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 3a1d_1_A DATA FIRST_RESID 400 DATA SEQUENCE AELGILIKNA DALEVAEKVT AVIFDKTGTL TKGKPEVTDL VPLNGDEREL DATA SEQUENCE LRLAAIAERR SEHPIAEAIV KKALEHGIEL GEPEKVEVIA GEGVVADGIL DATA SEQUENCE VGNKRLMEDF GVAVSNEVEL ALEKLEREAK TAVIVARNGR VEGIIAVSDT DATA SEQUENCE LKESAKPAVQ ELKRMGIKVG MITGDNWRSA EAISRELNLD LVIAEVLPHQ DATA SEQUENCE KSEEVKKLQA KEVVAFVGDG INDAPALAQA DLGIAVGSGS DVAVESGDIV DATA SEQUENCE LIRDDLRDVV AAIQLSRK 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 400 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 400 A C 0.000 177.583 177.584 -0.002 0.000 1.274 400 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 400 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 401 E N 0.856 121.055 120.200 -0.001 0.000 2.319 401 E HA 0.454 4.804 4.350 -0.000 0.000 0.268 401 E C 0.032 176.632 176.600 0.000 0.000 1.050 401 E CA -0.914 55.486 56.400 -0.000 0.000 0.878 401 E CB 1.465 31.165 29.700 0.000 0.000 1.066 401 E HN 0.714 9.074 8.360 -0.000 0.000 0.406 402 L N 1.670 122.894 121.223 0.001 0.000 2.593 402 L HA 0.125 4.465 4.340 -0.000 0.000 0.287 402 L C 0.019 176.890 176.870 0.002 0.000 1.243 402 L CA 1.249 56.090 54.840 0.002 0.000 0.890 402 L CB 0.098 42.158 42.059 0.002 0.000 1.134 402 L HN 0.576 8.806 8.230 -0.000 0.000 0.502 403 G N 6.348 115.150 108.800 0.003 0.000 2.719 403 G HA2 0.549 4.508 3.960 -0.000 0.000 0.284 403 G HA3 0.549 4.508 3.960 -0.000 0.000 0.284 403 G C -1.177 173.725 174.900 0.004 0.000 1.488 403 G CA -0.510 44.592 45.100 0.003 0.000 1.139 403 G HN 0.611 8.901 8.290 -0.000 0.000 0.552 404 I N 3.105 123.677 120.570 0.003 0.000 2.371 404 I HA 0.223 4.393 4.170 -0.000 0.000 0.282 404 I C -0.466 175.652 176.117 0.003 0.000 1.031 404 I CA -0.740 60.562 61.300 0.003 0.000 1.180 404 I CB 1.767 39.769 38.000 0.003 0.000 1.336 404 I HN 0.274 8.484 8.210 -0.000 0.000 0.467 405 L N 8.304 129.529 121.223 0.003 0.000 2.295 405 L HA 0.401 4.741 4.340 -0.000 0.000 0.288 405 L C -0.238 176.634 176.870 0.003 0.000 1.079 405 L CA -0.018 54.824 54.840 0.003 0.000 0.830 405 L CB 0.150 42.211 42.059 0.004 0.000 1.200 405 L HN 0.328 8.558 8.230 -0.000 0.000 0.438 406 I N 5.742 126.314 120.570 0.003 0.000 2.337 406 I HA 0.149 4.319 4.170 -0.000 0.000 0.291 406 I C 0.963 177.082 176.117 0.003 0.000 1.046 406 I CA 0.159 61.461 61.300 0.002 0.000 1.324 406 I CB 0.887 38.888 38.000 0.002 0.000 1.409 406 I HN 0.705 8.915 8.210 -0.000 0.000 0.494 407 K N 3.886 124.288 120.400 0.003 0.000 2.353 407 K HA 0.142 4.462 4.320 -0.000 0.000 0.195 407 K C 0.444 177.046 176.600 0.003 0.000 1.031 407 K CA 0.073 56.363 56.287 0.004 0.000 