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 3c4c_1_A DATA FIRST_RESID 448 DATA SEQUENCE DDWEIPDGQI TVGQRIGSGS FGTVYKGKWH GDVAVKMLNV TAPTPQQLQA DATA SEQUENCE FKNEVGVLRK TRHVNILLFM GYSTKPQLAI VTQWCEGSSL YHHLHASETK DATA SEQUENCE FEMKKLIDIA RQTARGMDYL HAKSIIHRDL KSNNIFLHED NTVKIGDFGX DATA SEQUENCE XXXXXXXXXX XXXXXXSGSI LWMAPEVIRM QDSNPYSFQS DVYAFGIVLY DATA SEQUENCE ELMTGQLPYS NINNRDQIIE MVGRGSLSPD LSKVRSNCPK RMKRLMAECL DATA SEQUENCE KKKRDERPSF PRILAEIEEL ARELS 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 448 D HA 0.000 4.640 4.640 0.000 0.000 0.175 448 D C 0.000 176.337 176.300 0.061 0.000 2.045 448 D CA 0.000 54.003 54.000 0.006 0.000 0.868 448 D CB 0.000 40.776 40.800 -0.041 0.000 0.688 449 D N -0.993 119.360 120.400 -0.078 0.000 2.362 449 D HA 0.408 5.053 4.640 0.009 0.000 0.247 449 D C -0.879 175.335 176.300 -0.144 0.000 1.050 449 D CA -0.432 53.599 54.000 0.051 0.000 0.839 449 D CB 1.392 42.225 40.800 0.055 0.000 1.283 449 D HN 0.077 8.447 8.370 0.000 0.000 0.477 450 W N 1.280 122.679 121.300 0.166 0.000 2.771 450 W HA 0.218 4.878 4.660 -0.000 0.000 0.412 450 W C 0.533 176.873 176.519 -0.298 0.000 0.965 450 W CA -0.544 56.833 57.345 0.053 0.000 2.045 450 W CB 0.302 29.898 29.460 0.227 0.000 1.176 450 W HN 0.316 8.496 8.180 0.000 0.000 0.634 451 E N 1.327 121.305 120.200 -0.370 0.000 2.344 451 E HA 0.199 4.555 4.350 0.009 0.000 0.270 451 E C -0.343 176.063 176.600 -0.323 0.000 1.021 451 E CA -0.210 55.768 56.400 -0.703 0.000 0.887 451 E CB 0.627 30.006 29.700 -0.536 0.000 0.997 451 E HN 0.053 8.413 8.360 0.000 0.000 0.429 452 I N 7.693 128.061 120.570 -0.336 0.000 2.297 452 I HA 0.202 4.377 4.170 0.009 0.000 0.291 452 I C -2.011 174.031 176.117 -0.124 0.000 1.033 452 I CA -2.184 58.995 61.300 -0.200 0.000 1.253 452 I CB 1.057 38.794 38.000 -0.438 0.000 1.396 452 I HN 0.416 8.626 8.210 0.000 0.000 0.476 453 P HA -0.032 4.388 4.420 0.000 0.000 0.267 453 P C -0.512 176.777 177.300 -0.018 0.000 1.200 453 P CA -0.218 62.869 63.100 -0.023 0.000 0.772 453 P CB 0.414 32.119 31.700 0.008 0.000 0.855 454 D N 0.680 121.069 120.400 -0.019 0.000 2.525 454 D HA 0.203 4.848 4.640 0.009 0.000 0.235 454 D C 1.466 177.761 176.300 -0.009 0.000 1.137 454 D CA 2.206 56.194 54.000 -0.021 0.000 0.868 454 D CB -0.058 40.732 40.800 -0.018 0.000 1.180 454 D HN 0.624 8.994 8.370 0.000 0.000 0.465 455 G N 2.880 111.672 108.800 -0.014 0.000 2.376 455 G HA2 -0.287 3.679 3.960 0.009 0.000 0.208 455 G HA3 -0.287 3.679 3.960 0.009 0.000 0.208 455 G C 1.074 175.982 174.900 0.014 0.000 1.032 455 G CA 0.469 45.566 45.100 -0.005 0.000 0.641 455 G HN 0.550 8.840 8.290 0.000 0.000 0.503 456 Q N 0.108 119.940 119.800 0.052 0.000 2.172 456 Q HA 0.231 4.576 4.340 0.009 0.000 0.200 456 Q C 0.975 177.094 176.000 0.197 0.000 0.964 456 Q CA 0.741 56.632 55.803 0.147 0.000 0.855 456 Q CB 0.346 29.277 28.738 0.322 0.000 0.918 456 Q HN 0.649 8.919 8.270 0.000 0.000 0.444 457 I N 1.546 122.154 120.570 0.064 0.000 2.371 457 I HA 0.050 4.225 4.170 0.009 0.000 0.290 457 I C -0.234 175.873 176.117 -0.017 0.000 1.028 457 I CA -0.058 61.254 61.300 0.020 0.000 1.345 457 I CB 1.539 39.474 38.000 -0.109 0.000 1.407 457 I HN -0.157 8.053 8.210 0.000 0.000 0.501 458 T N 6.267 120.813 114.554 -0.013 0.000 2.891 458 T HA 0.259 4.614 4.350 0.009 0.000 0.315 458 T C 0.071 174.724 174.700 -0.078 0.000 1.054 458 T CA -0.433 61.638 62.100 -0.049 0.000 0.958 458 T CB 0.242 69.084 68.868 -0.044 0.000 1.008 458 T HN 0.184 8.424 8.240 0.000 0.000 0.521 459 V N 3.672 123.516 119.914 -0.116 0.000 2.508 459 V HA 0.459 4.585 4.120 0.009 0.000 0.281 459 V C 1.207 177.209 176.094 -0.155 0.000 1.041 459 V CA 0.150 62.348 62.300 -0.169 0.000 1.016 459 V CB 0.944 32.591 31.823 -0.294 0.000 0.984 459 V HN 0.971 9.161 8.190 0.000 0.000 0.478 460 G N 4.005 112.738 108.800 -0.112 0.000 2.508 460 G HA2 0.241 4.206 3.960 0.009 0.000 0.217 460 G HA3 0.241 4.206 3.960 0.009 0.000 0.217 460 G C -0.131 174.783 174.900 0.022 0.000 2.004 460 G CA -0.226 44.833 45.100 -0.067 0.000 0.750 460 G HN 0.582 8.872 8.290 0.000 0.000 0.730 461 Q N 0.552 120.393 119.800 0.068 0.000 2.278 461 Q HA 0.504 4.849 4.340 0.009 0.000 0.257 461 Q C -0.233 175.885 176.000 0.196 0.000 0.928 461 Q CA -0.363 55.504 55.803 0.107 0.000 0.932 461 Q CB 2.088 30.827 28.738 0.001 0.000 1.221 461 Q HN 0.310 8.580 8.270 0.000 0.000 0.434 462 R N 4.094 124.694 120.500 0.166 0.000 2.242 462 R HA 0.137 4.482 4.340 0.009 0.000 0.334 462 R C 0.150 176.371 176.300 -0.132 0.000 1.071 462 R CA 0.013 56.030 56.100 -0.139 0.000 0.922 462 R CB 0.298 30.532 30.300 -0.110 0.000 1.023 462 R HN 0.744 9.014 8.270 0.000 0.000 0.458 463 I N 2.176 122.652 120.570 -0.157 0.000 2.339 463 I HA 0.120 4.295 4.170 0.009 0.000 0.245 463 I C 1.313 177.391 176.117 -0.066 0.000 1.096 463 I CA 1.179 62.455 61.300 -0.041 0.000 1.408 463 I CB -0.660 37.375 38.000 0.059 0.000 1.092 463 I HN 0.735 8.945 8.210 0.000 0.000 0.423 464 G N -0.536 108.189 108.800 -0.126 0.000 2.427 464 G HA2 0.463 4.429 3.960 0.009 0.000 0.306 464 G HA3 0.463 4.429 3.960 0.009 0.000 0.306 464 G C -0.792 174.064 174.900 -0.073 0.000 1.280 464 G CA 0.448 45.504 45.100 -0.073 0.000 0.837 464 G HN 0.295 8.585 8.290 0.000 0.000 0.482 465 S N -2.161 113.541 115.700 0.003 0.000 4.185 465 S HA 0.978 5.453 4.470 0.009 0.000 0.278 465 S C 0.374 175.077 174.600 0.171 0.000 1.080 465 S CA 0.535 58.764 58.200 0.049 0.000 1.356 465 S CB 1.201 64.400 63.200 -0.003 0.000 1.483 465 S HN 2.781 11.091 8.310 0.000 0.000 0.715 466 G N -0.076 108.761 108.800 0.061 0.000 2.347 466 G HA2 0.328 4.294 3.960 0.009 0.000 0.321 466 G HA3 0.328 4.294 3.960 0.009 0.000 0.321 466 G C 0.188 174.831 174.900 -0.429 0.000 1.412 466 G CA 0.065 45.069 45.100 -0.161 0.000 0.990 466 G HN 0.752 9.042 8.290 0.000 0.000 0.637 467 S N -0.569 114.602 115.700 -0.881 0.000 2.355 467 S HA -0.002 4.473 4.470 0.009 0.000 0.222 467 S C 2.220 176.558 174.600 -0.437 0.000 1.031 467 S CA 2.591 60.438 58.200 -0.588 0.000 0.993 467 S CB -0.615 62.262 63.200 -0.539 0.000 0.859 467 S HN 0.627 8.937 8.310 0.000 0.000 0.453 468 F N 1.474 121.421 119.950 -0.004 0.000 2.052 468 F HA 0.057 4.591 4.527 0.012 0.000 0.297 468 F C 1.626 177.421 175.800 -0.007 0.000 1.166 468 F CA 0.911 58.907 58.000 -0.006 0.000 1.218 468 F CB -1.391 37.606 39.000 -0.005 0.000 0.943 468 F HN 0.368 8.668 8.300 0.000 0.000 0.521 469 G N -1.996 106.971 108.800 0.278 0.000 2.578 469 G HA2 0.494 4.460 3.960 0.009 0.000 0.302 469 G HA3 0.494 4.460 3.960 0.009 0.000 0.302 469 G C -1.549 173.425 174.900 0.123 0.000 1.243 469 G CA -0.269 44.925 45.100 0.156 0.000 0.843 469 G HN 0.179 8.469 8.290 0.000 0.000 0.486 470 T N 0.067 114.667 114.554 0.077 0.000 2.848 470 T HA 0.592 4.947 4.350 0.009 0.000 0.285 470 T C -1.004 173.657 174.700 -0.064 0.000 0.995 470 T CA -0.227 61.862 62.100 -0.020 0.000 0.970 470 T CB 1.795 70.654 68.868 -0.015 0.000 0.976 470 T HN 0.485 8.725 8.240 0.000 0.000 0.441 471 V N 4.535 124.332 119.914 -0.196 0.000 2.409 471 V HA 0.545 4.671 4.120 0.009 0.000 0.291 471 V C -1.199 174.739 176.094 -0.261 0.000 1.020 471 V CA -0.732 61.504 62.300 -0.106 0.000 0.848 471 V CB 0.816 32.610 31.823 -0.050 0.000 0.990 471 V HN 0.812 9.002 8.190 0.000 0.000 0.430 472 Y N 2.528 122.841 120.300 0.022 0.000 2.587 472 Y HA 0.577 5.132 4.550 0.008 0.000 0.337 472 Y C 0.302 176.150 175.900 -0.088 0.000 1.065 472 Y CA -0.945 57.139 58.100 -0.027 0.000 1.126 472 Y CB 1.707 40.138 38.460 -0.049 0.000 1.279 472 Y HN 0.476 8.756 8.280 0.000 0.000 0.489 473 K N 0.242 120.593 120.400 -0.082 0.000 2.090 473 K HA 0.771 5.096 4.320 0.009 0.000 0.250 473 K C -0.452 176.001 176.600 -0.246 0.000 1.004 473 K CA -0.327 55.670 56.287 -0.483 0.000 0.919 473 K CB 0.953 32.957 32.500 -0.827 0.000 1.045 473 K HN 0.909 9.159 8.250 0.000 0.000 0.471 474 G N 1.431 110.061 108.800 -0.284 0.000 2.547 474 G HA2 0.250 4.216 3.960 0.009 0.000 0.291 474 G HA3 0.250 4.216 3.960 0.009 0.000 0.291 474 G C -1.873 172.977 174.900 -0.083 0.000 1.471 474 G CA -0.827 44.188 45.100 -0.140 0.000 0.798 474 G HN 0.336 8.626 8.290 0.000 0.000 0.504 475 K N -0.018 120.359 120.400 -0.038 0.000 2.234 475 K HA 0.477 4.803 4.320 0.009 0.000 0.277 475 K C -1.516 175.155 176.600 0.120 0.000 1.038 475 K CA -0.539 55.751 56.287 0.004 0.000 0.888 475 K CB 1.824 34.301 32.500 -0.038 0.000 1.091 475 K HN 0.578 8.828 8.250 0.000 0.000 0.467 476 W N 4.198 125.434 121.300 -0.107 0.000 3.097 476 W HA 0.148 4.810 4.660 0.004 0.000 0.325 476 W C -0.494 175.985 176.519 -0.067 0.000 1.056 476 W CA -0.232 57.020 57.345 -0.154 0.000 1.254 476 W CB 0.264 29.678 29.460 -0.076 0.000 1.202 476 W HN 0.750 8.930 8.180 0.000 0.000 0.400 477 H N 3.009 121.844 119.070 -0.392 0.000 2.655 477 H HA -0.131 4.431 4.556 0.011 0.000 0.313 477 H C 0.780 176.017 175.328 -0.152 0.000 1.141 477 H CA 2.289 58.108 56.048 -0.381 0.000 1.138 477 H CB -1.250 28.101 29.762 -0.685 0.000 1.446 477 H HN 1.231 9.511 8.280 0.000 0.000 0.415 478 G N -0.587 108.213 108.800 -0.001 0.000 2.422 478 G HA2 -0.125 3.841 3.960 0.009 0.000 0.607 478 G HA3 -0.125 3.841 3.960 0.009 0.000 