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 1z0v_1_A DATA FIRST_RESID 417 DATA SEQUENCE KLFITEGYEV GRVNGLAVIG ESAGIVLPII AEVTPSMXXX EGRVIATGRL DATA SEQUENCE QEIAREAVMN VSAIIKKYTG RDISNMDVHI QFVGTYEGVE GDSASISIAT DATA SEQUENCE AVISAIEGIP VDQSVAMTGS LSVKGEVLPV GGVTQKIEAA IQAGLKKVII DATA SEQUENCE PKDNIDDVLL DAEHEGKIEV IPVSRINEVL EHVLEDGKKK NRLMSKFK 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 417 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 417 K C 0.000 176.407 176.600 -0.322 0.000 0.988 417 K CA 0.000 56.100 56.287 -0.312 0.000 0.838 417 K CB 0.000 32.205 32.500 -0.492 0.000 1.064 418 L N 1.142 122.128 121.223 -0.395 0.000 2.627 418 L HA 0.241 4.575 4.340 -0.010 0.000 0.233 418 L C -0.434 176.418 176.870 -0.030 0.000 1.144 418 L CA 0.217 54.959 54.840 -0.163 0.000 0.892 418 L CB -0.827 41.221 42.059 -0.017 0.000 1.039 418 L HN 0.523 8.753 8.230 -0.000 0.000 0.442 419 F N -2.301 117.683 119.950 0.058 0.000 2.685 419 F HA 0.652 5.173 4.527 -0.010 0.000 0.315 419 F C -0.781 175.032 175.800 0.023 0.000 1.126 419 F CA -1.765 56.261 58.000 0.044 0.000 0.950 419 F CB 0.691 39.717 39.000 0.043 0.000 1.360 419 F HN -0.355 7.945 8.300 -0.000 0.000 0.469 420 I N 0.637 121.371 120.570 0.273 0.000 2.377 420 I HA 0.400 4.564 4.170 -0.010 0.000 0.293 420 I C 0.751 176.975 176.117 0.178 0.000 0.987 420 I CA -0.352 61.044 61.300 0.160 0.000 1.185 420 I CB 2.078 40.128 38.000 0.083 0.000 1.341 420 I HN 0.829 9.039 8.210 -0.000 0.000 0.455 421 T N 0.669 115.311 114.554 0.147 0.000 3.069 421 T HA 0.387 4.731 4.350 -0.010 0.000 0.252 421 T C 0.173 174.882 174.700 0.016 0.000 1.053 421 T CA -0.181 61.973 62.100 0.090 0.000 0.964 421 T CB -0.489 68.455 68.868 0.127 0.000 1.005 421 T HN 0.696 8.936 8.240 -0.000 0.000 0.532 422 E N -0.149 120.055 120.200 0.007 0.000 2.456 422 E HA 0.620 4.963 4.350 -0.010 0.000 0.278 422 E C 0.155 176.746 176.600 -0.015 0.000 1.034 422 E CA -1.056 55.332 56.400 -0.020 0.000 0.846 422 E CB 0.235 29.938 29.700 0.005 0.000 1.460 422 E HN 0.279 8.639 8.360 -0.000 0.000 0.463 423 G N -0.726 108.079 108.800 0.009 0.000 2.894 423 G HA2 -0.209 3.745 3.960 -0.010 0.000 0.247 423 G HA3 -0.209 3.745 3.960 -0.010 0.000 0.247 423 G C -1.152 173.794 174.900 0.077 0.000 1.442 423 G CA -0.071 45.091 45.100 0.104 0.000 0.897 423 G HN 0.462 8.752 8.290 -0.000 0.000 0.550 424 Y N -0.469 119.840 120.300 0.015 0.000 2.633 424 Y HA 0.749 5.292 4.550 -0.011 0.000 0.339 424 Y C 0.281 176.188 175.900 0.012 0.000 1.045 424 Y CA -0.968 57.140 58.100 0.013 0.000 1.098 424 Y CB 2.511 40.978 38.460 0.011 0.000 1.296 424 Y HN 0.499 8.779 8.280 -0.000 0.000 0.494 425 E N 0.985 121.304 120.200 0.197 0.000 2.522 425 E HA 0.167 4.511 4.350 -0.010 0.000 0.315 425 E C -1.516 175.129 176.600 0.076 0.000 0.917 425 E CA -0.475 55.984 56.400 0.099 0.000 0.796 425 E CB 1.943 31.680 29.700 0.063 0.000 1.323 425 E HN 0.485 8.845 8.360 -0.000 0.000 0.397 426 V N 0.396 120.345 119.914 0.058 0.000 2.584 426 V HA 0.249 4.363 4.120 -0.010 0.000 0.303 426 V C 1.448 177.560 176.094 0.030 0.000 1.035 426 V CA 0.926 63.251 62.300 0.042 0.000 1.172 426 V CB -0.278 31.562 31.823 0.028 0.000 0.896 426 V HN 0.960 9.150 8.190 -0.000 0.000 0.486 427 G N 3.485 112.300 108.800 0.025 0.000 2.221 427 G HA2 -0.230 3.724 3.960 -0.010 0.000 0.265 427 G HA3 -0.230 3.724 3.960 -0.010 0.000 0.265 427 G C 0.113 175.010 174.900 -0.005 0.000 1.041 427 G CA 0.153 45.258 45.100 0.008 0.000 0.807 427 G HN 0.796 9.086 8.290 -0.000 0.000 0.502 428 R N -0.774 119.727 120.500 0.001 0.000 2.575 428 R HA 0.654 4.988 4.340 -0.010 0.000 0.293 428 R C -0.499 175.792 176.300 -0.014 0.000 0.983 428 R CA -0.621 55.475 56.100 -0.007 0.000 0.887 428 R CB 2.369 32.678 30.300 0.013 0.000 1.184 428 R HN 0.227 8.497 8.270 -0.000 0.000 0.445 429 V N 1.646 121.541 119.914 -0.032 0.000 3.001 429 V HA 0.421 4.535 4.120 -0.010 0.000 0.314 429 V C -0.172 175.895 176.094 -0.046 0.000 1.099 429 V CA -1.156 61.118 62.300 -0.043 0.000 0.989 429 V CB 2.583 34.377 31.823 -0.049 0.000 1.040 429 V HN 0.569 8.759 8.190 -0.000 0.000 0.434 430 N N 2.282 120.942 118.700 -0.068 0.000 2.699 430 N HA 0.442 5.176 4.740 -0.010 0.000 0.232 430 N C 0.290 175.738 175.510 -0.103 0.000 1.027 430 N CA 0.120 53.112 53.050 -0.096 0.000 0.920 430 N CB 1.671 40.070 38.487 -0.147 0.000 1.148 430 N HN 0.968 9.348 8.380 -0.000 0.000 0.509 431 G N 0.712 109.464 108.800 -0.080 0.000 2.516 431 G HA2 0.598 4.552 3.960 -0.010 0.000 0.276 431 G HA3 0.598 4.552 3.960 -0.010 0.000 0.276 431 G C -0.344 174.502 174.900 -0.089 0.000 1.390 431 G CA -0.214 44.844 45.100 -0.070 0.000 1.050 431 G HN 0.420 8.710 8.290 -0.000 0.000 0.519 432 L N -1.076 120.104 121.223 -0.072 0.000 2.434 432 L HA 0.743 5.077 4.340 -0.010 0.000 0.260 432 L C 0.025 176.857 176.870 -0.063 0.000 0.983 432 L CA -0.849 53.944 54.840 -0.077 0.000 0.820 432 L CB 2.289 44.301 42.059 -0.078 0.000 1.361 432 L HN 0.769 8.999 8.230 -0.000 0.000 0.410 433 A N 0.967 123.747 122.820 -0.065 0.000 2.569 433 A HA 0.913 5.227 4.320 -0.010 0.000 0.290 433 A C -0.939 176.623 177.584 -0.036 0.000 1.136 433 A CA -0.671 51.332 52.037 -0.057 0.000 0.710 433 A CB 1.877 20.826 19.000 -0.085 0.000 1.303 433 A HN 0.504 8.654 8.150 -0.000 0.000 0.413 434 V N -0.741 119.156 119.914 -0.028 0.000 2.716 434 V HA 0.793 4.907 4.120 -0.010 0.000 0.304 434 V C -0.165 175.928 176.094 -0.003 0.000 1.053 434 V CA -0.585 61.707 62.300 -0.014 0.000 0.984 434 V CB 0.762 32.575 31.823 -0.017 0.000 1.021 434 V HN 0.692 8.882 8.190 -0.000 0.000 0.467 435 I N 1.383 121.960 120.570 0.011 0.000 2.693 435 I HA 0.762 4.926 4.170 -0.010 0.000 0.303 435 I C 1.449 177.575 176.117 0.014 0.000 1.025 435 I CA -0.372 60.943 61.300 0.026 0.000 1.086 435 I CB 1.342 39.370 38.000 0.046 0.000 1.268 435 I HN 0.935 9.145 8.210 -0.000 0.000 0.440 436 G N 2.818 111.626 108.800 0.014 0.000 2.808 436 G HA2 -0.375 3.579 3.960 -0.010 0.000 0.470 436 G HA3 -0.375 3.579 3.960 -0.010 0.000 0.470 436 G C 0.871 175.771 174.900 0.000 0.000 1.041 436 G CA 1.336 46.439 45.100 0.005 0.000 0.839 436 G HN 0.867 9.157 8.290 -0.000 0.000 0.825 437 E N -0.697 119.503 120.200 -0.000 0.000 2.216 437 E HA 0.113 4.457 4.350 -0.010 0.000 0.192 437 E C 2.275 178.872 176.600 -0.006 0.000 0.988 437 E CA 1.248 57.646 56.400 -0.004 0.000 0.834 437 E CB 0.108 29.806 29.700 -0.003 0.000 0.772 437 E HN 0.375 8.735 8.360 -0.000 0.000 0.479 438 S N -1.126 114.572 115.700 -0.004 0.000 3.102 438 S HA 0.238 4.702 4.470 -0.010 0.000 0.265 438 S C 0.076 174.673 174.600 -0.006 0.000 1.072 438 S CA 0.027 58.223 58.200 -0.007 0.000 0.946 438 S CB 0.640 63.834 63.200 -0.009 0.000 0.901 438 S HN 0.263 8.573 8.310 -0.000 0.000 0.437 439 A N 2.233 125.055 122.820 0.002 0.000 2.565 439 A HA 0.515 4.829 4.320 -0.010 0.000 0.237 439 A C 0.844 178.430 177.584 0.003 0.000 1.053 439 A CA 0.588 52.629 52.037 0.006 0.000 0.755 439 A CB -0.434 18.578 19.000 0.020 0.000 0.980 439 A