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 1mv3_1_A DATA FIRST_RESID 270 DATA SEQUENCE DGSPAATPEI RVNHEPEPAG GATPGATLPK SPSQLRKGPP VPPPPKHTPS DATA SEQUENCE KEVKQEQILS LFEDTFVPEI SVTTPSQPAE ASEVAGGTQP AAGAQEPGET DATA SEQUENCE AASEAASSSL PAVVVETFPA TVNGTVEGGS GAGRLDLPPG FMFKVQAQHD DATA SEQUENCE YTATDTDELQ LKAGDVVLVI PFQNPEEQDE GWLMGVKESD WNQHKKLEKC DATA SEQUENCE RGVFPENFTE RVP 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 270 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 270 D C 0.000 176.300 176.300 -0.000 0.000 2.045 270 D CA 0.000 54.000 54.000 -0.000 0.000 0.868 270 D CB 0.000 40.800 40.800 -0.000 0.000 0.688 271 G N 0.909 109.709 108.800 -0.000 0.000 2.167 271 G HA2 0.463 4.423 3.960 -0.000 0.000 0.300 271 G HA3 0.463 4.423 3.960 -0.000 0.000 0.300 271 G C -1.790 173.110 174.900 -0.000 0.000 1.842 271 G CA -0.485 44.615 45.100 -0.000 0.000 1.035 271 G HN 0.059 8.349 8.290 -0.000 0.000 0.489 272 S N 2.415 118.115 115.700 -0.000 0.000 2.616 272 S HA 0.386 4.856 4.470 -0.000 0.000 0.276 272 S C -2.500 172.100 174.600 -0.000 0.000 1.159 272 S CA -0.949 57.251 58.200 -0.000 0.000 1.000 272 S CB 2.639 65.839 63.200 -0.000 0.000 1.117 272 S HN 0.227 8.537 8.310 -0.000 0.000 0.464 273 P HA 0.734 5.154 4.420 -0.000 0.000 0.279 273 P C -1.822 175.478 177.300 -0.000 0.000 1.282 273 P CA -0.525 62.575 63.100 -0.000 0.000 0.788 273 P CB 0.787 32.487 31.700 -0.000 0.000 1.139 274 A N -2.001 120.819 122.820 -0.000 0.000 2.588 274 A HA 0.768 5.087 4.320 -0.000 0.000 0.290 274 A C -2.036 175.548 177.584 -0.000 0.000 1.136 274 A CA -0.018 52.019 52.037 -0.000 0.000 0.681 274 A CB 1.758 20.758 19.000 -0.000 0.000 1.282 274 A HN 0.653 8.802 8.150 -0.000 0.000 0.421 275 A N -0.235 122.584 122.820 -0.000 0.000 2.601 275 A HA 0.849 5.168 4.320 -0.001 0.000 0.291 275 A C -1.752 175.832 177.584 -0.001 0.000 1.075 275 A CA -0.001 52.036 52.037 -0.001 0.000 0.671 275 A CB 1.753 20.753 19.000 -0.001 0.000 1.277 275 A HN 0.855 9.005 8.150 -0.000 0.000 0.417 276 T N 0.408 114.962 114.554 -0.001 0.000 2.985 276 T HA 0.564 4.914 4.350 -0.000 0.000 0.315 276 T C -2.517 172.182 174.700 -0.001 0.000 1.001 276 T CA -1.634 60.465 62.100 -0.001 0.000 1.016 276 T CB 1.102 69.969 68.868 -0.001 0.000 0.993 276 T HN 0.154 8.394 8.240 -0.001 0.000 0.454 277 P HA 0.252 4.671 4.420 -0.001 0.000 0.275 277 P C -1.517 175.782 177.300 -0.001 0.000 1.266 277 P CA -0.289 62.811 63.100 -0.001 0.000 0.793 277 P CB 1.194 32.894 31.700 -0.001 0.000 1.074 278 E N -0.980 119.219 120.200 -0.002 0.000 2.460 278 E HA 0.629 4.978 4.350 -0.001 0.000 0.277 278 E C -1.636 174.963 176.600 -0.003 0.000 1.010 278 E CA -0.955 55.444 56.400 -0.002 0.000 0.838 278 E CB 2.883 32.582 29.700 -0.003 0.000 1.448 278 E HN 0.356 8.715 8.360 -0.002 0.000 0.462 279 I N -1.084 119.484 120.570 -0.003 0.000 2.961 279 I HA 0.428 4.594 4.170 -0.005 0.000 0.303 279 I C -2.107 174.007 176.117 -0.005 0.000 1.505 279 I CA -0.647 60.651 61.300 -0.004 0.000 0.964 279 I CB 2.464 40.464 38.000 -0.001 0.000 1.348 279 I HN 0.673 8.881 8.210 -0.003 0.000 0.508 280 R N 4.886 125.381 120.500 -0.008 0.000 2.733 280 R HA 0.679 5.015 4.340 -0.006 0.000 0.272 280 R C -2.529 173.761 176.300 -0.016 0.000 1.029 280 R CA -0.943 55.151 56.100 -0.011 0.000 0.888 280 R CB 2.523 32.814 30.300 -0.015 0.000 1.251 280 R HN 0.193 8.457 8.270 -0.009 0.000 0.464 281 V N 0.470 120.374 119.914 -0.018 0.000 2.969 281 V HA 0.404 4.492 4.120 -0.053 0.000 0.304 281 V C -1.795 174.275 176.094 -0.040 0.000 1.192 281 V CA -0.513 61.771 62.300 -0.027 0.000 0.962 281 V CB 2.813 34.644 31.823 0.013 0.000 1.045 281 V HN 0.665 8.847 8.190 -0.013 0.000 0.428 282 N N 2.930 121.563 118.700 -0.112 0.000 2.396 282 N HA 0.610 5.335 4.740 -0.026 0.000 0.275 282 N C -2.002 173.365 175.510 -0.239 0.000 1.218 282 N CA -0.191 52.795 53.050 -0.107 0.000 0.812 282 N CB 2.402 40.828 38.487 -0.102 0.000 1.592 282 N HN 0.444 8.703 8.380 -0.201 0.000 0.480 283 H N -0.080 118.990 119.070 -0.000 0.000 2.950 283 H HA 0.353 4.909 4.556 -0.000 0.000 0.307 283 H C -1.848 173.480 175.328 -0.000 0.000 1.403 283 H CA -0.215 55.833 56.048 -0.000 0.000 1.145 283 H CB 2.335 32.097 29.762 -0.000 0.000 1.844 283 H HN 0.379 8.691 8.280 0.053 0.000 0.515 284 E N 1.146 121.456 120.200 0.183 0.000 2.307 284 E HA 0.269 4.662 4.350 0.072 0.000 0.280 284 E C -2.435 174.202 176.600 0.061 0.000 0.900 284 E CA -1.422 55.031 56.400 0.087 0.000 0.790 284 E CB 1.987 31.722 29.700 0.057 0.000 1.261 284 E HN 0.229 8.744 8.360 0.258 0.000 0.405 285 P HA 0.350 4.773 4.420 0.004 0.000 0.277 285 P C -1.609 175.698 177.300 0.012 0.000 1.271 285 P CA -0.616 62.490 63.100 0.011 0.000 0.795 285 P CB 0.983 32.683 31.700 0.001 0.000 1.101 286 E N -0.692 119.511 120.200 0.005 0.000 2.302 286 E HA 0.261 4.615 4.350 0.008 0.000 0.263 286 E C -2.130 174.471 176.600 0.002 0.000 0.897 286 E CA -1.471 54.932 56.400 0.006 0.000 0.809 286 E CB 0.733 30.437 29.700 0.007 0.000 1.270 286 E HN 0.371 8.731 8.360 -0.001 0.000 0.410 287 P HA 0.654 5.074 4.420 -0.001 0.000 0.289 287 P C -1.745 175.555 177.300 0.000 0.000 1.299 287 P CA -0.765 62.335 63.100 0.000 0.000 0.766 287 P CB 1.168 32.869 31.700 0.001 0.000 1.226 288 A N -2.375 120.445 122.820 -0.000 0.000 2.524 288 A HA 0.783 5.103 4.320 0.000 0.000 0.303 288 A C -1.116 176.468 177.584 -0.001 0.000 1.195 288 A CA 0.013 52.050 52.037 -0.000 0.000 0.651 288 A CB 1.513 20.512 19.000 -0.001 0.000 1.323 288 A HN 0.720 8.870 8.150 -0.001 0.000 0.479 289 G N -2.710 106.090 108.800 -0.001 0.000 2.548 289 G HA2 0.731 4.691 3.960 -0.001 0.000 0.301 289 G HA3 0.731 4.691 3.960 -0.000 0.000 0.301 289 G C -0.730 174.170 174.900 -0.001 0.000 1.349 289 G CA 0.139 45.239 45.100 -0.001 0.000 0.792 289 G HN 1.527 9.816 8.290 -0.001 0.000 0.481 290 G N -1.378 107.422 108.800 -0.001 0.000 2.634 290 G HA2 0.117 4.077 3.960 -0.001 0.000 0.309 290 G HA3 0.117 4.077 3.960 -0.001 0.000 0.309 290 G C -1.688 173.211 174.900 -0.001 0.000 1.299 290 G CA 0.558 45.657 45.100 -0.001 0.000 0.798 290 G HN -0.028 8.262 8.290 -0.001 0.000 0.490 291 A N -0.742 122.077 122.820 -0.001 0.000 2.498 291 A HA 0.557 4.877 4.320 -0.001 0.000 0.298 291 A C -1.391 176.192 177.584 -0.001 0.000 1.075 291 A CA 0.121 52.158 52.037 -0.001 0.000 0.714 291 A CB 1.645 20.645 19.000 -0.001 0.000 1.299 291 A HN -0.212 7.937 8.150 -0.001 0.000 0.407 292 T N 0.893 115.446 114.554 -0.001 0.000 3.150 292 T HA 0.214 4.563 4.350 -0.001 0.000 0.383 292 T C -1.812 172.887 174.700 -0.001 0.000 1.313 292 T CA -1.388 60.711 62.100 -0.001 0.000 1.235 292 T CB 0.263 69.130 68.868 -0.001 0.000 1.088 292 T HN -0.137 8.103 8.240 -0.001 0.000 0.556 293 P HA 0.140 4.559 4.420 -0.001 0.000 0.274 293 P C -0.960 176.339 177.300 -0.001 0.000 1.237 293 P CA -0.293 62.806 63.100 -0.001 0.000 0.793 293 P CB 1.092 32.792 31.700 -0.001 0.000 0.977 294 G N -1.295 107.504 108.800 -0.002 0.000 3.175 294 G HA2 0.687 4.646 3.960 -0.002 0.000 0.153 294 G HA3 0.687 4.646 3.960 -0.002 0.000 0.153 294 G C -1.938 172.961 174.900 -0.002 0.000 1.216 294 G CA -0.283 44.816 45.100 -0.002 0.000 0.943 294 G HN 0.725 9.014 8.290 -0.002 0.000 0.611 295 A N -1.129 121.690 122.820 -0.002 0.000 2.601 295 A HA 0.802 5.121 4.320 -0.002 0.000 0.291 295 A C -0.961 176.622 177.584 -0.002 0.000 1.075 295 A CA -0.217 51.819 52.037 -0.002 0.000 0.671 295 A CB 1.741 20.740 19.000 -0.002 0.000 1.277 295 A HN 0.783 8.932 