0.607 478 G C -0.971 173.972 174.900 0.072 0.000 1.270 478 G CA -0.333 44.792 45.100 0.042 0.000 0.992 478 G HN 0.224 8.514 8.290 0.000 0.000 0.499 479 D N 0.160 120.612 120.400 0.086 0.000 2.362 479 D HA 0.535 5.180 4.640 0.009 0.000 0.242 479 D C 1.007 177.407 176.300 0.167 0.000 1.132 479 D CA 0.997 55.039 54.000 0.069 0.000 0.907 479 D CB 1.600 42.448 40.800 0.080 0.000 1.195 479 D HN 1.414 9.784 8.370 0.000 0.000 0.429 480 V N -2.758 117.229 119.914 0.121 0.000 3.203 480 V HA 0.917 5.043 4.120 0.009 0.000 0.305 480 V C -1.473 174.735 176.094 0.190 0.000 1.361 480 V CA -1.124 61.293 62.300 0.195 0.000 1.066 480 V CB 1.533 33.453 31.823 0.162 0.000 1.085 480 V HN 0.617 8.807 8.190 0.000 0.000 0.456 481 A N 0.339 123.301 122.820 0.236 0.000 2.386 481 A HA 0.924 5.249 4.320 0.009 0.000 0.311 481 A C -1.005 176.650 177.584 0.118 0.000 1.068 481 A CA -0.654 51.535 52.037 0.253 0.000 0.743 481 A CB 1.935 21.143 19.000 0.346 0.000 1.258 481 A HN 1.723 9.873 8.150 0.000 0.000 0.429 482 V N 2.171 122.157 119.914 0.119 0.000 2.409 482 V HA 0.379 4.505 4.120 0.009 0.000 0.290 482 V C -0.079 176.101 176.094 0.143 0.000 1.017 482 V CA -0.621 61.738 62.300 0.098 0.000 0.841 482 V CB 1.321 33.183 31.823 0.065 0.000 1.003 482 V HN 0.899 9.089 8.190 0.000 0.000 0.426 483 K N 6.514 126.978 120.400 0.106 0.000 2.266 483 K HA 0.512 4.838 4.320 0.009 0.000 0.274 483 K C -0.160 176.507 176.600 0.111 0.000 1.090 483 K CA -0.419 55.929 56.287 0.101 0.000 0.925 483 K CB 0.439 32.976 32.500 0.063 0.000 1.225 483 K HN 0.691 8.941 8.250 0.000 0.000 0.458 484 M N 5.264 124.945 119.600 0.134 0.000 2.120 484 M HA 0.173 4.658 4.480 0.009 0.000 0.354 484 M C -0.392 175.941 176.300 0.054 0.000 1.287 484 M CA -0.839 54.514 55.300 0.087 0.000 1.103 484 M CB 0.481 33.151 32.600 0.116 0.000 1.623 484 M HN 0.329 8.619 8.290 0.000 0.000 0.471 485 L N 3.190 124.404 121.223 -0.014 0.000 2.473 485 L HA 0.042 4.387 4.340 0.009 0.000 0.268 485 L C 0.970 177.830 176.870 -0.017 0.000 1.215 485 L CA 0.432 55.258 54.840 -0.024 0.000 0.823 485 L CB -0.005 41.985 42.059 -0.115 0.000 1.099 485 L HN 0.664 8.894 8.230 0.000 0.000 0.483 486 N N 1.434 120.130 118.700 -0.007 0.000 2.819 486 N HA 0.267 5.012 4.740 0.009 0.000 0.284 486 N C -1.563 173.929 175.510 -0.029 0.000 1.196 486 N CA 0.189 53.232 53.050 -0.012 0.000 1.114 486 N CB -0.136 38.343 38.487 -0.013 0.000 1.437 486 N HN 0.278 8.658 8.380 0.000 0.000 0.518 487 V N 1.688 121.578 119.914 -0.039 0.000 2.882 487 V HA 0.200 4.325 4.120 0.009 0.000 0.295 487 V C 0.633 176.701 176.094 -0.044 0.000 1.273 487 V CA -0.618 61.653 62.300 -0.048 0.000 0.949 487 V CB 1.622 33.398 31.823 -0.078 0.000 1.071 487 V HN 0.618 8.808 8.190 0.000 0.000 0.432 488 T N 1.854 116.389 114.554 -0.032 0.000 3.065 488 T HA 0.330 4.686 4.350 0.009 0.000 0.234 488 T C 0.786 175.469 174.700 -0.027 0.000 1.017 488 T CA 0.728 62.813 62.100 -0.026 0.000 1.292 488 T CB 0.092 68.950 68.868 -0.017 0.000 1.005 488 T HN 0.954 9.194 8.240 0.000 0.000 0.423 489 A N 3.933 126.740 122.820 -0.021 0.000 2.269 489 A HA 0.570 4.895 4.320 0.009 0.000 0.302 489 A C -2.466 175.107 177.584 -0.017 0.000 1.266 489 A CA -1.595 50.432 52.037 -0.016 0.000 0.894 489 A CB -0.061 18.933 19.000 -0.010 0.000 1.147 489 A HN 0.315 8.465 8.150 0.000 0.000 0.537 490 P HA 0.187 4.607 4.420 0.000 0.000 0.279 490 P C 0.139 177.440 177.300 0.002 0.000 1.318 490 P CA 0.064 63.157 63.100 -0.013 0.000 0.819 490 P CB 0.326 32.022 31.700 -0.007 0.000 0.927 491 T N 1.612 116.166 114.554 0.002 0.000 2.901 491 T HA 0.184 4.540 4.350 0.009 0.000 0.301 491 T C -1.724 172.986 174.700 0.017 0.000 1.012 491 T CA -1.578 60.527 62.100 0.008 0.000 1.135 491 T CB 0.418 69.289 68.868 0.006 0.000 0.936 491 T HN 0.074 8.314 8.240 0.000 0.000 0.539 492 P HA -0.189 4.231 4.420 0.000 0.000 0.217 492 P C 1.693 179.011 177.300 0.029 0.000 1.148 492 P CA 1.166 64.282 63.100 0.027 0.000 0.828 492 P CB -0.037 31.677 31.700 0.023 0.000 0.783 493 Q N -0.719 119.095 119.800 0.023 0.000 2.435 493 Q HA -0.122 4.223 4.340 0.009 0.000 0.207 493 Q C 1.841 177.858 176.000 0.029 0.000 0.956 493 Q CA 1.032 56.849 55.803 0.024 0.000 0.917 493 Q CB -0.546 28.203 28.738 0.017 0.000 0.997 493 Q HN 0.316 8.586 8.270 0.000 0.000 0.497 494 Q N 0.014 119.832 119.800 0.030 0.000 2.212 494 Q HA 0.037 4.383 4.340 0.009 0.000 0.199 494 Q C 1.446 177.486 176.000 0.066 0.000 0.950 494 Q CA 0.284 56.108 55.803 0.034 0.000 0.863 494 Q CB 0.294 29.038 28.738 0.010 0.000 0.944 494 Q HN 0.243 8.513 8.270 0.000 0.000 0.465 495 L N 0.644 121.909 121.223 0.071 0.000 2.633 495 L HA -0.134 4.211 4.340 0.009 0.000 0.235 495 L C 1.706 178.635 176.870 0.099 0.000 1.163 495 L CA 1.413 56.320 54.840 0.113 0.000 0.859 495 L CB -0.080 42.035 42.059 0.094 0.000 0.973 495 L HN 0.165 8.395 8.230 0.000 0.000 0.451 496 Q N -1.674 118.167 119.800 0.068 0.000 2.442 496 Q HA 0.243 4.589 4.340 0.009 0.000 0.228 496 Q C 2.219 178.241 176.000 0.036 0.000 0.902 496 Q CA 1.001 56.827 55.803 0.039 0.000 0.933 496 Q CB 0.038 28.791 28.738 0.025 0.000 1.071 496 Q HN 0.316 8.586 8.270 0.000 0.000 0.562 497 A N 0.156 123.010 122.820 0.057 0.000 1.917 497 A HA -0.207 4.118 4.320 0.009 0.000 0.219 497 A C 1.905 179.547 177.584 0.097 0.000 1.182 497 A CA 1.723 53.796 52.037 0.061 0.000 0.633 497 A CB -0.810 18.229 19.000 0.065 0.000 0.819 497 A HN 0.452 8.602 8.150 0.000 0.000 0.448 498 F N 0.430 120.342 119.950 -0.063 0.000 2.094 498 F HA 0.045 4.578 4.527 0.010 0.000 0.291 498 F C 2.016 177.715 175.800 -0.168 0.000 1.109 498 F CA 1.654 59.595 58.000 -0.097 0.000 1.221 498 F CB -0.391 38.565 39.000 -0.074 0.000 1.014 498 F HN 0.109 8.409 8.300 0.000 0.000 0.473 499 K N 0.011 120.273 120.400 -0.231 0.000 2.442 499 K HA -0.145 4.180 4.320 0.009 0.000 0.198 499 K C 1.361 177.809 176.600 -0.254 0.000 1.044 499 K CA 1.155 57.219 56.287 -0.371 0.000 0.948 499 K CB -0.299 32.088 32.500 -0.187 0.000 0.762 499 K HN 0.270 8.520 8.250 0.000 0.000 0.472 500 N N 0.625 119.229 118.700 -0.160 0.000 2.395 500 N HA -0.061 4.684 4.740 0.009 0.000 0.175 500 N C 1.260 176.675 175.510 -0.158 0.000 1.029 500 N CA 0.589 53.565 53.050 -0.123 0.000 0.897 500 N CB 0.304 38.754 38.487 -0.061 0.000 0.991 500 N HN 0.074 8.454 8.380 0.000 0.000 0.441 501 E N -0.184 119.901 120.200 -0.192 0.000 2.358 501 E HA 0.031 4.386 4.350 0.009 0.000 0.195 501 E C 1.491 177.875 176.600 -0.359 0.000 1.010 501 E CA 0.264 56.539 56.400 -0.210 0.000 0.856 501 E CB 0.215 29.840 29.700 -0.125 0.000 0.795 501 E HN 0.155 8.515 8.360 0.000 0.000 0.504 502 V N 0.084 119.696 119.914 -0.504 0.000 2.500 502 V HA -0.026 4.099 4.120 0.009 0.000 0.243 502 V C 2.264 178.045 176.094 -0.523 0.000 1.039 502 V CA 1.567 63.468 62.300 -0.664 0.000 1.053 502 V CB -0.458 30.825 31.823 -0.901 0.000 0.695 502 V HN 0.276 8.466 8.190 0.000 0.000 0.463 503 G N -0.102 108.494 108.800 -0.340 0.000 2.479 503 G HA2 -0.184 3.781 3.960 0.009 0.000 0.220 503 G HA3 -0.184 3.781 3.960 0.009 0.000 0.220 503 G C 1.500 176.285 174.900 -0.192 0.000 1.115 503 G CA 1.423 46.398 45.100 -0.208 0.000 0.757 503 G HN 0.415 8.705 8.290 0.000 0.000 0.560 504 V N 0.447 120.231 119.914 -0.218 0.000 2.500 504 V HA 0.063 4.189 4.120 0.009 0.000 0.243 504 V C 2.758 178.736 176.094 -0.192 0.000 1.039 504 V CA 0.644 62.853 62.300 -0.151 0.000 1.053 504 V CB -0.241 31.521 31.823 -0.102 0.000 0.695 504 V HN 0.298 8.488 8.190 0.000 0.000 0.463 505 L N 0.986 121.977 121.223 -0.387 0.000 2.131 505 L HA -0.129 4.216 4.340 0.009 0.000 0.210 505 L C 2.419 178.930 176.870 -0.599 0.000 1.092 505 L CA 1.678 56.186 54.840 -0.553 0.000 0.759 505 L CB -0.497 40.960 42.059 -1.003 0.000 0.903 505 L HN 0.485 8.715 8.230 0.000 0.000 0.435 506 R N 0.899 121.030 120.500 -0.615 0.000 2.449 506 R HA -0.007 4.339 4.340 0.009 0.000 0.262 506 R C 1.179 177.392 176.300 -0.145 0.000 1.006 506 R CA 0.094 55.954 56.100 -0.400 0.000 1.104 506 R CB -0.179 29.906 30.300 -0.358 0.000 1.206 506 R HN 0.301 8.571 8.270 0.000 0.000 0.538 507 K N 0.531 120.878 120.400 -0.088 0.000 2.455 507 K HA 0.066 4.392 4.320 0.009 0.000 0.206 507 K C -0.614 176.061 176.600 0.124 0.000 1.027 507 K CA -0.160 56.136 56.287 0.015 0.000 1.113 507 K CB 0.874 33.370 32.500 -0.006 0.000 0.850 507 K HN 0.119 8.369 8.250 0.000 0.000 0.503 508 T N -0.218 114.407 114.554 0.117 0.000 2.947 508 T HA 0.450 4.806 4.350 0.009 0.000 0.337 508 T C -0.598 174.127 174.700 0.042 0.000 1.139 508 T CA -0.833 61.371 62.100 0.173 0.000 0.992 508 T CB 0.643 69.616 68.868 0.174 0.000 1.043 508 T HN 0.162 8.402 8.240 0.000 0.000 0.498 509 R N 2.551 123.048 120.500 -0.005 0.000 2.439 509 R HA 0.683 5.028 4.340 0.009 0.000 0.310 509 R C -1.050 175.086 176.300 -0.273 0.000 0.955 509 R CA -0.844 55.210 56.100 -0.078 0.000 0.853 509 R CB 1.413 31.722 30.300 0.016 0.000 1.171 509 R HN 0.881 9.151 8.270 0.000 0.000 0.449 510 H N 0.281 119.146 119.070 -0.343 0.000 2.967 510 H HA -0.042 4.526 4.556 0.019 0.000 0.279 510 H C -0.609 174.590 175.328 -0.215 0.000 1.227 510 H CA -0.502 55.310 56.048 -0.393 0.000 1.549 510 H CB 1.195 30.483 29.762 -0.790 0.000 1.984 510 H HN 0.260 