HN 0.451 8.601 8.150 -0.000 0.000 0.506 440 G N 0.722 109.519 108.800 -0.005 0.000 2.491 440 G HA2 0.492 4.446 3.960 -0.010 0.000 0.242 440 G HA3 0.492 4.446 3.960 -0.010 0.000 0.242 440 G C -0.005 174.902 174.900 0.012 0.000 1.266 440 G CA 0.302 45.396 45.100 -0.009 0.000 0.844 440 G HN 1.443 9.733 8.290 -0.000 0.000 0.571 441 I N -1.631 118.944 120.570 0.010 0.000 3.279 441 I HA 0.651 4.814 4.170 -0.010 0.000 0.315 441 I C -0.739 175.367 176.117 -0.019 0.000 1.225 441 I CA -1.436 59.885 61.300 0.034 0.000 0.947 441 I CB 1.912 39.981 38.000 0.115 0.000 1.293 441 I HN 0.287 8.497 8.210 -0.000 0.000 0.468 442 V N 2.815 122.718 119.914 -0.018 0.000 2.509 442 V HA 0.370 4.484 4.120 -0.010 0.000 0.284 442 V C -0.446 175.632 176.094 -0.026 0.000 1.047 442 V CA -0.420 61.802 62.300 -0.129 0.000 0.952 442 V CB 1.395 32.933 31.823 -0.476 0.000 0.988 442 V HN 0.502 8.692 8.190 -0.000 0.000 0.469 443 L N 8.420 129.587 121.223 -0.094 0.000 2.384 443 L HA 0.575 4.909 4.340 -0.010 0.000 0.261 443 L C -2.575 174.282 176.870 -0.023 0.000 1.024 443 L CA -2.178 52.568 54.840 -0.158 0.000 0.899 443 L CB 1.282 43.231 42.059 -0.182 0.000 1.243 443 L HN 0.403 8.633 8.230 -0.000 0.000 0.449 444 P HA 0.227 4.647 4.420 -0.000 0.000 0.271 444 P C -0.937 176.376 177.300 0.021 0.000 1.220 444 P CA 0.094 63.260 63.100 0.109 0.000 0.768 444 P CB 0.553 32.408 31.700 0.259 0.000 0.848 445 I N 4.640 125.178 120.570 -0.054 0.000 2.436 445 I HA 0.364 4.528 4.170 -0.010 0.000 0.289 445 I C 0.014 176.076 176.117 -0.092 0.000 1.010 445 I CA -0.986 60.217 61.300 -0.161 0.000 1.098 445 I CB 1.485 39.355 38.000 -0.218 0.000 1.266 445 I HN 0.329 8.539 8.210 -0.000 0.000 0.434 446 I N 5.756 126.264 120.570 -0.103 0.000 2.355 446 I HA 0.717 4.881 4.170 -0.010 0.000 0.288 446 I C -0.735 175.332 176.117 -0.084 0.000 0.999 446 I CA -0.283 60.979 61.300 -0.063 0.000 1.163 446 I CB 1.319 39.307 38.000 -0.020 0.000 1.316 446 I HN 0.670 8.880 8.210 -0.000 0.000 0.454 447 A N 7.282 130.066 122.820 -0.060 0.000 2.318 447 A HA 0.750 5.064 4.320 -0.010 0.000 0.324 447 A C -0.554 177.034 177.584 0.007 0.000 1.170 447 A CA -0.566 51.456 52.037 -0.025 0.000 0.810 447 A CB 1.009 19.990 19.000 -0.032 0.000 1.198 447 A HN 0.826 8.976 8.150 -0.000 0.000 0.484 448 E N 0.207 120.427 120.200 0.034 0.000 2.336 448 E HA 0.646 4.989 4.350 -0.010 0.000 0.267 448 E C -1.167 175.471 176.600 0.065 0.000 0.906 448 E CA -1.019 55.389 56.400 0.014 0.000 0.781 448 E CB 2.589 32.261 29.700 -0.048 0.000 1.261 448 E HN 0.748 9.108 8.360 -0.000 0.000 0.436 449 V N -1.709 118.221 119.914 0.028 0.000 2.932 449 V HA 0.785 4.899 4.120 -0.010 0.000 0.307 449 V C -0.827 175.287 176.094 0.033 0.000 1.147 449 V CA -0.731 61.622 62.300 0.088 0.000 0.951 449 V CB 1.605 33.475 31.823 0.079 0.000 1.031 449 V HN 0.821 9.011 8.190 -0.000 0.000 0.426 450 T N 1.606 116.213 114.554 0.089 0.000 2.886 450 T HA 0.719 5.063 4.350 -0.010 0.000 0.292 450 T C -3.089 171.659 174.700 0.080 0.000 1.012 450 T CA -1.886 60.249 62.100 0.059 0.000 0.982 450 T CB 1.578 70.467 68.868 0.036 0.000 1.018 450 T HN 0.758 8.998 8.240 -0.000 0.000 0.451 451 P HA -0.067 4.353 4.420 -0.000 0.000 0.263 451 P C 0.498 177.828 177.300 0.050 0.000 1.145 451 P CA 0.429 63.553 63.100 0.041 0.000 0.755 451 P CB 0.573 32.288 31.700 0.026 0.000 0.746 452 S N 2.945 118.669 115.700 0.039 0.000 2.400 452 S HA 0.440 4.904 4.470 -0.010 0.000 0.170 452 S C 0.378 174.993 174.600 0.024 0.000 0.917 452 S CA 0.823 59.044 58.200 0.033 0.000 1.028 452 S CB -0.169 63.045 63.200 0.025 0.000 0.810 452 S HN 0.418 8.728 8.310 -0.000 0.000 0.504 458 G N 2.197 110.996 108.800 -0.000 0.000 2.537 458 G HA2 0.785 4.739 3.960 -0.010 0.000 0.297 458 G HA3 0.785 4.739 3.960 -0.010 0.000 0.297 458 G C -0.412 174.478 174.900 -0.018 0.000 1.310 458 G CA -0.479 44.616 45.100 -0.008 0.000 1.027 458 G HN 0.437 8.727 8.290 -0.000 0.000 0.505 459 R N -2.539 117.938 120.500 -0.039 0.000 3.080 459 R HA 0.793 5.127 4.340 -0.010 0.000 0.248 459 R C -1.883 174.366 176.300 -0.085 0.000 1.324 459 R CA -0.751 55.319 56.100 -0.050 0.000 1.036 459 R CB 1.196 31.465 30.300 -0.051 0.000 1.360 459 R HN 0.427 8.697 8.270 -0.000 0.000 0.479 460 V N 0.928 120.790 119.914 -0.086 0.000 2.777 460 V HA 0.410 4.524 4.120 -0.010 0.000 0.306 460 V C -1.335 174.708 176.094 -0.085 0.000 1.112 460 V CA -0.711 61.536 62.300 -0.088 0.000 0.917 460 V CB 2.076 33.882 31.823 -0.029 0.000 1.018 460 V HN 0.543 8.733 8.190 -0.000 0.000 0.426 461 I N 3.876 124.381 120.570 -0.109 0.000 2.418 461 I HA 0.883 5.047 4.170 -0.010 0.000 0.287 461 I C 0.056 176.186 176.117 0.022 0.000 1.008 461 I CA -0.137 61.130 61.300 -0.056 0.000 1.104 461 I CB 1.952 39.889 38.000 -0.104 0.000 1.264 461 I HN 0.777 8.987 8.210 -0.000 0.000 0.438 462 A N 3.852 126.708 122.820 0.059 0.000 2.540 462 A HA 0.884 5.198 4.320 -0.010 0.000 0.297 462 A C -0.469 177.182 177.584 0.110 0.000 1.056 462 A CA -0.423 51.688 52.037 0.123 0.000 0.700 462 A CB 1.593 20.695 19.000 0.170 0.000 1.280 462 A HN 0.647 8.797 8.150 -0.000 0.000 0.398 463 T N -1.105 113.530 114.554 0.135 0.000 2.838 463 T HA 0.945 5.288 4.350 -0.010 0.000 0.292 463 T C 0.542 175.302 174.700 0.100 0.000 1.113 463 T CA 0.194 62.350 62.100 0.094 0.000 1.008 463 T CB 1.081 69.997 68.868 0.080 0.000 1.259 463 T HN 2.769 11.008 8.240 -0.000 0.000 0.520 464 G N 0.927 109.763 108.800 0.059 0.000 2.828 464 G HA2 -0.175 3.779 3.960 -0.010 0.000 0.463 464 G HA3 -0.175 3.779 3.960 -0.010 0.000 0.463 464 G C 0.260 175.150 174.900 -0.016 0.000 1.394 464 G CA 0.251 45.371 45.100 0.034 0.000 0.862 464 G HN 0.926 9.216 8.290 -0.000 0.000 0.540 465 R N -0.615 119.855 120.500 -0.049 0.000 2.120 465 R HA 0.083 4.417 4.340 -0.010 0.000 0.234 465 R C 2.113 178.334 176.300 -0.132 0.000 1.123 465 R CA 1.496 57.552 56.100 -0.074 0.000 0.975 465 R CB -0.265 29.996 30.300 -0.065 0.000 0.866 465 R HN 0.421 8.691 8.270 -0.000 0.000 0.446 466 L N 1.781 122.840 121.223 -0.273 0.000 2.851 466 L HA 0.114 4.448 4.340 -0.010 0.000 0.237 466 L C 1.801 178.574 176.870 -0.162 0.000 1.257 466 L CA -0.152 54.450 54.840 -0.396 0.000 1.061 466 L CB -0.131 41.330 42.059 -0.997 0.000 1.372 466 L HN 0.318 8.548 8.230 -0.000 0.000 0.493 467 Q N 0.465 120.247 119.800 -0.031 0.000 2.137 467 Q HA -0.179 4.155 4.340 -0.010 0.000 0.198 467 Q C 1.359 177.401 176.000 0.071 0.000 0.960 467 Q CA 1.413 57.260 55.803 0.073 0.000 0.847 467 Q CB 0.014 28.790 28.738 0.064 0.000 0.915 467 Q HN 0.674 8.944 8.270 -0.000 0.000 0.448 468 E N 0.660 120.879 120.200 0.031 0.000 2.031 468 E HA -0.191 4.152 4.350 -0.010 0.000 0.193 468 E C 2.023 178.651 176.600 0.046 0.000 0.994 468 E CA 1.014 57.432 56.400 0.030 0.000 0.800 468 E CB -0.375 29.332 29.700 0.011 0.000 0.752 468 E HN 0.236 8.596 8.360 -0.000 0.000 0.447 469 I N 2.141 122.736 120.570 0.042 0.000 2.143 469 I HA -0.328 3.836 4.170 -0.010 0.000 0.245 469 I C 2.501 178.684 176.117 0.109 0.000 1.068 469 I CA 