8.150 -0.002 0.000 0.417 296 T N -2.082 112.471 114.554 -0.002 0.000 2.907 296 T HA 0.686 5.035 4.350 -0.003 0.000 0.290 296 T C -1.880 172.818 174.700 -0.003 0.000 1.066 296 T CA -1.082 61.016 62.100 -0.003 0.000 1.012 296 T CB 2.255 71.121 68.868 -0.003 0.000 1.184 296 T HN 0.190 8.428 8.240 -0.003 0.000 0.522 297 L N 1.454 122.675 121.223 -0.003 0.000 2.420 297 L HA 0.238 4.576 4.340 -0.004 0.000 0.260 297 L C -2.477 174.391 176.870 -0.004 0.000 1.508 297 L CA -1.223 53.615 54.840 -0.003 0.000 0.835 297 L CB 0.583 42.640 42.059 -0.003 0.000 1.018 297 L HN 0.150 8.378 8.230 -0.003 0.000 0.520 298 P HA 0.184 4.601 4.420 -0.004 0.000 0.278 298 P C -1.399 175.897 177.300 -0.005 0.000 1.238 298 P CA -0.497 62.600 63.100 -0.005 0.000 0.794 298 P CB 0.306 32.004 31.700 -0.005 0.000 0.955 299 K N 0.543 120.939 120.400 -0.006 0.000 2.306 299 K HA 0.338 4.654 4.320 -0.007 0.000 0.236 299 K C -1.236 175.360 176.600 -0.008 0.000 1.013 299 K CA -0.804 55.479 56.287 -0.007 0.000 0.857 299 K CB 1.411 33.907 32.500 -0.006 0.000 1.214 299 K HN 0.124 8.371 8.250 -0.006 0.000 0.449 300 S N 0.951 116.646 115.700 -0.009 0.000 2.456 300 S HA 0.383 4.847 4.470 -0.009 0.000 0.316 300 S C -2.024 172.569 174.600 -0.011 0.000 1.089 300 S CA -1.689 56.505 58.200 -0.010 0.000 1.101 300 S CB -0.146 63.048 63.200 -0.011 0.000 0.995 300 S HN 0.130 8.435 8.310 -0.009 0.000 0.468 301 P HA 0.161 4.573 4.420 -0.013 0.000 0.276 301 P C -0.749 176.541 177.300 -0.016 0.000 1.244 301 P CA -0.803 62.289 63.100 -0.013 0.000 0.801 301 P CB 0.743 32.436 31.700 -0.012 0.000 1.006 302 S N 1.584 117.273 115.700 -0.019 0.000 2.414 302 S HA -0.035 4.421 4.470 -0.023 0.000 0.290 302 S C -0.461 174.124 174.600 -0.025 0.000 1.160 302 S CA 0.526 58.712 58.200 -0.023 0.000 1.069 302 S CB -0.051 63.134 63.200 -0.026 0.000 1.012 302 S HN 0.113 8.412 8.310 -0.018 0.000 0.510 303 Q N 5.634 125.418 119.800 -0.025 0.000 2.241 303 Q HA 0.072 4.398 4.340 -0.024 0.000 0.254 303 Q C -0.332 175.648 176.000 -0.033 0.000 0.917 303 Q CA -0.191 55.596 55.803 -0.025 0.000 0.919 303 Q CB 1.102 29.828 28.738 -0.021 0.000 1.237 303 Q HN 0.214 8.469 8.270 -0.024 0.000 0.434 304 L N -0.974 120.228 121.223 -0.034 0.000 3.548 304 L HA -0.359 4.131 4.340 -0.040 -0.174 0.443 304 L C -0.595 176.237 176.870 -0.063 0.000 1.286 304 L CA 0.642 55.456 54.840 -0.044 0.000 0.863 304 L CB -1.502 40.532 42.059 -0.041 0.000 1.734 304 L HN 0.311 8.572 8.230 -0.028 -0.047 0.873 305 R N -1.046 119.416 120.500 -0.064 0.000 2.641 305 R HA -0.119 4.176 4.340 -0.075 0.000 0.269 305 R C -1.522 174.700 176.300 -0.131 0.000 1.074 305 R CA 0.556 56.608 56.100 -0.080 0.000 1.133 305 R CB 1.165 31.428 30.300 -0.062 0.000 1.029 305 R HN 0.264 8.982 8.270 -0.051 -0.479 0.488 306 K N 0.970 121.273 120.400 -0.162 0.000 2.466 306 K HA 0.227 4.327 4.320 -0.367 0.000 0.260 306 K C -1.264 175.182 176.600 -0.257 0.000 1.011 306 K CA -1.192 54.926 56.287 -0.282 0.000 0.871 306 K CB 1.729 34.057 32.500 -0.288 0.000 1.404 306 K HN 0.001 8.175 8.250 -0.127 0.000 0.450 307 G N -1.039 107.522 108.800 -0.398 0.000 2.766 307 G HA2 0.482 4.380 3.960 -0.102 0.000 0.288 307 G HA3 0.482 4.371 3.960 -0.118 0.000 0.288 307 G C -3.031 171.803 174.900 -0.109 0.000 1.408 307 G CA -1.002 43.983 45.100 -0.193 0.000 0.852 307 G HN 0.032 7.893 8.290 -0.716 0.000 0.487 308 P HA 0.383 4.881 4.420 0.129 0.000 0.277 308 P C -2.332 175.199 177.300 0.386 0.000 1.240 308 P CA -1.678 61.520 63.100 0.163 0.000 0.798 308 P CB -0.418 31.343 31.700 0.103 0.000 0.979 309 P HA 0.055 4.699 4.420 0.373 0.000 0.274 309 P C -2.196 175.134 177.300 0.050 0.000 1.237 309 P CA -0.871 62.396 63.100 0.277 0.000 0.793 309 P CB 0.968 32.776 31.700 0.180 0.000 0.977 310 V N 0.799 120.641 119.914 -0.119 0.000 2.313 310 V HA 0.318 4.413 4.120 -0.042 0.000 0.278 310 V C -2.271 173.767 176.094 -0.093 0.000 1.017 310 V CA -4.241 57.998 62.300 -0.101 0.000 0.823 310 V CB 0.114 31.851 31.823 -0.144 0.000 1.010 310 V HN -0.130 7.883 8.190 -0.294 0.000 0.443 311 P HA 0.390 4.781 4.420 -0.048 0.000 0.282 311 P C -2.178 175.095 177.300 -0.045 0.000 1.262 311 P CA -1.674 61.401 63.100 -0.043 0.000 0.773 311 P CB -0.330 31.355 31.700 -0.024 0.000 0.879 312 P HA 0.211 4.607 4.420 -0.040 0.000 0.274 312 P C -1.635 175.647 177.300 -0.031 0.000 1.256 312 P CA -1.694 61.386 63.100 -0.034 0.000 0.795 312 P CB -0.673 31.014 31.700 -0.021 0.000 1.038 313 P HA 0.282 4.678 4.420 -0.041 0.000 0.274 313 P C -1.346 175.943 177.300 -0.018 0.000 1.246 313 P CA -1.066 62.009 63.100 -0.041 0.000 0.795 313 P CB -1.075 30.574 31.700 -0.086 0.000 1.006 314 P HA 0.070 4.489 4.420 -0.003 0.000 0.215 314 P C -0.415 176.890 177.300 0.010 0.000 1.160 314 P CA 1.070 64.168 63.100 -0.004 0.000 0.869 314 P CB 0.545 32.242 31.700 -0.006 0.000 0.782 315 K N -2.997 117.410 120.400 0.013 0.000 2.426 315 K HA 0.190 4.541 4.320 0.051 0.000 0.251 315 K C -1.241 175.404 176.600 0.075 0.000 0.941 315 K CA -0.562 55.750 56.287 0.041 0.000 0.808 315 K CB 3.498 36.016 32.500 0.030 0.000 1.265 315 K HN -0.175 8.073 8.250 -0.003 0.000 0.432 316 H N 0.403 119.470 119.070 -0.004 0.000 2.258 316 H HA 0.236 4.793 4.556 0.001 0.000 0.185 316 H C -0.837 174.489 175.328 -0.003 0.000 0.986 316 H CA 0.342 56.389 56.048 -0.002 0.000 1.166 316 H CB 1.849 31.610 29.762 -0.002 0.000 1.161 316 H HN 0.277 8.651 8.280 0.157 0.000 0.420 317 T N 1.471 116.094 114.554 0.115 0.000 4.054 317 T HA 0.146 4.521 4.350 0.041 0.000 0.353 317 T C -2.617 172.070 174.700 -0.021 0.000 0.979 317 T CA -1.073 61.036 62.100 0.015 0.000 1.047 317 T CB 0.890 69.730 68.868 -0.048 0.000 1.121 317 T HN 0.029 8.324 8.240 0.092 0.000 0.469 318 P HA 0.604 5.015 4.420 -0.015 0.000 0.274 318 P C -1.914 175.373 177.300 -0.022 0.000 1.256 318 P CA -0.440 62.653 63.100 -0.012 0.000 0.795 318 P CB 1.195 32.893 31.700 -0.003 0.000 1.038 319 S N -1.529 114.158 115.700 -0.023 0.000 2.672 319 S HA 0.208 4.665 4.470 -0.021 0.000 0.271 319 S C -1.608 172.980 174.600 -0.020 0.000 1.171 319 S CA -0.487 57.699 58.200 -0.024 0.000 0.817 319 S CB 1.220 64.400 63.200 -0.034 0.000 1.150 319 S HN -0.273 8.025 8.310 -0.020 0.000 0.478 320 K N -1.014 119.374 120.400 -0.019 0.000 2.680 320 K HA 0.380 4.690 4.320 -0.017 0.000 0.295 320 K C -2.217 174.373 176.600 -0.016 0.000 1.052 320 K CA -0.409 55.868 56.287 -0.016 0.000 0.863 320 K CB 2.089 34.581 32.500 -0.013 0.000 1.549 320 K HN 0.547 8.785 8.250 -0.020 0.000 0.391 321 E N 1.057 121.249 120.200 -0.014 0.000 2.287 321 E HA 0.323 4.665 4.350 -0.013 0.000 0.274 321 E C -1.821 174.773 176.600 -0.011 0.000 0.896 321 E CA -0.296 56.096 56.400 -0.013 0.000 0.788 321 E CB 2.050 31.741 29.700 -0.014 0.000 1.244 321 E HN 0.025 8.377 8.360 -0.013 0.000 0.408 322 V N 3.560 123.469 119.914 -0.009 0.000 2.524 322 V HA 0.196 4.311 4.120 -0.008 0.000 0.297 322 V C -1.377 174.712 176.094 -0.007 0.000 1.035 322 V CA -0.284 62.011 62.300 -0.008 0.000 0.867 322 V CB 1.183 33.002 31.823 -0.007 0.000 1.004 322 V HN 0.326 8.510 8.190 -0.010 0.000 0.426 323 K N 6.625 127.021 120.400 -0.007 0.000 2.259 323 K HA 0.382 4.698 4.320 -0.006 0.000 0.249 323 K C -1.330 175.267 176.600 -0.005 0.000 0.942 323 K CA -0.531 55.753 56.287 -0.006 0.000 0.816 323 K CB 0.978 33.474 32.500 -0.006 0.000 1.155 323 K HN 0.268 8.514 8.250 -0.007 0.000 0.428 324 Q N 0.222 120.020 119.800 -0.004 0.000 2.693 324 Q HA 0.331 4.669 4.340 -0.003 0.000 0.306 324 Q C -1.989 174.009 176.000 -0.002 0.000 0.969 324 Q CA -0.557 55.244 55.803 -0.003 0.000 0.757 324 Q CB 1.944 30.680 28.738 -0.002 0.000 1.494 324 Q HN 0.179 8.447 8.270 -0.004 0.000 0.459 325 E N -1.191 119.008 120.200 -0.001 0.000 2.449 325 E HA 0.527 4.876 4.350 -0.001 0.000 0.278 325 E C -1.857 174.744 176.600 0.001 0.000 1.059 325 E CA -0.716 55.684 56.400 -0.001 0.000 0.854 325 E CB 2.672 32.371 29.700 -0.001 0.000 1.465 325 E HN 0.423 8.782 8.360 -0.001 0.000 0.462 326 Q N -0.627 119.174 119.800 0.002 0.000 2.617 326 Q HA 0.460 4.802 4.340 0.004 0.000 0.270 326 Q C -2.170 173.833 176.000 0.006 0.000 0.967 326 Q CA -0.469 55.337 55.803 0.004 0.000 0.887 326 Q CB 2.291 31.032 28.738 0.005 0.000 1.516 326 Q HN 0.509 8.780 8.270 0.002 0.000 0.395 327 I N 2.352 122.927 120.570 0.008 0.000 2.740 327 I HA 0.616 4.792 4.170 0.009 0.000 0.303 327 I C -1.405 174.722 176.117 0.016 0.000 1.044 327 I CA -0.565 60.741 61.300 0.010 0.000 1.064 327 I CB 2.283 40.288 38.000 0.010 0.000 1.249 327 I HN 0.392 8.607 8.210 0.008 0.000 0.433 328 L N 4.144 125.379 121.223 0.020 0.000 2.397 328 L HA 0.630 4.990 4.340 0.033 0.000 0.251 328 L C -1.534 175.359 176.870 0.039 0.000 1.064 328 L CA -0.199 54.659 54.840 0.030 0.000 0.859 328 L CB 2.575 44.651 42.059 0.028 0.000 1.468 328 L HN 0.650 8.890 8.230 0.017 0.000 0.411 329 S N -0.023 115.715 115.700 0.062 0.000 2.811 329 S HA 0.759 5.265 4.470 0.059 0.000 0.311 329 S C -2.005 172.664 174.600 0.115 0.000 1.152 329 S CA -0.741 57.509 58.200 0.083 0.000 0.864 329 S CB 2.928 66.185 63.200 0.095 0.000 1.226 329 S HN 0.197 8.552 8.310 0.075 0.000 0.541 330 L N -0.630 120.683 121.223 0.149 0.000 2.510 330 L HA 0.706 5.095 4.340 0.081 0.000 0.252 330 L C -2.102 174.937 176.870 0.281 0.000 1.091 330 L CA -0.533 54.373 54.840 0.111 0.000 0.888 330 L CB 2.511 44.555 42.059 -0.026 0.000 1.507 330 L HN 0.828 9.145 8.230 0.145 0.000 0.407 331 F N -1.917 118.031 119.950 -0.003 0.000 3.031 331 F HA 0.684 5.209 4.527 -0.003 0.000 0.326 331 F C -1.990 173.807 175.800 -0.006 0.000 1.143 331 F CA -0.536 57.462 58.000 -0.002 0.000 0.871 331 F CB 1.619 40.620 39.000 0.002 0.000 1.377 331 F HN 0.335 8.373 8.300 -0.436 0.000 0.462 332 E N -0.970 119.350 120.200 0.199 0.000 2.421 332 E HA 0.427 4.814 4.350 0.061 0.000 0.276 332 E C -2.478 174.188 176.600 0.110 0.000 1.154 332 E CA -0.479 55.966 56.400 0.074 0.000 0.883 332 E CB 3.306 32.977 29.700 -0.048 0.000 1.429 332 E HN 0.732 9.273 8.360 0.303 0.000 0.436 333 D N 0.016 120.443 120.400 0.046 0.000 2.993 333 D HA 0.368 4.991 4.640 -0.029 0.000 0.284 333 D C -1.762 174.516 176.300 -0.036 0.000 1.172 333 D CA -0.438 53.571 54.000 0.015 0.000 0.729 333 D CB 1.569 42.427 40.800 0.097 0.000 1.270 333 D HN 0.342 8.720 8.370 0.014 0.000 0.436 334 T N -1.455 113.020 114.554 -0.132 0.000 3.003 334 T HA 0.631 4.971 4.350 -0.016 0.000 0.354 334 T C -2.182 172.329 174.700 -0.315 0.000 1.651 334 T CA 0.115 62.127 62.100 -0.145 0.000 1.103 334 T CB 0.799 69.573 68.868 -0.156 0.000 1.450 334 T HN 0.163 8.269 8.240 -0.225 0.000 0.484 335 F N 3.629 123.588 119.950 0.015 0.000 3.410 335 F HA 0.033 4.566 4.527 0.010 0.000 0.328 335 F C -1.181 174.624 175.800 0.010 0.000 1.099 335 F CA -0.191 57.816 58.000 0.011 0.000 0.841 335 F CB 0.885 39.893 39.000 0.012 0.000 1.527 335 F HN -0.251 8.111 8.300 0.102 0.000 0.478 336 V N 1.981 122.073 119.914 0.297 0.000 4.056 336 V HA -0.157 4.025 4.120 0.103 0.000 0.459 336 V C -2.105 174.051 176.094 0.103 0.000 0.682 336 V CA -0.112 62.270 62.300 0.137 0.000 1.872 336 V CB -0.911 30.969 31.823 0.095 0.000 2.268 336 V HN -0.003 8.413 8.190 0.376 0.000 0.494 337 P HA 0.215 4.668 4.420 0.054 0.000 0.277 337 P C -1.296 176.028 177.300 0.040 0.000 1.271 337 P CA -0.672 62.462 63.100 0.057 0.000 0.795 337 P CB 1.110 32.841 31.700 0.053 0.000 1.101 338 E N 0.035 120.253 120.200 0.029 0.000 2.255 338 E HA 0.200 4.564 4.350 0.023 0.000 0.245 338 E C -1.288 175.322 176.600 0.017 0.000 0.909 338 E CA -0.574 55.839 56.400 0.022 0.000 0.747 338 E CB -0.370 29.341 29.700 0.019 0.000 1.215 338 E HN 0.151 8.527 8.360 0.027 0.000 0.424 339 I N 4.325 124.905 120.570 0.016 0.000 2.846 339 I HA 0.294 4.472 4.170 0.012 0.000 0.307 339 I C -0.622 175.502 176.117 0.011 0.000 1.053 339 I CA -0.191 61.117 61.300 0.013 0.000 1.050 339 I CB 1.636 39.644 38.000 0.014 0.000 1.239 339 I HN 0.077 8.298 8.210 0.017 0.000 0.439 340 S N 3.352 119.057 115.700 0.009 0.000 2.605 340 S HA 0.289 4.763 4.470 0.007 0.000 0.324 340 S C -1.944 172.659 174.600 0.006 0.000 0.978 340 S CA -0.144 58.060 58.200 0.007 0.000 0.864 340 S CB 1.178 64.382 63.200 0.007 0.000 1.095 340 S HN 0.121 8.436 8.310 0.008 0.000 0.460 341 V N 1.371 121.289 119.914 0.005 0.000 3.046 341 V HA 0.789 4.912 4.120 0.004 0.000 0.316 341 V C -1.680 174.416 176.094 0.004 0.000 1.104 341 V CA -0.817 61.485 62.300 0.004 0.000 1.006 341 V CB 2.811 34.636 31.823 0.004 0.000 1.058 341 V HN 0.251 8.444 8.190 0.005 0.000 0.440 342 T N 4.304 118.860 114.554 0.003 0.000 2.956 342 T HA 0.410 4.761 4.350 0.003 0.000 0.312 342 T C -1.753 172.949 174.700 0.003 0.000 1.151 342 T CA 0.107 62.209 62.100 0.003 0.000 1.024 342 T CB 1.919 70.789 68.868 0.003 0.000 1.140 342 T HN 0.568 8.810 8.240 0.003 0.000 0.473 343 T N 2.090 116.645 114.554 0.002 0.000 3.103 343 T HA 0.441 4.792 4.350 0.002 0.000 0.352 343 T C -2.280 172.421 174.700 0.002 0.000 1.048 343 T CA -1.821 60.281 62.100 0.002 0.000 1.175 343 T CB 0.915 69.784 68.868 0.002 0.000 1.029 343 T HN -0.110 8.131 8.240 0.002 0.000 0.498 344 P HA 0.439 4.860 4.420 0.001 0.000 0.274 344 P C -1.569 175.731 177.300 0.001 0.000 1.256 344 P CA -0.591 62.510 63.100 0.001 0.000 0.795 344 P CB 1.230 32.931 31.700 0.001 0.000 1.038 345 S N -0.979 114.722 115.700 0.001 0.000 2.586 345 S HA 0.213 4.684 4.470 0.001 0.000 0.277 345 S C -2.370 172.231 174.600 0.001 0.000 1.131 345 S CA -0.148 58.053 58.200 0.001 0.000 0.848 345 S CB 1.402 64.603 63.200 0.001 0.000 1.091 345 S HN 0.297 8.607 8.310 0.001 0.000 0.453 346 Q N 3.274 123.075 119.800 0.001 0.000 2.638 346 Q HA 0.322 4.663 4.340 0.001 0.000 0.227 346 Q C -2.452 173.549 176.000 0.001 0.000 0.842 346 Q CA -0.688 55.116 55.803 0.001 0.000 1.095 346 Q CB 0.757 29.495 28.738 0.001 0.000 1.595 346 Q HN 0.365 8.635 8.270 0.001 0.000 0.511 347 P HA 0.816 5.236 4.420 0.001 0.000 0.312 347 P C -1.853 175.447 177.300 0.001 0.000 1.307 347 P CA -0.676 62.425 63.100 0.001 0.000 0.738 347 P CB 0.871 32.571 31.700 0.001 0.000 1.422 348 A N -2.802 120.018 122.820 0.001 0.000 2.540 348 A HA 0.611 4.932 4.320 0.000 0.000 0.291 348 A C -1.778 175.806 177.584 0.000 0.000 1.083 348 A CA -0.206 51.832 52.037 0.000 0.000 0.650 348 A CB 1.838 20.838 19.000 0.000 0.000 1.292 348 A HN 0.469 8.619 8.150 0.001 0.000 0.435 349 E N -2.063 118.137 120.200 0.000 0.000 2.401 349 E HA 0.577 4.927 4.350 0.000 0.000 0.276 349 E C -1.760 174.840 176.600 0.000 0.000 1.184 349 E CA 0.025 56.425 56.400 0.000 0.000 0.902 349 E CB 2.292 31.993 29.700 0.000 0.000 1.356 349 E HN 1.222 9.582 8.360 0.000 0.000 0.420 350 A N 0.904 123.724 122.820 0.000 0.000 2.456 350 A HA 0.771 5.092 4.320 0.000 0.000 0.294 350 A C -1.998 175.586 177.584 0.000 0.000 1.057 350 A CA -0.033 52.005 52.037 0.000 0.000 0.623 350 A CB 2.356 21.357 19.000 0.000 0.000 1.338 350 A HN 0.486 8.636 8.150 0.000 0.000 0.464 351 S N -1.691 114.009 115.700 0.000 0.000 2.645 351 S HA 0.497 