 E CA 0.406 56.783 56.400 -0.037 0.000 0.876 409 E CB -0.021 29.671 29.700 -0.013 0.000 0.843 409 E HN 0.621 8.981 8.360 -0.000 0.000 0.530 410 D N 0.241 120.665 120.400 0.039 0.000 2.469 410 D HA 0.054 4.694 4.640 -0.001 0.000 0.251 410 D C 0.982 177.355 176.300 0.122 0.000 1.173 410 D CA -0.056 53.990 54.000 0.077 0.000 0.882 410 D CB 1.181 42.042 40.800 0.101 0.000 1.129 410 D HN -0.120 8.250 8.370 -0.000 0.000 0.549 411 S N 2.837 118.593 115.700 0.093 0.000 2.382 411 S HA -0.225 4.245 4.470 -0.001 0.000 0.228 411 S C 1.567 176.265 174.600 0.164 0.000 1.027 411 S CA 1.079 59.359 58.200 0.133 0.000 0.991 411 S CB -0.036 63.210 63.200 0.077 0.000 0.823 411 S HN 0.651 8.961 8.310 -0.000 0.000 0.469 412 E N 1.074 121.349 120.200 0.125 0.000 2.051 412 E HA -0.217 4.133 4.350 -0.001 0.000 0.192 412 E C 2.419 179.105 176.600 0.143 0.000 0.991 412 E CA 1.261 57.731 56.400 0.116 0.000 0.799 412 E CB -0.263 29.492 29.700 0.093 0.000 0.748 412 E HN 0.701 9.060 8.360 -0.000 0.000 0.449 413 Q N -0.502 119.397 119.800 0.165 0.000 2.050 413 Q HA -0.166 4.173 4.340 -0.001 0.000 0.202 413 Q C 2.059 178.211 176.000 0.253 0.000 0.980 413 Q CA 1.583 57.500 55.803 0.189 0.000 0.840 413 Q CB -0.209 28.640 28.738 0.186 0.000 0.898 413 Q HN 0.352 8.622 8.270 -0.000 0.000 0.424 414 F N 1.650 121.680 119.950 0.133 0.000 2.161 414 F HA -0.240 4.286 4.527 -0.001 0.000 0.300 414 F C 2.348 178.276 175.800 0.213 0.000 1.089 414 F CA 1.284 59.402 58.000 0.197 0.000 1.282 414 F CB 0.105 39.176 39.000 0.117 0.000 1.010 414 F HN 0.077 8.377 8.300 -0.000 0.000 0.485 415 E N 1.003 121.325 120.200 0.204 0.000 2.058 415 E HA -0.248 4.102 4.350 -0.001 0.000 0.194 415 E C 2.141 178.735 176.600 -0.010 0.000 0.997 415 E CA 1.550 57.999 56.400 0.082 0.000 0.801 415 E CB -0.186 29.578 29.700 0.107 0.000 0.746 415 E HN 0.465 8.825 8.360 -0.000 0.000 0.450 416 K N -0.543 119.875 120.400 0.029 0.000 2.057 416 K HA -0.138 4.182 4.320 -0.001 0.000 0.206 416 K C 2.195 178.751 176.600 -0.074 0.000 1.050 416 K CA 1.171 57.451 56.287 -0.012 0.000 0.935 416 K CB -0.376 32.156 32.500 0.053 0.000 0.715 416 K HN 0.079 8.329 8.250 -0.000 0.000 0.439 417 F N 0.842 120.705 119.950 -0.145 0.000 2.069 417 F HA -0.276 4.251 4.527 -0.000 0.000 0.298 417 F C 2.220 177.819 175.800 -0.334 0.000 1.113 417 F CA 1.443 59.345 58.000 -0.163 0.000 1.214 417 F CB -0.659 38.261 39.000 -0.133 0.000 0.978 417 F HN 0.014 8.314 8.300 -0.000 0.000 0.474 418 Y N 0.950 120.779 120.300 -0.785 0.000 2.145 418 Y HA -0.218 4.332 4.550 -0.001 0.000 0.286 418 Y C 3.044 178.601 175.900 -0.572 0.000 1.145 418 Y CA 2.113 59.715 58.100 -0.829 0.000 1.148 418 Y CB -0.909 37.036 38.460 -0.857 0.000 0.981 418 Y HN 0.240 8.520 8.280 -0.000 0.000 0.507 419 S N -0.371 115.125 115.700 -0.340 0.000 2.399 419 S HA -0.172 4.297 4.470 -0.001 0.000 0.231 419 S C 2.113 176.426 174.600 -0.478 0.000 1.022 419 S CA 0.992 59.006 58.200 -0.311 0.000 0.983 419 S CB -0.798 62.299 63.200 -0.172 0.000 0.803 419 S HN 0.431 8.741 8.310 -0.000 0.000 0.480 420 A N 0.514 122.926 122.820 -0.681 0.000 1.903 420 A HA 0.423 4.742 4.320 -0.001 0.000 0.213 420 A C 1.409 178.225 177.584 -1.279 0.000 1.185 420 A CA 0.564 51.980 52.037 -1.035 0.000 0.628 420 A CB -0.442 17.698 19.000 -1.434 0.000 0.830 420 A HN 0.617 8.767 8.150 -0.000 0.000 0.446 421 F N -0.085 119.375 119.950 -0.817 0.000 2.735 421 F HA 0.107 4.634 4.527 0.000 0.000 0.308 421 F C 2.068 177.386 175.800 -0.803 0.000 1.112 421 F CA 0.260 57.721 58.000 -0.899 0.000 1.235 421 F CB 0.452 38.620 39.000 -1.387 0.000 1.027 421 F HN 0.238 8.538 8.300 -0.000 0.000 0.528 422 S N 0.298 115.522 115.700 -0.795 0.000 2.382 422 S HA -0.275 4.194 4.470 -0.001 0.000 0.228 422 S C 2.063 176.409 174.600 -0.425 0.000 1.027 422 S CA 1.408 59.065 58.200 -0.904 0.000 0.991 422 S CB -0.327 61.955 63.200 -1.530 0.000 0.823 422 S HN 0.502 8.812 8.310 -0.000 0.000 0.469 423 K N 1.753 121.987 120.400 -0.277 0.000 2.057 423 K HA -0.140 4.179 4.320 -0.001 0.000 0.207 423 K C 1.761 178.360 176.600 -0.003 0.000 1.049 423 K CA 1.723 57.917 56.287 -0.154 0.000 0.931 423 K CB -0.389 31.991 32.500 -0.200 0.000 0.714 423 K HN 0.458 8.708 8.250 -0.000 0.000 0.440 424 N N 0.656 119.477 118.700 0.201 0.000 2.166 424 