1.079 407 K CB 0.590 33.093 32.500 0.005 0.000 0.857 407 K HN 0.483 8.733 8.250 -0.000 0.000 0.535 408 N N 0.124 118.826 118.700 0.003 0.000 2.454 408 N HA 0.178 4.918 4.740 -0.000 0.000 0.291 408 N C -0.168 175.342 175.510 0.001 0.000 1.079 408 N CA 0.011 53.062 53.050 0.002 0.000 0.893 408 N CB 1.978 40.466 38.487 0.002 0.000 1.512 408 N HN -0.038 8.342 8.380 -0.000 0.000 0.497 409 A N 2.324 125.144 122.820 0.001 0.000 2.131 409 A HA -0.100 4.220 4.320 -0.000 0.000 0.220 409 A C 0.867 178.451 177.584 0.000 0.000 1.158 409 A CA 1.267 53.305 52.037 0.001 0.000 0.665 409 A CB 0.001 19.002 19.000 0.001 0.000 0.795 409 A HN 0.720 8.870 8.150 -0.000 0.000 0.460 410 D N -0.849 119.552 120.400 0.000 0.000 2.395 410 D HA 0.331 4.970 4.640 -0.000 0.000 0.213 410 D C 1.801 178.100 176.300 -0.000 0.000 1.110 410 D CA 0.721 54.721 54.000 -0.000 0.000 0.835 410 D CB 0.275 41.075 40.800 -0.000 0.000 0.965 410 D HN 0.405 8.775 8.370 -0.000 0.000 0.505 411 A N 0.958 123.778 122.820 -0.000 0.000 1.908 411 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 411 A C 2.201 179.783 177.584 -0.002 0.000 1.181 411 A CA 0.985 53.022 52.037 -0.001 0.000 0.627 411 A CB -0.566 18.434 19.000 -0.000 0.000 0.818 411 A HN 0.227 8.377 8.150 -0.000 0.000 0.445 412 L N -1.051 120.171 121.223 -0.002 0.000 2.156 412 L HA -0.134 4.206 4.340 -0.000 0.000 0.208 412 L C 2.502 179.371 176.870 -0.002 0.000 1.095 412 L CA 1.155 55.994 54.840 -0.002 0.000 0.770 412 L CB -0.642 41.417 42.059 -0.001 0.000 0.914 412 L HN 0.480 8.710 8.230 -0.000 0.000 0.439 413 E N 0.066 120.265 120.200 -0.001 0.000 2.051 413 E HA -0.188 4.162 4.350 -0.000 0.000 0.192 413 E C 2.284 178.883 176.600 -0.002 0.000 0.991 413 E CA 1.377 57.777 56.400 -0.001 0.000 0.799 413 E CB -0.105 29.595 29.700 -0.001 0.000 0.748 413 E HN 0.262 8.622 8.360 -0.000 0.000 0.449 414 V N 1.576 121.489 119.914 -0.002 0.000 2.295 414 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 414 V C 2.404 178.495 176.094 -0.005 0.000 1.049 414 V CA 1.848 64.146 62.300 -0.003 0.000 1.024 414 V CB -0.861 30.960 31.823 -0.003 0.000 0.648 414 V HN 0.320 8.510 8.190 -0.000 0.000 0.447 415 A N -0.296 122.520 122.820 -0.006 0.000 1.948 415 A HA -0.322 3.998 4.320 -0.000 0.000 0.220 415 A C 2.281 179.861 177.584 -0.007 0.000 1.177 415 A CA 2.173 54.205 52.037 -0.009 0.000 0.636 415 A CB -0.601 18.393 19.000 -0.009 0.000 0.815 415 A HN 0.658 8.808 8.150 -0.000 0.000 0.449 416 E N -0.185 120.013 120.200 -0.004 0.000 2.160 416 E HA -0.191 4.159 4.350 -0.000 0.000 0.195 416 E C 1.577 178.176 176.600 -0.002 0.000 0.991 416 E CA 1.391 57.790 56.400 -0.002 0.000 0.810 416 E CB -0.054 