1.516 62.855 61.300 0.065 0.000 1.326 469 I CB -0.998 37.035 38.000 0.054 0.000 1.028 469 I HN 0.208 8.418 8.210 -0.000 0.000 0.412 470 A N 0.290 123.212 122.820 0.170 0.000 1.929 470 A HA -0.172 4.142 4.320 -0.010 0.000 0.216 470 A C 2.313 179.948 177.584 0.085 0.000 1.176 470 A CA 1.574 53.715 52.037 0.173 0.000 0.628 470 A CB -0.454 18.701 19.000 0.259 0.000 0.816 470 A HN 0.554 8.704 8.150 -0.000 0.000 0.444 471 R N -0.406 120.138 120.500 0.073 0.000 2.223 471 R HA 0.153 4.487 4.340 -0.010 0.000 0.198 471 R C 1.916 178.237 176.300 0.034 0.000 0.984 471 R CA 0.810 56.935 56.100 0.043 0.000 1.018 471 R CB -0.338 29.982 30.300 0.033 0.000 0.945 471 R HN 0.655 8.925 8.270 -0.000 0.000 0.479 472 E N 2.136 122.359 120.200 0.037 0.000 2.023 472 E HA -0.232 4.112 4.350 -0.010 0.000 0.196 472 E C 2.064 178.684 176.600 0.032 0.000 1.003 472 E CA 1.477 57.895 56.400 0.030 0.000 0.809 472 E CB -0.172 29.545 29.700 0.028 0.000 0.755 472 E HN 0.321 8.681 8.360 -0.000 0.000 0.449 473 A N 0.374 123.218 122.820 0.041 0.000 1.906 473 A HA -0.300 4.014 4.320 -0.010 0.000 0.222 473 A C 2.399 180.001 177.584 0.030 0.000 1.282 473 A CA 2.672 54.731 52.037 0.037 0.000 0.675 473 A CB -1.097 17.932 19.000 0.048 0.000 0.838 473 A HN 0.289 8.439 8.150 -0.000 0.000 0.469 474 V N -0.407 119.524 119.914 0.029 0.000 2.599 474 V HA -0.123 3.991 4.120 -0.010 0.000 0.245 474 V C 2.512 178.622 176.094 0.028 0.000 1.046 474 V CA 1.634 63.950 62.300 0.026 0.000 1.065 474 V CB -0.524 31.311 31.823 0.019 0.000 0.703 474 V HN 0.761 8.951 8.190 -0.000 0.000 0.464 475 M N 1.042 120.657 119.600 0.025 0.000 2.200 475 M HA -0.131 4.343 4.480 -0.010 0.000 0.265 475 M C 1.796 178.113 176.300 0.028 0.000 1.066 475 M CA 1.944 57.257 55.300 0.023 0.000 1.127 475 M CB -0.491 32.120 32.600 0.018 0.000 1.379 475 M HN 0.306 8.596 8.290 -0.000 0.000 0.420 476 N N 0.772 119.489 118.700 0.029 0.000 2.289 476 N HA -0.112 4.622 4.740 -0.010 0.000 0.184 476 N C 1.495 177.032 175.510 0.045 0.000 1.016 476 N CA 1.074 54.145 53.050 0.035 0.000 0.872 476 N CB -0.535 37.971 38.487 0.031 0.000 0.973 476 N HN 0.310 8.690 8.380 -0.000 0.000 0.433 477 V N -0.003 119.938 119.914 0.045 0.000 3.573 477 V HA 0.035 4.149 4.120 -0.010 0.000 0.270 477 V C 1.162 177.300 176.094 0.073 0.000 1.221 477 V CA 0.755 63.091 62.300 0.060 0.000 1.163 477 V CB -0.462 31.391 31.823 0.050 0.000 0.847 477 V HN 0.238 8.428 8.190 -0.000 0.000 0.468 478 S N 0.619 116.354 115.700 0.059 0.000 2.412 478 S HA 0.124 4.588 4.470 -0.010 0.000 0.223 478 S C 2.212 176.849 174.600 0.062 0.000 1.048 478 S CA 0.840 59.074 58.200 0.057 0.000 0.954 478 S CB -0.340 62.883 63.200 0.037 0.000 0.840 478 S HN 0.690 9.000 8.310 -0.000 0.000 0.503 479 A N 2.371 125.223 122.820 0.053 0.000 1.986 479 A HA -0.106 4.208 4.320 -0.010 0.000 0.220 479 A C 2.062 179.684 177.584 0.063 0.000 1.171 479 A CA 1.378 53.438 52.037 0.038 0.000 0.640 479 A CB -0.767 18.252 19.000 0.031 0.000 0.811 479 A HN 0.475 8.625 8.150 -0.000 0.000 0.451 480 I N 0.011 120.655 120.570 0.124 0.000 2.162 480 I HA -0.184 3.980 4.170 -0.010 0.000 0.238 480 I C 2.184 178.465 176.117 0.272 0.000 1.076 480 I CA 1.690 63.138 61.300 0.247 0.000 1.353 480 I CB -0.842 37.323 38.000 0.276 0.000 1.063 480 I HN 0.400 8.610 8.210 -0.000 0.000 0.408 481 I N 1.253 121.940 120.570 0.196 0.000 2.141 481 I HA -0.456 3.708 4.170 -0.010 0.000 0.243 481 I C 2.575 178.735 176.117 0.071 0.000 1.035 481 I CA 2.044 63.425 61.300 0.134 0.000 1.302 481 I CB -0.611 37.447 38.000 0.096 0.000 1.006 481 I HN 0.275 8.485 8.210 -0.000 0.000 0.413 482 K N 0.890 121.315 120.400 0.042 0.000 1.965 482 K HA -0.190 4.124 4.320 -0.010 0.000 0.214 482 K C 2.094 178.659 176.600 -0.058 0.000 1.042 482 K CA 1.521 57.804 56.287 -0.007 0.000 0.950 482 K CB -0.260 32.231 32.500 -0.015 0.000 0.733 482 K HN -0.018 8.232 8.250 -0.000 0.000 0.441 483 K N -0.854 119.483 120.400 -0.106 0.000 2.318 483 K HA -0.237 4.076 4.320 -0.010 0.000 0.204 483 K C 1.419 177.751 176.600 -0.447 0.000 1.044 483 K CA 1.749 57.870 56.287 -0.277 0.000 0.932 483 K CB -0.038 32.261 32.500 -0.336 0.000 0.734 483 K HN 0.237 8.487 8.250 -0.000 0.000 0.473 484 Y N -2.889 117.355 120.300 -0.093 0.000 2.581 484 Y HA 0.129 4.680 4.550 0.001 0.000 0.271 484 Y C 1.553 177.282 175.900 -0.285 0.000 1.100 484 Y CA 0.358 58.319 58.100 -0.231 0.000 1.281 484 Y CB 1.037 39.239 38.460 -0.429 0.000 1.237 484 Y HN -0.141 8.139 8.280 -0.000 0.000 0.514 485 T N -0.919 113.601 114.554 -0.056 0.000 3.275 485 T HA 0.185 4.529 4.350 -0.010 0.000 0.298 485 T C 1.262 175.936 174.700 -0.042 0.000 0.988 485 T CA 0.429 62.482 62.100 -0.078 0.000 0.936 485 T CB -0.296 68.523 68.868 -0.081 0.000 1.159 485 T HN 0.386 8.626 8.240 -0.000 0.000 0.519 486 G N 2.815 111.590 108.800 -0.041 0.000 2.344 486 G HA2 -0.297 3.657 3.960 -0.010 0.000 0.311 486 G HA3 -0.297 3.657 3.960 -0.010 0.000 0.311 486 G C 0.319 175.212 174.900 -0.012 0.000 0.765 486 G CA 0.631 45.715 45.100 -0.028 0.000 0.836 486 G HN 0.455 8.745 8.290 -0.000 0.000 0.488 487 R N 0.021 120.520 120.500 -0.001 0.000 2.490 487 R HA 0.178 4.512 4.340 -0.010 0.000 0.280 487 R C -0.450 175.856 176.300 0.011 0.000 1.077 487 R CA -0.419 55.686 56.100 0.008 0.000 1.065 487 R CB 0.675 30.986 30.300 0.018 0.000 1.003 487 R HN 0.156 8.426 8.270 -0.000 0.000 0.470 488 D N 3.406 123.811 120.400 0.009 0.000 2.317 488 D HA 0.105 4.739 4.640 -0.010 0.000 0.234 488 D C 1.061 177.371 176.300 0.016 0.000 1.112 488 D CA -0.144 53.862 54.000 0.010 0.000 0.840 488 D CB 1.137 41.940 40.800 0.005 0.000 1.078 488 D HN 0.469 8.839 8.370 -0.000 0.000 0.486 489 I N 1.800 122.383 120.570 0.021 0.000 2.916 489 I HA -0.218 3.946 4.170 -0.010 0.000 0.267 489 I C 2.197 178.324 176.117 0.017 0.000 1.263 489 I CA 0.322 61.636 61.300 0.024 0.000 1.471 489 I CB 0.059 38.076 38.000 0.029 0.000 1.089 489 I HN 0.261 8.471 8.210 -0.000 0.000 0.468 490 S N 1.326 117.034 115.700 0.013 0.000 2.380 490 S HA -0.200 4.264 4.470 -0.010 0.000 0.229 490 S C 1.536 176.141 174.600 0.010 0.000 1.043 490 S CA 1.553 59.758 58.200 0.009 0.000 1.038 490 S CB -0.302 62.902 63.200 0.006 0.000 0.872 490 S HN 0.541 8.851 8.310 -0.000 0.000 0.456 491 N N 0.350 119.057 118.700 0.012 0.000 2.280 491 N HA 0.251 4.985 4.740 -0.010 0.000 0.192 491 N C -0.147 175.375 175.510 0.021 0.000 1.109 491 N CA 0.274 53.333 53.050 0.014 0.000 0.855 491 N CB 0.059 38.553 38.487 0.013 0.000 0.974 491 N HN 0.416 8.796 8.380 -0.000 0.000 0.482 492 M N -0.389 119.226 119.600 0.024 0.000 2.613 492 M HA 0.310 4.784 4.480 -0.010 0.000 0.301 492 M C -0.567 175.748 176.300 0.025 0.000 1.205 492 M CA -0.517 54.804 55.300 0.035 0.000 0.950 492 M CB 1.169 33.798 32.600 0.048 0.000 1.585 492 M HN -0.303 7.987 8.290 -0.000 0.000 0.490 493 D N 0.736 121.161 120.400 0.042 0.000 2.454 493 D HA 0.472 5.106 4.640 -0.010 0.000 0.247 493 D C -1.426 174.870 176.300 -0.008 0.000 1.129 493 D CA -0.068 53.925 54.000 -0.011 