N HA -0.136 4.604 4.740 -0.001 0.000 0.186 424 N C 1.556 177.240 175.510 0.290 0.000 1.019 424 N CA 1.279 54.566 53.050 0.396 0.000 0.856 424 N CB -0.034 38.728 38.487 0.458 0.000 0.993 424 N HN 0.145 8.525 8.380 -0.000 0.000 0.426 425 I N 1.271 121.897 120.570 0.095 0.000 2.315 425 I HA -0.189 3.980 4.170 -0.001 0.000 0.248 425 I C 1.776 177.822 176.117 -0.119 0.000 1.117 425 I CA 1.330 62.653 61.300 0.038 0.000 1.404 425 I CB -0.814 37.203 38.000 0.029 0.000 1.071 425 I HN 0.165 8.375 8.210 -0.000 0.000 0.419 426 K N 0.405 120.728 120.400 -0.128 0.000 2.097 426 K HA -0.081 4.239 4.320 -0.001 0.000 0.205 426 K C 2.160 178.486 176.600 -0.456 0.000 1.050 426 K CA 0.997 57.169 56.287 -0.192 0.000 0.938 426 K CB -0.165 32.248 32.500 -0.145 0.000 0.718 426 K HN 0.249 8.499 8.250 -0.000 0.000 0.442 427 L N 0.001 120.973 121.223 -0.418 0.000 2.093 427 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 427 L C 2.497 179.080 176.870 -0.477 0.000 1.085 427 L CA 1.255 55.839 54.840 -0.427 0.000 0.755 427 L CB -0.752 41.275 42.059 -0.053 0.000 0.904 427 L HN 0.364 8.594 8.230 -0.000 0.000 0.435 428 G N -0.485 107.788 108.800 -0.878 0.000 2.422 428 G HA2 -0.181 3.779 3.960 -0.001 0.000 0.218 428 G HA3 -0.181 3.779 3.960 -0.001 0.000 0.218 428 G C 1.594 176.037 174.900 -0.763 0.000 1.146 428 G CA 0.735 44.747 45.100 -1.813 0.000 0.769 428 G HN 0.182 8.473 8.290 -0.000 0.000 0.547 429 V N 0.377 120.033 119.914 -0.430 0.000 2.427 429 V HA -0.190 3.930 4.120 -0.001 0.000 0.248 429 V C 2.381 178.444 176.094 -0.052 0.000 1.051 429 V CA 1.890 64.087 62.300 -0.172 0.000 1.048 429 V CB -0.763 31.032 31.823 -0.046 0.000 0.666 429 V HN 0.547 8.737 8.190 -0.000 0.000 0.456 430 H N 0.353 119.326 119.070 -0.162 0.000 2.352 430 H HA -0.184 4.371 4.556 -0.001 0.000 0.299 430 H C 2.290 177.576 175.328 -0.071 0.000 1.097 430 H CA 1.696 57.689 56.048 -0.092 0.000 1.311 430 H CB 0.318 30.150 29.762 0.118 0.000 1.377 430 H HN 0.674 8.954 8.280 -0.000 0.000 0.504 431 E N 0.217 120.444 120.200 0.045 0.000 2.434 431 E HA -0.014 4.335 4.350 -0.001 0.000 0.207 431 E C 0.144 176.759 176.600 0.024 0.000 0.929 431 E CA -0.058 56.373 56.400 0.053 0.000 1.001 431 E CB 0.531 30.296 29.700 0.108 0.000 1.016 431 E HN 0.070 8.430 8.360 -0.000 0.000 0.502 432 D N 2.373 122.749 120.400 -0.040 0.000 2.411 432 D HA 0.024 4.664 4.640 -0.001 0.000 0.225 432 D C 0.978 177.278 176.300 0.001 0.000 1.156 432 D CA 0.149 54.162 54.000 0.021 0.000 0.874 432 D CB 1.536 42.369 40.800 0.054 0.000 1.034 432 D HN 0.204 8.574 8.370 -0.000 0.000 0.502 433 T N 1.407 115.969 114.554 0.013 0.000 2.746 433 T HA -0.270 4.080 4.350 -0.001 0.000 0.267 433 T C 1.619 176.319 174.700 -0.000 0.000 1.039 433 T CA 1.165 63.263 62.100 -0.003 0.000 1.142 433 T CB -0.015 68.854 68.868 0.002 0.000 0.866 433 T HN 0.289 8.529 8.240 -0.000 0.000 0.444 434 Q N 1.995 121.806 119.800 0.019 0.000 2.046 434 Q HA 0.003 4.343 4.340 -0.001 0.000 0.200 434 Q C 1.853 177.865 176.000 0.020 0.000 0.975 434 Q CA 1.613 57.427 55.803 0.018 0.000 0.836 434 Q CB -0.398 28.358 28.738 0.031 0.000 0.896 434 Q HN 0.577 8.847 8.270 -0.000 0.000 0.428 435 N N 0.032 118.757 118.700 0.042 0.000 2.280 435 N HA 0.015 4.755 4.740 -0.001 0.000 0.192 435 N C 1.246 176.775 175.510 0.030 0.000 1.109 435 N CA 0.567 53.649 53.050 0.053 0.000 0.855 435 N CB 0.020 38.579 38.487 0.119 0.000 0.974 435 N HN 0.453 8.833 8.380 -0.000 0.000 0.482 436 R N 0.918 121.414 120.500 -0.007 0.000 2.120 436 R HA 0.049 4.389 4.340 -0.001 0.000 0.234 436 R C 1.962 178.266 176.300 0.007 0.000 1.123 436 R CA 1.405 57.488 56.100 -0.028 0.000 0.975 436 R CB -0.443 29.823 30.300 -0.056 0.000 0.866 436 R HN -0.018 8.252 8.270 -0.000 0.000 0.446 437 A N 1.668 124.488 122.820 0.001 0.000 1.902 437 A HA -0.034 4.286 4.320 -0.001 0.000 0.217 437 A C 2.555 180.172 177.584 0.054 0.000 1.181 437 A CA 1.687 53.726 52.037 0.004 0.000 0.623 437 A CB -0.803 18.160 19.000 -0.062 0.000 0.818 437 A HN 0.553 8.703 8.150 -0.000 0.000 0.443 438 A N -0.444 122.405 122.820 0.048 0.000 1.930 438 A HA 0.041 4.360 4.320 -0.001 0.000 0.217 438 A C 2.119 179.791 177.584 0.147 0.000 1.175 438 A CA 1.359 53.446 52.037 0.083 0.000 0.627 438 A CB -0.551 18.488 19.000 0.065 0.000 0.815 