29.645 29.700 -0.001 0.000 0.742 416 E HN 0.647 9.007 8.360 -0.000 0.000 0.466 417 K N -0.033 120.366 120.400 -0.002 0.000 2.367 417 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 417 K C -0.028 176.571 176.600 -0.002 0.000 1.027 417 K CA -0.180 56.106 56.287 -0.001 0.000 1.075 417 K CB 1.029 33.529 32.500 -0.001 0.000 0.845 417 K HN -0.043 8.207 8.250 -0.000 0.000 0.529 418 V N 2.775 122.686 119.914 -0.006 0.000 2.557 418 V HA -0.098 4.022 4.120 -0.000 0.000 0.301 418 V C 1.536 177.627 176.094 -0.006 0.000 1.026 418 V CA 1.069 63.364 62.300 -0.009 0.000 1.137 418 V CB 0.917 32.729 31.823 -0.019 0.000 0.917 418 V HN 0.457 8.647 8.190 -0.000 0.000 0.484 419 T N 1.138 115.690 114.554 -0.003 0.000 2.971 419 T HA 0.536 4.886 4.350 -0.000 0.000 0.252 419 T C 0.336 175.038 174.700 0.003 0.000 1.022 419 T CA 0.455 62.557 62.100 0.002 0.000 0.980 419 T CB 0.514 69.385 68.868 0.005 0.000 1.044 419 T HN 0.973 9.213 8.240 -0.000 0.000 0.501 420 A N 0.797 123.615 122.820 -0.004 0.000 2.459 420 A HA 0.705 5.025 4.320 -0.000 0.000 0.296 420 A C -1.198 176.364 177.584 -0.036 0.000 1.039 420 A CA -0.626 51.408 52.037 -0.005 0.000 0.698 420 A CB 1.948 20.954 19.000 0.010 0.000 1.261 420 A HN 0.223 8.373 8.150 -0.000 0.000 0.405 421 V N 4.138 124.014 119.914 -0.063 0.000 2.417 421 V HA 0.446 4.566 4.120 -0.000 0.000 0.291 421 V C -0.652 175.314 176.094 -0.214 0.000 1.024 421 V CA -0.471 61.715 62.300 -0.191 0.000 0.861 421 V CB 1.411 33.077 31.823 -0.262 0.000 0.985 421 V HN 0.711 8.901 8.190 -0.000 0.000 0.436 422 I N 5.315 125.732 120.570 -0.255 0.000 2.382 422 I HA 0.451 4.621 4.170 -0.000 0.000 0.286 422 I C -0.463 175.404 176.117 -0.416 0.000 1.002 422 I CA -0.424 60.785 61.300 -0.152 0.000 1.135 422 I CB 1.302 39.336 38.000 0.057 0.000 1.288 422 I HN 0.389 8.599 8.210 -0.000 0.000 0.448 423 F N 3.450 123.282 119.950 -0.197 0.000 2.394 423 F HA 0.231 4.758 4.527 -0.000 0.000 0.340 423 F C 0.890 176.520 175.800 -0.284 0.000 1.105 423 F CA -0.556 57.267 58.000 -0.296 0.000 1.124 423 F CB 0.839 39.734 39.000 -0.175 0.000 1.145 423 F HN 0.427 8.727 8.300 -0.000 0.000 0.505 424 D N 2.679 122.934 120.400 -0.241 0.000 2.390 424 D HA 0.055 4.695 4.640 -0.000 0.000 0.249 424 D C 1.050 177.352 176.300 0.004 0.000 1.144 424 D CA 0.048 54.015 54.000 -0.056 0.000 0.880 424 D CB 0.989 41.784 40.800 -0.008 0.000 1.182 424 D HN 0.577 8.947 8.370 -0.000 0.000 0.451 425 K N 2.092 122.497 120.400 0.008 0.000 1.984 425 K HA -0.065 4.255 4.320 -0.000 0.000 0.209 425 K C 0.222 176.805 176.600 -0.028 0.000 1.046 425 K CA 0.789 57.066 56.287 -0.017 0.000 0.934 425 K CB -0.082 32.400 32.500 -0.029 0.000 0.717 