0.000 0.877 493 D CB 1.126 41.962 40.800 0.060 0.000 1.082 493 D HN 0.281 8.651 8.370 -0.000 0.000 0.537 494 V N 4.275 124.140 119.914 -0.082 0.000 2.509 494 V HA 0.342 4.456 4.120 -0.010 0.000 0.284 494 V C 0.084 176.075 176.094 -0.170 0.000 1.047 494 V CA -0.503 61.798 62.300 0.001 0.000 0.952 494 V CB 1.287 33.114 31.823 0.006 0.000 0.988 494 V HN 0.518 8.708 8.190 -0.000 0.000 0.469 495 H N 5.231 124.302 119.070 0.001 0.000 2.727 495 H HA 0.551 5.101 4.556 -0.010 0.000 0.330 495 H C -1.110 174.207 175.328 -0.018 0.000 0.986 495 H CA -0.651 55.397 56.048 0.001 0.000 1.251 495 H CB 1.976 31.740 29.762 0.004 0.000 1.493 495 H HN 0.372 8.652 8.280 -0.000 0.000 0.515 496 I N 2.801 123.410 120.570 0.065 0.000 2.608 496 I HA 0.306 4.470 4.170 -0.010 0.000 0.295 496 I C -0.357 175.742 176.117 -0.030 0.000 1.049 496 I CA -0.662 60.619 61.300 -0.032 0.000 1.063 496 I CB 2.295 40.239 38.000 -0.093 0.000 1.248 496 I HN 0.557 8.767 8.210 -0.000 0.000 0.424 497 Q N 3.795 123.532 119.800 -0.105 0.000 2.379 497 Q HA 0.531 4.865 4.340 -0.010 0.000 0.278 497 Q C -1.520 174.381 176.000 -0.166 0.000 1.068 497 Q CA -0.644 55.154 55.803 -0.008 0.000 0.816 497 Q CB 3.219 32.007 28.738 0.084 0.000 1.387 497 Q HN 0.374 8.644 8.270 -0.000 0.000 0.413 498 F N 0.810 120.829 119.950 0.115 0.000 2.445 498 F HA 0.175 4.696 4.527 -0.011 0.000 0.359 498 F C 0.454 176.414 175.800 0.266 0.000 1.101 498 F CA -0.794 57.309 58.000 0.172 0.000 1.177 498 F CB 0.651 39.754 39.000 0.172 0.000 1.110 498 F HN 0.199 8.499 8.300 -0.000 0.000 0.522 499 V N 4.784 124.904 119.914 0.343 0.000 2.382 499 V HA 0.450 4.564 4.120 -0.010 0.000 0.250 499 V C 0.687 177.042 176.094 0.435 0.000 1.069 499 V CA 0.682 63.164 62.300 0.302 0.000 1.130 499 V CB -1.053 30.887 31.823 0.195 0.000 1.165 499 V HN 1.061 9.251 8.190 -0.000 0.000 0.483 500 G N 3.468 112.406 108.800 0.231 0.000 2.320 500 G HA2 0.233 4.187 3.960 -0.010 0.000 0.274 500 G HA3 0.233 4.187 3.960 -0.010 0.000 0.274 500 G C -0.519 174.104 174.900 -0.462 0.000 1.324 500 G CA -0.142 44.816 45.100 -0.235 0.000 0.957 500 G HN 0.650 8.940 8.290 -0.000 0.000 0.481 501 T N -0.680 113.420 114.554 -0.755 0.000 2.809 501 T HA 0.641 4.985 4.350 -0.010 0.000 0.284 501 T C -1.432 172.915 174.700 -0.588 0.000 0.992 501 T CA -0.390 61.431 62.100 -0.466 0.000 0.957 501 T CB 0.762 69.496 68.868 -0.223 0.000 0.942 501 T HN 0.652 8.892 8.240 -0.000 0.000 0.439 502 Y N 3.449 123.746 120.300 -0.005 0.000 2.638 502 Y HA 0.314 4.859 4.550 -0.010 0.000 0.367 502 Y C 0.599 176.473 175.900 -0.044 0.000 1.001 502 Y CA -1.179 56.905 58.100 -0.027 0.000 1.133 502 Y CB 0.469 38.894 38.460 -0.059 0.000 1.199 502 Y HN 0.728 9.008 8.280 -0.000 0.000 0.642 503 E N 0.292 120.525 120.200 0.055 0.000 2.313 503 E HA 0.442 4.786 4.350 -0.010 0.000 0.276 503 E C 1.116 177.737 176.600 0.036 0.000 1.031 503 E CA 0.210 56.629 56.400 0.032 0.000 0.857 503 E CB 0.916 30.620 29.700 0.006 0.000 1.040 503 E HN 0.673 9.033 8.360 -0.000 0.000 0.408 504 G N 2.436 111.247 108.800 0.017 0.000 2.166 504 G HA2 -0.263 3.691 3.960 -0.010 0.000 0.260 504 G HA3 -0.263 3.691 3.960 -0.010 0.000 0.260 504 G C 0.062 174.970 174.900 0.013 0.000 0.986 504 G CA 0.296 45.402 45.100 0.010 0.000 0.683 504 G HN 0.465 8.755 8.290 -0.000 0.000 0.527 505 V N 0.292 120.219 119.914 0.022 0.000 2.432 505 V HA 0.479 4.593 4.120 -0.010 0.000 0.275 505 V C 0.463 176.533 176.094 -0.039 0.000 1.043 505 V CA -0.352 61.953 62.300 0.008 0.000 0.925 505 V CB 1.741 33.587 31.823 0.039 0.000 0.985 505 V HN 0.401 8.591 8.190 -0.000 0.000 0.466 506 E N 3.615 123.791 120.200 -0.041 0.000 2.081 506 E HA 0.519 4.863 4.350 -0.010 0.000 0.276 506 E C 0.600 177.162 176.600 -0.064 0.000 0.950 506 E CA -0.276 56.093 56.400 -0.052 0.000 0.776 506 E CB 1.085 30.764 29.700 -0.034 0.000 1.094 506 E HN 0.845 9.205 8.360 -0.000 0.000 0.402 507 G N 3.479 112.227 108.800 -0.086 0.000 2.647 507 G HA2 -0.008 3.946 3.960 -0.010 0.000 0.271 507 G HA3 -0.008 3.946 3.960 -0.010 0.000 0.271 507 G C -0.381 174.497 174.900 -0.037 0.000 1.300 507 G CA -0.436 44.623 45.100 -0.068 0.000 0.997 507 G HN 0.628 8.918 8.290 -0.000 0.000 0.533 508 D N -0.446 119.942 120.400 -0.020 0.000 2.192 508 D HA 0.317 4.951 4.640 -0.010 0.000 0.246 508 D C 0.241 176.540 176.300 -0.001 0.000 1.042 508 D CA -0.333 53.660 54.000 -0.013 0.000 0.847 508 D CB 1.620 42.413 40.800 -0.012 0.000 1.186 508 D HN 0.277 8.647 8.370 -0.000 0.000 0.461 509 S N 0.495 116.193 115.700 -0.002 0.000 2.806 509 S HA 0.009 4.473 4.470 -0.010 0.000 0.334 509 S C 0.909 175.517 174.600 0.013 0.000 1.226 509 S CA 0.390 58.593 58.200 0.006 0.000 1.017 509 S CB -0.073 63.128 63.200 0.002 0.000 0.712 509 S HN 0.664 8.974 8.310 -0.000 0.000 0.491 510 A N 4.040 126.872 122.820 0.021 0.000 2.352 510 A HA -0.161 4.153 4.320 -0.010 0.000 0.286 510 A C 0.875 178.472 177.584 0.023 0.000 1.415 510 A CA 1.001 53.053 52.037 0.026 0.000 0.784 510 A CB -2.006 17.007 19.000 0.021 0.000 1.065 510 A HN 1.682 9.832 8.150 -0.000 0.000 0.378 511 S N -0.212 115.507 115.700 0.032 0.000 2.673 511 S HA 0.148 4.612 4.470 -0.010 0.000 0.308 511 S C 1.475 176.081 174.600 0.010 0.000 1.246 511 S CA 0.114 58.328 58.200 0.023 0.000 1.077 511 S CB -0.413 62.815 63.200 0.046 0.000 0.814 511 S HN 1.390 9.700 8.310 -0.000 0.000 0.503 512 I N 3.874 124.442 120.570 -0.003 0.000 2.194 512 I HA -0.173 3.991 4.170 -0.010 0.000 0.246 512 I C 2.318 178.423 176.117 -0.019 0.000 1.093 512 I CA 1.797 63.089 61.300 -0.013 0.000 1.355 512 I CB -1.350 36.637 38.000 -0.022 0.000 1.046 512 I HN 0.783 8.993 8.210 -0.000 0.000 0.413 513 S N 2.380 118.067 115.700 -0.023 0.000 2.380 513 S HA -0.217 4.247 4.470 -0.010 0.000 0.229 513 S C 1.989 176.564 174.600 -0.041 0.000 1.043 513 S CA 1.868 60.047 58.200 -0.035 0.000 1.038 513 S CB -1.250 61.926 63.200 -0.041 0.000 0.872 513 S HN 0.646 8.956 8.310 -0.000 0.000 0.456 514 I N 2.486 123.034 120.570 -0.035 0.000 2.163 514 I HA -0.109 4.055 4.170 -0.010 0.000 0.240 514 I C 3.158 179.258 176.117 -0.029 0.000 1.081 514 I CA 1.174 62.443 61.300 -0.052 0.000 1.353 514 I CB -1.020 36.962 38.000 -0.030 0.000 1.054 514 I HN 0.427 8.637 8.210 -0.000 0.000 0.407 515 A N 1.092 123.907 122.820 -0.008 0.000 1.978 515 A HA -0.201 4.113 4.320 -0.010 0.000 0.220 515 A C 2.389 179.973 177.584 -0.001 0.000 1.170 515 A CA 2.518 54.557 52.037 0.004 0.000 0.636 515 A CB -1.134 17.871 19.000 0.009 0.000 0.810 515 A HN 0.481 8.631 8.150 -0.000 0.000 0.448 516 T N 0.433 114.978 114.554 -0.015 0.000 2.674 516 T HA -0.013 4.331 4.350 -0.010 0.000 0.265 516 T C 2.236 176.931 174.700 -0.009 0.000 1.039 516 T CA 1.581 63.671 62.100 -0.016 0.000 1.150 516 T CB -0.642 68.210 68.868 -0.026 0.000 0.864 516 T HN 0.613 8.853 8.240 -0.000 0.000 0.427 517 A N 1.173 123.979 122.820 -0.022 0.000 1.917 517 A HA -0.082 4.232 4.320 -0.010 0.000 0.219 517 A C 2.625 180.206 177.584 -0.004 0.000 1.182 517 A CA 1.619 53.643 52.037 -0.021 