8.540 8.280 0.000 0.000 0.505 511 V N 3.023 122.920 119.914 -0.029 0.000 2.970 511 V HA -0.027 4.098 4.120 0.009 0.000 0.260 511 V C 0.388 176.558 176.094 0.126 0.000 1.100 511 V CA 2.042 64.367 62.300 0.042 0.000 1.122 511 V CB -0.319 31.487 31.823 -0.028 0.000 0.721 511 V HN 0.735 8.925 8.190 0.000 0.000 0.483 512 N N 0.255 119.107 118.700 0.254 0.000 2.234 512 N HA 0.242 4.987 4.740 0.009 0.000 0.227 512 N C -0.293 175.176 175.510 -0.069 0.000 1.151 512 N CA -0.027 53.056 53.050 0.054 0.000 0.865 512 N CB 1.134 39.626 38.487 0.008 0.000 1.066 512 N HN 0.334 8.714 8.380 0.000 0.000 0.515 513 I N 2.091 122.629 120.570 -0.053 0.000 2.411 513 I HA 0.197 4.373 4.170 0.009 0.000 0.284 513 I C 0.280 176.433 176.117 0.060 0.000 1.012 513 I CA -0.936 60.341 61.300 -0.039 0.000 1.119 513 I CB 1.508 39.416 38.000 -0.152 0.000 1.261 513 I HN -0.044 8.166 8.210 0.000 0.000 0.448 514 L N 6.749 128.041 121.223 0.115 0.000 2.714 514 L HA -0.155 4.191 4.340 0.009 0.000 0.301 514 L C -0.145 176.775 176.870 0.085 0.000 1.248 514 L CA 0.541 55.445 54.840 0.107 0.000 0.885 514 L CB 0.182 42.335 42.059 0.157 0.000 1.143 514 L HN 0.494 8.724 8.230 0.000 0.000 0.500 515 L N 7.034 128.282 121.223 0.041 0.000 2.334 515 L HA 0.263 4.608 4.340 0.009 0.000 0.286 515 L C -0.511 176.387 176.870 0.047 0.000 1.108 515 L CA 0.172 55.032 54.840 0.033 0.000 0.875 515 L CB -0.479 41.578 42.059 -0.003 0.000 1.246 515 L HN 0.529 8.759 8.230 0.000 0.000 0.439 516 F N 5.689 125.586 119.950 -0.087 0.000 2.529 516 F HA 0.226 4.757 4.527 0.007 0.000 0.365 516 F C 0.808 176.520 175.800 -0.146 0.000 1.102 516 F CA 0.448 58.370 58.000 -0.130 0.000 1.271 516 F CB 0.740 39.628 39.000 -0.186 0.000 1.120 516 F HN 0.651 8.951 8.300 0.000 0.000 0.579 517 M N 3.532 122.544 119.600 -0.981 0.000 2.060 517 M HA 0.340 4.825 4.480 0.009 0.000 0.273 517 M C 0.349 176.226 176.300 -0.704 0.000 1.139 517 M CA 0.336 55.264 55.300 -0.620 0.000 1.091 517 M CB 1.263 33.757 32.600 -0.177 0.000 1.860 517 M HN 0.732 9.022 8.290 0.000 0.000 0.638 518 G N 0.481 108.694 108.800 -0.977 0.000 2.411 518 G HA2 0.463 4.429 3.960 0.009 0.000 0.295 518 G HA3 0.463 4.429 3.960 0.009 0.000 0.295 518 G C -2.331 172.442 174.900 -0.212 0.000 1.542 518 G CA -0.712 44.074 45.100 -0.525 0.000 0.814 518 G HN 0.216 8.506 8.290 0.000 0.000 0.557 519 Y N -0.249 120.030 120.300 -0.035 0.000 2.391 519 Y HA 0.836 5.390 4.550 0.007 0.000 0.341 519 Y C 0.234 176.189 175.900 0.092 0.000 0.965 519 Y CA -1.188 56.983 58.100 0.119 0.000 1.067 519 Y CB 1.602 40.199 38.460 0.228 0.000 1.199 519 Y HN 0.501 8.781 8.280 0.000 0.000 0.450 520 S N 1.695 117.459 115.700 0.108 0.000 2.634 520 S HA 0.375 4.850 4.470 0.009 0.000 0.261 520 S C 0.410 175.137 174.600 0.211 0.000 1.271 520 S CA 0.053 58.272 58.200 0.031 0.000 0.985 520 S CB 1.387 64.583 63.200 -0.006 0.000 0.968 520 S HN 0.919 9.229 8.310 0.000 0.000 0.568 521 T N -0.320 114.296 114.554 0.103 0.000 3.154 521 T HA 0.196 4.552 4.350 0.009 0.000 0.258 521 T C 1.860 176.586 174.700 0.042 0.000 0.899 521 T CA 0.510 62.686 62.100 0.128 0.000 0.908 521 T CB -0.251 68.724 68.868 0.177 0.000 1.260 521 T HN 0.499 8.739 8.240 0.000 0.000 0.521 522 K N 1.720 122.128 120.400 0.015 0.000 2.202 522 K HA 0.302 4.627 4.320 0.009 0.000 0.201 522 K C 0.103 176.694 176.600 -0.015 0.000 1.051 522 K CA 0.909 57.197 56.287 0.001 0.000 0.977 522 K CB -1.717 30.781 32.500 -0.003 0.000 0.792 522 K HN 0.448 8.698 8.250 0.000 0.000 0.469 523 P HA 0.096 4.516 4.420 0.000 0.000 0.217 523 P C -0.114 177.162 177.300 -0.041 0.000 1.153 523 P CA 0.628 63.705 63.100 -0.038 0.000 0.843 523 P CB 0.605 32.272 31.700 -0.054 0.000 0.794 524 Q N -1.313 118.462 119.800 -0.042 0.000 2.527 524 Q HA 0.346 4.692 4.340 0.009 0.000 0.280 524 Q C -1.032 174.924 176.000 -0.072 0.000 0.977 524 Q CA -0.756 55.014 55.803 -0.054 0.000 0.837 524 Q CB 1.994 30.703 28.738 -0.049 0.000 1.454 524 Q HN -0.069 8.201 8.270 0.000 0.000 0.387 525 L N 1.607 122.740 121.223 -0.151 0.000 2.593 525 L HA 0.279 4.625 4.340 0.009 0.000 0.287 525 L C -0.011 176.728 176.870 -0.218 0.000 1.243 525 L CA 0.675 55.313 54.840 -0.337 0.000 0.890 525 L CB -0.203 41.458 42.059 -0.662 0.000 1.134 525 L HN 0.773 9.003 8.230 0.000 0.000 0.502 526 A N 4.854 127.641 122.820 -0.055 0.000 2.599 526 A HA 0.716 5.041 4.320 0.009 0.000 0.294 526 A C -1.246 176.554 177.584 0.360 0.000 1.055 526 A CA -0.573 51.534 52.037 0.118 0.000 0.683 526 A CB 1.096 20.134 19.000 0.063 0.000 1.278 526 A HN 0.537 8.687 8.150 0.000 0.000 0.412 527 I N 1.097 121.834 120.570 0.278 0.000 2.441 527 I HA 0.573 4.749 4.170 0.009 0.000 0.295 527 I C -0.598 175.590 176.117 0.117 0.000 0.994 527 I CA -0.914 60.558 61.300 0.288 0.000 1.144 527 I CB 2.064 40.215 38.000 0.251 0.000 1.314 527 I HN 0.421 8.631 8.210 0.000 0.000 0.445 528 V N 4.082 124.002 119.914 0.011 0.000 2.715 528 V HA 0.792 4.917 4.120 0.009 0.000 0.310 528 V C 0.022 176.039 176.094 -0.129 0.000 1.054 528 V CA -0.392 61.842 62.300 -0.110 0.000 0.928 528 V CB 1.886 33.533 31.823 -0.294 0.000 1.007 528 V HN 0.908 9.098 8.190 0.000 0.000 0.437 529 T N -0.051 114.477 114.554 -0.043 0.000 2.731 529 T HA 0.462 4.818 4.350 0.009 0.000 0.300 529 T C -0.719 174.016 174.700 0.059 0.000 1.283 529 T CA -0.883 61.210 62.100 -0.011 0.000 1.005 529 T CB 1.704 70.584 68.868 0.020 0.000 1.420 529 T HN 0.856 9.096 8.240 0.000 0.000 0.503 530 Q N 0.787 120.613 119.800 0.044 0.000 2.386 530 Q HA 0.060 4.406 4.340 0.009 0.000 0.282 530 Q C -0.472 175.595 176.000 0.111 0.000 1.050 530 Q CA -0.658 55.182 55.803 0.061 0.000 0.918 530 Q CB 0.765 29.479 28.738 -0.040 0.000 1.266 530 Q HN 0.749 9.019 8.270 0.000 0.000 0.423 531 W N 3.413 124.689 121.300 -0.039 0.000 2.272 531 W HA 0.386 5.049 4.660 0.005 0.000 0.318 531 W C -1.245 175.247 176.519 -0.044 0.000 1.255 531 W CA -0.969 56.352 57.345 -0.040 0.000 1.200 531 W CB 1.342 30.802 29.460 0.000 0.000 1.170 531 W HN 0.702 8.882 8.180 0.000 0.000 0.549 532 C N 4.741 123.380 119.300 -1.102 0.000 2.401 532 C HA 0.483 4.948 4.460 0.009 0.000 0.356 532 C C -0.192 174.339 174.990 -0.766 0.000 1.192 532 C CA -0.448 58.173 59.018 -0.662 0.000 2.028 532 C CB 1.764 29.219 27.740 -0.476 0.000 2.344 532 C HN 0.528 8.758 8.230 0.000 0.000 0.525 533 E N 0.476 120.569 120.200 -0.179 0.000 2.248 533 E HA 0.548 4.903 4.350 0.009 0.000 0.267 533 E C 0.391 176.946 176.600 -0.074 0.000 0.877 533 E CA 0.378 56.723 56.400 -0.092 0.000 0.759 533 E CB 1.841 31.564 29.700 0.039 0.000 1.182 533 E HN 1.112 9.472 8.360 0.000 0.000 0.418 534 G N 2.649 111.416 108.800 -0.055 0.000 2.848 534 G HA2 -0.233 3.732 3.960 0.009 0.000 0.246 534 G HA3 -0.233 3.732 3.960 0.009 0.000 0.246 534 G C -0.116 174.704 174.900 -0.132 0.000 1.374 534 G CA 0.177 45.251 45.100 -0.044 0.000 0.982 534 G HN 1.194 9.484 8.290 0.000 0.000 0.563 535 S N -1.179 114.409 115.700 -0.186 0.000 2.636 535 S HA 0.776 5.252 4.470 0.009 0.000 0.266 535 S C -0.140 174.336 174.600 -0.206 0.000 1.147 535 S CA 0.939 58.987 58.200 -0.254 0.000 0.815 535 S CB 0.941 63.851 63.200 -0.483 0.000 1.119 535 S HN 2.515 10.825 8.310 0.000 0.000 0.470 536 S N 0.722 116.399 115.700 -0.039 0.000 2.655 536 S HA 0.507 4.982 4.470 0.009 0.000 0.265 536 S C 1.185 175.813 174.600 0.046 0.000 1.240 536 S CA -0.330 57.922 58.200 0.087 0.000 0.986 536 S CB 0.610 63.953 63.200 0.239 0.000 0.985 536 S HN 1.247 9.557 8.310 0.000 0.000 0.562 537 L N 0.732 122.009 121.223 0.090 0.000 2.012 537 L HA -0.024 4.321 4.340 0.009 0.000 0.210 537 L C 2.124 179.087 176.870 0.155 0.000 1.073 537 L CA 1.911 56.834 54.840 0.139 0.000 0.748 537 L CB -1.739 40.382 42.059 0.103 0.000 0.891 537 L HN 0.889 9.119 8.230 0.000 0.000 0.431 538 Y N -0.215 120.127 120.300 0.069 0.000 2.069 538 Y HA -0.384 4.171 4.550 0.008 0.000 0.278 538 Y C 2.965 178.918 175.900 0.089 0.000 1.175 538 Y CA 2.490 60.661 58.100 0.118 0.000 1.134 538 Y CB -0.525 38.059 38.460 0.207 0.000 0.965 538 Y HN 0.475 8.755 8.280 0.000 0.000 0.498 539 H N -0.919 118.312 119.070 0.268 0.000 2.387 539 H HA -0.200 4.362 4.556 0.010 0.000 0.299 539 H C 1.889 177.273 175.328 0.093 0.000 1.099 539 H CA 2.480 58.632 56.048 0.173 0.000 1.315 539 H CB -0.413 29.399 29.762 0.083 0.000 1.380 539 H HN 0.635 8.915 8.280 0.000 0.000 0.513 540 H N -1.112 118.037 119.070 0.133 0.000 2.372 540 H HA -0.044 4.517 4.556 0.008 0.000 0.301 540 H C 1.937 177.119 175.328 -0.244 0.000 1.065 540 H CA 0.472 56.514 56.048 -0.011 0.000 1.364 540 H CB 0.530 30.370 29.762 0.130 0.000 1.406 540 H HN 0.168 8.448 8.280 0.000 0.000 0.521 541 L N 0.198 121.291 121.223 -0.217 0.000 2.552 541 L HA -0.089 4.256 4.340 0.009 0.000 0.227 541 L C 1.072 177.538 176.870 -0.674 0.000 1.146 541 L CA 1.322 55.867 54.840 -0.492 0.000 0.858 541 L CB -0.267 41.430 42.059 -0.605 0.000 0.969 541 L HN 0.449 8.679 8.230 0.000 0.000 0.451 542 H N -2.516 116.442 119.070 -0.186 0.000 1.855 542 H HA 0.413 4.975 4.556 0.010 0.000 0.178 542 H C 1.038 176.250 175.328 -0.194 0.000 0.923 542 H CA 0.458 56.371 56.048 -0.225 0.000 0.993 542 H CB 0.051 29.582 29.762 -0.384 0.000 1.078 542 H HN 0.034 8.314 8.280 0.000 