425 K HN 0.424 8.674 8.250 -0.000 0.000 0.438 426 T N 0.333 114.873 114.554 -0.024 0.000 2.888 426 T HA 0.262 4.612 4.350 -0.000 0.000 0.301 426 T C 0.696 175.376 174.700 -0.034 0.000 1.001 426 T CA 0.524 62.600 62.100 -0.039 0.000 1.147 426 T CB 0.983 69.817 68.868 -0.057 0.000 0.931 426 T HN 0.666 8.906 8.240 -0.000 0.000 0.541 427 G N 3.729 112.504 108.800 -0.042 0.000 4.039 427 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.220 427 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.220 427 G C 1.401 176.283 174.900 -0.029 0.000 1.391 427 G CA 0.774 45.855 45.100 -0.033 0.000 0.920 427 G HN 0.671 8.961 8.290 -0.000 0.000 0.599 428 T N 1.015 115.556 114.554 -0.021 0.000 2.732 428 T HA 0.210 4.560 4.350 -0.000 0.000 0.261 428 T C 2.441 177.111 174.700 -0.051 0.000 1.040 428 T CA 1.633 63.729 62.100 -0.006 0.000 1.145 428 T CB -0.146 68.744 68.868 0.036 0.000 0.866 428 T HN 0.287 8.527 8.240 -0.000 0.000 0.427 429 L N 0.773 121.946 121.223 -0.084 0.000 2.375 429 L HA 0.170 4.510 4.340 -0.000 0.000 0.215 429 L C 1.335 178.137 176.870 -0.114 0.000 1.108 429 L CA 0.388 55.134 54.840 -0.157 0.000 0.830 429 L CB -0.128 41.822 42.059 -0.182 0.000 0.959 429 L HN 0.357 8.587 8.230 -0.000 0.000 0.457 430 T N -4.503 110.004 114.554 -0.077 0.000 2.950 430 T HA 0.254 4.604 4.350 -0.000 0.000 0.288 430 T C 0.656 175.325 174.700 -0.051 0.000 1.035 430 T CA -0.812 61.251 62.100 -0.062 0.000 1.028 430 T CB 1.916 70.753 68.868 -0.052 0.000 1.109 430 T HN -0.084 8.156 8.240 -0.000 0.000 0.514 431 K N 0.133 120.507 120.400 -0.043 0.000 2.432 431 K HA 0.208 4.528 4.320 -0.000 0.000 0.196 431 K C 1.382 177.963 176.600 -0.032 0.000 1.038 431 K CA 0.574 56.840 56.287 -0.036 0.000 0.986 431 K CB -0.367 32.114 32.500 -0.031 0.000 0.782 431 K HN 1.047 9.297 8.250 -0.000 0.000 0.485 432 G N 2.150 110.929 108.800 -0.035 0.000 2.176 432 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.252 432 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.252 432 G C -0.301 174.581 174.900 -0.029 0.000 1.024 432 G CA 0.259 45.339 45.100 -0.035 0.000 0.755 432 G HN 0.221 8.511 8.290 -0.000 0.000 0.507 433 K N 0.986 121.370 120.400 -0.027 0.000 2.877 433 K HA 0.362 4.682 4.320 -0.000 0.000 0.176 433 K C -2.291 174.297 176.600 -0.020 0.000 1.075 433 K CA -1.493 54.781 56.287 -0.021 0.000 0.939 433 K CB 1.884 34.373 32.500 -0.018 0.000 1.237 433 K HN 0.246 8.496 8.250 -0.000 0.000 0.607 434 P HA -0.019 4.401 4.420 -0.000 0.000 0.271 434 P C -0.808 176.485 177.300 -0.013 0.000 1.216 434 P CA 0.047 63.138 63.100 -0.016 0.000 0.771 434 P CB 0.859 32.550 31.700 -0.014 0.000 0.864 435 E N 1.022 121.215 120.200 -0.012 0.000 2.383 435 E HA 0.386 4.736 4.350 -0.000 0.000 0.275 435 E C -1.251 175.339 176.600 -0.016 0.000 0.918 435 E CA -1.261 55.130 56.400 -0.015 0.000 0.764 435 E CB 1.343 31.035 29.700 -0.014 0.000 1.252 435 E HN 0.001 8.361 8.360 -0.000 0.000 0.449 436 V N 2.479 122.376 119.914 -0.027 0.000 2.529 436 V HA 0.020 4.140 4.120 -0.000 0.000 0.292 436 V C 1.247 177.329 176.094 -0.020 0.000 1.028 436 V CA 1.067 63.349 62.300 -0.030 0.000 1.074 436 V CB 0.694 32.482 31.823 -0.058 0.000 0.958 436 V HN 0.984 9.174 8.190 -0.000 0.000 0.481 437 T N 0.193 114.741 114.554 -0.010 0.000 3.015 437 T HA 0.226 4.576 4.350 -0.000 0.000 0.250 437 T C 0.099 174.801 174.700 0.003 0.000 1.057 437 T CA -0.005 62.094 62.100 -0.002 0.000 1.066 437 T CB 0.208 69.076 68.868 0.000 0.000 0.959 437 T HN 0.641 8.881 8.240 -0.000 0.000 0.488 438 D N 0.098 120.497 120.400 -0.000 0.000 2.947 438 D HA 0.590 5.230 4.640 -0.000 0.000 0.224 438 D C -1.590 174.710 176.300 0.001 0.000 1.230 438 D CA -0.487 53.516 54.000 0.005 0.000 0.871 438 D CB 2.171 42.975 40.800 0.006 0.000 1.671 438 D HN 0.132 8.502 8.370 -0.000 0.000 0.507 439 L N 1.647 122.875 121.223 0.007 0.000 2.325 439 L HA 0.635 4.975 4.340 -0.000 0.000 0.281 439 L C -0.858 176.018 176.870 0.009 0.000 1.004 439 L CA -0.977 53.866 54.840 0.005 0.000 0.823 439 L CB 1.818 43.883 42.059 0.011 0.000 1.236 439 L HN 0.216 8.446 8.230 -0.000 0.000 0.415 440 V N 3.833 123.750 119.914 0.005 0.000 2.313 440 V HA 0.261 4.381 4.120 -0.000 0.000 0.262 440 V C -2.215 173.882 176.094 0.004 0.000 1.011 440 V CA -1.342 60.962 62.300 0.006 0.000 0.858 440 V CB 0.783 32.609 31.823 0.006 0.000 1.104 440 V HN 0.551 8.741 8.190 -0.000 0.000 0.456 441 P HA 0.269 4.689 4.420 -0.000 0.000 0.280 441 P C 0.932 178.234 177.300 0.004 0.000 1.244 441 P CA -0.152 62.950 63.100 0.004 0.000 0.784 441 P CB 1.790 33.494 31.700 0.006 0.000 0.913 442 L N 2.194 123.419 121.223 0.002 0.000 2.291 442 L HA -0.123 4.217 4.340 -0.000 0.000 0.214 442 L C 1.647 178.519 176.870 0.003 0.000 1.120 442 L CA 1.326 56.168 54.840 0.003 0.000 0.799 442 L CB -0.726 41.334 42.059 0.002 0.000 0.925 442 L HN 0.473 8.703 8.230 -0.000 0.000 0.446 443 N N -0.580 118.122 118.700 0.003 0.000 2.230 443 N HA 0.063 4.803 4.740 -0.000 0.000 0.202 443 N C 1.173 176.686 175.510 0.005 0.000 1.119 443 N CA 0.676 53.728 53.050 0.003 0.000 0.851 443 N CB 0.709 39.198 38.487 0.003 0.000 0.990 443 N HN 0.165 8.545 8.380 -0.000 0.000 0.497 444 G N -0.115 108.689 108.800 0.006 0.000 2.225 444 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 444 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 444 G C -0.396 174.510 