0.000 0.633 517 A CB -1.181 17.788 19.000 -0.052 0.000 0.819 517 A HN 0.359 8.509 8.150 -0.000 0.000 0.448 518 V N -0.027 119.887 119.914 -0.001 0.000 2.270 518 V HA -0.268 3.846 4.120 -0.010 0.000 0.245 518 V C 2.408 178.523 176.094 0.035 0.000 1.043 518 V CA 2.025 64.335 62.300 0.018 0.000 1.014 518 V CB -0.755 31.081 31.823 0.020 0.000 0.645 518 V HN 0.579 8.769 8.190 -0.000 0.000 0.447 519 I N 0.146 120.742 120.570 0.043 0.000 2.113 519 I HA -0.341 3.823 4.170 -0.010 0.000 0.242 519 I C 2.763 178.914 176.117 0.057 0.000 1.064 519 I CA 2.078 63.418 61.300 0.066 0.000 1.320 519 I CB -0.621 37.425 38.000 0.078 0.000 1.028 519 I HN 0.315 8.525 8.210 -0.000 0.000 0.406 520 S N 0.060 115.786 115.700 0.043 0.000 2.368 520 S HA -0.316 4.148 4.470 -0.010 0.000 0.226 520 S C 2.157 176.778 174.600 0.036 0.000 1.044 520 S CA 1.948 60.173 58.200 0.041 0.000 1.062 520 S CB -0.404 62.818 63.200 0.036 0.000 0.931 520 S HN 0.513 8.823 8.310 -0.000 0.000 0.440 521 A N 1.101 123.939 122.820 0.030 0.000 1.841 521 A HA 0.031 4.345 4.320 -0.010 0.000 0.214 521 A C 2.254 179.856 177.584 0.030 0.000 1.195 521 A CA 1.495 53.547 52.037 0.026 0.000 0.611 521 A CB -1.027 17.987 19.000 0.024 0.000 0.835 521 A HN 0.614 8.764 8.150 -0.000 0.000 0.443 522 I N -0.605 119.987 120.570 0.037 0.000 2.315 522 I HA -0.224 3.940 4.170 -0.010 0.000 0.251 522 I C 1.752 177.891 176.117 0.036 0.000 1.125 522 I CA 1.523 62.846 61.300 0.039 0.000 1.392 522 I CB 0.035 38.062 38.000 0.046 0.000 1.065 522 I HN 0.340 8.550 8.210 -0.000 0.000 0.424 523 E N 0.131 120.356 120.200 0.041 0.000 2.476 523 E HA 0.106 4.450 4.350 -0.010 0.000 0.199 523 E C 1.243 177.861 176.600 0.030 0.000 1.021 523 E CA 0.708 57.131 56.400 0.039 0.000 0.907 523 E CB 0.314 30.047 29.700 0.054 0.000 0.974 523 E HN 0.494 8.854 8.360 -0.000 0.000 0.489 524 G N 2.626 111.443 108.800 0.029 0.000 2.390 524 G HA2 -0.278 3.676 3.960 -0.010 0.000 0.299 524 G HA3 -0.278 3.676 3.960 -0.010 0.000 0.299 524 G C 0.197 175.111 174.900 0.023 0.000 1.002 524 G CA 0.484 45.597 45.100 0.023 0.000 0.979 524 G HN 0.227 8.517 8.290 -0.000 0.000 0.513 525 I N 0.462 121.051 120.570 0.031 0.000 2.378 525 I HA 0.336 4.500 4.170 -0.010 0.000 0.291 525 I C -1.957 174.190 176.117 0.050 0.000 0.992 525 I CA -2.700 58.619 61.300 0.031 0.000 1.154 525 I CB 2.130 40.151 38.000 0.036 0.000 1.315 525 I HN -0.082 8.128 8.210 -0.000 0.000 0.448 526 P HA 0.295 4.715 4.420 -0.000 0.000 0.277 526 P C -0.926 176.509 177.300 0.226 0.000 1.271 526 P CA -0.425 62.745 63.100 0.116 0.000 0.795 526 P CB 0.968 32.735 31.700 0.112 0.000 1.101 527 V N 0.441 120.510 119.914 0.257 0.000 2.531 527 V HA 0.174 4.288 4.120 -0.010 0.000 0.301 527 V C -0.044 176.014 176.094 -0.060 0.000 1.034 527 V CA -0.682 61.729 62.300 0.186 0.000 0.865 527 V CB 1.644 33.498 31.823 0.053 0.000 0.995 527 V HN 0.548 8.738 8.190 -0.000 0.000 0.424 528 D N 3.916 124.018 120.400 -0.496 0.000 2.502 528 D HA -0.021 4.613 4.640 -0.010 0.000 0.249 528 D C 0.452 176.512 176.300 -0.401 0.000 1.188 528 D CA 0.252 53.645 54.000 -1.011 0.000 0.890 528 D CB 1.019 41.342 40.800 -0.795 0.000 1.140 528 D HN 0.448 8.818 8.370 -0.000 0.000 0.505 529 Q N 1.611 121.229 119.800 -0.302 0.000 2.253 529 Q HA 0.001 4.335 4.340 -0.010 0.000 0.210 529 Q C 1.164 177.083 176.000 -0.135 0.000 0.907 529 Q CA 0.088 55.804 55.803 -0.144 0.000 0.948 529 Q CB 0.213 28.918 28.738 -0.056 0.000 1.033 529 Q HN 0.432 8.702 8.270 -0.000 0.000 0.471 530 S N -2.145 113.442 115.700 -0.188 0.000 2.568 530 S HA 0.239 4.702 4.470 -0.010 0.000 0.232 530 S C 0.388 174.913 174.600 -0.124 0.000 0.975 530 S CA -0.440 57.682 58.200 -0.129 0.000 0.949 530 S CB 0.469 63.596 63.200 -0.122 0.000 0.829 530 S HN -0.033 8.277 8.310 -0.000 0.000 0.479 531 V N 2.459 122.290 119.914 -0.138 0.000 2.357 531 V HA 0.708 4.822 4.120 -0.010 0.000 0.281 531 V C 0.526 176.552 176.094 -0.113 0.000 1.015 531 V CA -0.854 61.375 62.300 -0.118 0.000 0.827 531 V CB 0.457 32.212 31.823 -0.114 0.000 1.018 531 V HN 0.570 8.760 8.190 -0.000 0.000 0.432 532 A N 6.371 129.122 122.820 -0.115 0.000 2.507 532 A HA 0.700 5.014 4.320 -0.010 0.000 0.235 532 A C -0.078 177.448 177.584 -0.096 0.000 1.070 532 A CA 0.197 52.163 52.037 -0.118 0.000 0.768 532 A CB 0.299 19.226 19.000 -0.121 0.000 1.011 532 A HN 1.241 9.391 8.150 -0.000 0.000 0.502 533 M N 1.045 120.592 119.600 -0.088 0.000 2.470 533 M HA 0.731 5.205 4.480 -0.010 0.000 0.285 533 M C -0.865 175.399 176.300 -0.059 0.000 1.213 533 M CA -0.223 55.035 55.300 -0.070 0.000 0.901 533 M CB 2.328 34.892 32.600 -0.060 0.000 1.718 533 M HN 0.783 9.073 8.290 -0.000 0.000 0.469 534 T N 1.407 115.931 114.554 -0.050 0.000 3.012 534 T HA 0.884 5.228 4.350 -0.010 0.000 0.330 534 T C -0.852 173.829 174.700 -0.032 0.000 1.321 534 T CA 0.405 62.481 62.100 -0.040 0.000 1.067 534 T CB 1.700 70.543 68.868 -0.042 0.000 1.235 534 T HN 1.585 9.825 8.240 -0.000 0.000 0.479 535 G N 1.634 110.420 108.800 -0.024 0.000 2.315 535 G HA2 0.478 4.432 3.960 -0.010 0.000 0.294 535 G HA3 0.478 4.432 3.960 -0.010 0.000 0.294 535 G C -1.503 173.390 174.900 -0.012 0.000 1.300 535 G CA -0.533 44.556 45.100 -0.018 0.000 0.843 535 G HN 0.836 9.126 8.290 -0.000 0.000 0.527 536 S N -0.820 114.875 115.700 -0.008 0.000 2.509 536 S HA 0.639 5.103 4.470 -0.010 0.000 0.297 536 S C -0.620 173.980 174.600 -0.000 0.000 1.118 536 S CA -0.457 57.742 58.200 -0.002 0.000 1.074 536 S CB 1.608 64.808 63.200 -0.000 0.000 1.038 536 S HN 0.934 9.244 8.310 -0.000 0.000 0.498 537 L N 3.890 125.115 121.223 0.005 0.000 2.277 537 L HA 0.455 4.789 4.340 -0.010 0.000 0.284 537 L C 0.309 177.188 176.870 0.015 0.000 1.028 537 L CA -0.201 54.644 54.840 0.007 0.000 0.835 537 L CB 0.778 42.841 42.059 0.007 0.000 1.215 537 L HN 0.713 8.943 8.230 -0.000 0.000 0.425 538 S N 3.195 118.904 115.700 0.016 0.000 2.560 538 S HA 0.004 4.468 4.470 -0.010 0.000 0.284 538 S C 1.455 176.073 174.600 0.032 0.000 1.327 538 S CA 0.012 58.225 58.200 0.022 0.000 1.055 538 S CB 1.281 64.494 63.200 0.021 0.000 0.868 538 S HN 0.935 9.245 8.310 -0.000 0.000 0.506 539 V N 2.981 122.914 119.914 0.032 0.000 2.794 539 V HA -0.161 3.953 4.120 -0.010 0.000 0.260 539 V C 2.094 178.220 176.094 0.054 0.000 1.103 539 V CA 2.206 64.530 62.300 0.040 0.000 1.125 539 V CB -0.907 30.935 31.823 0.031 0.000 0.702 539 V HN 1.008 9.198 8.190 -0.000 0.000 0.494 540 K N -0.256 120.174 120.400 0.050 0.000 2.418 540 K HA 0.145 4.459 4.320 -0.010 0.000 0.195 540 K C 1.439 178.094 176.600 0.092 0.000 1.035 540 K CA 0.802 57.127 56.287 0.063 0.000 1.003 540 K CB -0.047 32.481 32.500 0.048 0.000 0.793 540 K HN 0.810 9.060 8.250 -0.000 0.000 0.494 541 G N 1.187 110.033 108.800 0.077 0.000 2.163 541 G HA2 -0.161 3.792 3.960 -0.010 0.000 0.213 541 G HA3 -0.161 3.792 3.960 -0.010 0.000 0.213 541 G C -0.388 174.531 174.900 0.031 0.000 0.991 541 G CA -0.290 44.855 45.100 0.075 0.000 0.653 541 G HN 0.245 8.535 8.290 -0.000 0.000 0.518 542 