4.967 4.470 0.000 0.000 0.268 351 S C -2.120 172.480 174.600 0.000 0.000 1.110 351 S CA -0.126 58.074 58.200 0.000 0.000 0.823 351 S CB 0.677 63.877 63.200 0.000 0.000 1.091 351 S HN 0.708 9.018 8.310 0.000 0.000 0.466 352 E N 1.216 121.416 120.200 0.000 0.000 2.454 352 E HA 0.483 4.833 4.350 0.000 0.000 0.279 352 E C -1.911 174.689 176.600 0.000 0.000 1.029 352 E CA -0.748 55.653 56.400 0.000 0.000 0.831 352 E CB 1.732 31.432 29.700 0.000 0.000 1.405 352 E HN 0.149 8.509 8.360 0.000 0.000 0.463 353 V N 0.324 120.238 119.914 0.000 0.000 3.629 353 V HA 0.050 4.170 4.120 0.000 0.000 0.194 353 V C -0.178 175.916 176.094 0.000 0.000 1.343 353 V CA 0.213 62.513 62.300 0.000 0.000 1.292 353 V CB 0.179 32.002 31.823 0.000 0.000 1.287 353 V HN 0.003 8.193 8.190 0.000 0.000 0.554 354 A N 0.111 122.931 122.820 0.000 0.000 3.938 354 A HA -0.128 4.192 4.320 0.000 0.000 0.617 354 A C -0.630 176.954 177.584 0.000 0.000 0.745 354 A CA 0.702 52.739 52.037 0.000 0.000 0.311 354 A CB -0.631 18.369 19.000 0.000 0.000 3.551 354 A HN -0.209 7.941 8.150 0.000 0.000 0.519 355 G N -0.243 108.557 108.800 0.000 0.000 4.341 355 G HA2 0.015 3.975 3.960 0.000 0.000 0.251 355 G HA3 0.015 3.975 3.960 0.000 0.000 0.251 355 G C 0.134 175.034 174.900 0.000 0.000 1.036 355 G CA -0.167 44.934 45.100 0.000 0.000 0.708 355 G HN 0.038 8.328 8.290 0.000 0.000 0.510 356 G N 2.674 111.474 108.800 0.000 0.000 2.649 356 G HA2 -0.424 3.536 3.960 0.000 0.000 0.281 356 G HA3 -0.424 3.536 3.960 0.000 0.000 0.281 356 G C -0.189 174.712 174.900 0.000 0.000 1.325 356 G CA -0.421 44.679 45.100 0.000 0.000 0.916 356 G HN -0.160 8.130 8.290 0.000 0.000 0.562 357 T N -0.479 114.075 114.554 0.000 0.000 3.361 357 T HA -0.275 4.075 4.350 0.000 0.000 0.417 357 T C -1.204 173.496 174.700 0.000 0.000 0.769 357 T CA 1.360 63.460 62.100 0.000 0.000 2.085 357 T CB -0.126 68.742 68.868 0.000 0.000 1.689 357 T HN -0.196 8.044 8.240 0.000 0.000 0.639 358 Q N 0.648 120.448 119.800 0.000 0.000 3.087 358 Q HA 0.170 4.510 4.340 0.000 0.000 0.202 358 Q C -2.223 173.777 176.000 0.000 0.000 0.763 358 Q CA -1.198 54.605 55.803 0.000 0.000 1.023 358 Q CB 1.191 29.929 28.738 0.000 0.000 1.570 358 Q HN -0.308 7.962 8.270 0.000 0.000 0.494 359 P HA 0.256 4.676 4.420 0.000 0.000 0.277 359 P C -1.235 176.065 177.300 0.000 0.000 1.240 359 P CA -0.420 62.680 63.100 0.000 0.000 0.798 359 P CB 0.487 32.188 31.700 0.000 0.000 0.979 360 A N 0.606 123.426 122.820 0.000 0.000 2.322 360 A HA 0.256 4.576 4.320 0.000 0.000 0.327 360 A C -1.195 176.389 177.584 0.000 0.000 1.134 360 A CA -0.580 51.457 52.037 0.000 0.000 0.831 360 A CB 1.389 20.389 19.000 0.000 0.000 1.288 360 A HN 0.045 8.195 8.150 0.000 0.000 0.472 361 A N 0.607 123.427 122.820 0.000 0.000 1.554 361 A HA 0.016 4.336 4.320 0.000 0.000 0.198 361 A C -0.230 177.354 177.584 0.000 0.000 1.649 361 A CA 0.604 52.641 52.037 0.000 0.000 1.362 361 A CB -0.038 18.962 19.000 0.000 0.000 1.254 361 A HN 0.390 8.540 8.150 0.000 0.000 0.492 362 G N 0.043 108.844 108.800 0.000 0.000 2.760 362 G HA2 -0.259 3.702 3.960 0.000 0.000 0.236 362 G HA3 -0.259 3.702 3.960 0.000 0.000 0.236 362 G C -1.029 173.871 174.900 0.000 0.000 1.243 362 G CA 0.196 45.297 45.100 0.000 0.000 0.850 362 G HN -0.179 8.112 8.290 0.000 0.000 0.595 363 A N 0.641 123.462 122.820 0.000 0.000 2.588 363 A HA 0.147 4.467 4.320 0.000 0.000 0.290 363 A C -1.657 175.927 177.584 0.000 0.000 1.136 363 A CA -0.332 51.706 52.037 0.000 0.000 0.681 363 A CB 1.477 20.477 19.000 0.000 0.000 1.282 363 A HN 0.099 8.249 8.150 0.000 0.000 0.421 364 Q N -0.691 119.109 119.800 0.000 0.000 2.396 364 Q HA 0.281 4.622 4.340 0.000 0.000 0.221 364 Q C -1.320 174.681 176.000 0.000 0.000 1.025 364 Q CA 0.396 56.199 55.803 0.000 0.000 0.946 364 Q CB 0.880 29.618 28.738 0.000 0.000 1.224 364 Q HN 0.351 8.621 8.270 0.000 0.000 0.539 365 E N 0.180 120.380 120.200 0.000 0.000 2.238 365 E HA 0.361 4.711 4.350 0.000 0.000 0.267 365 E C -2.026 174.574 176.600 0.000 0.000 0.887 365 E CA -2.007 54.393 56.400 0.000 0.000 0.769 365 E CB 0.685 30.385 29.700 0.000 0.000 1.187 365 E HN 0.095 8.455 8.360 0.000 0.000 0.416 366 P HA 0.125 4.545 4.420 0.000 0.000 0.293 366 P C -1.549 175.751 177.300 0.000 0.000 1.298 366 P CA -0.679 62.421 63.100 0.000 0.000 0.757 366 P CB 1.184 32.884 31.700 0.000 0.000 1.262 367 G N -2.284 106.516 108.800 0.000 0.000 2.938 367 G HA2 -0.082 3.878 3.960 0.000 0.000 0.144 367 G HA3 -0.082 3.878 3.960 0.000 0.000 0.144 367 G C -1.337 173.564 174.900 0.000 0.000 1.366 367 G CA 0.343 45.443 45.100 0.000 0.000 0.852 367 G HN -0.043 8.247 8.290 0.000 0.000 0.638 368 E N -0.150 120.051 120.200 0.000 0.000 7.817 368 E HA -0.078 4.272 4.350 0.000 0.000 0.465 368 E C -1.367 175.234 176.600 0.000 0.000 0.577 368 E CA 0.655 57.055 56.400 0.000 0.000 1.011 368 E CB 0.167 29.867 29.700 0.000 0.000 0.978 368 E HN -0.006 8.354 8.360 0.000 0.000 0.274 369 T N -0.442 114.113 114.554 0.000 0.000 2.693 369 T HA 0.187 4.538 4.350 0.000 0.000 0.278 369 T C -1.494 173.206 174.700 0.000 0.000 0.994 369 T CA -0.709 61.391 62.100 0.000 0.000 1.033 369 T CB 1.448 70.316 68.868 0.000 0.000 1.342 369 T HN -0.126 8.114 8.240 0.000 0.000 0.538 370 A N -0.420 122.401 122.820 0.000 0.000 2.524 370 A HA 1.001 5.321 4.320 0.000 0.000 0.289 370 A C -2.037 175.547 177.584 0.000 0.000 1.248 370 A CA -0.645 51.392 52.037 0.000 0.000 0.712 370 A CB 1.379 20.379 19.000 0.000 0.000 1.312 370 A HN 0.887 9.037 8.150 0.000 0.000 0.441 371 A N -0.838 121.982 122.820 0.000 0.000 2.467 371 A HA 0.899 5.219 4.320 0.000 0.000 0.301 371 A C -1.824 175.760 177.584 0.000 0.000 1.126 371 A CA -0.280 51.757 52.037 0.000 0.000 0.632 371 A CB 1.431 20.431 19.000 0.000 0.000 1.331 371 A HN 0.697 8.847 8.150 0.000 0.000 0.482 372 S N -1.194 114.506 115.700 0.000 0.000 2.615 372 S HA 0.480 4.950 4.470 -0.000 0.000 0.268 372 S C -1.423 173.177 174.600 -0.000 0.000 1.146 372 S CA -0.142 58.058 58.200 -0.000 0.000 0.818 372 S CB 2.074 65.273 63.200 -0.000 0.000 1.111 372 S HN 0.502 8.812 8.310 0.000 0.000 0.465 373 E N -0.403 119.797 120.200 -0.000 0.000 2.456 373 E HA 0.783 5.133 4.350 -0.000 0.000 0.278 373 E C -2.012 174.588 176.600 -0.000 0.000 1.034 373 E CA -0.728 55.672 56.400 -0.000 0.000 0.846 373 E CB 2.887 32.587 29.700 -0.000 0.000 1.460 373 E HN 0.525 8.885 8.360 -0.000 0.000 0.463 374 A N -0.264 122.556 122.820 -0.001 0.000 2.483 374 A HA 0.908 5.227 4.320 -0.001 0.000 0.294 374 A C -2.057 175.527 177.584 -0.001 0.000 1.077 374 A CA 0.220 52.256 52.037 -0.001 0.000 0.633 374 A CB 1.552 20.552 19.000 -0.001 0.000 1.318 374 A HN 0.616 8.766 8.150 -0.000 0.000 0.455 375 A N -0.375 122.445 122.820 -0.001 0.000 2.490 375 A HA 0.904 5.223 4.320 -0.001 0.000 0.292 375 A C -1.857 175.726 177.584 -0.001 0.000 1.047 375 A CA 0.349 52.386 52.037 -0.001 0.000 0.632 375 A CB 1.315 20.314 19.000 -0.001 0.000 1.323 375 A HN 2.437 10.586 8.150 -0.001 0.000 0.448 376 S N -0.553 115.146 115.700 -0.002 0.000 2.707 376 S HA 0.826 5.295 4.470 -0.002 0.000 0.270 376 S C -1.042 173.557 174.600 -0.002 0.000 1.031 376 S CA -0.119 58.080 58.200 -0.002 0.000 0.866 376 S CB 0.818 64.016 63.200 -0.002 0.000 1.114 376 S HN 0.746 9.055 8.310 -0.002 0.000 0.465 377 S N -0.489 115.209 115.700 -0.003 0.000 2.690 377 S HA 0.805 5.273 4.470 -0.003 0.000 0.264 377 S C -2.117 172.481 174.600 -0.003 0.000 1.040 377 S CA 0.007 58.206 58.200 -0.003 0.000 0.869 377 S