438 A HN 0.463 8.613 8.150 -0.000 0.000 0.443 439 L N -0.733 120.573 121.223 0.138 0.000 2.201 439 L HA -0.143 4.197 4.340 -0.001 0.000 0.212 439 L C 2.952 179.922 176.870 0.168 0.000 1.105 439 L CA 0.790 55.734 54.840 0.173 0.000 0.775 439 L CB -0.451 41.655 42.059 0.079 0.000 0.913 439 L HN 0.421 8.651 8.230 -0.000 0.000 0.440 440 A N 0.228 123.140 122.820 0.153 0.000 2.019 440 A HA -0.190 4.129 4.320 -0.001 0.000 0.219 440 A C 2.237 179.914 177.584 0.156 0.000 1.164 440 A CA 1.333 53.458 52.037 0.147 0.000 0.644 440 A CB -0.310 18.804 19.000 0.189 0.000 0.805 440 A HN 0.359 8.509 8.150 -0.000 0.000 0.449 441 K N -0.278 120.279 120.400 0.261 0.000 2.283 441 K HA 0.017 4.336 4.320 -0.001 0.000 0.202 441 K C 1.168 177.844 176.600 0.127 0.000 1.048 441 K CA 0.955 57.375 56.287 0.222 0.000 0.948 441 K CB -0.263 32.374 32.500 0.228 0.000 0.742 441 K HN 0.526 8.776 8.250 -0.000 0.000 0.458 442 L N 0.983 122.328 121.223 0.203 0.000 2.567 442 L HA 0.119 4.459 4.340 -0.001 0.000 0.225 442 L C 0.685 177.754 176.870 0.331 0.000 1.119 442 L CA -0.168 54.863 54.840 0.317 0.000 0.871 442 L CB -0.233 42.117 42.059 0.485 0.000 1.036 442 L HN 0.056 8.286 8.230 -0.000 0.000 0.459 443 L N 1.099 122.426 121.223 0.174 0.000 2.439 443 L HA 0.240 4.580 4.340 -0.001 0.000 0.269 443 L C 0.134 176.894 176.870 -0.184 0.000 1.179 443 L CA -0.031 54.858 54.840 0.082 0.000 0.828 443 L CB 0.271 42.410 42.059 0.132 0.000 1.106 443 L HN 0.125 8.355 8.230 -0.000 0.000 0.467 444 R N 2.736 122.950 120.500 -0.477 0.000 2.628 444 R HA 0.586 4.926 4.340 -0.001 0.000 0.288 444 R C -1.572 174.301 176.300 -0.713 0.000 0.980 444 R CA -0.876 54.911 56.100 -0.522 0.000 0.891 444 R CB 2.008 31.893 30.300 -0.692 0.000 1.188 444 R HN 0.441 8.711 8.270 -0.000 0.000 0.450 445 Y N -0.010 120.302 120.300 0.020 0.000 2.571 445 Y HA 0.306 4.856 4.550 -0.001 0.000 0.341 445 Y C 0.248 176.183 175.900 0.058 0.000 1.076 445 Y CA -0.905 57.227 58.100 0.052 0.000 1.029 445 Y CB 2.206 40.686 38.460 0.033 0.000 1.308 445 Y HN 0.494 8.774 8.280 -0.000 0.000 0.461 446 N N 0.502 119.371 118.700 0.283 0.000 2.424 446 N HA 0.594 5.334 4.740 -0.001 0.000 0.257 446 N C -0.772 174.820 175.510 0.137 0.000 1.250 446 N CA 0.038 53.236 53.050 0.248 0.000 0.946 446 N CB 0.897 39.599 38.487 0.359 0.000 1.175 446 N HN 0.640 9.020 8.380 -0.000 0.000 0.477 447 S N -2.376 113.304 115.700 -0.034 0.000 2.672 447 S HA 0.240 4.710 4.470 -0.001 0.000 0.271 447 S C 0.535 174.881 174.600 -0.424 0.000 1.171 447 S CA -0.506 57.409 58.200 -0.474 0.000 0.817 447 S CB 0.708 63.832 63.200 -0.127 0.000 1.150 447 S HN 0.583 8.893 8.310 -0.000 0.000 0.478 448 T N -1.416 112.850 114.554 -0.479 0.000 3.098 448 T HA 0.178 4.527 4.350 -0.001 0.000 0.266 448 T C 0.830 175.538 174.700 0.014 0.000 1.145 448 T CA 0.756 62.814 62.100 -0.070 0.000 1.092 448 T CB -0.534 68.335 68.868 0.002 0.000 0.908 448 T HN 0.637 8.877 8.240 -0.000 0.000 0.526 449 K N 0.234 120.621 120.400 -0.022 0.000 2.447 449 K HA 0.301 4.621 4.320 -0.001 0.000 0.205 449 K C 0.207 176.818 176.600 0.017 0.000 1.059 449 K CA -0.112 56.176 56.287 0.001 0.000 1.065 449 K CB 1.011 33.492 32.500 -0.032 0.000 0.885 449 K HN 0.178 8.428 8.250 -0.000 0.000 0.545 450 S N 0.942 116.663 115.700 0.035 0.000 2.356 450 S HA 0.197 4.667 4.470 -0.001 0.000 0.171 450 S C 0.312 174.969 174.600 0.096 0.000 1.399 450 S CA -0.521 57.710 58.200 0.053 0.000 1.225 450 S CB 0.586 63.815 63.200 0.048 0.000 1.271 450 S HN -0.045 8.265 8.310 -0.000 0.000 0.427 451 V N 2.279 122.255 119.914 0.104 0.000 2.949 451 V HA 0.127 4.247 4.120 -0.001 0.000 0.245 451 V C 1.466 177.622 176.094 0.104 0.000 1.086 451 V CA 0.993 63.376 62.300 0.137 0.000 1.097 451 V CB -0.025 31.877 31.823 0.131 0.000 0.762 451 V HN 0.663 8.853 8.190 -0.000 0.000 0.470 452 D N 0.489 120.934 120.400 0.075 0.000 2.367 452 D HA 0.094 4.734 4.640 -0.001 0.000 0.207 452 D C 0.623 176.955 176.300 0.054 0.000 1.034 452 D CA 0.284 54.320 54.000 0.059 0.000 0.861 452 D CB 0.648 41.476 40.800 0.046 0.000 0.943 452 D HN 0.691 9.061 8.370 -0.000 0.000 0.515 453 E N 0.197 120.429 120.200 0.054 0.000 2.369 453 E HA 0.551 4.900 4.350 -0.001 0.000 0.270 453 E C -0.783 175.844 176.600 0.046 0.000 0.909 453 E CA -0.852 55.573 