E N 0.289 120.506 120.200 0.028 0.000 2.360 542 E HA 0.448 4.792 4.350 -0.010 0.000 0.269 542 E C 0.456 177.056 176.600 0.001 0.000 1.022 542 E CA -0.312 56.095 56.400 0.013 0.000 0.887 542 E CB 1.510 31.219 29.700 0.015 0.000 0.990 542 E HN 0.173 8.533 8.360 -0.000 0.000 0.426 543 V N 5.655 125.564 119.914 -0.008 0.000 2.406 543 V HA 0.218 4.332 4.120 -0.010 0.000 0.272 543 V C 0.223 176.313 176.094 -0.007 0.000 1.043 543 V CA -0.309 61.984 62.300 -0.012 0.000 0.915 543 V CB 0.416 32.228 31.823 -0.019 0.000 0.988 543 V HN 0.413 8.603 8.190 -0.000 0.000 0.466 544 L N 7.998 129.217 121.223 -0.006 0.000 2.334 544 L HA 0.591 4.925 4.340 -0.010 0.000 0.272 544 L C -2.176 174.689 176.870 -0.008 0.000 1.020 544 L CA -2.126 52.711 54.840 -0.005 0.000 0.812 544 L CB 1.797 43.856 42.059 -0.001 0.000 1.264 544 L HN 0.382 8.612 8.230 -0.000 0.000 0.439 545 P HA 0.089 4.509 4.420 -0.000 0.000 0.268 545 P C -0.969 176.324 177.300 -0.011 0.000 1.208 545 P CA 0.029 63.122 63.100 -0.011 0.000 0.777 545 P CB 1.230 32.925 31.700 -0.008 0.000 0.875 546 V N -1.394 118.512 119.914 -0.014 0.000 3.204 546 V HA 0.801 4.915 4.120 -0.010 0.000 0.298 546 V C -0.306 175.778 176.094 -0.017 0.000 1.328 546 V CA -0.799 61.492 62.300 -0.015 0.000 1.035 546 V CB 1.587 33.400 31.823 -0.017 0.000 1.095 546 V HN 0.690 8.880 8.190 -0.000 0.000 0.442 547 G N 0.400 109.190 108.800 -0.017 0.000 2.432 547 G HA2 0.608 4.562 3.960 -0.010 0.000 0.257 547 G HA3 0.608 4.562 3.960 -0.010 0.000 0.257 547 G C 0.938 175.825 174.900 -0.022 0.000 1.238 547 G CA 0.078 45.167 45.100 -0.018 0.000 0.838 547 G HN 2.543 10.833 8.290 -0.000 0.000 0.547 548 G N 0.189 108.975 108.800 -0.023 0.000 2.183 548 G HA2 -0.175 3.779 3.960 -0.010 0.000 0.168 548 G HA3 -0.175 3.779 3.960 -0.010 0.000 0.168 548 G C 1.040 175.920 174.900 -0.032 0.000 1.008 548 G CA 0.402 45.486 45.100 -0.027 0.000 0.677 548 G HN 0.933 9.223 8.290 -0.000 0.000 0.498 549 V N 1.238 121.133 119.914 -0.032 0.000 2.232 549 V HA -0.236 3.878 4.120 -0.010 0.000 0.241 549 V C 2.891 178.960 176.094 -0.042 0.000 1.036 549 V CA 3.210 65.488 62.300 -0.036 0.000 0.993 549 V CB -1.608 30.195 31.823 -0.033 0.000 0.639 549 V HN 0.468 8.658 8.190 -0.000 0.000 0.459 550 T N -0.001 114.528 114.554 -0.042 0.000 2.567 550 T HA -0.403 3.941 4.350 -0.010 0.000 0.261 550 T C 1.888 176.551 174.700 -0.062 0.000 1.123 550 T CA 2.618 64.686 62.100 -0.054 0.000 1.166 550 T CB -0.541 68.295 68.868 -0.053 0.000 0.860 550 T HN 0.580 8.820 8.240 -0.000 0.000 0.436 551 Q N 0.724 120.492 119.800 -0.053 0.000 2.167 551 Q HA 0.046 4.380 4.340 -0.010 0.000 0.202 551 Q C 2.291 178.262 176.000 -0.047 0.000 0.970 551 Q CA 1.094 56.866 55.803 -0.051 0.000 0.855 551 Q CB -0.195 28.520 28.738 -0.038 0.000 0.911 551 Q HN 0.508 8.778 8.270 -0.000 0.000 0.438 552 K N 0.295 120.668 120.400 -0.045 0.000 2.057 552 K HA -0.051 4.263 4.320 -0.010 0.000 0.206 552 K C 1.884 178.451 176.600 -0.055 0.000 1.050 552 K CA 1.098 57.355 56.287 -0.049 0.000 0.935 552 K CB -0.138 32.333 32.500 -0.049 0.000 0.715 552 K HN 0.239 8.489 8.250 -0.000 0.000 0.439 553 I N 1.200 121.738 120.570 -0.054 0.000 2.614 553 I HA -0.218 3.946 4.170 -0.010 0.000 0.258 553 I C 1.829 177.918 176.117 -0.047 0.000 1.189 553 I CA 1.165 62.435 61.300 -0.051 0.000 1.462 553 I CB -0.229 37.743 38.000 -0.046 0.000 1.092 553 I HN 0.224 8.434 8.210 -0.000 0.000 0.442 554 E N 1.206 121.369 120.200 -0.061 0.000 2.051 554 E HA -0.105 4.239 4.350 -0.010 0.000 0.189 554 E C 2.442 179.028 176.600 -0.023 0.000 0.979 554 E CA 1.042 57.405 56.400 -0.061 0.000 0.803 554 E CB -0.181 29.463 29.700 -0.094 0.000 0.761 554 E HN 0.445 8.805 8.360 -0.000 0.000 0.451 555 A N 1.539 124.342 122.820 -0.029 0.000 1.997 555 A HA -0.243 4.071 4.320 -0.010 0.000 0.221 555 A C 2.292 179.860 177.584 -0.026 0.000 1.172 555 A CA 2.006 54.035 52.037 -0.014 0.000 0.645 555 A CB -0.630 18.355 19.000 -0.025 0.000 0.813 555 A HN 0.309 8.459 8.150 -0.000 0.000 0.454 556 A N -0.354 122.436 122.820 -0.051 0.000 1.843 556 A HA 0.091 4.405 4.320 -0.010 0.000 0.213 556 A C 2.063 179.632 177.584 -0.026 0.000 1.202 556 A CA 1.161 53.155 52.037 -0.072 0.000 0.607 556 A CB -0.600 18.351 19.000 -0.081 0.000 0.847 556 A HN 0.418 8.568 8.150 -0.000 0.000 0.445 557 I N -0.044 120.531 120.570 0.009 0.000 2.194 557 I HA -0.367 3.797 4.170 -0.010 0.000 0.246 557 I C 2.804 178.961 176.117 0.066 0.000 1.093 557 I CA 1.961 63.296 61.300 0.059 0.000 1.355 557 I CB -0.251 37.843 38.000 0.155 0.000 1.046 557 I HN 0.547 8.757 8.210 -0.000 0.000 0.413 558 Q N 0.784 120.623 119.800 0.065 0.000 2.096 558 Q HA -0.239 4.095 4.340 -0.010 0.000 0.204 558 Q C 2.249 178.291 176.000 0.070 0.000 0.982 558 Q CA 1.882 57.729 55.803 0.073 0.000 0.850 558 Q CB -0.117 28.665 28.738 0.075 0.000 0.901 558 Q HN 0.583 8.853 8.270 -0.000 0.000 0.422 559 A N -0.436 122.412 122.820 0.047 0.000 2.119 559 A HA 0.127 4.441 4.320 -0.010 0.000 0.217 559 A C 1.600 179.230 177.584 0.077 0.000 1.153 559 A CA 1.216 53.298 52.037 0.076 0.000 0.692 559 A CB -0.487 18.473 19.000 -0.066 0.000 0.799 559 A HN 0.692 8.842 8.150 -0.000 0.000 0.458 560 G N -1.820 107.000 108.800 0.034 0.000 2.141 560 G HA2 -0.182 3.772 3.960 -0.010 0.000 0.231 560 G HA3 -0.182 3.772 3.960 -0.010 0.000 0.231 560 G C 0.041 174.942 174.900 0.001 0.000 0.984 560 G CA 0.098 45.214 45.100 0.027 0.000 0.660 560 G HN 0.412 8.702 8.290 -0.000 0.000 0.525 561 L N 0.885 122.090 121.223 -0.030 0.000 2.360 561 L HA 0.269 4.603 4.340 -0.010 0.000 0.276 561 L C 1.907 178.747 176.870 -0.050 0.000 1.121 561 L CA -0.592 54.213 54.840 -0.059 0.000 0.845 561 L CB 0.775 42.766 42.059 -0.112 0.000 1.143 561 L HN 0.052 8.282 8.230 -0.000 0.000 0.452 562 K N 2.705 123.076 120.400 -0.049 0.000 2.097 562 K HA -0.030 4.284 4.320 -0.010 0.000 0.205 562 K C 0.018 176.589 176.600 -0.048 0.000 1.050 562 K CA 1.193 57.455 56.287 -0.040 0.000 0.938 562 K CB 0.042 32.521 32.500 -0.035 0.000 0.718 562 K HN 0.524 8.774 8.250 -0.000 0.000 0.442 563 K N -0.197 120.164 120.400 -0.065 0.000 2.512 563 K HA 0.442 4.756 4.320 -0.010 0.000 0.263 563 K C -1.494 175.055 176.600 -0.085 0.000 0.966 563 K CA -0.710 55.532 56.287 -0.074 0.000 0.851 563 K CB 3.143 35.590 32.500 -0.088 0.000 1.395 563 K HN -0.167 8.083 8.250 -0.000 0.000 0.440 564 V N 2.671 122.534 119.914 -0.085 0.000 2.623 564 V HA 0.491 4.605 4.120 -0.010 0.000 0.304 564 V C -1.266 174.774 176.094 -0.091 0.000 1.054 564 V CA -0.746 61.503 62.300 -0.085 0.000 0.882 564 V CB 1.262 33.040 31.823 -0.075 0.000 1.002 564 V HN 0.698 8.888 8.190 -0.000 0.000 0.424 565 I N 7.835 128.350 120.570 -0.092 0.000 2.471 565 I HA 0.383 4.547 4.170 -0.010 0.000 0.286 565 I C 0.193 176.274 176.117 -0.061 0.000 1.079 565 I CA 0.109 61.358 61.300 -0.084 0.000 1.398 565 I CB 0.832 38.791 38.000 -0.068 0.000 1.403 565 I HN 0.638 8.848 8.210 -0.000 0.000 0.530 566 I N 4.928 125.466 120.570 -0.052 0.000 2.892 566 I HA 0.643 4.807 