CB 0.471 63.669 63.200 -0.003 0.000 1.132 377 S HN 0.501 8.809 8.310 -0.002 0.000 0.474 378 S N 0.111 115.809 115.700 -0.003 0.000 2.703 378 S HA 0.658 5.126 4.470 -0.003 0.000 0.273 378 S C -2.230 172.367 174.600 -0.004 0.000 1.178 378 S CA -0.030 58.168 58.200 -0.003 0.000 0.838 378 S CB 1.674 64.873 63.200 -0.003 0.000 1.178 378 S HN 0.246 8.554 8.310 -0.004 0.000 0.494 379 L N 1.299 122.519 121.223 -0.004 0.000 2.847 379 L HA 0.350 4.687 4.340 -0.004 0.000 0.243 379 L C -2.636 174.232 176.870 -0.004 0.000 0.978 379 L CA -0.130 54.707 54.840 -0.004 0.000 1.030 379 L CB 0.350 42.407 42.059 -0.004 0.000 1.351 379 L HN 0.241 8.469 8.230 -0.003 0.000 0.512 380 P HA 0.716 5.134 4.420 -0.003 0.000 0.307 380 P C -1.932 175.366 177.300 -0.003 0.000 1.306 380 P CA -0.606 62.492 63.100 -0.003 0.000 0.742 380 P CB 1.368 33.066 31.700 -0.003 0.000 1.349 381 A N -1.981 120.838 122.820 -0.003 0.000 2.586 381 A HA 0.634 4.952 4.320 -0.003 0.000 0.290 381 A C -2.294 175.289 177.584 -0.002 0.000 1.086 381 A CA -0.370 51.665 52.037 -0.003 0.000 0.665 381 A CB 1.987 20.986 19.000 -0.003 0.000 1.279 381 A HN 0.418 8.566 8.150 -0.003 0.000 0.423 382 V N 0.131 120.044 119.914 -0.002 0.000 2.882 382 V HA 0.525 4.645 4.120 -0.001 0.000 0.295 382 V C -2.114 173.981 176.094 0.000 0.000 1.273 382 V CA -0.812 61.487 62.300 -0.001 0.000 0.949 382 V CB 2.186 34.008 31.823 -0.001 0.000 1.071 382 V HN 0.447 8.636 8.190 -0.002 0.000 0.432 383 V N 6.591 126.506 119.914 0.001 0.000 2.850 383 V HA 0.675 4.797 4.120 0.004 0.000 0.315 383 V C -1.894 174.204 176.094 0.006 0.000 1.064 383 V CA -1.152 61.150 62.300 0.003 0.000 0.979 383 V CB 2.212 34.036 31.823 0.003 0.000 1.039 383 V HN 0.373 8.564 8.190 0.001 0.000 0.452 384 V N 2.459 122.378 119.914 0.009 0.000 2.775 384 V HA 0.323 4.450 4.120 0.012 0.000 0.295 384 V C -1.554 174.553 176.094 0.022 0.000 1.226 384 V CA -0.074 62.234 62.300 0.013 0.000 0.934 384 V CB 2.210 34.040 31.823 0.010 0.000 1.056 384 V HN 0.616 8.812 8.190 0.011 0.000 0.436 385 E N 6.353 126.571 120.200 0.030 0.000 2.355 385 E HA 0.569 4.949 4.350 0.049 0.000 0.261 385 E C -1.829 174.809 176.600 0.064 0.000 0.943 385 E CA -0.920 55.511 56.400 0.050 0.000 0.806 385 E CB 3.512 33.245 29.700 0.057 0.000 1.286 385 E HN 0.388 8.764 8.360 0.026 0.000 0.424 386 T N 0.762 115.377 114.554 0.101 0.000 3.578 386 T HA 0.242 4.657 4.350 0.109 0.000 0.343 386 T C -2.137 172.667 174.700 0.174 0.000 1.126 386 T CA -0.367 61.798 62.100 0.108 0.000 1.092 386 T CB 0.627 69.526 68.868 0.052 0.000 1.160 386 T HN 0.018 8.334 8.240 0.126 0.000 0.469 387 F N 6.790 126.737 119.950 -0.004 0.000 2.467 387 F HA 0.517 5.042 4.527 -0.004 0.000 0.336 387 F C -1.594 174.203 175.800 -0.004 0.000 1.123 387 F CA -1.961 56.036 58.000 -0.004 0.000 0.964 387 F CB 1.049 40.047 39.000 -0.004 0.000 1.136 387 F HN 0.091 8.543 8.300 0.254 0.000 0.447 388 P HA 0.232 4.629 4.420 -0.038 0.000 0.307 388 P C -2.182 175.090 177.300 -0.047 0.000 1.306 388 P CA -0.501 62.533 63.100 -0.110 0.000 0.742 388 P CB 0.947 32.548 31.700 -0.165 0.000 1.349 389 A N -1.464 121.335 122.820 -0.035 0.000 2.590 389 A HA 0.480 4.801 4.320 0.002 0.000 0.309 389 A C -1.311 176.269 177.584 -0.007 0.000 1.039 389 A CA -0.338 51.702 52.037 0.005 0.000 0.824 389 A CB 0.793 19.826 19.000 0.054 0.000 1.247 389 A HN 0.696 8.818 8.150 -0.047 0.000 0.394 390 T N 0.126 114.676 114.554 -0.006 0.000 2.841 390 T HA 0.809 5.155 4.350 -0.006 0.000 0.296 390 T C -1.848 172.852 174.700 -0.001 0.000 1.166 390 T CA -1.211 60.884 62.100 -0.008 0.000 1.007 390 T CB 2.466 71.322 68.868 -0.020 0.000 1.253 390 T HN 0.286 8.525 8.240 -0.001 0.000 0.511 391 V N 2.152 122.065 119.914 -0.003 0.000 2.971 391 V HA 0.321 4.441 4.120 -0.000 0.000 0.281 391 V C -2.299 173.793 176.094 -0.004 0.000 1.470 391 V CA -0.138 62.161 62.300 -0.001 0.000 0.966 391 V CB 2.547 34.372 31.823 0.004 0.000 1.156 391 V HN 1.005 9.192 8.190 -0.006 0.000 0.441 392 N N 4.848 123.546 118.700 -0.004 0.000 2.598 392 N HA 0.653 5.390 4.740 -0.006 0.000 0.263 392 N C -1.265 174.242 175.510 -0.006 0.000 1.254 392 N CA -0.104 52.943 53.050 -0.006 0.000 0.863 392 N CB 3.166 41.648 38.487 -0.008 0.000 1.586 392 N HN 0.674 9.052 8.380 -0.003 0.000 0.491 393 G N 0.037 108.833 108.800 -0.007 0.000 2.602 393 G HA2 -0.120 3.835 3.960 -0.008 0.000 0.291 393 G HA3 -0.120 3.837 3.960 -0.006 0.000 0.291 393 G C -0.769 174.127 174.900 -0.006 0.000 0.988 393 G CA 0.317 45.413 45.100 -0.007 0.000 1.295 393 G HN 0.744 9.029 8.290 -0.007 0.000 0.630 394 T N -0.512 114.038 114.554 -0.007 0.000 3.114 394 T HA 0.036 4.383 4.350 -0.005 0.000 0.240 394 T C 0.471 175.167 174.700 -0.007 0.000 0.983 394 T CA -0.134 61.963 62.100 -0.006 0.000 1.151 394 T CB 0.428 69.292 68.868 -0.006 0.000 0.974 394 T HN -0.313 7.923 8.240 -0.008 0.000 0.442 395 V N 4.549 124.457 119.914 -0.009 0.000 2.681 395 V HA -0.203 3.911 4.120 -0.010 0.000 0.306 395 V C -0.371 175.716 176.094 -0.010 0.000 1.077 395 V CA 1.527 63.820 62.300 -0.011 0.000 1.224 395 V CB 0.243 32.057 31.823 -0.014 0.000 0.879 395 V HN -0.410 7.774 8.190 -0.010 0.000 0.494 396 E N 3.354 123.549 120.200 -0.010 0.000 2.611 396 E HA 0.059 4.403 4.350 -0.010 0.000 0.385 396 E C -1.100 175.495 176.600 -0.009 0.000 1.045 396 E CA -0.005 56.390 56.400 -0.009 0.000 0.712 396 E CB 0.631 30.326 29.700 -0.007 0.000 1.519 396 E HN 0.102 8.456 8.360 -0.010 0.000 0.389 397 G N 1.330 110.124 108.800 -0.010 0.000 2.152 397 G HA2 -0.146 3.808 3.960 -0.009 0.000 0.058 397 G HA3 -0.146 3.809 3.960 -0.008 0.000 0.058 397 G C 0.259 175.152 174.900 -0.012 0.000 0.966 397 G CA -0.245 44.849 45.100 -0.009 0.000 1.149 397 G HN 0.188 8.471 8.290 -0.012 0.000 0.402 398 G N 1.361 110.154 108.800 -0.011 0.000 5.045 398 G HA2 -0.284 3.669 3.960 -0.011 0.000 0.229 398 G HA3 -0.284 3.666 3.960 -0.016 0.000 0.229 398 G C -0.136 174.758 174.900 -0.011 0.000 1.440 398 G CA -0.159 44.933 45.100 -0.012 0.000 0.936 398 G HN 0.079 8.364 8.290 -0.008 0.000 0.690 399 S N 1.361 117.054 115.700 -0.012 0.000 3.454 399 S HA -0.299 4.164 4.470 -0.011 0.000 0.508 399 S C -0.538 174.056 174.600 -0.010 0.000 0.738 399 S CA 0.512 58.706 58.200 -0.010 0.000 1.383 399 S CB -0.338 62.858 63.200 -0.007 0.000 0.945 399 S HN -0.006 8.255 8.310 -0.014 0.041 0.768 400 G N 1.115 109.907 108.800 -0.013 0.000 2.494 400 G HA2 0.146 4.101 3.960 -0.008 0.000 0.308 400 G HA3 0.146 4.098 3.960 -0.014 0.000 0.308 400 G C -2.605 172.284 174.900 -0.019 0.000 1.263 400 G CA 0.038 45.130 45.100 -0.013 0.000 0.840 400 G HN -0.172 8.109 8.290 -0.016 0.000 0.479 401 A N -1.064 121.743 122.820 -0.021 0.000 2.560 401 A HA 0.168 4.464 4.320 -0.039 0.000 0.300 401 A C -0.915 176.650 177.584 -0.032 0.000 1.062 401 A CA 0.157 52.177 52.037 -0.028 0.000 0.767 401 A CB 0.985 19.974 19.000 -0.018 0.000 1.288 401 A HN 0.122 8.262 8.150 -0.017 0.000 0.396 402 G N 0.601 109.365 108.800 -0.061 0.000 2.537 402 G HA2 0.224 4.263 3.960 -0.052 0.000 0.297 402 G HA3 0.224 4.109 3.960 -0.145 -0.013 0.297 402 G C -0.983 173.882 174.900 -0.058 0.000 1.310 402 G CA -1.096 43.955 45.100 -0.082 0.000 1.027 402 G HN 0.003 8.248 8.290 -0.075 0.000 0.505 403 R N -2.277 118.185 120.500 -0.062 0.000 2.783 403 R HA -0.158 4.215 4.340 0.055 0.000 0.276 403 R C -0.770 175.483 176.300 -0.078 0.000 1.223 403 R CA 0.297 56.393 56.100 -0.006 0.000 1.173 403 R CB -0.134 30.211 30.300 0.076 0.000 1.157 403 R HN -0.028 