56.400 0.042 0.000 0.775 453 E CB 1.830 31.548 29.700 0.029 0.000 1.270 453 E HN -0.163 8.197 8.360 -0.000 0.000 0.445 454 L N 1.111 122.350 121.223 0.026 0.000 2.375 454 L HA 0.469 4.809 4.340 -0.001 0.000 0.271 454 L C 0.398 177.263 176.870 -0.008 0.000 1.107 454 L CA -0.632 54.218 54.840 0.016 0.000 0.806 454 L CB 1.527 43.561 42.059 -0.041 0.000 1.146 454 L HN 0.659 8.889 8.230 -0.000 0.000 0.447 455 T N 0.364 114.926 114.554 0.014 0.000 2.950 455 T HA 0.481 4.831 4.350 -0.001 0.000 0.288 455 T C -0.086 174.598 174.700 -0.027 0.000 1.035 455 T CA -0.553 61.549 62.100 0.004 0.000 1.028 455 T CB 1.437 70.336 68.868 0.052 0.000 1.109 455 T HN 0.743 8.983 8.240 -0.000 0.000 0.514 456 S N 2.588 118.259 115.700 -0.049 0.000 2.672 456 S HA 0.439 4.908 4.470 -0.001 0.000 0.276 456 S C 1.535 176.092 174.600 -0.072 0.000 1.207 456 S CA -0.935 57.212 58.200 -0.090 0.000 1.002 456 S CB 0.692 63.825 63.200 -0.111 0.000 0.998 456 S HN 0.683 8.993 8.310 -0.000 0.000 0.542 457 L N 0.681 121.766 121.223 -0.230 0.000 2.093 457 L HA -0.093 4.246 4.340 -0.001 0.000 0.208 457 L C 2.796 179.560 176.870 -0.176 0.000 1.085 457 L CA 1.373 55.941 54.840 -0.453 0.000 0.755 457 L CB -1.065 40.192 42.059 -1.336 0.000 0.904 457 L HN 0.823 9.053 8.230 -0.000 0.000 0.435 458 T N -0.815 113.732 114.554 -0.013 0.000 2.708 458 T HA -0.188 4.161 4.350 -0.001 0.000 0.266 458 T C 1.400 176.175 174.700 0.124 0.000 1.037 458 T CA 1.594 63.816 62.100 0.203 0.000 1.146 458 T CB -0.205 68.760 68.868 0.163 0.000 0.865 458 T HN 0.311 8.551 8.240 -0.000 0.000 0.435 459 D N -0.165 120.274 120.400 0.065 0.000 2.178 459 D HA -0.040 4.599 4.640 -0.001 0.000 0.202 459 D C 1.579 177.927 176.300 0.079 0.000 0.974 459 D CA 0.653 54.682 54.000 0.049 0.000 0.841 459 D CB -0.358 40.450 40.800 0.014 0.000 0.953 459 D HN 0.529 8.899 8.370 -0.000 0.000 0.478 460 Y N 1.262 121.545 120.300 -0.027 0.000 2.145 460 Y HA -0.233 4.317 4.550 -0.001 0.000 0.286 460 Y C 2.168 178.059 175.900 -0.015 0.000 1.145 460 Y CA 1.177 59.262 58.100 -0.025 0.000 1.148 460 Y CB -0.137 38.297 38.460 -0.044 0.000 0.981 460 Y HN -0.218 8.062 8.280 -0.000 0.000 0.507 461 V N -0.029 120.086 119.914 0.335 0.000 2.392 461 V HA -0.336 3.784 4.120 -0.001 0.000 0.249 461 V C 2.221 178.358 176.094 0.071 0.000 1.059 461 V CA 2.434 64.872 62.300 0.229 0.000 1.051 461 V CB -1.055 30.906 31.823 0.231 0.000 0.658 461 V HN 0.524 8.714 8.190 -0.000 0.000 0.455 462 T N -0.498 114.087 114.554 0.051 0.000 2.833 462 T HA -0.162 4.187 4.350 -0.001 0.000 0.269 462 T C 1.857 176.541 174.700 -0.027 0.000 1.054 462 T CA 1.139 63.246 62.100 0.012 0.000 1.135 462 T CB -0.244 68.632 68.868 0.013 0.000 0.869 462 T HN 0.435 8.675 8.240 -0.000 0.000 0.466 463 R N 0.028 120.486 120.500 -0.070 0.000 2.313 463 R HA 0.252 4.592 4.340 -0.001 0.000 0.199 463 R C 0.238 176.452 176.300 -0.144 0.000 0.958 463 R CA 0.071 56.105 56.100 -0.110 0.000 1.047 463 R CB -0.149 30.058 30.300 -0.155 0.000 0.955 463 R HN 0.404 8.674 8.270 -0.000 0.000 0.481 464 M N 2.337 121.850 119.600 -0.146 0.000 2.185 464 M HA 0.182 4.661 4.480 -0.001 0.000 0.357 464 M C -1.943 174.300 176.300 -0.094 0.000 1.260 464 M CA -1.781 53.423 55.300 -0.160 0.000 1.124 464 M CB 0.952 33.470 32.600 -0.136 0.000 1.600 464 M HN -0.196 8.094 8.290 -0.000 0.000 0.467 465 P HA 0.033 4.453 4.420 -0.000 0.000 0.274 465 P C -0.191 177.079 177.300 -0.049 0.000 1.231 465 P CA -0.139 62.953 63.100 -0.014 0.000 0.790 465 P CB 0.389 32.121 31.700 0.053 0.000 0.951 466 E N 1.966 122.204 120.200 0.064 0.000 2.219 466 E HA -0.271 4.079 4.350 -0.001 0.000 0.198 466 E C 1.259 177.909 176.600 0.083 0.000 0.998 466 E CA 1.272 57.708 56.400 0.060 0.000 0.818 466 E CB -0.707 29.043 29.700 0.082 0.000 0.741 466 E HN 0.602 8.962 8.360 -0.000 0.000 0.477 467 H N 0.298 119.410 119.070 0.070 0.000 2.551 467 H HA 0.107 4.663 4.556 -0.001 0.000 0.266 467 H C 0.361 175.745 175.328 0.093 0.000 0.977 467 H CA 0.131 56.237 56.048 0.096 0.000 1.163 467 H CB -0.285 29.560 29.762 0.140 0.000 1.381 467 H HN 0.221 8.501 8.280 -0.000 0.000 0.581 468 Q N 1.596 121.178 119.800 -0.364 0.000 2.288 468 Q HA 0.103 4.443 4.340 -0.001 0.000 0.258 468 Q C 0.306 176.155 176.000 -0.252 0.000 0.957 468 Q CA -0.577 54.923 55.803 -0.506 0.000 0.919 468 Q CB 0.834 29.077 28.738 -0.825 0.000 1.185 468 Q HN 0.166 8.436 8.270 -0.000 0.000 0.408 469 K N 2.365 122.665 120.400 -0.168 0.000 2.348 469 K HA 0.214 4.533 4.320 -0.001 0.000 0.194 469 K C -0.146 176.357 176.600 -0.163 0.000 1.052 469 K CA 0.208 56.430 56.287 -0.108 0.000 1.004 469 K CB 0.528 33.009 32.500 -0.031 0.000 0.873 469 K HN 0.518 8.768 8.250 -0.000 0.000 0.523 470 N N 0.975 119.501 118.700 -0.289 0.000 2.362 470 N HA 0.380 5.119 4.740 -0.001 0.000 0.299 470 N C -0.536 174.579 175.510 -0.658 0.000 1.170 470 N CA -0.592 52.187 53.050 -0.453 0.000 0.825 470 N CB 2.055 40.211 38.487 -0.552 0.000 1.299 470 N HN -0.123 8.257 8.380 -0.000 0.000 0.502 471 I N 1.840 122.107 120.570 -0.504 0.000 2.331 471 I HA 0.239 4.409 4.170 -0.001 0.000 0.292 471 I C -0.608 175.203 176.117 -0.510 0.000 0.998 471 I CA -0.508 60.510 61.300 -0.470 0.000 1.267 471 I CB 0.310 38.007 38.000 -0.506 0.000 1.386 471 I HN 0.288 8.498 8.210 -0.000 0.000 0.476 472 Y N 6.380 126.724 120.300 0.074 0.000 2.361 472 Y HA 0.498 5.048 4.550 -0.000 0.000 0.332 472 Y C -0.166 175.829 175.900 0.158 0.000 1.101 472 Y CA -0.607 57.559 58.100 0.110 0.000 1.137 472 Y CB 1.207 39.746 38.460 0.132 0.000 1.207 472 Y HN 0.472 8.752 8.280 -0.000 0.000 0.463 473 Y N 1.137 121.520 120.300 0.138 0.000 2.644 473 Y HA 0.834 5.383 4.550 -0.001 0.000 0.338 473 Y C -1.727 174.187 175.900 0.024 0.000 1.119 473 Y CA -1.904 56.207 58.100 0.019 0.000 1.060 473 Y CB 1.657 40.064 38.460 -0.089 0.000 1.294 473 Y HN 0.573 8.853 8.280 -0.000 0.000 0.472 474 I N 1.862 122.511 120.570 0.132 0.000 2.865 474 I HA 0.661 4.830 4.170 -0.001 0.000 0.302 474 I C -1.109 175.066 176.117 0.097 0.000 1.140 474 I CA -0.676 60.640 61.300 0.027 0.000 1.021 474 I CB 2.593 40.664 38.000 0.120 0.000 1.233 474 I HN 1.019 9.229 8.210 -0.000 0.000 0.427 475 T N 2.359 116.920 114.554 0.013 0.000 2.918 475 T HA 0.956 5.306 4.350 -0.001 0.000 0.286 475 T C -0.291 174.405 174.700 -0.006 0.000 1.026 475 T CA -0.473 61.635 62.100 0.014 0.000 1.031 475 T CB 1.812 70.684 68.868 0.007 0.000 1.046 475 T HN 1.047 9.287 8.240 -0.000 0.000 0.479 476 G N 0.014 108.811 108.800 -0.006 0.000 2.506 476 G HA2 0.375 4.335 3.960 -0.001 0.000 0.292 476 G HA3 0.375 4.335 3.960 -0.001 0.000 0.292 476 G C -0.021 174.870 174.900 -0.015 0.000 1.425 476 G CA -0.388 44.703 45.100 -0.014 0.000 0.788 476 G HN 0.730 9.020 8.290 -0.000 0.000 0.490 477 E N -0.841 119.349 120.200 -0.017 0.000 2.274 477 E HA 0.081 4.430 4.350 -0.001 0.000 0.194 477 E C 0.818 177.407 176.600 -0.018 0.000 0.996 477 E CA 1.404 57.795 56.400 -0.016 0.000 0.840 477 E CB 0.046 29.737 29.700 -0.014 0.000 0.772 477 E HN 0.736 9.096 8.360 -0.000 0.000 0.491 478 S N -1.397 114.285 115.700 -0.029 0.000 2.611 478 S HA 0.084 4.553 4.470 -0.001 0.000 0.270 478 S C 0.385 174.944 174.600 -0.068 0.000 1.131 478 S CA -0.812 57.367 58.200 -0.034 0.000 0.826 478 S CB 0.746 63.927 63.200 -0.032 0.000 1.095 478 S HN 0.040 8.350 8.310 -0.000 0.000 0.461 479 L N 1.753 122.934 121.223 -0.070 0.000 1.970 479 L HA -0.013 4.326 4.340 -0.001 0.000 0.212 479 L C 2.170 178.922 176.870 -0.197 0.000 1.071 479 L CA 2.289 57.046 54.840 -0.138 0.000 0.751 479 L CB -1.495 40.525 42.059 -0.065 0.000 0.889 479 L HN 0.987 9.217 8.230 -0.000 0.000 0.432 480 K N 0.114 120.443 120.400 -0.117 0.000 2.074 480 K HA -0.184 4.136 4.320 -0.001 0.000 0.209 480 K C 2.153 178.685 176.600 -0.114 0.000 1.048 480 K CA 2.065 58.289 56.287 -0.105 0.000 0.926 480 K CB -0.197 32.269 32.500 -0.058 0.000 0.713 480 K HN 0.605 8.855 8.250 -0.000 0.000 0.444 481 S N 0.680 116.321 115.700 -0.098 0.000 2.371 481 S HA -0.105 4.365 4.470 -0.001 0.000 0.224 481 S C 2.260 176.799 174.600 -0.102 0.000 1.029 481 S CA 1.036 59.190 58.200 -0.076 0.000 0.978 481 S CB -0.838 62.337 63.200 -0.043 0.000 0.833 481 S HN 0.194 8.504 8.310 -0.000 0.000 0.466 482 V N 0.331 120.147 119.914 -0.163 0.000 2.626 482 V HA -0.025 4.094 4.120 -0.001 0.000 0.252 482 V C 2.292 178.186 176.094 -0.334 0.000 1.067 482 V CA 1.789 63.981 62.300 -0.180 0.000 1.081 482 V CB -1.234 30.493 31.823 -0.159 0.000 0.686 482 V HN 0.418 8.608 8.190 -0.000 0.000 0.468 483 E N 1.463 121.341 120.200 -0.536 0.000 2.209 483 E HA -0.202 