4.170 -0.010 0.000 0.306 566 I C -2.787 173.312 176.117 -0.031 0.000 1.078 566 I CA -2.945 58.331 61.300 -0.041 0.000 1.032 566 I CB 1.919 39.895 38.000 -0.039 0.000 1.229 566 I HN 0.181 8.391 8.210 -0.000 0.000 0.435 567 P HA 0.033 4.453 4.420 -0.000 0.000 0.268 567 P C 0.062 177.352 177.300 -0.017 0.000 1.204 567 P CA -0.253 62.836 63.100 -0.018 0.000 0.768 567 P CB 0.487 32.177 31.700 -0.016 0.000 0.842 568 K N 2.928 123.321 120.400 -0.012 0.000 2.442 568 K HA -0.143 4.171 4.320 -0.010 0.000 0.198 568 K C 0.515 177.109 176.600 -0.010 0.000 1.042 568 K CA 1.580 57.860 56.287 -0.011 0.000 0.958 568 K CB -0.957 31.539 32.500 -0.005 0.000 0.766 568 K HN 0.193 8.443 8.250 -0.000 0.000 0.474 569 D N 1.130 121.524 120.400 -0.009 0.000 2.269 569 D HA -0.037 4.597 4.640 -0.010 0.000 0.208 569 D C 0.660 176.954 176.300 -0.011 0.000 0.963 569 D CA 0.768 54.763 54.000 -0.008 0.000 0.864 569 D CB -0.131 40.665 40.800 -0.007 0.000 0.936 569 D HN 0.475 8.845 8.370 -0.000 0.000 0.505 570 N N -0.423 118.269 118.700 -0.014 0.000 2.314 570 N HA 0.026 4.759 4.740 -0.010 0.000 0.200 570 N C 0.847 176.347 175.510 -0.017 0.000 1.135 570 N CA -0.309 52.732 53.050 -0.016 0.000 0.835 570 N CB 0.436 38.911 38.487 -0.019 0.000 0.989 570 N HN -0.004 8.376 8.380 -0.000 0.000 0.478 571 I N 1.989 122.549 120.570 -0.016 0.000 2.194 571 I HA -0.300 3.864 4.170 -0.010 0.000 0.246 571 I C 2.034 178.142 176.117 -0.014 0.000 1.093 571 I CA 1.495 62.786 61.300 -0.015 0.000 1.355 571 I CB -0.807 37.186 38.000 -0.012 0.000 1.046 571 I HN 0.368 8.578 8.210 -0.000 0.000 0.413 572 D N -0.607 119.786 120.400 -0.012 0.000 2.317 572 D HA -0.146 4.488 4.640 -0.010 0.000 0.211 572 D C 1.060 177.353 176.300 -0.013 0.000 0.966 572 D CA 0.680 54.674 54.000 -0.011 0.000 0.876 572 D CB -0.477 40.318 40.800 -0.009 0.000 0.927 572 D HN 0.400 8.770 8.370 -0.000 0.000 0.519 573 D N 0.827 121.218 120.400 -0.015 0.000 2.347 573 D HA 0.002 4.636 4.640 -0.010 0.000 0.213 573 D C 0.441 176.729 176.300 -0.021 0.000 0.985 573 D CA 0.110 54.100 54.000 -0.017 0.000 0.879 573 D CB 1.010 41.799 40.800 -0.018 0.000 0.919 573 D HN 0.103 8.473 8.370 -0.000 0.000 0.526 574 V N 3.438 123.339 119.914 -0.021 0.000 2.364 574 V HA 0.015 4.129 4.120 -0.010 0.000 0.252 574 V C 0.494 176.575 176.094 -0.021 0.000 1.075 574 V CA 0.028 62.314 62.300 -0.024 0.000 1.033 574 V CB 0.358 32.167 31.823 -0.023 0.000 1.116 574 V HN 0.070 8.260 8.190 -0.000 0.000 0.488 575 L N 6.254 127.462 121.223 -0.025 0.000 2.334 575 L HA 0.647 4.981 4.340 -0.010 0.000 0.277 575 L C -0.178 176.674 176.870 -0.031 0.000 1.075 575 L CA -0.048 54.778 54.840 -0.023 0.000 0.804 575 L CB 1.561 43.606 42.059 -0.023 0.000 1.174 575 L HN 0.508 8.738 8.230 -0.000 0.000 0.438 576 L N 2.360 123.572 121.223 -0.019 0.000 2.591 576 L HA 0.293 4.627 4.340 -0.010 0.000 0.257 576 L C -0.917 175.966 176.870 0.022 0.000 0.935 576 L CA -0.605 54.227 54.840 -0.013 0.000 0.873 576 L CB 3.115 45.176 42.059 0.002 0.000 1.397 576 L HN 0.519 8.749 8.230 -0.000 0.000 0.414 577 D N 1.708 122.146 120.400 0.064 0.000 2.264 577 D HA 0.368 5.002 4.640 -0.010 0.000 0.250 577 D C 0.921 177.272 176.300 0.085 0.000 1.113 577 D CA 0.799 54.852 54.000 0.088 0.000 0.871 577 D CB 2.182 43.063 40.800 0.134 0.000 1.167 577 D HN 0.719 9.089 8.370 -0.000 0.000 0.447 578 A N 4.977 127.824 122.820 0.045 0.000 1.818 578 A HA -0.414 3.900 4.320 -0.010 0.000 0.310 578 A C 1.794 179.389 177.584 0.019 0.000 3.572 578 A CA 3.302 55.355 52.037 0.027 0.000 0.984 578 A CB -1.418 17.593 19.000 0.018 0.000 0.719 578 A HN 0.838 8.988 8.150 -0.000 0.000 0.500 579 E N -1.442 118.762 120.200 0.007 0.000 2.110 579 E HA -0.218 4.126 4.350 -0.010 0.000 0.193 579 E C 1.673 178.224 176.600 -0.081 0.000 0.988 579 E CA 1.868 58.240 56.400 -0.047 0.000 0.804 579 E CB -0.623 29.029 29.700 -0.080 0.000 0.745 579 E HN 0.856 9.216 8.360 -0.000 0.000 0.458 580 H N 0.303 119.368 119.070 -0.007 0.000 2.495 580 H HA 0.121 4.671 4.556 -0.010 0.000 0.287 580 H C 1.057 176.377 175.328 -0.013 0.000 1.033 580 H CA 0.883 56.925 56.048 -0.009 0.000 1.307 580 H CB 0.199 29.956 29.762 -0.009 0.000 1.401 580 H HN 0.253 8.533 8.280 -0.000 0.000 0.555 581 E N -0.790 119.462 120.200 0.088 0.000 4.521 581 E HA -0.012 4.332 4.350 -0.010 0.000 0.562 581 E C 1.795 178.407 176.600 0.019 0.000 1.127 581 E CA 0.431 56.856 56.400 0.041 0.000 3.733 581 E CB -0.105 29.609 29.700 0.022 0.000 1.950 581 E HN 0.400 8.760 8.360 -0.000 0.000 0.434 582 G N 0.110 108.913 108.800 0.004 0.000 2.650 582 G HA2 -0.426 3.527 3.960 -0.010 0.000 0.246 582 G HA3 -0.426 3.527 3.960 -0.010 0.000 0.246 582 G C 0.958 175.853 174.900 -0.008 0.000 0.999 582 G CA 1.890 46.987 45.100 -0.006 0.000 0.671 582 G HN 0.392 8.682 8.290 -0.000 0.000 0.579 583 K N -0.864 119.535 120.400 -0.002 0.000 2.354 583 K HA 0.559 4.872 4.320 -0.010 0.000 0.194 583 K C 0.602 177.202 176.600 0.000 0.000 1.038 583 K CA 0.099 56.383 56.287 -0.005 0.000 1.052 583 K CB 1.203 33.696 32.500 -0.013 0.000 0.861 583 K HN 0.451 8.701 8.250 -0.000 0.000 0.535 584 I N 1.064 121.635 120.570 0.002 0.000 2.686 584 I HA 0.121 4.285 4.170 -0.010 0.000 0.295 584 I C -1.181 174.922 176.117 -0.024 0.000 1.114 584 I CA -0.759 60.534 61.300 -0.012 0.000 1.038 584 I CB 2.559 40.553 38.000 -0.010 0.000 1.238 584 I HN -0.057 8.153 8.210 -0.000 0.000 0.420 585 E N 5.859 126.036 120.200 -0.038 0.000 2.070 585 E HA 0.244 4.588 4.350 -0.010 0.000 0.282 585 E C -1.093 175.468 176.600 -0.065 0.000 1.104 585 E CA -0.378 55.991 56.400 -0.051 0.000 0.876 585 E CB 1.101 30.764 29.700 -0.062 0.000 1.055 585 E HN 0.306 8.666 8.360 -0.000 0.000 0.401 586 V N 6.433 126.314 119.914 -0.056 0.000 2.432 586 V HA 0.293 4.407 4.120 -0.010 0.000 0.271 586 V C 0.363 176.410 176.094 -0.077 0.000 1.046 586 V CA -0.221 62.043 62.300 -0.061 0.000 0.945 586 V CB 0.618 32.415 31.823 -0.043 0.000 0.992 586 V HN 0.523 8.713 8.190 -0.000 0.000 0.471 587 I N 6.996 127.504 120.570 -0.103 0.000 2.465 587 I HA 0.454 4.618 4.170 -0.010 0.000 0.291 587 I C -2.681 173.381 176.117 -0.092 0.000 1.014 587 I CA -2.166 59.055 61.300 -0.132 0.000 1.093 587 I CB 2.883 40.730 38.000 -0.254 0.000 1.267 587 I HN 0.425 8.635 8.210 -0.000 0.000 0.431 588 P HA 0.336 4.756 4.420 -0.000 0.000 0.288 588 P C -1.110 176.191 177.300 0.001 0.000 1.267 588 P CA -0.426 62.660 63.100 -0.024 0.000 0.815 588 P CB 1.454 33.146 31.700 -0.012 0.000 0.989 589 V N -0.588 119.327 119.914 0.002 0.000 3.078 589 V HA 0.673 4.786 4.120 -0.010 0.000 0.311 589 V C 0.194 176.288 176.094 -0.001 0.000 1.138 589 V CA -0.406 61.904 62.300 0.015 0.000 1.007 589 V CB 1.792 33.630 31.823 0.024 0.000 1.045 589 V HN 0.409 8.599 8.190 -0.000 0.000 0.432 590 S N 0.854 116.551 115.700 -0.005 0.000 2.830 590 S HA 0.382 4.846 4.470 -0.010 0.000 0.249 590 S C 0.672 175.262 174.600 -0.017 0.000 1.084 590 S CA -0.205 57.990 58.200 -0.009 0.000 0.852 590 S CB 0.164 63.362 63.200 -0.004 0.000 0.802 590 