8.178 8.270 -0.107 0.000 0.600 404 L N -6.183 115.000 121.223 -0.066 0.000 2.600 404 L HA 0.398 4.687 4.340 -0.085 0.000 0.213 404 L C -0.135 176.670 176.870 -0.109 0.000 1.045 404 L CA 0.600 55.396 54.840 -0.073 0.000 0.863 404 L CB 1.254 43.300 42.059 -0.022 0.000 1.189 404 L HN 0.205 8.412 8.230 -0.038 0.000 0.484 405 D N -0.480 119.806 120.400 -0.191 0.000 2.269 405 D HA 0.242 4.817 4.640 -0.109 0.000 0.244 405 D C -1.269 174.761 176.300 -0.450 0.000 0.992 405 D CA -0.862 53.004 54.000 -0.224 0.000 0.894 405 D CB 3.074 43.814 40.800 -0.100 0.000 1.248 405 D HN -0.134 8.102 8.370 -0.224 0.000 0.468 406 L N -1.535 119.594 121.223 -0.158 0.000 2.456 406 L HA 0.361 4.803 4.340 0.171 0.000 0.257 406 L C -1.975 174.849 176.870 -0.077 0.000 1.162 406 L CA -2.321 52.489 54.840 -0.051 0.000 0.808 406 L CB 0.667 42.742 42.059 0.027 0.000 1.136 406 L HN 0.086 8.277 8.230 -0.066 0.000 0.466 407 P HA 0.413 5.012 4.420 0.298 0.000 0.276 407 P C -2.311 175.028 177.300 0.064 0.000 1.235 407 P CA -1.899 61.248 63.100 0.079 0.000 0.772 407 P CB -0.350 31.296 31.700 -0.089 0.000 0.871 408 P HA 0.046 4.523 4.420 0.095 0.000 0.275 408 P C 0.496 177.839 177.300 0.071 0.000 1.227 408 P CA -0.170 62.982 63.100 0.087 0.000 0.781 408 P CB 0.773 32.519 31.700 0.076 0.000 0.906 409 G N 1.682 110.523 108.800 0.069 0.000 2.284 409 G HA2 -0.315 3.654 3.960 0.015 0.000 0.247 409 G HA3 -0.315 3.653 3.960 0.013 0.000 0.247 409 G C -0.113 174.785 174.900 -0.004 0.000 1.012 409 G CA -0.437 44.678 45.100 0.026 0.000 0.618 409 G HN 0.273 8.610 8.290 0.078 0.000 0.521 410 F N 1.366 121.245 119.950 -0.119 0.000 2.628 410 F HA -0.417 4.081 4.527 -0.229 -0.109 0.362 410 F C -0.874 174.832 175.800 -0.158 0.000 1.106 410 F CA 1.881 59.770 58.000 -0.186 0.000 1.333 410 F CB 0.680 39.548 39.000 -0.219 0.000 0.996 410 F HN -0.770 7.530 8.300 0.177 0.106 0.608 411 M N 5.112 123.931 119.600 -1.301 0.000 3.127 411 M HA 0.031 4.146 4.480 -0.609 0.000 0.228 411 M C -0.578 174.930 176.300 -1.320 0.000 1.558 411 M CA 2.068 56.739 55.300 -1.048 0.000 1.349 411 M CB 1.986 34.080 32.600 -0.845 0.000 1.098 411 M HN 0.974 8.388 8.290 -1.284 0.106 0.582 412 F N -7.701 111.519 119.950 -1.216 0.000 2.817 412 F HA 0.436 4.693 4.527 -0.450 0.000 0.317 412 F C -2.502 173.297 175.800 -0.001 0.000 1.168 412 F CA -2.066 55.616 58.000 -0.530 0.000 0.911 412 F CB 1.753 40.626 39.000 -0.212 0.000 1.337 412 F HN -0.763 6.506 8.300 -1.720 0.000 0.464 413 K N 0.706 121.409 120.400 0.504 0.000 2.130 413 K HA 0.515 5.139 4.320 0.308 -0.119 0.268 413 K C -1.163 175.651 176.600 0.357 0.000 0.983 413 K CA -1.041 55.474 56.287 0.380 0.000 0.893 413 K CB 2.431 35.138 32.500 0.345 0.000 1.066 413 K HN 0.471 9.029 8.250 0.513 0.000 0.450 414 V N -1.331 118.724 119.914 0.235 0.000 3.126 414 V HA 0.634 5.029 4.120 0.225 -0.141 0.314 414 V C -2.697 173.458 176.094 0.102 0.000 1.138 414 V CA -3.274 59.149 62.300 0.205 0.000 1.034 414 V CB 3.878 35.859 31.823 0.264 0.000 1.075 414 V HN 1.213 9.368 8.190 0.153 0.127 0.442 415 Q N 0.821 120.667 119.800 0.076 0.000 2.304 415 Q HA 0.811 5.390 4.340 0.027 -0.223 0.270 415 Q C -1.357 174.635 176.000 -0.014 0.000 1.035 415 Q CA -1.855 53.964 55.803 0.027 0.000 0.781 415 Q CB 4.532 33.279 28.738 0.015 0.000 1.261 415 Q HN 1.045 9.233 8.270 0.090 0.136 0.444 416 A N 6.289 129.088 122.820 -0.035 0.000 2.406 416 A HA -0.002 4.195 4.320 -0.205 0.000 0.243 416 A C -0.935 176.498 177.584 -0.252 0.000 1.082 416 A CA 0.177 52.119 52.037 -0.158 0.000 0.786 416 A CB 1.016 20.005 19.000 -0.017 0.000 1.029 416 A HN 0.540 8.575 8.150 -0.003 0.112 0.495 417 Q N -1.249 118.268 119.800 -0.471 0.000 2.164 417 Q HA 0.177 4.335 4.340 -0.303 0.000 0.226 417 Q C -0.579 175.036 176.000 -0.642 0.000 0.813 417 Q CA -0.079 55.477 55.803 -0.412 0.000 0.978 417 Q CB 2.045 30.620 28.738 -0.272 0.000 1.149 417 Q HN -0.013 7.757 8.270 -0.834 0.000 0.489 418 H N -1.035 117.727 119.070 -0.513 0.000 2.990 418 H HA 0.206 4.751 4.556 -0.017 0.000 0.343 418 H C -1.877 173.618 175.328 0.277 0.000 1.270 418 H CA -1.419 54.562 56.048 -0.112 0.000 1.118 418 H CB 4.028 33.804 29.762 0.023 0.000 1.861 418 H HN -0.406 7.366 8.280 -0.846 0.000 0.544 419 D N -1.138 119.578 120.400 0.526 0.000 2.454 419 D HA 0.034 5.142 4.640 0.477 -0.182 0.225 419 D C -1.405 175.176 176.300 0.469 0.000 1.081 419 D CA -0.152 54.118 54.000 0.450 0.000 0.864 419 D CB -0.548 40.395 40.800 0.239 0.000 1.040 419 D HN 0.143 8.791 8.370 0.464 0.000 0.517 420 Y N 4.835 125.302 120.300 0.280 0.000 2.388 420 Y HA 0.163 4.751 4.550 0.063 0.000 0.328 420 Y C -1.725 174.176 175.900 0.003 0.000 0.963 420 Y CA -1.778 56.316 58.100 -0.009 0.000 1.240 420 Y CB 1.600 39.714 38.460 -0.578 0.000 1.118 420 Y HN -0.105 8.540 8.280 0.608 0.000 0.484 421 T N 10.694 125.001 114.554 -0.412 0.000 2.738 421 T HA -0.029 4.133 4.350 -0.313 0.000 0.293 421 T C -1.504 172.740 174.700 -0.759 0.000 0.913 421 T CA 1.755 63.599 62.100 -0.427 0.000 1.103 421 T CB 0.219 68.980 68.868 -0.179 0.000 0.880 421 T HN 0.385 8.516 8.240 -0.182 0.000 0.526 422 A N 7.677 130.087 122.820 -0.683 0.000 2.273 422 A HA 0.277 4.289 4.320 -0.513 0.000 0.315 422 A C -1.480 176.002 177.584 -0.170 0.000 1.256 422 A CA -1.030 50.720 52.037 -0.479 0.000 0.851 422 A CB 1.589 20.451 19.000 -0.231 0.000 1.172 422 A HN 0.018 7.897 8.150 -0.452 0.000 0.508 423 T N 0.976 115.459 114.554 -0.119 0.000 3.060 423 T HA 0.142 4.463 4.350 -0.049 0.000 0.367 423 T C -1.605 173.072 174.700 -0.038 0.000 1.229 423 T CA -0.836 61.226 62.100 -0.063 0.000 1.104 423 T CB 0.415 69.246 68.868 -0.062 0.000 1.083 423 T HN 0.134 8.298 8.240 -0.127 0.000 0.524 424 D N 1.508 121.895 120.400 -0.020 0.000 2.744 424 D HA 0.214 4.840 4.640 -0.023 0.000 0.304 424 D C 0.918 177.214 176.300 -0.006 0.000 1.179 424 D CA -1.828 52.162 54.000 -0.016 0.000 1.024 424 D CB 2.517 43.308 40.800 -0.015 0.000 1.453 424 D HN -0.302 8.062 8.370 -0.011 0.000 0.529 425 T N -0.435 114.115 114.554 -0.008 0.000 3.160 425 T HA -0.061 4.288 4.350 -0.002 0.000 0.257 425 T C -0.734 173.971 174.700 0.008 0.000 1.147 425 T CA 1.829 63.928 62.100 -0.002 0.000 1.064 425 T CB -0.009 68.854 68.868 -0.008 0.000 0.949 425 T HN 0.431 8.663 8.240 -0.014 0.000 0.526 426 D N -1.970 118.440 120.400 0.016 0.000 3.964 426 D HA 0.133 4.795 4.640 0.036 0.000 0.269 426 D C -1.850 174.486 176.300 0.060 0.000 1.500 426 D CA -0.059 53.962 54.000 0.035 0.000 0.770 426 D CB 0.781 41.600 40.800 0.032 0.000 1.356 426 D HN -0.210 8.095 8.370 0.012 0.073 0.755 427 E N 0.306 120.541 120.200 0.059 0.000 2.280 427 E HA 0.179 4.607 4.350 0.129 0.000 0.261 427 E C -0.929 175.749 176.600 0.130 0.000 1.088 427 E CA -1.079 55.382 56.400 0.102 0.000 0.915 427 E CB 1.377 31.118 29.700 0.069 0.000 1.141 427 E HN -0.636 7.747 8.360 0.038 0.000 0.433 428 L N 1.582 122.934 121.223 0.215 0.000 2.342 428 L HA 0.320 4.739 4.340 0.131 0.000 0.276 428 L C -1.764 175.234 176.870 0.213 0.000 0.997 428 L CA -1.198 53.764 54.840 0.203 0.000 0.838 428 L CB 2.592 44.799 42.059 0.246 0.000 1.224 428 L HN -0.226 8.189 8.230 0.309 0.000 0.416 429 Q N 3.372 123.235 119.800 0.105 0.000 2.304 429 Q HA 0.032 4.365 4.340 -0.011 0.000 0.260 429 Q C -1.125 174.961 176.000 0.142 0.000 0.965 429 Q CA 0.447 56.286 55.803 0.061 0.000 0.898 429 Q CB 0.782 29.524 28.738 0.008 0.000 1.196 429 Q HN 0.108 8.423 8.270 0.076 0.000 0.402 430 L N 5.990 127.347 121.223 0.224 0.000 2.381 