4.147 4.350 -0.001 0.000 0.196 483 E C 1.861 178.375 176.600 -0.143 0.000 0.993 483 E CA 1.636 57.717 56.400 -0.532 0.000 0.819 483 E CB -0.005 29.473 29.700 -0.371 0.000 0.745 483 E HN 0.870 9.230 8.360 -0.000 0.000 0.477 484 K N -0.015 120.332 120.400 -0.088 0.000 2.438 484 K HA 0.170 4.489 4.320 -0.001 0.000 0.205 484 K C 0.229 176.840 176.600 0.018 0.000 1.033 484 K CA -0.157 56.121 56.287 -0.015 0.000 1.089 484 K CB 0.902 33.389 32.500 -0.022 0.000 0.857 484 K HN -0.162 8.088 8.250 -0.000 0.000 0.522 485 S N 2.871 118.596 115.700 0.042 0.000 2.558 485 S HA 0.076 4.546 4.470 -0.001 0.000 0.288 485 S C -1.206 173.456 174.600 0.104 0.000 1.318 485 S CA -1.011 57.253 58.200 0.107 0.000 1.056 485 S CB 0.746 64.062 63.200 0.194 0.000 0.853 485 S HN 0.187 8.497 8.310 -0.000 0.000 0.505 486 P HA 0.000 4.420 4.420 -0.000 0.000 0.225 486 P C 1.019 178.287 177.300 -0.052 0.000 1.156 486 P CA 0.904 63.976 63.100 -0.048 0.000 0.787 486 P CB -0.113 31.498 31.700 -0.149 0.000 0.802 487 F N 0.021 119.977 119.950 0.009 0.000 2.333 487 F HA -0.085 4.441 4.527 -0.001 0.000 0.300 487 F C 2.355 178.161 175.800 0.010 0.000 1.083 487 F CA 0.903 58.905 58.000 0.003 0.000 1.395 487 F CB -0.955 38.047 39.000 0.004 0.000 1.056 487 F HN -0.203 8.097 8.300 -0.000 0.000 0.529 488 L N -0.689 120.657 121.223 0.204 0.000 2.217 488 L HA -0.172 4.168 4.340 -0.001 0.000 0.211 488 L C 1.964 178.883 176.870 0.081 0.000 1.107 488 L CA 0.669 55.603 54.840 0.156 0.000 0.783 488 L CB -0.663 41.512 42.059 0.194 0.000 0.919 488 L HN 0.054 8.284 8.230 -0.000 0.000 0.442 489 D N 0.980 121.409 120.400 0.048 0.000 2.126 489 D HA -0.247 4.392 4.640 -0.001 0.000 0.190 489 D C 2.214 178.506 176.300 -0.014 0.000 1.001 489 D CA 1.865 55.870 54.000 0.009 0.000 0.841 489 D CB -0.055 40.736 40.800 -0.016 0.000 0.949 489 D HN 0.342 8.712 8.370 -0.000 0.000 0.446 490 A N 0.781 123.589 122.820 -0.021 0.000 1.972 490 A HA -0.124 4.195 4.320 -0.001 0.000 0.219 490 A C 2.226 179.757 177.584 -0.088 0.000 1.169 490 A CA 0.833 52.839 52.037 -0.051 0.000 0.635 490 A CB -0.395 18.581 19.000 -0.040 0.000 0.810 490 A HN 0.145 8.295 8.150 -0.000 0.000 0.446 491 L N -0.335 120.851 121.223 -0.061 0.000 2.072 491 L HA -0.098 4.242 4.340 -0.001 0.000 0.205 491 L C 2.277 179.107 176.870 -0.066 0.000 1.079 491 L CA 1.855 56.645 54.840 -0.082 0.000 0.752 491 L CB -1.270 40.775 42.059 -0.022 0.000 0.906 491 L HN 0.451 8.681 8.230 -0.000 0.000 0.436 492 K N 0.031 120.421 120.400 -0.018 0.000 2.097 492 K HA -0.089 4.231 4.320 -0.001 0.000 0.206 492 K C 2.087 178.655 176.600 -0.053 0.000 1.049 492 K CA 1.271 57.553 56.287 -0.009 0.000 0.933 492 K CB -0.129 32.384 32.500 0.022 0.000 0.717 492 K HN 0.233 8.483 8.250 -0.000 0.000 0.442 493 A N 1.684 124.458 122.820 -0.076 0.000 2.067 493 A HA -0.137 4.182 4.320 -0.001 0.000 0.219 493 A C 1.591 179.087 177.584 -0.147 0.000 1.158 493 A CA 1.283 53.267 52.037 -0.089 0.000 0.661 493 A CB -0.127 18.826 19.000 -0.079 0.000 0.801 493 A HN 0.184 8.334 8.150 -0.000 0.000 0.452 494 K N -1.222 119.024 120.400 -0.256 0.000 2.404 494 K HA 0.055 4.375 4.320 -0.001 0.000 0.194 494 K C 0.359 176.722 176.600 -0.395 0.000 1.023 494 K CA 0.293 56.305 56.287 -0.459 0.000 1.094 494 K CB 0.133 32.060 32.500 -0.954 0.000 0.841 494 K HN 0.406 8.656 8.250 -0.000 0.000 0.523 495 N N 0.772 119.373 118.700 -0.165 0.000 2.747 495 N HA -0.204 4.536 4.740 -0.001 0.000 0.249 495 N C -1.250 174.360 175.510 0.166 0.000 1.107 495 N CA 0.517 53.562 53.050 -0.009 0.000 0.707 495 N CB -1.665 36.838 38.487 0.027 0.000 1.054 495 N HN 0.208 8.588 8.380 -0.000 0.000 0.555 496 F N 0.870 120.817 119.950 -0.006 0.000 2.405 496 F HA 0.197 4.724 4.527 -0.000 0.000 0.355 496 F C 1.237 177.050 175.800 0.021 0.000 1.121 496 F CA -1.097 56.910 58.000 0.013 0.000 1.112 496 F CB 0.842 39.864 39.000 0.036 0.000 1.126 496 F HN 0.081 8.381 8.300 -0.000 0.000 0.481 497 E N 2.733 123.010 120.200 0.129 0.000 2.415 497 E HA 0.201 4.550 4.350 -0.001 0.000 0.262 497 E C -1.279 175.488 176.600 0.279 0.000 1.038 497 E CA -0.246 56.178 56.400 0.041 0.000 0.921 497 E CB 1.066 30.586 29.700 -0.300 0.000 0.950 497 E HN 0.331 8.691 8.360 -0.000 0.000 0.438 498 V N 5.910 125.912 119.914 0.147 0.000 2.483 498 V HA 