0.000 0.349 543 A N 0.698 123.428 122.820 -0.150 0.000 2.827 543 A HA 0.439 4.764 4.320 0.009 0.000 0.300 543 A C 1.098 178.408 177.584 -0.457 0.000 1.237 543 A CA 0.394 52.302 52.037 -0.215 0.000 0.964 543 A CB 0.154 19.093 19.000 -0.102 0.000 1.143 543 A HN 0.242 8.392 8.150 0.000 0.000 0.554 544 S N -0.271 115.216 115.700 -0.355 0.000 2.741 544 S HA 0.203 4.679 4.470 0.009 0.000 0.245 544 S C 0.350 174.885 174.600 -0.109 0.000 1.083 544 S CA 0.747 58.855 58.200 -0.152 0.000 0.873 544 S CB 0.049 63.275 63.200 0.044 0.000 0.814 544 S HN 0.606 8.916 8.310 0.000 0.000 0.476 545 E N 1.059 121.173 120.200 -0.142 0.000 2.759 545 E HA -0.114 4.242 4.350 0.009 0.000 0.280 545 E C -0.629 175.857 176.600 -0.191 0.000 1.009 545 E CA 0.763 57.081 56.400 -0.136 0.000 0.849 545 E CB -2.595 27.054 29.700 -0.085 0.000 1.415 545 E HN 0.371 8.731 8.360 0.000 0.000 0.412 546 T N 0.992 115.362 114.554 -0.307 0.000 2.769 546 T HA 0.167 4.523 4.350 0.009 0.000 0.293 546 T C 0.424 174.838 174.700 -0.476 0.000 0.931 546 T CA -0.363 61.462 62.100 -0.459 0.000 1.139 546 T CB 0.686 69.048 68.868 -0.844 0.000 0.881 546 T HN 0.076 8.316 8.240 0.000 0.000 0.532 547 K N 3.177 123.410 120.400 -0.278 0.000 2.472 547 K HA 0.181 4.506 4.320 0.009 0.000 0.280 547 K C -0.795 175.702 176.600 -0.171 0.000 1.028 547 K CA 0.466 56.650 56.287 -0.172 0.000 1.045 547 K CB -0.008 32.444 32.500 -0.080 0.000 0.902 547 K HN 0.505 8.755 8.250 0.000 0.000 0.478 548 F N 2.466 122.375 119.950 -0.067 0.000 2.469 548 F HA 0.207 4.741 4.527 0.011 0.000 0.332 548 F C 0.807 176.580 175.800 -0.045 0.000 1.103 548 F CA -1.085 56.879 58.000 -0.060 0.000 0.979 548 F CB 1.594 40.560 39.000 -0.055 0.000 1.137 548 F HN 0.507 8.807 8.300 0.000 0.000 0.463 549 E N 2.383 122.684 120.200 0.167 0.000 2.390 549 E HA 0.015 4.370 4.350 0.009 0.000 0.261 549 E C 1.021 177.649 176.600 0.047 0.000 1.076 549 E CA -0.685 55.758 56.400 0.072 0.000 0.905 549 E CB 1.072 30.798 29.700 0.044 0.000 0.984 549 E HN 0.660 9.020 8.360 0.000 0.000 0.427 550 M N 3.769 123.382 119.600 0.023 0.000 2.103 550 M HA -0.246 4.239 4.480 0.009 0.000 0.255 550 M C 1.848 178.145 176.300 -0.006 0.000 1.074 550 M CA 1.993 57.296 55.300 0.005 0.000 1.090 550 M CB -0.697 31.902 32.600 -0.002 0.000 1.325 550 M HN 0.609 8.899 8.290 0.000 0.000 0.403 551 K N -0.675 119.720 120.400 -0.007 0.000 2.001 551 K HA -0.240 4.086 4.320 0.009 0.000 0.214 551 K C 2.156 178.731 176.600 -0.042 0.000 1.050 551 K CA 1.607 57.883 56.287 -0.018 0.000 0.934 551 K CB -0.250 32.242 32.500 -0.013 0.000 0.718 551 K HN 0.155 8.405 8.250 0.000 0.000 0.443 552 K N 0.606 120.971 120.400 -0.059 0.000 2.147 552 K HA -0.114 4.211 4.320 0.009 0.000 0.205 552 K C 2.062 178.532 176.600 -0.218 0.000 1.049 552 K CA 0.711 56.908 56.287 -0.150 0.000 0.936 552 K CB -0.109 32.285 32.500 -0.176 0.000 0.722 552 K HN 0.119 8.369 8.250 0.000 0.000 0.446 553 L N 0.797 121.945 121.223 -0.124 0.000 2.109 553 L HA -0.033 4.313 4.340 0.009 0.000 0.207 553 L C 2.107 178.942 176.870 -0.060 0.000 1.086 553 L CA 1.181 55.965 54.840 -0.094 0.000 0.760 553 L CB -0.532 41.523 42.059 -0.007 0.000 0.910 553 L HN 0.071 8.301 8.230 0.000 0.000 0.437 554 I N -0.678 119.869 120.570 -0.038 0.000 2.353 554 I HA -0.249 3.926 4.170 0.009 0.000 0.248 554 I C 2.185 178.299 176.117 -0.005 0.000 1.119 554 I CA 1.186 62.481 61.300 -0.008 0.000 1.417 554 I CB -0.242 37.758 38.000 -0.001 0.000 1.078 554 I HN 0.229 8.439 8.210 0.000 0.000 0.421 555 D N 1.464 121.843 120.400 -0.035 0.000 2.097 555 D HA -0.181 4.464 4.640 0.009 0.000 0.195 555 D C 2.129 178.412 176.300 -0.028 0.000 0.989 555 D CA 1.559 55.540 54.000 -0.031 0.000 0.827 555 D CB -0.115 40.650 40.800 -0.057 0.000 0.966 555 D HN 0.301 8.671 8.370 0.000 0.000 0.456 556 I N 0.438 120.965 120.570 -0.071 0.000 2.248 556 I HA -0.283 3.893 4.170 0.009 0.000 0.248 556 I C 2.439 178.569 176.117 0.022 0.000 1.107 556 I CA 1.196 62.462 61.300 -0.056 0.000 1.373 556 I CB -0.275 37.649 38.000 -0.127 0.000 1.055 556 I HN 0.082 8.292 8.210 0.000 0.000 0.418 557 A N 0.590 123.439 122.820 0.050 0.000 1.897 557 A HA -0.208 4.117 4.320 0.009 0.000 0.215 557 A C 2.387 180.099 177.584 0.214 0.000 1.181 557 A CA 1.567 53.699 52.037 0.158 0.000 0.620 557 A CB -0.549 18.535 19.000 0.141 0.000 0.821 557 A HN 0.348 8.498 8.150 0.000 0.000 0.443 558 R N -0.333 120.237 120.500 0.118 0.000 2.082 558 R HA -0.216 4.130 4.340 0.009 0.000 0.234 558 R C 2.309 178.652 176.300 0.073 0.000 1.136 558 R CA 2.195 58.347 56.100 0.087 0.000 0.935 558 R CB -0.440 29.889 30.300 0.048 0.000 0.842 558 R HN 0.614 8.884 8.270 0.000 0.000 0.430 559 Q N -0.927 118.906 119.800 0.055 0.000 2.226 559 Q HA -0.123 4.223 4.340 0.009 0.000 0.204 559 Q C 1.847 177.867 176.000 0.032 0.000 0.975 559 Q CA 1.903 57.731 55.803 0.042 0.000 0.866 559 Q CB 0.172 28.926 28.738 0.027 0.000 0.915 559 Q HN 0.427 8.697 8.270 0.000 0.000 0.440 560 T N -0.110 114.491 114.554 0.079 0.000 2.812 560 T HA -0.040 4.315 4.350 0.009 0.000 0.264 560 T C 1.599 176.324 174.700 0.041 0.000 1.042 560 T CA 1.112 63.269 62.100 0.095 0.000 1.140 560 T CB -0.067 68.937 68.868 0.226 0.000 0.870 560 T HN 0.332 8.572 8.240 0.000 0.000 0.445 561 A N 0.935 123.797 122.820 0.070 0.000 2.206 561 A HA 0.115 4.440 4.320 0.009 0.000 0.211 561 A C 2.228 179.713 177.584 -0.165 0.000 1.158 561 A CA 0.506 52.473 52.037 -0.117 0.000 0.761 561 A CB -0.281 18.622 19.000 -0.160 0.000 0.801 561 A HN 0.326 8.476 8.150 0.000 0.000 0.473 562 R N -0.700 119.741 120.500 -0.099 0.000 2.062 562 R HA -0.043 4.303 4.340 0.009 0.000 0.226 562 R C 2.458 178.577 176.300 -0.302 0.000 1.125 562 R CA 1.029 57.081 56.100 -0.081 0.000 0.966 562 R CB -0.527 29.811 30.300 0.063 0.000 0.861 562 R HN 0.499 8.769 8.270 0.000 0.000 0.433 563 G N 1.400 109.976 108.800 -0.374 0.000 2.514 563 G HA2 -0.271 3.695 3.960 0.009 0.000 0.217 563 G HA3 -0.271 3.695 3.960 0.009 0.000 0.217 563 G C 1.370 175.950 174.900 -0.534 0.000 1.198 563 G CA 0.777 45.558 45.100 -0.532 0.000 0.780 563 G HN 0.076 8.366 8.290 0.000 0.000 0.565 564 M N 0.755 119.986 119.600 -0.616 0.000 2.159 564 M HA -0.008 4.477 4.480 0.009 0.000 0.263 564 M C 1.989 177.627 176.300 -1.103 0.000 1.063 564 M CA 1.064 55.760 55.300 -1.007 0.000 1.110 564 M CB -1.025 30.672 32.600 -1.505 0.000 1.374 564 M HN 0.211 8.501 8.290 0.000 0.000 0.411 565 D N -0.650 119.287 120.400 -0.772 0.000 2.149 565 D HA -0.175 4.470 4.640 0.009 0.000 0.201 565 D C 1.985 178.120 176.300 -0.274 0.000 0.972 565 D CA 0.901 54.654 54.000 -0.412 0.000 0.835 565 D CB -0.148 40.570 40.800 -0.137 0.000 0.966 565 D HN 0.401 8.771 8.370 0.000 0.000 0.476 566 Y N 0.843 120.929 120.300 -0.358 0.000 2.145 566 Y HA -0.148 4.413 4.550 0.019 0.000 0.286 566 Y C 2.122 177.846 175.900 -0.293 0.000 1.145 566 Y CA 1.573 59.521 58.100 -0.254 0.000 1.148 566 Y CB -0.281 38.015 38.460 -0.273 0.000 0.981 566 Y HN -0.039 8.241 8.280 0.000 0.000 0.507 567 L N -0.763 120.309 121.223 -0.252 0.000 2.079 567 L HA -0.290 4.055 4.340 0.009 0.000 0.210 567 L C 2.363 179.026 176.870 -0.346 0.000 1.081 567 L CA 1.870 56.512 54.840 -0.330 0.000 0.752 567 L CB -0.755 41.002 42.059 -0.502 0.000 0.896 567 L HN 0.400 8.630 8.230 0.000 0.000 0.433 568 H N -0.955 117.819 119.070 -0.493 0.000 2.363 568 H HA -0.074 4.488 4.556 0.010 0.000 0.301 568 H C 2.348 177.385 175.328 -0.485 0.000 1.074 568 H CA 0.623 56.268 56.048 -0.672 0.000 1.354 568 H CB 0.113 29.379 29.762 -0.826 0.000 1.397 568 H HN 0.373 8.653 8.280 0.000 0.000 0.516 569 A N 1.164 123.825 122.820 -0.264 0.000 1.986 569 A HA -0.192 4.133 4.320 0.009 0.000 0.220 569 A C 1.910 179.346 177.584 -0.248 0.000 1.171 569 A CA 1.510 53.402 52.037 -0.242 0.000 0.640 569 A CB -0.113 18.715 19.000 -0.286 0.000 0.811 569 A HN 0.186 8.336 8.150 0.000 0.000 0.451 570 K N -0.725 119.482 120.400 -0.322 0.000 2.404 570 K HA 0.185 4.511 4.320 0.009 0.000 0.194 570 K C 0.489 177.038 176.600 -0.084 0.000 1.023 570 K CA 0.704 56.852 56.287 -0.230 0.000 1.094 570 K CB 0.081 32.400 32.500 -0.302 0.000 0.841 570 K HN 0.372 8.622 8.250 0.000 0.000 0.523 571 S N 0.482 116.159 115.700 -0.038 0.000 3.593 571 S HA -0.130 4.346 4.470 0.009 0.000 0.301 571 S C 0.105 174.827 174.600 0.203 0.000 1.209 571 S CA 0.258 58.559 58.200 0.168 0.000 0.878 571 S CB -1.500 61.809 63.200 0.181 0.000 1.000 571 S HN 0.298 8.608 8.310 0.000 0.000 0.578 572 I N 1.921 122.542 120.570 0.085 0.000 2.301 572 I HA 0.298 4.474 4.170 0.009 0.000 0.292 572 I C 0.495 176.706 176.117 0.157 0.000 1.046 572 I CA -0.387 60.956 61.300 0.072 0.000 1.282 572 I CB 0.617 38.577 38.000 -0.068 0.000 1.409 572 I HN 0.157 8.367 8.210 0.000 0.000 0.484 573 I N 5.982 126.714 120.570 0.270 0.000 2.471 573 I HA -0.022 4.153 4.170 0.009 0.000 0.286 573 I C 1.637 177.860 176.117 0.177 0.000 1.079 573 I CA 0.080 61.577 61.300 0.329 0.000 1.398 573 I CB 0.523 38.730 38.000 0.345 0.000 1.403 573 I HN 0.601 8.811 8.210 0.000 0.000 0.530 574 H N 7.531 126.630 119.070 0.049 0.000 2.284 574 H HA 0.027 4.588 4.556 0.008 0.000 0.304 574 H C 1.216 176.583 175.328 0.064 0.000 1.069 574 H CA 2.046 58.094 56.048 