S HN 0.800 9.110 8.310 -0.000 0.000 0.481 591 R N 0.516 120.998 120.500 -0.030 0.000 2.607 591 R HA 0.518 4.852 4.340 -0.010 0.000 0.261 591 R C 1.022 177.269 176.300 -0.088 0.000 1.051 591 R CA -0.398 55.671 56.100 -0.052 0.000 1.110 591 R CB 0.455 30.715 30.300 -0.066 0.000 1.158 591 R HN 0.134 8.404 8.270 -0.000 0.000 0.543 592 I N 1.510 122.006 120.570 -0.124 0.000 2.439 592 I HA -0.215 3.949 4.170 -0.010 0.000 0.251 592 I C 1.604 177.523 176.117 -0.330 0.000 1.139 592 I CA 1.453 62.642 61.300 -0.185 0.000 1.438 592 I CB -0.181 37.712 38.000 -0.177 0.000 1.085 592 I HN 0.704 8.914 8.210 -0.000 0.000 0.427 593 N N 0.841 119.270 118.700 -0.452 0.000 2.443 593 N HA -0.252 4.482 4.740 -0.010 0.000 0.184 593 N C 1.111 176.405 175.510 -0.360 0.000 1.037 593 N CA 1.546 54.195 53.050 -0.668 0.000 0.896 593 N CB -0.564 37.566 38.487 -0.594 0.000 0.959 593 N HN 0.610 8.990 8.380 -0.000 0.000 0.442 594 E N 0.214 120.277 120.200 -0.227 0.000 2.481 594 E HA 0.056 4.400 4.350 -0.010 0.000 0.195 594 E C 1.572 178.133 176.600 -0.066 0.000 1.047 594 E CA 0.090 56.398 56.400 -0.154 0.000 0.867 594 E CB 0.355 30.007 29.700 -0.080 0.000 0.858 594 E HN 0.179 8.539 8.360 -0.000 0.000 0.513 595 V N 0.941 120.805 119.914 -0.083 0.000 2.575 595 V HA -0.126 3.988 4.120 -0.010 0.000 0.242 595 V C 2.129 178.206 176.094 -0.028 0.000 1.045 595 V CA 0.831 63.118 62.300 -0.021 0.000 1.065 595 V CB -0.301 31.492 31.823 -0.050 0.000 0.717 595 V HN 0.209 8.399 8.190 -0.000 0.000 0.467 596 L N -0.000 121.162 121.223 -0.101 0.000 1.989 596 L HA -0.240 4.094 4.340 -0.010 0.000 0.211 596 L C 2.519 179.365 176.870 -0.040 0.000 1.071 596 L CA 2.022 56.819 54.840 -0.072 0.000 0.749 596 L CB -0.798 41.188 42.059 -0.122 0.000 0.890 596 L HN 0.315 8.545 8.230 -0.000 0.000 0.431 597 E N -0.738 119.402 120.200 -0.101 0.000 2.164 597 E HA -0.308 4.036 4.350 -0.010 0.000 0.206 597 E C 1.976 178.547 176.600 -0.048 0.000 1.032 597 E CA 1.954 58.285 56.400 -0.115 0.000 0.832 597 E CB -0.105 29.437 29.700 -0.263 0.000 0.742 597 E HN 0.588 8.948 8.360 -0.000 0.000 0.460 598 H N -2.175 116.881 119.070 -0.024 0.000 2.582 598 H HA 0.044 4.594 4.556 -0.010 0.000 0.269 598 H C 1.870 177.200 175.328 0.004 0.000 0.962 598 H CA 0.579 56.620 56.048 -0.012 0.000 1.230 598 H CB 0.853 30.596 29.762 -0.031 0.000 1.445 598 H HN 0.131 8.411 8.280 -0.000 0.000 0.528 599 V N -1.421 118.565 119.914 0.119 0.000 3.048 599 V HA 0.188 4.302 4.120 -0.010 0.000 0.241 599 V C 0.696 176.882 176.094 0.153 0.000 1.129 599 V CA -0.040 62.307 62.300 0.079 0.000 1.128 599 V CB 0.000 31.838 31.823 0.024 0.000 0.849 599 V HN 0.043 8.233 8.190 -0.000 0.000 0.475 600 L N 2.732 124.037 121.223 0.137 0.000 2.490 600 L HA 0.188 4.522 4.340 -0.010 0.000 0.274 600 L C 0.741 177.731 176.870 0.200 0.000 1.201 600 L CA 0.418 55.347 54.840 0.149 0.000 0.869 600 L CB 0.433 42.535 42.059 0.072 0.000 1.123 600 L HN 0.548 8.778 8.230 -0.000 0.000 0.484 601 E N 2.376 122.674 120.200 0.163 0.000 2.481 601 E HA -0.068 4.275 4.350 -0.010 0.000 0.263 601 E C -0.846 175.670 176.600 -0.140 0.000 0.992 601 E CA -0.235 56.037 56.400 -0.212 0.000 0.938 601 E CB 0.563 30.032 29.700 -0.385 0.000 0.933 601 E HN 0.482 8.842 8.360 -0.000 0.000 0.453 602 D N 1.825 122.118 120.400 -0.178 0.000 2.283 602 D HA 0.661 5.295 4.640 -0.010 0.000 0.248 602 D C 0.006 176.247 176.300 -0.098 0.000 1.072 602 D CA -0.095 53.850 54.000 -0.091 0.000 0.929 602 D CB 1.668 42.436 40.800 -0.054 0.000 1.182 602 D HN 0.623 8.993 8.370 -0.000 0.000 0.433 603 G N -0.134 108.631 108.800 -0.058 0.000 2.340 603 G HA2 0.134 4.088 3.960 -0.010 0.000 0.300 603 G HA3 0.134 4.088 3.960 -0.010 0.000 0.300 603 G C -0.028 174.855 174.900 -0.029 0.000 1.488 603 G CA -0.874 44.197 45.100 -0.050 0.000 0.878 603 G HN 0.383 8.673 8.290 -0.000 0.000 0.618 604 K N 0.225 120.611 120.400 -0.023 0.000 2.097 604 K HA 0.037 4.350 4.320 -0.010 0.000 0.205 604 K C 2.435 179.030 176.600 -0.008 0.000 1.050 604 K CA 1.800 58.079 56.287 -0.014 0.000 0.938 604 K CB -0.054 32.438 32.500 -0.013 0.000 0.718 604 K HN 0.302 8.552 8.250 -0.000 0.000 0.442 605 K N 0.963 121.358 120.400 -0.009 0.000 2.001 605 K HA -0.226 4.088 4.320 -0.010 0.000 0.214 605 K C 2.075 178.681 176.600 0.009 0.000 1.050 605 K CA 1.787 58.074 56.287 -0.000 0.000 0.934 605 K CB -0.421 32.079 32.500 -0.000 0.000 0.718 605 K HN 0.249 8.499 8.250 -0.000 0.000 0.443 606 K N 1.048 121.450 120.400 0.005 0.000 2.044 606 K HA -0.157 4.157 4.320 -0.010 0.000 0.210 606 K C 1.590 178.203 176.600 0.022 0.000 1.049 606 K CA 1.728 58.025 56.287 0.017 0.000 0.927 606 K CB -0.060 32.441 32.500 0.003 0.000 0.713 606 K HN 0.140 8.390 8.250 -0.000 0.000 0.443 607 N N 0.623 119.328 118.700 0.008 0.000 2.381 607 N HA -0.159 4.575 4.740 -0.010 0.000 0.182 607 N C 1.754 177.272 175.510 0.013 0.000 1.025 607 N CA 0.919 53.974 53.050 0.009 0.000 0.888 607 N CB -0.186 38.301 38.487 -0.000 0.000 0.965 607 N HN 0.219 8.599 8.380 -0.000 0.000 0.438 608 R N 0.641 121.148 120.500 0.011 0.000 2.055 608 R HA 0.100 4.434 4.340 -0.010 0.000 0.226 608 R C 2.128 178.430 176.300 0.003 0.000 1.135 608 R CA 0.392 56.494 56.100 0.003 0.000 0.959 608 R CB -0.529 29.770 30.300 -0.002 0.000 0.854 608 R HN 0.094 8.364 8.270 -0.000 0.000 0.431 609 L N -0.035 121.201 121.223 0.023 0.000 2.083 609 L HA -0.112 4.222 4.340 -0.010 0.000 0.209 609 L C 1.711 178.653 176.870 0.120 0.000 1.083 609 L CA 1.736 56.604 54.840 0.046 0.000 0.752 609 L CB -0.289 41.834 42.059 0.106 0.000 0.899 609 L HN 0.245 8.475 8.230 -0.000 0.000 0.433 610 M N -1.187 118.487 119.600 0.124 0.000 2.279 610 M HA -0.114 4.360 4.480 -0.010 0.000 0.264 610 M C 2.508 178.883 176.300 0.126 0.000 1.062 610 M CA 1.419 56.819 55.300 0.166 0.000 1.099 610 M CB -1.527 31.113 32.600 0.067 0.000 1.394 610 M HN 0.408 8.698 8.290 -0.000 0.000 0.426 611 S N -0.058 115.671 115.700 0.047 0.000 2.481 611 S HA -0.050 4.414 4.470 -0.010 0.000 0.231 611 S C 1.801 176.388 174.600 -0.022 0.000 0.996 611 S CA 0.724 58.934 58.200 0.017 0.000 0.942 611 S CB 0.048 63.251 63.200 0.004 0.000 0.768 611 S HN 0.410 8.720 8.310 -0.000 0.000 0.520 612 K N 0.464 120.794 120.400 -0.117 0.000 2.062 612 K HA -0.014 4.300 4.320 -0.010 0.000 0.205 612 K C 0.120 176.583 176.600 -0.227 0.000 1.051 612 K CA 0.578 56.735 56.287 -0.216 0.000 0.941 612 K CB -0.487 31.822 32.500 -0.319 0.000 0.719 612 K HN 0.393 8.643 8.250 -0.000 0.000 0.440 613 F N 3.124 122.976 119.950 -0.164 0.000 2.636 613 F HA 0.020 4.541 4.527 -0.011 0.000 0.338 613 F C 0.806 176.482 175.800 -0.206 0.000 1.305 613 F CA 0.561 58.244 58.000 -0.527 0.000 1.138 613 F CB -0.629 38.061 39.000 -0.517 0.000 1.579 613 F HN -0.139 8.161 8.300 -0.000 0.000 0.679 614 K N 0.000 120.490 120.400 0.151 0.000 2.780 614 K HA 0.000 4.314 4.320 -0.010 0.000 0.191 614 K CA 0.000 56.369 56.287 0.136 0.000 0.838 614 K CB 0.000 32.558 32.500 0.097 0.000 1.064 614 K HN 0.000 8.250 8.250 -0.000 0.000 0.543