430 L HA 0.375 4.863 4.340 0.246 0.000 0.268 430 L C -1.389 175.700 176.870 0.365 0.000 0.997 430 L CA -2.227 52.825 54.840 0.355 0.000 0.818 430 L CB 3.590 46.033 42.059 0.640 0.000 1.310 430 L HN 0.204 8.546 8.230 0.187 0.000 0.416 431 K N 1.135 121.701 120.400 0.278 0.000 2.397 431 K HA 0.182 4.650 4.320 0.247 0.000 0.253 431 K C -1.878 174.810 176.600 0.146 0.000 0.932 431 K CA -2.151 54.259 56.287 0.205 0.000 0.795 431 K CB 1.908 34.479 32.500 0.119 0.000 1.159 431 K HN 0.066 8.450 8.250 0.223 0.000 0.424 432 A N 3.287 126.181 122.820 0.122 0.000 2.500 432 A HA -0.282 4.029 4.320 -0.091 -0.046 0.281 432 A C 0.647 178.214 177.584 -0.029 0.000 1.092 432 A CA 1.981 54.012 52.037 -0.011 0.000 0.909 432 A CB -1.267 17.715 19.000 -0.030 0.000 0.958 432 A HN 0.338 8.634 8.150 0.173 -0.043 0.535 433 G N 1.912 110.682 108.800 -0.050 0.000 2.427 433 G HA2 -0.328 3.686 3.960 -0.051 0.000 0.193 433 G HA3 -0.328 3.614 3.960 -0.030 0.000 0.193 433 G C -1.755 173.147 174.900 0.004 0.000 1.086 433 G CA -0.367 44.713 45.100 -0.033 0.000 0.818 433 G HN 0.280 8.406 8.290 -0.082 0.115 0.490 434 D N -2.042 118.370 120.400 0.019 0.000 2.392 434 D HA 0.244 4.907 4.640 0.038 0.000 0.246 434 D C -1.055 175.264 176.300 0.031 0.000 1.013 434 D CA -2.280 51.745 54.000 0.041 0.000 0.993 434 D CB 3.594 44.441 40.800 0.078 0.000 1.219 434 D HN -0.827 7.547 8.370 0.008 0.000 0.538 435 V N -3.422 116.514 119.914 0.037 0.000 2.448 435 V HA 0.736 5.061 4.120 0.043 -0.180 0.295 435 V C -1.600 174.506 176.094 0.019 0.000 1.025 435 V CA -1.552 60.775 62.300 0.045 0.000 0.859 435 V CB 1.844 33.711 31.823 0.073 0.000 0.988 435 V HN 0.099 8.314 8.190 0.042 0.000 0.431 436 V N 5.508 125.409 119.914 -0.022 0.000 2.841 436 V HA 0.605 4.845 4.120 -0.077 -0.166 0.310 436 V C -1.458 174.598 176.094 -0.063 0.000 1.090 436 V CA -1.449 60.776 62.300 -0.124 0.000 0.930 436 V CB 4.908 36.487 31.823 -0.407 0.000 1.014 436 V HN 0.599 8.684 8.190 0.003 0.107 0.425 437 L N 3.169 124.354 121.223 -0.064 0.000 2.282 437 L HA 0.622 5.160 4.340 0.117 -0.128 0.288 437 L C -0.428 176.399 176.870 -0.072 0.000 1.033 437 L CA -1.541 53.307 54.840 0.012 0.000 0.807 437 L CB 0.675 42.685 42.059 -0.081 0.000 1.209 437 L HN 1.316 9.354 8.230 -0.091 0.138 0.423 438 V N 5.534 125.307 119.914 -0.235 0.000 2.405 438 V HA -0.088 3.956 4.120 -0.128 0.000 0.264 438 V C -1.267 174.585 176.094 -0.405 0.000 1.048 438 V CA 1.412 63.466 62.300 -0.409 0.000 0.966 438 V CB -0.241 30.981 31.823 -1.002 0.000 1.015 438 V HN 1.099 8.986 8.190 -0.315 0.114 0.477 439 I N 3.087 123.528 120.570 -0.214 0.000 2.740 439 I HA 0.617 4.662 4.170 -0.207 0.000 0.303 439 I C -2.748 173.227 176.117 -0.236 0.000 1.044 439 I CA -4.400 56.798 61.300 -0.171 0.000 1.064 439 I CB 2.423 40.392 38.000 -0.053 0.000 1.249 439 I HN -0.181 7.955 8.210 -0.122 0.000 0.433 440 P HA 0.187 4.270 4.420 -0.561 0.000 0.281 440 P C -0.476 176.805 177.300 -0.032 0.000 1.286 440 P CA -0.529 62.415 63.100 -0.260 0.000 0.772 440 P CB -0.565 31.069 31.700 -0.110 0.000 0.862 441 F N 3.340 123.288 119.950 -0.003 0.000 2.521 441 F HA -0.027 4.507 4.527 0.012 0.000 0.298 441 F C 1.016 176.817 175.800 0.001 0.000 1.289 441 F CA -2.178 55.826 58.000 0.006 0.000 1.315 441 F CB -1.146 37.860 39.000 0.010 0.000 1.257 441 F HN -0.102 7.531 8.300 -1.112 0.000 0.541 442 Q N -1.136 118.814 119.800 0.249 0.000 2.311 442 Q HA -0.195 4.214 4.340 0.114 0.000 0.203 442 Q C -0.772 175.217 176.000 -0.019 0.000 0.954 442 Q CA 1.443 57.302 55.803 0.092 0.000 0.885 442 Q CB 0.563 29.323 28.738 0.036 0.000 0.963 442 Q HN 0.551 8.948 8.270 0.213 0.000 0.471 443 N N -3.784 114.769 118.700 -0.245 0.000 2.815 443 N HA 0.234 4.799 4.740 -0.291 0.000 0.253 443 N C -2.049 172.747 175.510 -1.190 0.000 1.202 443 N CA -1.183 51.590 53.050 -0.461 0.000 0.925 443 N CB 2.053 40.383 38.487 -0.262 0.000 1.622 443 N HN -0.783 7.381 8.380 -0.319 0.025 0.497 444 P HA 0.035 3.412 4.420 -1.739 0.000 0.227 444 P C 0.570 177.594 177.300 -0.459 0.000 1.161 444 P CA 1.666 64.212 63.100 -0.923 0.000 0.788 444 P CB 0.365 31.917 31.700 -0.246 0.000 0.822 445 E N -2.235 117.764 120.200 -0.334 0.000 2.274 445 E HA -0.214 4.049 4.350 -0.144 0.000 0.194 445 E C 0.541 177.031 176.600 -0.183 0.000 0.996 445 E CA 2.071 58.355 56.400 -0.193 0.000 0.840 445 E CB -1.479 28.138 29.700 -0.138 0.000 0.772 445 E HN 0.318 8.452 8.360 -0.335 0.025 0.491 446 E N -2.644 117.400 120.200 -0.259 0.000 2.478 446 E HA -0.013 4.264 4.350 -0.121 0.000 0.194 446 E C -0.222 176.308 176.600 -0.116 0.000 1.045 446 E CA 0.061 56.358 56.400 -0.171 0.000 0.868 446 E CB 0.238 29.844 29.700 -0.156 0.000 0.885 446 E HN -0.567 7.402 8.360 -0.398 0.152 0.505 447 Q N -0.118 119.592 119.800 -0.149 0.000 2.259 447 Q HA -0.000 4.406 4.340 0.110 0.000 0.246 447 Q C -1.161 174.855 176.000 0.027 0.000 0.920 447 Q CA 0.151 55.981 55.803 0.045 0.000 0.895 447 Q CB 1.100 29.995 28.738 0.263 0.000 1.220 447 Q HN -0.666 7.241 8.270 -0.295 0.186 0.439 448 D N 2.278 122.712 120.400 0.057 0.000 2.432 448 D HA 0.120 4.744 4.640 -0.027 0.000 0.258 448 D C -0.238 176.140 176.300 0.130 0.000 1.146 448 D CA -1.090 52.919 54.000 0.015 0.000 1.015 448 D CB 1.749 42.450 40.800 -0.164 0.000 1.107 448 D HN -0.051 8.382 8.370 0.105 0.000 0.529 449 E N 0.452 120.734 120.200 0.135 0.000 2.052 449 E HA -0.052 4.373 4.350 0.124 0.000 0.283 449 E C -0.470 176.310 176.600 0.300 0.000 1.071 449 E CA 0.882 57.380 56.400 0.164 0.000 0.851 449 E CB -0.052 29.707 29.700 0.098 0.000 1.066 449 E HN 0.379 8.780 8.360 0.068 0.000 0.396 450 G N 2.895 111.803 108.800 0.180 0.000 2.176 450 G HA2 -0.317 3.605 3.960 -0.064 0.000 0.232 450 G HA3 -0.317 3.623 3.960 -0.033 0.000 0.232 450 G C -1.376 173.403 174.900 -0.202 0.000 0.986 450 G CA -0.105 44.992 45.100 -0.004 0.000 0.643 450 G HN 0.012 8.374 8.290 0.119 0.000 0.522 451 W N -1.228 119.982 121.300 -0.150 0.000 2.761 451 W HA 0.584 5.175 4.660 -0.362 -0.149 0.340 451 W C -1.104 175.278 176.519 -0.229 0.000 1.072 451 W CA -0.945 56.255 57.345 -0.241 0.000 1.215 451 W CB 2.275 31.634 29.460 -0.169 0.000 1.420 451 W HN -0.937 7.427 8.180 0.405 0.059 0.519 452 L N -4.490 116.592 121.223 -0.235 0.000 2.303 452 L HA 0.555 5.061 4.340 0.040 -0.141 0.256 452 L C -1.307 175.543 176.870 -0.034 0.000 1.034 452 L CA -2.246 52.490 54.840 -0.173 0.000 0.832 452 L CB 3.430 45.305 42.059 -0.306 0.000 1.403 452 L HN 0.761 8.627 8.230 -0.607 0.000 0.419 453 M N 0.789 120.433 119.600 0.073 0.000 2.077 453 M HA 0.613 5.468 4.480 0.287 -0.203 0.348 453 M C -0.938 175.503 176.300 0.235 0.000 1.252 453 M CA -0.293 55.126 55.300 0.198 0.000 1.096 453 M CB 0.945 33.660 32.600 0.192 0.000 1.568 453 M HN 0.512 8.761 8.290 -0.068 0.000 0.456 454 G N 4.792 113.839 108.800 0.411 0.000 2.818 454 G HA2 0.832 4.960 3.960 0.106 0.000 0.286 454 G HA3 0.832 4.888 3.960 0.159 0.000 0.286 454 G C -3.613 171.305 174.900 0.030 0.000 1.364 454 G CA -1.542 43.677 45.100 0.199 0.000 0.938 454 G HN -0.244 8.349 8.290 0.505 0.000 0.490 455 V N -1.757 118.116 119.914 -0.068 0.000 2.760 455 V HA 0.340 4.453 4.120 -0.012 0.000 0.309 455 V C -1.922 174.138 176.094 -0.057 0.000 1.077 455 V CA -2.256 60.017 62.300 -0.045 0.000 0.910 455 V CB 4.117 35.914 31.823 -0.043 0.000 1.008 455 V HN 0.474 8.560 8.190 -0.106 0.040 0.424 456 K N 7.312 127.705 120.400 -0.012 0.000 2.219 456 K HA 0.157 4.649 4.320 -0.016 -0.182 0.258 456 K C 0.841 177.498 