0.001 0.000 1.327 574 H CB 0.403 30.117 29.762 -0.080 0.000 1.387 574 H HN 0.696 8.976 8.280 0.000 0.000 0.498 575 R N -1.274 119.483 120.500 0.428 0.000 2.752 575 R HA -0.148 4.198 4.340 0.009 0.000 0.430 575 R C -0.458 176.037 176.300 0.325 0.000 0.397 575 R CA 1.132 57.388 56.100 0.260 0.000 1.419 575 R CB -1.520 28.720 30.300 -0.101 0.000 1.974 575 R HN 0.403 8.673 8.270 0.000 0.000 0.286 576 D N 0.341 121.001 120.400 0.434 0.000 3.404 576 D HA 0.182 4.828 4.640 0.009 0.000 0.329 576 D C -1.106 175.171 176.300 -0.038 0.000 1.421 576 D CA -0.367 53.777 54.000 0.240 0.000 0.742 576 D CB 0.490 41.444 40.800 0.258 0.000 1.290 576 D HN 0.098 8.468 8.370 0.000 0.000 0.600 577 L N 1.839 122.808 121.223 -0.423 0.000 2.426 577 L HA 0.451 4.797 4.340 0.009 0.000 0.271 577 L C -0.329 176.300 176.870 -0.400 0.000 1.169 577 L CA 0.763 55.231 54.840 -0.620 0.000 0.836 577 L CB 0.113 41.874 42.059 -0.497 0.000 1.112 577 L HN 0.218 8.448 8.230 0.000 0.000 0.465 578 K N 0.833 120.924 120.400 -0.515 0.000 2.658 578 K HA 0.273 4.598 4.320 0.009 0.000 0.293 578 K C 0.307 176.621 176.600 -0.476 0.000 1.026 578 K CA -0.162 55.555 56.287 -0.950 0.000 0.871 578 K CB 0.666 32.092 32.500 -1.790 0.000 1.524 578 K HN 0.350 8.600 8.250 0.000 0.000 0.400 579 S N -0.060 115.521 115.700 -0.199 0.000 2.469 579 S HA -0.179 4.296 4.470 0.009 0.000 0.238 579 S C 0.925 175.548 174.600 0.039 0.000 0.998 579 S CA 1.605 59.861 58.200 0.095 0.000 0.957 579 S CB -0.701 62.739 63.200 0.399 0.000 0.764 579 S HN 0.610 8.920 8.310 0.000 0.000 0.514 580 N N 2.706 121.324 118.700 -0.137 0.000 2.300 580 N HA 0.028 4.774 4.740 0.009 0.000 0.179 580 N C 0.562 175.961 175.510 -0.186 0.000 1.016 580 N CA 1.127 54.085 53.050 -0.153 0.000 0.876 580 N CB -0.529 37.759 38.487 -0.330 0.000 0.979 580 N HN 0.664 9.044 8.380 0.000 0.000 0.432 581 N N -0.057 118.444 118.700 -0.332 0.000 2.327 581 N HA 0.264 5.009 4.740 0.009 0.000 0.231 581 N C -0.850 174.196 175.510 -0.774 0.000 1.130 581 N CA -0.044 52.678 53.050 -0.547 0.000 0.845 581 N CB 0.543 38.872 38.487 -0.263 0.000 1.073 581 N HN 0.131 8.511 8.380 0.000 0.000 0.496 582 I N 1.639 121.819 120.570 -0.649 0.000 2.428 582 I HA 0.251 4.427 4.170 0.009 0.000 0.279 582 I C -0.868 175.000 176.117 -0.416 0.000 1.040 582 I CA -0.650 60.366 61.300 -0.474 0.000 1.171 582 I CB 0.340 38.225 38.000 -0.192 0.000 1.312 582 I HN -0.029 8.181 8.210 0.000 0.000 0.470 583 F N 5.913 125.847 119.950 -0.026 0.000 2.410 583 F HA 0.368 4.897 4.527 0.004 0.000 0.348 583 F C 0.359 176.145 175.800 -0.024 0.000 1.106 583 F CA -0.751 57.216 58.000 -0.054 0.000 1.163 583 F CB 0.551 39.485 39.000 -0.109 0.000 1.129 583 F HN 0.188 8.488 8.300 0.000 0.000 0.516 584 L N 4.124 125.420 121.223 0.121 0.000 2.389 584 L HA 0.152 4.498 4.340 0.009 0.000 0.265 584 L C -0.032 176.901 176.870 0.105 0.000 1.167 584 L CA -0.556 54.345 54.840 0.101 0.000 1.045 584 L CB -0.494 41.635 42.059 0.116 0.000 1.351 584 L HN 0.607 8.837 8.230 0.000 0.000 0.419 585 H N 4.637 123.718 119.070 0.017 0.000 3.191 585 H HA -0.030 4.526 4.556 0.001 0.000 0.261 585 H C 0.533 175.868 175.328 0.011 0.000 1.013 585 H CA 0.650 56.688 56.048 -0.016 0.000 1.457 585 H CB 0.073 29.823 29.762 -0.019 0.000 1.535 585 H HN 0.645 8.925 8.280 0.000 0.000 0.518 586 E N 3.089 123.139 120.200 -0.251 0.000 4.047 586 E HA -0.269 4.086 4.350 0.009 0.000 0.340 586 E C -0.517 176.053 176.600 -0.049 0.000 0.720 586 E CA 0.700 56.964 56.400 -0.228 0.000 1.320 586 E CB -1.060 28.394 29.700 -0.410 0.000 1.685 586 E HN 1.021 9.381 8.360 0.000 0.000 0.416 587 D N -1.191 119.236 120.400 0.045 0.000 3.017 587 D HA -0.173 4.472 4.640 0.009 0.000 0.220 587 D C 0.393 176.730 176.300 0.061 0.000 1.141 587 D CA 1.193 55.292 54.000 0.165 0.000 0.848 587 D CB -1.383 39.546 40.800 0.215 0.000 1.102 587 D HN 0.401 8.771 8.370 0.000 0.000 0.427 588 N N -0.684 118.018 118.700 0.003 0.000 2.357 588 N HA -0.020 4.725 4.740 0.009 0.000 0.260 588 N C 0.031 175.533 175.510 -0.014 0.000 1.035 588 N CA 0.575 53.607 53.050 -0.030 0.000 0.839 588 N CB 0.343 38.808 38.487 -0.036 0.000 1.723 588 N HN 0.032 8.412 8.380 0.000 0.000 0.617 589 T N 2.469 117.034 114.554 0.018 0.000 2.738 589 T HA 0.399 4.754 4.350 0.009 0.000 0.298 589 T C 0.408 175.161 174.700 0.088 0.000 0.962 589 T CA -0.352 61.789 62.100 0.069 0.000 0.972 589 T CB 2.001 70.957 68.868 0.146 0.000 0.928 589 T HN -0.194 8.046 8.240 0.000 0.000 0.474 590 V N 5.199 125.143 119.914 0.050 0.000 2.599 590 V HA 0.121 4.246 4.120 0.009 0.000 0.300 590 V C 0.376 176.498 176.094 0.047 0.000 1.034 590 V CA 0.263 62.584 62.300 0.035 0.000 1.115 590 V CB 0.114 31.943 31.823 0.010 0.000 0.934 590 V HN 0.676 8.866 8.190 0.000 0.000 0.485 591 K N 6.033 126.459 120.400 0.044 0.000 2.507 591 K HA 0.538 4.864 4.320 0.009 0.000 0.252 591 K C -0.882 175.699 176.600 -0.031 0.000 0.943 591 K CA -0.417 55.898 56.287 0.047 0.000 0.808 591 K CB 2.333 34.901 32.500 0.113 0.000 1.142 591 K HN 0.475 8.725 8.250 0.000 0.000 0.426 592 I N 2.072 122.618 120.570 -0.039 0.000 2.325 592 I HA 0.369 4.544 4.170 0.009 0.000 0.291 592 I C 0.807 176.974 176.117 0.084 0.000 1.019 592 I CA -0.163 61.093 61.300 -0.073 0.000 1.302 592 I CB 1.479 39.437 38.000 -0.070 0.000 1.401 592 I HN 0.660 8.870 8.210 0.000 0.000 0.485 593 G N 2.922 111.700 108.800 -0.036 0.000 3.086 593 G HA2 0.391 4.356 3.960 0.009 0.000 0.282 593 G HA3 0.391 4.356 3.960 0.009 0.000 0.282 593 G C -0.555 174.366 174.900 0.036 0.000 1.343 593 G CA -0.362 44.808 45.100 0.118 0.000 0.895 593 G HN 0.547 8.837 8.290 0.000 0.000 0.557 594 D N -1.637 118.692 120.400 -0.117 0.000 2.800 594 D HA -0.157 4.488 4.640 0.009 0.000 0.232 594 D C -0.021 176.098 176.300 -0.302 0.000 1.137 594 D CA 1.264 55.080 54.000 -0.308 0.000 0.718 594 D CB -1.633 38.961 40.800 -0.343 0.000 1.084 594 D HN 0.549 8.919 8.370 0.000 0.000 0.432 595 F N -1.378 118.308 119.950 -0.440 0.000 2.461 595 F HA 0.807 5.336 4.527 0.004 0.000 0.332 595 F C 1.323 176.926 175.800 -0.329 0.000 1.073 595 F CA 0.125 57.750 58.000 -0.625 0.000 1.017 595 F CB 0.815 39.281 39.000 -0.889 0.000 1.301 595 F HN 0.253 8.553 8.300 0.000 0.000 0.492 615 G N 1.142 109.977 108.800 0.059 0.000 3.286 615 G HA2 0.543 4.509 3.960 0.009 0.000 0.166 615 G HA3 0.543 4.509 3.960 0.009 0.000 0.166 615 G C -0.680 174.291 174.900 0.118 0.000 1.155 615 G CA 0.203 45.345 45.100 0.069 0.000 0.871 615 G HN 1.179 9.469 8.290 0.000 0.000 0.637 616 S N 0.888 116.686 115.700 0.163 0.000 2.642 616 S HA 0.248 4.724 4.470 0.009 0.000 0.309 616 S C 1.313 176.120 174.600 0.346 0.000 1.125 616 S CA -0.350 58.009 58.200 0.264 0.000 1.055 616 S CB 0.244 63.592 63.200 0.246 0.000 1.157 616 S HN 0.739 9.049 8.310 0.000 0.000 0.513 617 I N 0.456 121.183 120.570 0.261 0.000 2.756 617 I HA -0.018 4.157 4.170 0.009 0.000 0.262 617 I C 1.642 177.904 176.117 0.241 0.000 1.225 617 I CA 0.836 62.263 61.300 0.211 0.000 1.472 617 I CB -0.398 37.667 38.000 0.109 0.000 1.094 617 I HN 0.491 8.701 8.210 0.000 0.000 0.454 618 L N -0.196 121.199 121.223 0.286 0.000 2.191 618 L HA -0.089 4.256 4.340 0.009 0.000 0.212 618 L C 1.706 178.573 176.870 -0.005 0.000 1.103 618 L CA 1.177 56.051 54.840 0.057 0.000 0.769 618 L CB -0.389 41.462 42.059 -0.346 0.000 0.908 618 L HN 0.548 8.778 8.230 0.000 0.000 0.438 619 W N -1.129 120.295 121.300 0.208 0.000 3.239 619 W HA 0.228 4.894 4.660 0.010 0.000 0.368 619 W C 0.458 177.173 176.519 0.326 0.000 1.154 619 W CA -0.612 56.878 57.345 0.242 0.000 1.860 619 W CB 0.219 29.780 29.460 0.168 0.000 1.094 619 W HN 0.047 8.227 8.180 0.000 0.000 0.643 620 M N 1.566 121.415 119.600 0.416 0.000 2.077 620 M HA 0.456 4.941 4.480 0.009 0.000 0.348 620 M C 0.569 176.793 176.300 -0.127 0.000 1.252 620 M CA -0.028 55.390 55.300 0.196 0.000 1.096 620 M CB 0.641 33.327 32.600 0.143 0.000 1.568 620 M HN -0.107 8.183 8.290 0.000 0.000 0.456 621 A N 6.945 129.550 122.820 -0.358 0.000 2.561 621 A HA 0.213 4.539 4.320 0.009 0.000 0.234 621 A C -1.837 175.451 177.584 -0.493 0.000 1.055 621 A CA -0.981 50.522 52.037 -0.891 0.000 0.756 621 A CB -0.555 18.148 19.000 -0.495 0.000 0.986 621 A HN 0.742 8.892 8.150 0.000 0.000 0.505 622 P HA -0.243 4.176 4.420 0.000 0.000 0.217 622 P C 1.359 178.547 177.300 -0.188 0.000 1.151 622 P CA 1.829 64.781 63.100 -0.247 0.000 0.849 622 P CB 0.089 31.676 31.700 -0.187 0.000 0.787 623 E N -0.360 119.723 120.200 -0.196 0.000 2.152 623 E HA -0.080 4.275 4.350 0.009 0.000 0.192 623 E C 1.836 178.321 176.600 -0.192 0.000 0.983 623 E CA 1.189 57.494 56.400 -0.158 0.000 0.818 623 E CB -1.287 28.335 29.700 -0.130 0.000 0.758 623 E HN 0.089 8.449 8.360 0.000 0.000 0.467 624 V N 2.352 122.114 119.914 -0.253 0.000 2.270 624 V HA -0.235 3.891 4.120 0.009 0.000 0.245 624 V C 2.738 178.721 176.094 -0.185 0.000 1.043 624 V CA 1.622 63.727 62.300 -0.325 0.000 1.014 624 V CB -0.559 31.011 31.823 -0.421 0.000 0.645 624 V HN 0.199 8.389 8.190 0.000 0.000 0.447 625 I N -0.271 120.216 120.570 -0.138 0.000 2.236 625 I HA -0.318 3.857 4.170 0.009 0.000 0.249 625 I C 2.695 178.769 176.117 -0.071 0.000 1.102 625 I CA 2.141 63.391 61.300 -0.083 