0.254 4.373 4.120 -0.001 0.000 0.297 498 V C -0.101 175.916 176.094 -0.129 0.000 1.027 498 V CA -0.737 61.643 62.300 0.134 0.000 0.855 498 V CB 1.348 33.218 31.823 0.078 0.000 0.995 498 V HN 0.625 8.815 8.190 -0.000 0.000 0.424 499 L N 4.707 125.937 121.223 0.012 0.000 2.397 499 L HA 0.456 4.796 4.340 -0.001 0.000 0.271 499 L C -0.492 176.300 176.870 -0.131 0.000 1.148 499 L CA 0.145 54.913 54.840 -0.121 0.000 0.825 499 L CB 0.462 42.482 42.059 -0.065 0.000 1.117 499 L HN 0.474 8.704 8.230 -0.000 0.000 0.456 500 F N 3.750 123.724 119.950 0.040 0.000 2.391 500 F HA 0.413 4.940 4.527 -0.001 0.000 0.359 500 F C -0.020 175.718 175.800 -0.102 0.000 1.122 500 F CA -0.730 57.273 58.000 0.005 0.000 1.120 500 F CB 0.836 39.871 39.000 0.058 0.000 1.142 500 F HN 0.154 8.454 8.300 -0.000 0.000 0.483 501 L N 3.806 125.032 121.223 0.004 0.000 2.298 501 L HA 0.351 4.691 4.340 -0.001 0.000 0.284 501 L C 0.415 177.266 176.870 -0.033 0.000 1.013 501 L CA -0.380 54.349 54.840 -0.185 0.000 0.824 501 L CB 1.900 43.679 42.059 -0.467 0.000 1.221 501 L HN 0.663 8.893 8.230 -0.000 0.000 0.418 502 T N -2.647 111.915 114.554 0.014 0.000 3.266 502 T HA 0.236 4.585 4.350 -0.001 0.000 0.278 502 T C -0.130 174.575 174.700 0.008 0.000 1.010 502 T CA -0.432 61.677 62.100 0.015 0.000 0.909 502 T CB 0.191 69.076 68.868 0.028 0.000 1.122 502 T HN 0.515 8.755 8.240 -0.000 0.000 0.536 503 D N 0.590 120.990 120.400 0.000 0.000 2.927 503 D HA 0.281 4.920 4.640 -0.001 0.000 0.219 503 D C -2.420 173.884 176.300 0.006 0.000 1.248 503 D CA -1.769 52.234 54.000 0.005 0.000 0.861 503 D CB 2.934 43.745 40.800 0.018 0.000 1.677 503 D HN -0.252 8.118 8.370 -0.000 0.000 0.511 504 P HA -0.020 4.400 4.420 -0.000 0.000 0.218 504 P C 1.680 179.026 177.300 0.077 0.000 1.148 504 P CA 0.795 63.907 63.100 0.021 0.000 0.822 504 P CB 0.397 32.096 31.700 -0.003 0.000 0.784 505 I N -0.356 120.276 120.570 0.103 0.000 2.286 505 I HA -0.231 3.938 4.170 -0.001 0.000 0.248 505 I C 1.859 178.154 176.117 0.297 0.000 1.115 505 I CA 1.511 62.956 61.300 0.243 0.000 1.392 505 I CB -0.492 37.580 38.000 0.119 0.000 1.065 505 I HN -0.035 8.175 8.210 -0.000 0.000 0.418 506 D N 0.156 120.638 120.400 0.137 0.000 2.149 506 D HA -0.179 4.461 4.640 -0.001 0.000 0.201 506 D C 2.004 178.262 176.300 -0.071 0.000 0.972 506 D CA 0.883 54.922 54.000 0.065 0.000 0.835 506 D CB -0.123 40.649 40.800 -0.046 0.000 0.966 506 D HN 0.399 8.769 8.370 -0.000 0.000 0.476 507 E N 0.090 120.250 120.200 -0.067 0.000 2.077 507 E HA -0.204 4.145 4.350 -0.001 0.000 0.193 507 E C 2.014 178.664 176.600 0.085 0.000 0.989 507 E CA 0.739 57.111 56.400 -0.047 0.000 0.800 507 E CB -0.061 29.652 29.700 0.022 0.000 0.746 507 E HN 0.261 8.621 8.360 -0.000 0.000 0.452 508 Y N 0.766 121.037 120.300 -0.048 0.000 2.242 508 Y HA -0.118 4.432 4.550 -0.001 0.000 0.291 508 Y C 2.067 177.908 175.900 -0.098 0.000 1.137 508 Y CA 1.284 59.297 58.100 -0.144 0.000 1.181 508 Y CB -0.616 37.619 38.460 -0.376 0.000 0.989 508 Y HN 0.083 8.363 8.280 -0.000 0.000 0.527 509 A N -0.169 122.700 122.820 0.081 0.000 1.883 509 A HA -0.206 4.114 4.320 -0.001 0.000 0.217 509 A C 2.065 179.694 177.584 0.074 0.000 1.186 509 A CA 1.885 54.012 52.037 0.150 0.000 0.624 509 A CB -1.420 17.791 19.000 0.351 0.000 0.822 509 A HN 0.448 8.598 8.150 -0.000 0.000 0.444 510 F N 1.111 120.940 119.950 -0.201 0.000 2.134 510 F HA -0.143 4.384 4.527 -0.000 0.000 0.299 510 F C 2.952 178.634 175.800 -0.197 0.000 1.097 510 F CA 1.737 59.568 58.000 -0.281 0.000 1.264 510 F CB -1.100 37.554 39.000 -0.577 0.000 1.001 510 F HN 0.409 8.709 8.300 -0.000 0.000 0.479 511 T N -3.055 111.510 114.554 0.018 0.000 2.985 511 T HA -0.115 4.235 4.350 -0.001 0.000 0.266 511 T C 1.755 176.371 174.700 -0.140 0.000 1.076 511 T CA 0.702 62.790 62.100 -0.020 0.000 1.135 511 T CB -0.215 68.674 68.868 0.034 0.000 0.890 511 T HN 0.158 8.398 8.240 -0.000 0.000 0.480 512 Q N 0.820 120.444 119.800 -0.294 0.000 2.123 512 Q HA 0.186 4.526 4.340 -0.001 0.000 0.199 512 Q C 2.435 178.327 176.000 -0.180 0.000 0.966 512 Q CA 0.823 56.439 55.803 -0.312 0.000 0.845 512 Q CB -0.404 28.048 28.738 -0.478 0.000 0.907 512 Q HN 0.529 8.799 8.270 -0.000 0.000 0.439 513 L N 0.317 121.438 121.223 -0.170 0.000 2.027 513 L HA -0.191 4.149 4.340 -0.001 0.000 0.206 513 L C 1.357 178.147 176.870 -0.132 0.000 1.074 513 L CA 1.146 55.894 54.840 -0.153 0.000 0.745 513 L CB -0.155 41.770 42.059 -0.223 0.000 0.898 513 L HN 0.242 8.472 8.230 -0.000 0.000 0.433 514 K N -0.773 119.548 120.400 -0.131 0.000 3.870 514 K HA -0.265 4.054 4.320 -0.001 0.000 0.370 514 K C 0.264 176.807 176.600 -0.096 0.000 0.607 514 K CA 2.048 58.283 56.287 -0.086 0.000 1.617 514 K CB -0.969 31.493 32.500 -0.064 0.000 1.221 514 K HN 0.658 8.908 8.250 -0.000 0.000 0.485 515 E N -0.573 119.561 120.200 -0.111 0.000 2.445 515 E HA 0.623 4.972 4.350 -0.001 0.000 0.279 515 E C -1.338 175.229 176.600 -0.055 0.000 1.018 515 E CA -1.069 55.274 56.400 -0.095 0.000 0.816 515 E CB 1.515 31.163 29.700 -0.085 0.000 1.356 515 E HN 0.038 8.399 8.360 -0.000 0.000 0.462 516 F N 0.924 120.751 119.950 -0.205 0.000 2.573 516 F HA 0.314 4.841 4.527 -0.000 0.000 0.316 516 F C -0.643 175.078 175.800 -0.132 0.000 1.148 516 F CA -0.454 57.433 58.000 -0.188 0.000 0.940 516 F CB 1.723 40.575 39.000 -0.246 0.000 1.214 516 F HN 0.816 9.116 8.300 -0.000 0.000 0.448 517 E N 4.290 124.009 120.200 -0.802 0.000 2.199 517 E HA -0.229 4.120 4.350 -0.001 0.000 0.208 517 E C 1.119 177.578 176.600 -0.234 0.000 1.310 517 E CA 1.022 57.110 56.400 -0.519 0.000 0.709 517 E CB -1.177 28.214 29.700 -0.516 0.000 1.127 517 E HN 1.284 9.644 8.360 -0.000 0.000 0.354 518 G N -0.314 108.374 108.800 -0.187 0.000 2.212 518 G HA2 -0.361 3.599 3.960 -0.001 0.000 0.266 518 G HA3 -0.361 3.599 3.960 -0.001 0.000 0.266 518 G C 0.104 174.952 174.900 -0.087 0.000 0.978 518 G CA 0.817 45.848 45.100 -0.115 0.000 0.632 518 G HN 0.176 8.466 8.290 -0.000 0.000 0.537 519 K N 1.574 121.927 120.400 -0.079 0.000 2.213 519 K HA 0.493 4.812 4.320 -0.001 0.000 0.270 519 K C 0.201 176.746 176.600 -0.091 0.000 1.002 519 K CA -0.364 55.878 56.287 -0.076 0.000 0.868 519 K CB 1.354 33.819 32.500 -0.057 0.000 1.093 519 K HN 0.117 8.367 8.250 -0.000 0.000 0.454 520 T N 3.226 117.721 114.554 -0.100 0.000 2.916 520 T HA 0.137 4.487 4.350 -0.001 0.000 0.303 520 T C 0.639 175.270 174.700 -0.114 0.000 1.025 520 T CA -0.190 61.855 62.100 -0.091 0.000 1.142 520 T CB 0.214 69.043 68.868 -0.065 0.000 0.947 520 T HN 0.242 8.482 8.240 -0.000 0.000 0.544 521 L N 3.828 125.010 121.223 -0.068 0.000 2.278 521 L HA 0.403 4.743 4.340 -0.001 0.000 0.287 521 L C -0.256 176.724 176.870 0.182 0.000 1.072 521 L CA -0.695 54.157 54.840 0.021 0.000 0.819 521 L CB 0.631 42.654 42.059 -0.059 0.000 1.176 521 L HN 0.318 8.548 8.230 -0.000 0.000 0.435 522 V N 2.426 122.401 119.914 0.101 0.000 2.384 522 V HA 0.186 4.305 4.120 -0.001 0.000 0.287 522 V C -0.142 175.802 176.094 -0.249 0.000 1.020 522 V CA -0.618 61.690 62.300 0.012 0.000 0.850 522 V CB 1.830 33.671 31.823 0.030 0.000 0.987 522 V HN 0.606 8.796 8.190 -0.000 0.000 0.436 523 D N 4.539 124.613 120.400 -0.543 0.000 2.316 523 D HA 0.169 4.808 4.640 -0.001 0.000 0.245 523 D C 1.136 177.206 176.300 -0.384 0.000 1.171 523 D CA -0.402 53.016 54.000 -0.971 0.000 0.856 523 D CB 1.294 41.687 40.800 -0.679 0.000 1.090 523 D HN 0.610 8.980 8.370 -0.000 0.000 0.476 524 I N 1.433 121.828 120.570 -0.292 0.000 3.444 524 I HA 0.003 4.172 4.170 -0.001 0.000 0.287 524 I C 1.014 176.962 176.117 -0.281 0.000 1.302 524 I CA 0.547 61.757 61.300 -0.150 0.000 1.368 524 I CB -0.302 37.664 38.000 -0.056 0.000 1.048 524 I HN 0.271 8.481 8.210 -0.000 0.000 0.487 525 T N -3.490 110.801 114.554 -0.440 0.000 3.174 525 T HA 0.288 4.637 4.350 -0.001 0.000 0.269 525 T C 1.268 175.751 174.700 -0.362 0.000 1.017 525 T CA -0.493 61.183 62.100 -0.707 0.000 0.899 525 T CB 0.073 68.421 68.868 -0.868 0.000 1.077 525 T HN 0.147 8.387 8.240 -0.000 0.000 0.552 526 K N 1.223 121.497 120.400 -0.209 0.000 2.228 526 K HA 0.089 4.409 4.320 -0.001 0.000 0.202 526 K C 0.262 176.835 176.600 -0.044 0.000 1.051 526 K CA 0.407 56.630 56.287 -0.107 0.000 0.960 526 K CB -0.404 32.049 32.500 -0.078 0.000 0.743 526 K HN 0.482 8.732 8.250 -0.000 0.000 0.458 527 D N 0.000 120.389 120.400 -0.019 0.000 6.856 527 D HA 0.000 4.639 4.640 -0.001 0.000 0.175 527 D CA 0.000 54.022 54.000 0.037 0.000 0.868 527 D CB 0.000 40.851 40.800 0.084 0.000 0.688 527 D HN 0.000 8.370 8.370 -0.000 0.000 0.683