176.600 0.095 0.000 1.008 456 K CA 0.622 56.921 56.287 0.019 0.000 0.928 456 K CB 0.859 33.378 32.500 0.032 0.000 0.983 456 K HN -0.225 8.225 8.250 0.007 -0.196 0.484 457 E N 2.842 123.117 120.200 0.125 0.000 2.085 457 E HA -0.412 4.154 4.350 0.360 0.000 0.194 457 E C 1.714 178.428 176.600 0.189 0.000 0.994 457 E CA 4.055 60.584 56.400 0.215 0.000 0.801 457 E CB -0.053 29.738 29.700 0.151 0.000 0.743 457 E HN 0.160 8.574 8.360 0.090 0.000 0.453 458 S N -0.993 114.775 115.700 0.114 0.000 2.382 458 S HA -0.305 4.208 4.470 0.070 0.000 0.228 458 S C 1.744 176.413 174.600 0.115 0.000 1.027 458 S CA 3.608 61.860 58.200 0.088 0.000 0.991 458 S CB -0.573 62.662 63.200 0.059 0.000 0.823 458 S HN 0.320 8.683 8.310 0.090 0.001 0.469 459 D N 0.329 120.802 120.400 0.122 0.000 2.178 459 D HA -0.254 4.444 4.640 0.096 0.000 0.201 459 D C 2.034 178.454 176.300 0.201 0.000 0.980 459 D CA 2.959 57.031 54.000 0.120 0.000 0.842 459 D CB -0.558 40.290 40.800 0.080 0.000 0.948 459 D HN -0.039 8.294 8.370 0.107 0.101 0.472 460 W N 1.174 122.482 121.300 0.014 0.000 2.318 460 W HA -0.405 4.279 4.660 0.040 0.000 0.313 460 W C 1.219 177.760 176.519 0.037 0.000 1.221 460 W CA 3.150 60.504 57.345 0.015 0.000 1.266 460 W CB -0.711 28.727 29.460 -0.036 0.000 1.150 460 W HN -0.108 8.138 8.180 0.325 0.129 0.496 461 N N -2.985 115.863 118.700 0.246 0.000 2.272 461 N HA -0.389 4.464 4.740 0.042 -0.088 0.185 461 N C 1.393 176.991 175.510 0.147 0.000 1.014 461 N CA 2.902 56.018 53.050 0.110 0.000 0.870 461 N CB -0.430 38.082 38.487 0.042 0.000 0.975 461 N HN -0.532 7.899 8.380 0.209 0.075 0.433 462 Q N -3.783 116.116 119.800 0.165 0.000 2.247 462 Q HA 0.020 4.421 4.340 0.103 0.000 0.205 462 Q C 0.602 176.690 176.000 0.147 0.000 0.896 462 Q CA -0.972 54.906 55.803 0.124 0.000 0.950 462 Q CB -0.887 27.900 28.738 0.081 0.000 1.054 462 Q HN 0.183 8.371 8.270 0.178 0.189 0.482 463 H N 2.563 121.711 119.070 0.129 0.000 2.496 463 H HA -0.415 4.184 4.556 0.072 0.000 0.296 463 H C 1.509 176.877 175.328 0.067 0.000 1.107 463 H CA 4.114 60.228 56.048 0.111 0.000 1.263 463 H CB -0.014 29.867 29.762 0.199 0.000 1.369 463 H HN 0.557 8.865 8.280 0.388 0.204 0.541 464 K N -0.633 119.805 120.400 0.063 0.000 2.152 464 K HA -0.234 4.069 4.320 -0.029 0.000 0.206 464 K C 0.737 177.287 176.600 -0.083 0.000 1.048 464 K CA 2.533 58.814 56.287 -0.009 0.000 0.933 464 K CB 0.249 32.785 32.500 0.061 0.000 0.721 464 K HN 0.124 8.434 8.250 0.173 0.044 0.447 465 K N -3.063 117.304 120.400 -0.056 0.000 3.209 465 K HA 0.238 4.516 4.320 -0.070 0.000 0.202 465 K C -0.389 176.187 176.600 -0.040 0.000 1.109 465 K CA -0.882 55.376 56.287 -0.048 0.000 0.968 465 K CB -0.285 32.206 32.500 -0.015 0.000 0.732 465 K HN 0.258 8.344 8.250 -0.015 0.155 0.450 466 L N 0.534 121.711 121.223 -0.077 0.000 2.079 466 L HA -0.250 4.090 4.340 0.000 0.000 0.210 466 L C 0.984 177.838 176.870 -0.027 0.000 1.081 466 L CA 3.951 58.767 54.840 -0.040 0.000 0.752 466 L CB -0.076 41.946 42.059 -0.061 0.000 0.896 466 L HN -0.480 7.559 8.230 -0.160 0.095 0.433 467 E N -1.605 118.568 120.200 -0.044 0.000 2.331 467 E HA -0.213 4.133 4.350 -0.007 0.000 0.199 467 E C 0.458 177.056 176.600 -0.002 0.000 1.008 467 E CA 1.974 58.362 56.400 -0.019 0.000 0.843 467 E CB -0.432 29.252 29.700 -0.026 0.000 0.761 467 E HN 0.386 8.695 8.360 -0.077 0.005 0.507 468 K N -5.366 115.032 120.400 -0.004 0.000 2.373 468 K HA 0.193 4.518 4.320 0.008 0.000 0.202 468 K C 0.032 176.641 176.600 0.015 0.000 1.025 468 K CA -0.625 55.666 56.287 0.005 0.000 1.115 468 K CB 1.091 33.592 32.500 0.001 0.000 0.858 468 K HN 0.002 8.043 8.250 -0.013 0.201 0.525 469 C N -1.208 118.103 119.300 0.018 0.000 3.491 469 C HA 0.094 4.572 4.460 0.031 0.000 0.298 469 C C -0.676 174.338 174.990 0.039 0.000 1.424 469 C CA -1.169 57.867 59.018 0.029 0.000 1.772 469 C CB 1.935 29.695 27.740 0.033 0.000 2.447 469 C HN 0.516 8.525 8.230 0.011 0.228 0.670 470 R N 0.158 120.681 120.500 0.039 0.000 2.756 470 R HA -0.238 4.135 4.340 0.056 0.000 0.264 470 R C -0.601 175.748 176.300 0.081 0.000 1.026 470 R CA 1.257 57.393 56.100 0.059 0.000 1.121 470 R CB 0.412 30.748 30.300 0.061 0.000 0.999 470 R HN -0.569 7.672 8.270 0.029 0.047 0.449 471 G N -2.409 106.462 108.800 0.119 0.000 2.600 471 G HA2 0.501 4.761 3.960 0.128 0.000 0.293 471 G HA3 0.501 4.552 3.960 0.152 0.000 0.293 471 G C -3.154 171.892 174.900 0.243 0.000 1.408 471 G CA -0.220 44.973 45.100 0.155 0.000 0.782 471 G HN -0.401 7.967 8.290 0.131 0.000 0.482 472 V N -0.862 119.224 119.914 0.287 0.000 2.864 472 V HA 0.964 5.519 4.120 0.401 -0.195 0.314 472 V C -1.828 174.605 176.094 0.565 0.000 1.073 472 V CA -2.445 60.078 62.300 0.371 0.000 0.956 472 V CB 3.983 35.944 31.823 0.230 0.000 1.023 472 V HN -0.281 8.120 8.190 0.248 -0.062 0.435 473 F N -0.963 119.184 119.950 0.328 0.000 2.678 473 F HA 0.616 5.381 4.527 0.397 0.000 0.308 473 F C -3.532 172.295 175.800 0.045 0.000 1.118 473 F CA -2.950 55.209 58.000 0.265 0.000 0.959 473 F CB 1.520 40.625 39.000 0.175 0.000 1.305 473 F HN 0.720 9.149 8.300 0.214 0.000 0.443 474 P HA 0.252 4.095 4.420 -1.276 -0.189 0.282 474 P C -0.409 176.632 177.300 -0.431 0.000 1.274 474 P CA -0.681 61.735 63.100 -1.140 0.000 0.770 474 P CB 0.222 30.806 31.700 -1.861 0.000 0.867 475 E N 6.185 126.094 120.200 -0.485 0.000 2.150 475 E HA -0.305 4.035 4.350 -0.017 0.000 0.193 475 E C 1.879 178.443 176.600 -0.060 0.000 0.985 475 E CA 2.593 58.878 56.400 -0.191 0.000 0.814 475 E CB 0.422 30.002 29.700 -0.200 0.000 0.752 475 E HN 0.025 8.039 8.360 -0.578 0.000 0.466 476 N N -0.758 117.848 118.700 -0.157 0.000 2.289 476 N HA -0.272 4.432 4.740 -0.061 0.000 0.184 476 N C 0.478 175.975 175.510 -0.022 0.000 1.016 476 N CA 2.355 55.348 53.050 -0.096 0.000 0.872 476 N CB -0.349 38.048 38.487 -0.149 0.000 0.973 476 N HN -0.402 7.793 8.380 -0.292 0.009 0.433 477 F N -2.203 117.624 119.950 -0.205 0.000 2.797 477 F HA 0.098 4.588 4.527 -0.061 0.000 0.302 477 F C -1.811 174.020 175.800 0.051 0.000 1.130 477 F CA -0.501 57.437 58.000 -0.103 0.000 1.387 477 F CB 0.585 39.438 39.000 -0.245 0.000 1.107 477 F HN -0.873 7.291 8.300 0.002 0.137 0.577 478 T N -3.980 110.599 114.554 0.042 0.000 2.864 478 T HA 0.204 4.429 4.350 -0.209 0.000 0.289 478 T C -2.017 172.709 174.700 0.044 0.000 1.082 478 T CA -1.523 60.593 62.100 0.028 0.000 1.009 478 T CB 3.166 72.253 68.868 0.366 0.000 1.234 478 T HN -0.522 7.563 8.240 0.106 0.219 0.526 479 E N -0.963 119.267 120.200 0.050 0.000 2.293 479 E HA 0.285 4.660 4.350 0.041 0.000 0.270 479 E C -1.285 175.367 176.600 0.086 0.000 0.879 479 E CA -2.457 53.969 56.400 0.042 0.000 0.756 479 E CB 3.661 33.357 29.700 -0.006 0.000 1.208 479 E HN 0.615 8.882 8.360 0.047 0.122 0.428 480 R N 4.376 124.910 120.500 0.057 0.000 2.390 480 R HA -0.096 4.361 4.340 0.194 0.000 0.291 480 R C -0.833 175.470 176.300 0.005 0.000 1.070 480 R CA 0.422 56.547 56.100 0.042 0.000 1.014 480 R CB 0.459 30.660 30.300 -0.166 0.000 1.007 480 R HN 0.485 8.765 8.270 0.017 0.000 0.466 481 V N 6.154 126.108 119.914 0.066 0.000 2.357 481 V HA 0.390 4.521 4.120 0.019 0.000 0.284 481 V C -1.834 174.282 176.094 0.037 0.000 1.018 481 V CA -4.163 58.170 62.300 0.056 0.000 0.841 481 V CB 0.642 32.526 31.823 0.102 0.000 0.991 481 V HN 0.550 8.745 8.190 0.175 0.100 0.437 482 P HA 0.000 4.394 4.420 -0.044 0.000 0.216 482 P CA 0.000 63.089 63.100 -0.018 0.000 0.800 482 P CB 0.000 31.675 31.700 -0.042 0.000 0.726