0.000 1.365 625 I CB -0.371 37.576 38.000 -0.089 0.000 1.051 625 I HN 0.356 8.566 8.210 0.000 0.000 0.420 626 R N 0.789 121.236 120.500 -0.088 0.000 2.015 626 R HA 0.103 4.449 4.340 0.009 0.000 0.212 626 R C 0.673 176.934 176.300 -0.065 0.000 1.304 626 R CA 0.433 56.492 56.100 -0.068 0.000 1.040 626 R CB 0.741 30.998 30.300 -0.072 0.000 0.915 626 R HN 0.152 8.422 8.270 0.000 0.000 0.465 627 M N 1.944 121.495 119.600 -0.083 0.000 3.991 627 M HA -0.153 4.333 4.480 0.009 0.000 0.156 627 M C -0.154 176.108 176.300 -0.063 0.000 1.513 627 M CA 0.234 55.486 55.300 -0.080 0.000 1.083 627 M CB -0.495 32.075 32.600 -0.049 0.000 1.406 627 M HN 0.519 8.809 8.290 0.000 0.000 0.208 628 Q N 3.805 123.561 119.800 -0.073 0.000 1.817 628 Q HA -0.132 4.213 4.340 0.009 0.000 0.290 628 Q C -0.508 175.471 176.000 -0.036 0.000 1.048 628 Q CA 3.117 58.887 55.803 -0.054 0.000 0.889 628 Q CB 0.088 28.791 28.738 -0.058 0.000 0.991 628 Q HN 0.727 8.997 8.270 0.000 0.000 0.416 629 D N -2.815 117.568 120.400 -0.027 0.000 3.439 629 D HA 0.022 4.668 4.640 0.009 0.000 0.117 629 D C -0.716 175.576 176.300 -0.014 0.000 0.790 629 D CA 0.846 54.835 54.000 -0.017 0.000 2.011 629 D CB -0.824 39.965 40.800 -0.018 0.000 1.511 629 D HN 0.453 8.823 8.370 0.000 0.000 0.920 630 S N 0.492 116.189 115.700 -0.005 0.000 1.466 630 S HA -0.244 4.232 4.470 0.009 0.000 0.244 630 S C 1.151 175.753 174.600 0.003 0.000 0.723 630 S CA 1.240 59.439 58.200 -0.003 0.000 1.234 630 S CB -0.898 62.295 63.200 -0.011 0.000 1.451 630 S HN 0.563 8.873 8.310 0.000 0.000 0.507 631 N N 2.332 121.029 118.700 -0.006 0.000 2.199 631 N HA 0.235 4.981 4.740 0.009 0.000 0.254 631 N C -1.347 174.177 175.510 0.024 0.000 1.299 631 N CA 0.630 53.686 53.050 0.009 0.000 0.940 631 N CB -0.798 37.680 38.487 -0.015 0.000 1.051 631 N HN 0.441 8.821 8.380 0.000 0.000 0.426 632 P HA 0.063 4.483 4.420 0.000 0.000 0.238 632 P C -0.240 177.017 177.300 -0.072 0.000 1.183 632 P CA 0.397 63.447 63.100 -0.083 0.000 0.813 632 P CB 0.163 31.756 31.700 -0.179 0.000 0.944 633 Y N 2.068 122.392 120.300 0.039 0.000 2.729 633 Y HA 0.123 4.679 4.550 0.009 0.000 0.331 633 Y C 1.534 177.476 175.900 0.070 0.000 1.208 633 Y CA 0.918 59.063 58.100 0.075 0.000 1.521 633 Y CB 0.121 38.634 38.460 0.089 0.000 1.233 633 Y HN 0.134 8.414 8.280 0.000 0.000 0.539 634 S N 2.051 117.901 115.700 0.251 0.000 2.661 634 S HA 0.363 4.839 4.470 0.009 0.000 0.268 634 S C 0.329 175.125 174.600 0.327 0.000 1.162 634 S CA -1.039 57.259 58.200 0.164 0.000 0.817 634 S CB 0.103 63.306 63.200 0.005 0.000 1.141 634 S HN 0.541 8.851 8.310 0.000 0.000 0.477 635 F N 1.172 121.157 119.950 0.059 0.000 2.192 635 F HA -0.240 4.294 4.527 0.012 0.000 0.301 635 F C 2.675 178.591 175.800 0.193 0.000 1.079 635 F CA 1.493 59.485 58.000 -0.014 0.000 1.303 635 F CB -0.289 38.449 39.000 -0.437 0.000 1.024 635 F HN 0.577 8.877 8.300 0.000 0.000 0.494 636 Q N 0.117 120.094 119.800 0.294 0.000 2.079 636 Q HA -0.132 4.213 4.340 0.009 0.000 0.200 636 Q C 2.271 178.418 176.000 0.245 0.000 0.974 636 Q CA 1.641 57.573 55.803 0.215 0.000 0.840 636 Q CB -0.449 28.357 28.738 0.114 0.000 0.898 636 Q HN 0.142 8.412 8.270 0.000 0.000 0.430 637 S N 0.982 116.820 115.700 0.231 0.000 2.383 637 S HA -0.194 4.281 4.470 0.009 0.000 0.229 637 S C 1.270 176.074 174.600 0.339 0.000 1.030 637 S CA 1.533 59.870 58.200 0.228 0.000 1.002 637 S CB -0.362 62.953 63.200 0.191 0.000 0.829 637 S HN 0.351 8.661 8.310 0.000 0.000 0.467 638 D N 0.711 121.356 120.400 0.408 0.000 2.144 638 D HA -0.061 4.584 4.640 0.009 0.000 0.199 638 D C 1.873 178.465 176.300 0.487 0.000 0.984 638 D CA 0.637 54.899 54.000 0.436 0.000 0.834 638 D CB -0.263 40.838 40.800 0.502 0.000 0.955 638 D HN 0.188 8.558 8.370 0.000 0.000 0.465 639 V N 0.050 120.229 119.914 0.440 0.000 2.427 639 V HA -0.243 3.883 4.120 0.009 0.000 0.248 639 V C 2.022 178.302 176.094 0.310 0.000 1.051 639 V CA 1.388 63.849 62.300 0.267 0.000 1.048 639 V CB -0.639 31.220 31.823 0.060 0.000 0.666 639 V HN 0.281 8.471 8.190 0.000 0.000 0.456 640 Y N 1.293 121.706 120.300 0.188 0.000 2.200 640 Y HA -0.135 4.420 4.550 0.009 0.000 0.290 640 Y C 2.428 178.447 175.900 0.198 0.000 1.137 640 Y CA 1.452 59.647 58.100 0.158 0.000 1.163 640 Y CB -0.438 38.092 38.460 0.117 0.000 0.988 640 Y HN 0.147 8.427 8.280 0.000 0.000 0.518 641 A N 0.709 123.820 122.820 0.486 0.000 1.896 641 A HA -0.349 3.976 4.320 0.009 0.000 0.220 641 A C 2.176 179.950 177.584 0.317 0.000 1.206 641 A CA 2.178 54.465 52.037 0.418 0.000 0.647 641 A CB -1.789 17.424 19.000 0.355 0.000 0.828 641 A HN 0.713 8.863 8.150 0.000 0.000 0.455 642 F N 1.111 121.187 119.950 0.209 0.000 2.202 642 F HA -0.031 4.501 4.527 0.008 0.000 0.301 642 F C 2.263 178.115 175.800 0.088 0.000 1.082 642 F CA 1.494 59.600 58.000 0.177 0.000 1.313 642 F CB -0.634 38.522 39.000 0.261 0.000 1.024 642 F HN 0.201 8.501 8.300 0.000 0.000 0.495 643 G N 1.069 109.850 108.800 -0.032 0.000 2.440 643 G HA2 -0.240 3.725 3.960 0.009 0.000 0.218 643 G HA3 -0.240 3.725 3.960 0.009 0.000 0.218 643 G C 1.588 176.335 174.900 -0.256 0.000 1.154 643 G CA 1.096 46.082 45.100 -0.189 0.000 0.767 643 G HN 0.355 8.645 8.290 0.000 0.000 0.552 644 I N 1.045 121.466 120.570 -0.248 0.000 2.315 644 I HA -0.085 4.090 4.170 0.009 0.000 0.248 644 I C 2.941 179.001 176.117 -0.094 0.000 1.117 644 I CA 0.499 61.645 61.300 -0.257 0.000 1.404 644 I CB -1.198 36.593 38.000 -0.347 0.000 1.071 644 I HN 0.033 8.243 8.210 0.000 0.000 0.419 645 V N 0.932 120.851 119.914 0.009 0.000 2.407 645 V HA -0.251 3.874 4.120 0.009 0.000 0.248 645 V C 2.627 178.624 176.094 -0.162 0.000 1.055 645 V CA 1.409 63.713 62.300 0.007 0.000 1.049 645 V CB -0.531 31.235 31.823 -0.096 0.000 0.662 645 V HN 0.331 8.521 8.190 0.000 0.000 0.455 646 L N -1.433 119.581 121.223 -0.350 0.000 2.046 646 L HA -0.224 4.121 4.340 0.009 0.000 0.208 646 L C 2.436 179.241 176.870 -0.109 0.000 1.077 646 L CA 2.092 56.772 54.840 -0.267 0.000 0.747 646 L CB -0.549 41.345 42.059 -0.275 0.000 0.896 646 L HN 0.427 8.657 8.230 0.000 0.000 0.432 647 Y N 0.927 121.107 120.300 -0.199 0.000 2.114 647 Y HA -0.303 4.252 4.550 0.008 0.000 0.284 647 Y C 2.575 178.401 175.900 -0.124 0.000 1.143 647 Y CA 1.880 59.877 58.100 -0.172 0.000 1.135 647 Y CB -0.050 38.269 38.460 -0.236 0.000 0.980 647 Y HN 0.145 8.425 8.280 0.000 0.000 0.499 648 E N 0.234 120.528 120.200 0.156 0.000 2.049 648 E HA -0.288 4.068 4.350 0.009 0.000 0.198 648 E C 2.197 178.811 176.600 0.023 0.000 1.007 648 E CA 1.907 58.387 56.400 0.134 0.000 0.809 648 E CB -0.427 29.398 29.700 0.208 0.000 0.749 648 E HN 0.512 8.872 8.360 0.000 0.000 0.450 649 L N 0.127 121.345 121.223 -0.008 0.000 2.017 649 L HA -0.179 4.167 4.340 0.009 0.000 0.208 649 L C 2.349 179.186 176.870 -0.054 0.000 1.073 649 L CA 0.940 55.768 54.840 -0.019 0.000 0.745 649 L CB -0.145 41.893 42.059 -0.035 0.000 0.894 649 L HN 0.216 8.446 8.230 0.000 0.000 0.432 650 M N -1.277 118.257 119.600 -0.110 0.000 2.494 650 M HA 0.073 4.558 4.480 0.009 0.000 0.232 650 M C 1.464 177.630 176.300 -0.223 0.000 1.137 650 M CA 0.759 55.976 55.300 -0.137 0.000 1.012 650 M CB -0.549 31.975 32.600 -0.128 0.000 1.567 650 M HN 0.388 8.678 8.290 0.000 0.000 0.486 651 T N -4.817 109.564 114.554 -0.289 0.000 3.016 651 T HA 0.299 4.655 4.350 0.009 0.000 0.271 651 T C 1.237 175.837 174.700 -0.167 0.000 0.968 651 T CA 0.575 62.480 62.100 -0.326 0.000 0.891 651 T CB 0.235 68.686 68.868 -0.696 0.000 1.149 651 T HN 0.462 8.702 8.240 0.000 0.000 0.524 652 G N 1.480 110.227 108.800 -0.089 0.000 2.341 652 G HA2 -0.206 3.759 3.960 0.009 0.000 0.292 652 G HA3 -0.206 3.759 3.960 0.009 0.000 0.292 652 G C -0.320 174.614 174.900 0.057 0.000 1.021 652 G CA 0.531 45.621 45.100 -0.017 0.000 0.905 652 G HN 0.801 9.091 8.290 0.000 0.000 0.508 653 Q N -1.457 118.403 119.800 0.100 0.000 2.386 653 Q HA 0.392 4.737 4.340 0.009 0.000 0.274 653 Q C -0.158 175.917 176.000 0.126 0.000 1.011 653 Q CA -0.912 54.953 55.803 0.102 0.000 0.867 653 Q CB 1.712 30.468 28.738 0.031 0.000 1.409 653 Q HN 0.272 8.542 8.270 0.000 0.000 0.395 654 L N 4.295 125.452 121.223 -0.110 0.000 2.416 654 L HA 0.339 4.684 4.340 0.009 0.000 0.272 654 L C -1.926 174.804 176.870 -0.233 0.000 1.161 654 L CA -1.352 53.356 54.840 -0.221 0.000 0.845 654 L CB 0.097 41.972 42.059 -0.306 0.000 1.119 654 L HN 0.328 8.558 8.230 0.000 0.000 0.464 655 P HA 0.100 4.520 4.420 0.000 0.000 0.276 655 P C -0.910 175.907 177.300 -0.805 0.000 1.252 655 P CA -0.227 62.298 63.100 -0.958 0.000 0.802 655 P CB 0.425 31.065 31.700 -1.768 0.000 1.035 656 Y N -1.763 118.416 120.300 -0.201 0.000 4.177 656 Y HA -0.255 4.300 4.550 0.009 0.000 0.227 656 Y C 1.679 177.530 175.900 -0.082 0.000 1.154 656 Y CA 0.793 58.821 58.100 -0.120 0.000 1.887 656 Y CB -3.379 35.010 38.460 -0.119 0.000 1.594 656 Y HN 0.302 8.582 8.280 0.000 0.000 0.668 657 S N -1.262 114.416 115.700 -0.036 0.000 2.382 657 S HA -0.217 4.258 4.470 0.009 0.000 0.228 657 S C 1.712 176.316 174.600 0.007 0.000 1.027 657 S CA 1.486 59.671 58.200 -0.025 0.000 0.991 657 S CB -0.224 62.949 63.200 -0.044 0.000 0.823 657 S HN 0.629 8.939 8.310 0.000 0.000 0.469 658 N N 0.999 119.709 118.700 0.017 0.000 2.250 658 N HA 0.179 4.925 4.740 0.009 0.000 0.181 658 N C 0.092 175.620 175.510 0.030 0.000 1.017 658 N CA 0.498 53.560 53.050 0.021 0.000 0.866 658 N CB -0.257 38.242 38.487 0.019 0.000 0.985 658 N HN 0.394 8.774 8.380 0.000 0.000 0.429 659 I N 1.354 121.955 120.570 0.051 0.000 2.243 659 I HA 0.054 4.229 4.170 0.009 0.000 0.297 659 I C -0.152 175.990 176.117 0.042 0.000 1.161 659 I CA -0.213 61.113 61.300 0.044 0.000 1.298 659 I CB -0.108 37.923 38.000 0.051 0.000 1.475 659 I HN 0.051 8.261 8.210 0.000 0.000 0.561 660 N N 5.828 124.544 118.700 0.026 0.000 2.949 660 N HA 0.186 4.931 4.740 0.009 0.000 0.243 660 N C -0.949 174.569 175.510 0.015 0.000 1.113 660 N CA -0.116 52.949 53.050 0.026 0.000 0.980 660 N CB 0.248 38.749 38.487 0.023 0.000 1.256 660 N HN 0.432 8.812 8.380 0.000 0.000 0.508 661 N N 2.219 120.923 118.700 0.006 0.000 2.697 661 N HA 0.143 4.888 4.740 0.009 0.000 0.271 661 N C 0.245 175.744 175.510 -0.020 0.000 1.149 661 N CA -0.279 52.767 53.050 -0.006 0.000 0.939 661 N CB 0.925 39.404 38.487 -0.013 0.000 1.534 661 N HN 0.302 8.682 8.380 0.000 0.000 0.556 662 R N 1.501 121.997 120.500 -0.007 0.000 2.066 662 R HA -0.082 4.263 4.340 0.009 0.000 0.232 662 R C 0.434 176.716 176.300 -0.029 0.000 1.131 662 R CA 1.360 57.454 56.100 -0.009 0.000 0.955 662 R CB -0.123 30.183 30.300 0.011 0.000 0.851 662 R HN 0.557 8.827 8.270 0.000 0.000 0.432 663 D N 0.827 121.213 120.400 -0.023 0.000 2.088 663 D HA -0.180 4.465 4.640 0.009 0.000 0.191 663 D C 1.947 178.218 176.300 -0.048 0.000 0.992 663 D CA 1.110 55.093 54.000 -0.029 0.000 0.831 663 D CB -0.406 40.382 40.800 -0.020 0.000 0.973 663 D HN 0.179 8.549 8.370 0.000 0.000 0.447 664 Q N -0.204 119.567 119.800 -0.049 0.000 2.124 664 Q HA -0.233 4.112 4.340 0.009 0.000 0.215 664 Q C 2.327 178.260 176.000 -0.112 0.000 1.015 664 Q CA 1.680 57.442 55.803 -0.067 0.000 0.890 664 Q CB -0.270 28.434 28.738 -0.058 0.000 0.966 664 Q HN 0.380 8.650 8.270 0.000 0.000 0.412 665 I N -0.383 120.100 120.570 -0.146 0.000 2.286 665 I HA -0.252 3.923 4.170 0.009 0.000 0.245 665 I C 2.130 178.131 176.117 -0.194 0.000 1.104 665 I CA 0.759 61.907 61.300 -0.254 0.000 1.397 665 I CB -0.207 37.603 38.000 -0.317 0.000 1.072 665 I HN 0.252 8.462 8.210 0.000 0.000 0.417 666 I N 1.045 121.545 120.570 -0.116 0.000 2.179 666 I HA -0.308 3.867 4.170 0.009 0.000 0.242 666 I C 2.672 178.740 176.117 -0.082 0.000 1.088 666 I CA 1.821 63.072 61.300 -0.082 0.000 1.357 666 I CB -0.287 37.686 38.000 -0.045 0.000 1.051 666 I HN 0.303 8.513 8.210 0.000 0.000 0.409 667 E N 1.145 121.300 120.200 -0.075 0.000 2.107 667 E HA -0.203 4.153 4.350 0.009 0.000 0.191 667 E C 2.224 178.779 176.600 -0.074 0.000 0.982 667 E CA 1.320 57.682 56.400 -0.064 0.000 0.809 667 E CB -0.115 29.555 29.700 -0.050 0.000 0.756 667 E HN 0.398 8.758 8.360 0.000 0.000 0.459 668 M N 0.074 119.616 119.600 -0.097 0.000 2.435 668 M HA 0.011 4.496 4.480 0.009 0.000 0.265 668 M C 1.926 178.162 176.300 -0.105 0.000 1.104 668 M CA 0.469 55.711 55.300 -0.097 0.000 1.140 668 M CB 0.564 33.097 32.600 -0.111 0.000 1.372 668 M HN 0.077 8.367 8.290 0.000 0.000 0.456 669 V N -0.276 119.554 119.914 -0.140 0.000 2.649 669 V HA -0.006 4.119 4.120 0.009 0.000 0.248 669 V C 2.466 178.503 176.094 -0.095 0.000 1.054 669 V CA 1.789 64.017 62.300 -0.119 0.000 1.073 669 V CB -0.954 30.774 31.823 -0.157 0.000 0.699 669 V HN 0.555 8.745 8.190 0.000 0.000 0.463 670 G N 1.173 109.914 108.800 -0.097 0.000 2.448 670 G HA2 -0.195 3.770 3.960 0.009 0.000 0.218 670 G HA3 -0.195 3.770 3.960 0.009 0.000 0.218 670 G C 1.550 176.409 174.900 -0.068 0.000 1.135 670 G CA 0.607 45.654 45.100 -0.089 0.000 0.784 670 G HN 0.604 8.894 8.290 0.000 0.000 0.543 671 R N -0.042 120.422 120.500 -0.059 0.000 2.310 671 R HA 0.304 4.650 4.340 0.009 0.000 0.202 671 R C 1.312 177.591 176.300 -0.036 0.000 0.933 671 R CA 0.760 56.834 56.100 -0.044 0.000 1.054 671 R CB -0.228 30.048 30.300 -0.040 0.000 0.985 671 R HN 0.396 8.666 8.270 0.000 0.000 0.489 672 G N 1.011 109.789 108.800 -0.036 0.000 2.165 672 G HA2 -0.291 3.674 3.960 0.009 0.000 0.226 672 G HA3 -0.291 3.674 3.960 0.009 0.000 0.226 672 G C 0.388 175.283 174.900 -0.008 0.000 1.035 672 G CA 0.352 45.441 45.100 -0.019 0.000 0.744 672 G HN 0.557 8.847 8.290 0.000 0.000 0.501 673 S N -1.607 114.084 115.700 -0.015 0.000 2.787 673 S HA 0.585 5.061 4.470 0.009 0.000 0.255 673 S C 0.291 174.888 174.600 -0.005 0.000 1.051 673 S CA 0.013 58.208 58.200 -0.010 0.000 1.124 673 S CB 0.640 63.830 63.200 -0.017 0.000 1.104 673 S HN 0.914 9.224 8.310 0.000 0.000 0.623 674 L N 2.825 124.042 121.223 -0.010 0.000 2.409 674 L HA 0.726 5.071 4.340 0.009 0.000 0.272 674 L C -1.269 175.648 176.870 0.079 0.000 0.980 674 L CA -0.170 54.677 54.840 0.011 0.000 0.826 674 L CB 2.094 44.101 42.059 -0.086 0.000 1.268 674 L HN 0.490 8.720 8.230 0.000 0.000 0.407 675 S N 3.421 119.211 115.700 0.149 0.000 2.618 675 S HA 0.755 5.231 4.470 0.009 0.000 0.277 675 S C -2.935 171.746 174.600 0.136 0.000 1.138 675 S CA -1.332 56.977 58.200 0.181 0.000 0.844 675 S CB 1.706 64.976 63.200 0.118 0.000 1.127 675 S HN 0.382 8.692 8.310 0.000 0.000 0.474 676 P HA 0.220 4.640 4.420 0.000 0.000 0.267 676 P C -1.054 176.229 177.300 -0.029 0.000 1.200 676 P CA 0.085 63.018 63.100 -0.279 0.000 0.772 676 P CB 0.211 31.570 31.700 -0.568 0.000 0.855 677 D N 2.336 122.746 120.400 0.017 0.000 2.339 677 D HA 0.068 4.713 4.640 0.009 0.000 0.241 677 D C 0.557 176.982 176.300 0.209 0.000 1.183 677 D CA -0.019 54.045 54.000 0.107 0.000 0.859 677 D CB 0.256 41.099 40.800 0.072 0.000 1.067 677 D HN 0.245 8.615 8.370 0.000 0.000 0.484 678 L N 2.787 124.075 121.223 0.109 0.000 2.611 678 L HA 0.048 4.393 4.340 0.009 0.000 0.229 678 L C 1.915 178.768 176.870 -0.028 0.000 1.137 678 L CA -0.013 54.849 54.840 0.036 0.000 0.901 678 L CB -0.287 41.788 42.059 0.027 0.000 1.098 678 L HN 0.307 8.537 8.230 0.000 0.000 0.456 679 S N -1.007 114.686 115.700 -0.012 0.000 2.528 679 S HA -0.007 4.468 4.470 0.009 0.000 0.219 679 S C 1.571 176.140 174.600 -0.052 0.000 0.985 679 S CA 0.061 58.245 58.200 -0.027 0.000 0.914 679 S CB 0.029 63.224 63.200 -0.009 0.000 0.776 679 S HN 0.371 8.681 8.310 0.000 0.000 0.526 680 K N 1.781 122.135 120.400 -0.076 0.000 2.404 680 K HA 0.220 4.545 4.320 0.009 0.000 0.194 680 K C 0.408 176.891 176.600 -0.195 0.000 1.023 680 K CA 0.124 56.345 56.287 -0.111 0.000 1.094 680 K CB 0.611 33.064 32.500 -0.078 0.000 0.841 680 K HN 0.508 8.758 8.250 0.000 0.000 0.523 681 V N 0.566 120.348 119.914 -0.220 0.000 2.599 681 V HA 0.088 4.214 4.120 0.009 0.000 0.300 681 V C -0.002 176.014 176.094 -0.130 0.000 1.034 681 V CA -0.809 61.362 62.300 -0.214 0.000 1.115 681 V CB 0.319 32.032 31.823 -0.184 0.000 0.934 681 V HN 0.148 8.338 8.190 0.000 0.000 0.485 682 R N 4.077 124.508 120.500 -0.115 0.000 2.537 682 R HA 0.087 4.433 4.340 0.009 0.000 0.281 682 R C 1.848 178.112 176.300 -0.061 0.000 0.988 682 R CA 0.724 56.778 56.100 -0.076 0.000 1.077 682 R CB 0.359 30.621 30.300 -0.062 0.000 0.932 682 R HN 1.110 9.380 8.270 0.000 0.000 0.409 683 S N 1.818 117.490 115.700 -0.047 0.000 2.484 683 S HA -0.201 4.274 4.470 0.009 0.000 0.250 683 S C 1.083 175.664 174.600 -0.032 0.000 0.995 683 S CA 1.436 59.613 58.200 -0.037 0.000 0.967 683 S CB -0.304 62.878 63.200 -0.029 0.000 0.752 683 S HN 0.817 9.127 8.310 0.000 0.000 0.517 684 N N 0.347 119.028 118.700 -0.032 0.000 2.214 684 N HA 0.099 4.845 4.740 0.009 0.000 0.214 684 N C 0.167 175.662 175.510 -0.025 0.000 1.132 684 N CA -0.307 52.728 53.050 -0.025 0.000 0.856 684 N CB -0.948 37.527 38.487 -0.019 0.000 1.020 684 N HN 0.425 8.805 8.380 0.000 0.000 0.509 685 C N 2.915 122.195 119.300 -0.035 0.000 2.642 685 C HA 0.294 4.759 4.460 0.009 0.000 0.420 685 C C -1.738 173.237 174.990 -0.025 0.000 1.349 685 C CA -1.108 57.889 59.018 -0.034 0.000 1.821 685 C CB -0.273 27.436 27.740 -0.052 0.000 2.637 685 C HN 0.395 8.625 8.230 0.000 0.000 0.605 686 P HA 0.120 4.540 4.420 0.000 0.000 0.268 686 P C 0.178 177.470 177.300 -0.012 0.000 1.208 686 P CA 0.125 63.219 63.100 -0.011 0.000 0.777 686 P CB 0.428 32.125 31.700 -0.005 0.000 0.875 687 K N 1.431 121.825 120.400 -0.009 0.000 2.418 687 K HA 0.034 4.359 4.320 0.009 0.000 0.195 687 K C 1.811 178.409 176.600 -0.003 0.000 1.035 687 K CA 0.504 56.786 56.287 -0.008 0.000 1.003 687 K CB 0.134 32.630 32.500 -0.007 0.000 0.793 687 K HN 0.366 8.616 8.250 0.000 0.000 0.494 688 R N -0.094 120.406 120.500 0.000 0.000 2.090 688 R HA -0.016 4.330 4.340 0.009 0.000 0.228 688 R C 2.025 178.332 176.300 0.011 0.000 1.110 688 R CA 0.794 56.897 56.100 0.006 0.000 0.973 688 R CB -0.188 30.116 30.300 0.008 0.000 0.869 688 R HN 0.091 8.361 8.270 0.000 0.000 0.440 689 M N 1.132 120.737 119.600 0.009 0.000 2.349 689 M HA -0.007 4.478 4.480 0.009 0.000 0.266 689 M C 1.794 178.098 176.300 0.006 0.000 1.076 689 M CA 1.521 56.830 55.300 0.015 0.000 1.126 689 M CB -0.119 32.486 32.600 0.008 0.000 1.392 689 M HN -0.175 8.115 8.290 0.000 0.000 0.440 690 K N -0.633 119.762 120.400 -0.007 0.000 2.155 690 K HA -0.049 4.276 4.320 0.009 0.000 0.203 690 K C 2.107 178.706 176.600 -0.003 0.000 1.052 690 K CA 0.927 57.205 56.287 -0.016 0.000 0.948 690 K CB 0.115 32.600 32.500 -0.024 0.000 0.728 690 K HN 0.359 8.609 8.250 0.000 0.000 0.448 691 R N 0.241 120.743 120.500 0.003 0.000 2.100 691 R HA -0.042 4.304 4.340 0.009 0.000 0.220 691 R C 2.317 178.625 176.300 0.015 0.000 1.091 691 R CA 0.414 56.519 56.100 0.008 0.000 0.986 691 R CB -0.252 30.051 30.300 0.006 0.000 0.888 691 R HN 0.068 8.338 8.270 0.000 0.000 0.444 692 L N 1.346 122.582 121.223 0.022 0.000 2.013 692 L HA -0.247 4.098 4.340 0.009 0.000 0.212 692 L C 2.309 179.210 176.870 0.051 0.000 1.073 692 L CA 1.805 56.668 54.840 0.038 0.000 0.753 692 L CB -0.398 41.695 42.059 0.058 0.000 0.890 692 L HN 0.180 8.411 8.230 0.000 0.000 0.432 693 M N -0.834 118.789 119.600 0.039 0.000 2.115 693 M HA -0.269 4.217 4.480 0.009 0.000 0.258 693 M C 2.128 178.435 176.300 0.013 0.000 1.071 693 M CA 2.579 57.892 55.300 0.021 0.000 1.100 693 M CB -0.343 32.252 32.600 -0.008 0.000 1.292 693 M HN 0.374 8.664 8.290 0.000 0.000 0.415 694 A N -0.129 122.698 122.820 0.011 0.000 2.178 694 A HA -0.141 4.185 4.320 0.009 0.000 0.218 694 A C 1.773 179.369 177.584 0.020 0.000 1.157 694 A CA 1.509 53.554 52.037 0.012 0.000 0.689 694 A CB -0.683 18.326 19.000 0.015 0.000 0.787 694 A HN 0.664 8.814 8.150 0.000 0.000 0.465 695 E N -0.476 119.737 120.200 0.021 0.000 2.046 695 E HA -0.132 4.223 4.350 0.009 0.000 0.190 695 E C 2.136 178.755 176.600 0.032 0.000 0.982 695 E CA 1.315 57.729 56.400 0.023 0.000 0.800 695 E CB -0.720 28.987 29.700 0.012 0.000 0.756 695 E HN 0.638 8.998 8.360 0.000 0.000 0.449 696 C N 0.900 120.221 119.300 0.035 0.000 2.435 696 C HA -0.036 4.430 4.460 0.009 0.000 0.279 696 C C 2.414 177.435 174.990 0.052 0.000 1.321 696 C CA 0.274 59.323 59.018 0.052 0.000 1.752 696 C CB -0.965 26.840 27.740 0.109 0.000 1.959 696 C HN 0.309 8.539 8.230 0.000 0.000 0.500 697 L N 0.595 121.809 121.223 -0.014 0.000 2.660 697 L HA 0.062 4.407 4.340 0.009 0.000 0.238 697 L C 0.847 177.815 176.870 0.164 0.000 1.161 697 L CA 0.427 55.225 54.840 -0.070 0.000 0.937 697 L CB -0.694 41.277 42.059 -0.146 0.000 1.122 697 L HN 0.297 8.527 8.230 0.000 0.000 0.435 698 K N 1.205 121.702 120.400 0.163 0.000 2.350 698 K HA 0.060 4.385 4.320 0.009 0.000 0.279 698 K C 0.764 177.465 176.600 0.169 0.000 1.027 698 K CA 0.027 56.395 56.287 0.136 0.000 0.969 698 K CB 1.399 33.950 32.500 0.084 0.000 0.954 698 K HN 0.158 8.408 8.250 0.000 0.000 0.474 699 K N 2.087 122.556 120.400 0.116 0.000 2.116 699 K HA -0.070 4.255 4.320 0.009 0.000 0.203 699 K C 0.151 176.764 176.600 0.021 0.000 1.052 699 K CA 1.048 57.375 56.287 0.067 0.000 0.952 699 K CB 0.039 32.566 32.500 0.045 0.000 0.729 699 K HN 0.310 8.560 8.250 0.000 0.000 0.446 700 K N 1.866 122.282 120.400 0.027 0.000 2.416 700 K HA -0.014 4.312 4.320 0.009 0.000 0.283 700 K C 1.118 177.733 176.600 0.026 0.000 1.037 700 K CA -0.025 56.271 56.287 0.014 0.000 0.995 700 K CB 0.745 33.254 32.500 0.015 0.000 0.938 700 K HN 0.191 8.441 8.250 0.000 0.000 0.475 701 R N 2.469 122.976 120.500 0.012 0.000 2.093 701 R HA -0.088 4.258 4.340 0.009 0.000 0.224 701 R C 0.094 176.412 176.300 0.030 0.000 1.101 701 R CA 1.328 57.443 56.100 0.024 0.000 0.979 701 R CB 0.082 30.384 30.300 0.003 0.000 0.877 701 R HN 0.522 8.792 8.270 0.000 0.000 0.441 702 D N 1.072 121.481 120.400 0.015 0.000 2.354 702 D HA -0.026 4.619 4.640 0.009 0.000 0.209 702 D C 1.096 177.404 176.300 0.013 0.000 1.015 702 D CA 0.433 54.441 54.000 0.012 0.000 0.867 702 D CB 0.186 40.987 40.800 0.001 0.000 0.933 702 D HN 0.480 8.850 8.370 0.000 0.000 0.520 703 E N 0.830 121.039 120.200 0.016 0.000 2.409 703 E HA -0.048 4.308 4.350 0.009 0.000 0.198 703 E C 0.694 177.306 176.600 0.021 0.000 1.024 703 E CA 0.355 56.765 56.400 0.018 0.000 0.861 703 E CB 0.229 29.942 29.700 0.020 0.000 0.788 703 E HN 0.195 8.555 8.360 0.000 0.000 0.521 704 R N 1.903 122.421 120.500 0.030 0.000 2.641 704 R HA 0.108 4.454 4.340 0.009 0.000 0.269 704 R C -2.158 174.142 176.300 -0.000 0.000 1.074 704 R CA -1.328 54.790 56.100 0.029 0.000 1.133 704 R CB 0.002 30.337 30.300 0.057 0.000 1.029 704 R HN -0.017 8.253 8.270 0.000 0.000 0.488 705 P HA 0.050 4.470 4.420 0.000 0.000 0.284 705 P C -0.720 176.509 177.300 -0.119 0.000 1.253 705 P CA -0.364 62.694 63.100 -0.071 0.000 0.800 705 P CB 1.531 33.173 31.700 -0.097 0.000 0.961 706 S N 1.705 117.358 115.700 -0.078 0.000 2.713 706 S HA 0.351 4.826 4.470 0.009 0.000 0.277 706 S C 0.835 175.369 174.600 -0.110 0.000 1.168 706 S CA -0.366 57.804 58.200 -0.051 0.000 0.994 706 S CB 0.213 63.445 63.200 0.053 0.000 1.054 706 S HN 0.217 8.527 8.310 0.000 0.000 0.555 707 F N 1.393 121.342 119.950 -0.001 0.000 2.219 707 F HA 0.264 4.798 4.527 0.012 0.000 0.294 707 F C -0.957 174.801 175.800 -0.071 0.000 1.086 707 F CA 0.124 58.092 58.000 -0.053 0.000 1.330 707 F CB -1.626 37.356 39.000 -0.031 0.000 1.047 707 F HN 0.437 8.737 8.300 0.000 0.000 0.495 708 P HA -0.278 4.142 4.420 0.000 0.000 0.218 708 P C 1.284 178.599 177.300 0.025 0.000 1.165 708 P CA 2.567 65.702 63.100 0.058 0.000 0.922 708 P CB -0.263 31.460 31.700 0.039 0.000 0.794 709 R N -0.422 120.077 120.500 -0.001 0.000 2.148 709 R HA -0.015 4.330 4.340 0.009 0.000 0.227 709 R C 2.165 178.437 176.300 -0.047 0.000 1.103 709 R CA 1.313 57.401 56.100 -0.020 0.000 0.983 709 R CB -1.332 28.954 30.300 -0.022 0.000 0.874 709 R HN 0.176 8.446 8.270 0.000 0.000 0.451 710 I N 0.958 121.467 120.570 -0.102 0.000 2.286 710 I HA -0.220 3.955 4.170 0.009 0.000 0.248 710 I C 2.143 178.215 176.117 -0.075 0.000 1.115 710 I CA 0.815 62.017 61.300 -0.163 0.000 1.392 710 I CB -0.159 37.570 38.000 -0.452 0.000 1.065 710 I HN 0.211 8.421 8.210 0.000 0.000 0.418 711 L N 0.647 121.864 121.223 -0.010 0.000 2.313 711 L HA 0.073 4.418 4.340 0.009 0.000 0.214 711 L C 2.334 179.212 176.870 0.014 0.000 1.119 711 L CA 1.425 56.275 54.840 0.018 0.000 0.809 711 L CB -0.623 41.465 42.059 0.047 0.000 0.933 711 L HN 0.124 8.354 8.230 0.000 0.000 0.449 712 A N -0.610 122.214 122.820 0.008 0.000 1.824 712 A HA -0.169 4.156 4.320 0.009 0.000 0.215 712 A C 2.149 179.738 177.584 0.008 0.000 1.209 712 A CA 1.454 53.495 52.037 0.008 0.000 0.614 712 A CB -0.904 18.098 19.000 0.004 0.000 0.852 712 A HN 0.398 8.548 8.150 0.000 0.000 0.447 713 E N -0.108 120.094 120.200 0.003 0.000 2.136 713 E HA -0.243 4.112 4.350 0.009 0.000 0.208 713 E C 1.938 178.549 176.600 0.019 0.000 1.035 713 E CA 1.829 58.235 56.400 0.009 0.000 0.838 713 E CB -0.456 29.248 29.700 0.007 0.000 0.748 713 E HN 0.673 9.033 8.360 0.000 0.000 0.459 714 I N 0.388 120.974 120.570 0.027 0.000 2.163 714 I HA -0.234 3.941 4.170 0.009 0.000 0.240 714 I C 2.453 178.590 176.117 0.033 0.000 1.081 714 I CA 1.143 62.469 61.300 0.044 0.000 1.353 714 I CB -0.247 37.794 38.000 0.069 0.000 1.054 714 I HN 0.067 8.277 8.210 0.000 0.000 0.407 715 E N 0.300 120.516 120.200 0.027 0.000 2.106 715 E HA -0.238 4.118 4.350 0.009 0.000 0.192 715 E C 2.051 178.660 176.600 0.016 0.000 0.984 715 E CA 0.859 57.272 56.400 0.022 0.000 0.806 715 E CB 0.004 29.717 29.700 0.021 0.000 0.750 715 E HN 0.359 8.719 8.360 0.000 0.000 0.458 716 E N 0.609 120.817 120.200 0.015 0.000 2.427 716 E HA -0.124 4.231 4.350 0.009 0.000 0.196 716 E C 1.904 178.511 176.600 0.010 0.000 1.028 716 E CA 0.366 56.773 56.400 0.011 0.000 0.864 716 E CB 0.249 29.955 29.700 0.010 0.000 0.813 716 E HN 0.212 8.572 8.360 0.000 0.000 0.514 717 L N -2.644 118.587 121.223 0.013 0.000 2.463 717 L HA 0.413 4.758 4.340 0.009 0.000 0.219 717 L C 2.180 179.056 176.870 0.010 0.000 1.088 717 L CA 1.114 55.961 54.840 0.012 0.000 0.849 717 L CB -0.373 41.694 42.059 0.014 0.000 1.012 717 L HN -0.104 8.126 8.230 0.000 0.000 0.468 718 A N 1.364 124.192 122.820 0.013 0.000 2.032 718 A HA -0.152 4.173 4.320 0.009 0.000 0.221 718 A C 1.384 178.972 177.584 0.005 0.000 1.165 718 A CA 1.485 53.528 52.037 0.010 0.000 0.645 718 A CB -0.925 18.082 19.000 0.012 0.000 0.807 718 A HN 0.709 8.859 8.150 0.000 0.000 0.453 719 R N 0.837 121.341 120.500 0.006 0.000 2.207 719 R HA 0.432 4.777 4.340 0.009 0.000 0.334 719 R C 0.574 176.876 176.300 0.003 0.000 1.013 719 R CA -0.061 56.041 56.100 0.004 0.000 0.858 719 R CB 0.438 30.740 30.300 0.004 0.000 1.094 719 R HN 0.522 8.792 8.270 0.000 0.000 0.457 720 E N 1.555 121.756 120.200 0.002 0.000 3.888 720 E HA -0.361 3.994 4.350 0.009 0.000 0.342 720 E C -0.844 175.756 176.600 0.001 0.000 1.616 720 E CA 1.345 57.745 56.400 0.001 0.000 2.354 720 E CB -0.103 29.597 29.700 0.000 0.000 1.904 720 E HN 0.504 8.864 8.360 0.000 0.000 0.383 721 L N -1.243 119.979 121.223 -0.000 0.000 2.624 721 L HA 0.259 4.604 4.340 0.009 0.000 0.165 721 L C 0.476 177.344 176.870 -0.002 0.000 1.554 721 L CA 0.707 55.546 54.840 -0.001 0.000 1.041 721 L CB -0.191 41.868 42.059 -0.001 0.000 1.806 721 L HN 0.608 8.838 8.230 0.000 0.000 0.491 722 S N 0.000 115.699 115.700 -0.002 0.000 2.498 722 S HA 0.000 4.475 4.470 0.009 0.000 0.327 722 S CA 0.000 58.199 58.200 -0.002 0.000 1.107 722 S CB 0.000 63.199 63.200 -0.002 0.000 0.593 722 S HN 0.000 8.310 8.310 0.000 0.000 0.517