174.900 0.009 0.000 0.988 444 G CA 0.243 45.347 45.100 0.007 0.000 0.625 444 G HN 0.544 8.834 8.290 -0.000 0.000 0.527 445 D N 1.251 121.657 120.400 0.009 0.000 2.453 445 D HA 0.384 5.024 4.640 -0.000 0.000 0.223 445 D C 1.493 177.803 176.300 0.016 0.000 1.183 445 D CA -0.147 53.860 54.000 0.012 0.000 0.933 445 D CB 0.215 41.020 40.800 0.009 0.000 1.038 445 D HN 0.555 8.925 8.370 -0.000 0.000 0.513 446 E N 2.314 122.529 120.200 0.024 0.000 2.072 446 E HA -0.164 4.186 4.350 -0.000 0.000 0.191 446 E C 1.763 178.389 176.600 0.043 0.000 0.985 446 E CA 0.452 56.873 56.400 0.034 0.000 0.801 446 E CB 0.329 30.060 29.700 0.052 0.000 0.750 446 E HN 0.385 8.745 8.360 -0.000 0.000 0.452 447 R N 1.024 121.555 120.500 0.052 0.000 2.081 447 R HA -0.200 4.140 4.340 -0.000 0.000 0.235 447 R C 2.210 178.530 176.300 0.032 0.000 1.131 447 R CA 1.636 57.772 56.100 0.061 0.000 0.960 447 R CB 0.016 30.349 30.300 0.055 0.000 0.856 447 R HN -0.003 8.267 8.270 -0.000 0.000 0.436 448 E N 0.453 120.665 120.200 0.020 0.000 2.106 448 E HA -0.171 4.179 4.350 -0.000 0.000 0.192 448 E C 1.812 178.413 176.600 0.002 0.000 0.984 448 E CA 0.833 57.239 56.400 0.009 0.000 0.806 448 E CB -0.255 29.448 29.700 0.006 0.000 0.750 448 E HN 0.267 8.627 8.360 -0.000 0.000 0.458 449 L N 0.017 121.242 121.223 0.003 0.000 2.012 449 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 449 L C 2.171 179.034 176.870 -0.011 0.000 1.073 449 L CA 1.597 56.434 54.840 -0.005 0.000 0.748 449 L CB -0.722 41.335 42.059 -0.003 0.000 0.891 449 L HN 0.343 8.573 8.230 -0.000 0.000 0.431 450 L N -0.392 120.825 121.223 -0.009 0.000 2.056 450 L HA -0.156 4.184 4.340 -0.000 0.000 0.207 450 L C 2.737 179.596 176.870 -0.019 0.000 1.078 450 L CA 1.749 56.575 54.840 -0.023 0.000 0.749 450 L CB -0.780 41.258 42.059 -0.035 0.000 0.901 450 L HN 0.338 8.569 8.230 -0.000 0.000 0.433 451 R N -0.771 119.725 120.500 -0.006 0.000 2.073 451 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 451 R C 2.290 178.583 176.300 -0.012 0.000 1.134 451 R CA 1.888 57.986 56.100 -0.005 0.000 0.952 451 R CB -0.356 29.946 30.300 0.003 0.000 0.850 451 R HN 0.408 8.678 8.270 -0.000 0.000 0.433 452 L N 0.169 121.384 121.223 -0.014 0.000 2.017 452 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 452 L C 2.760 179.613 176.870 -0.028 0.000 1.073 452 L CA 1.406 56.234 54.840 -0.021 0.000 0.745 452 L CB -0.575 41.471 42.059 -0.023 0.000 0.894 452 L HN 0.309 8.539 8.230 -0.000 0.000 0.432 453 A N -0.014 122.789 122.820 -0.029 0.000 1.940 453 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 453 A C 2.511 180.077 177.584 -0.030 0.000 1.176 453 A CA 1.789 53.806 52.037 -0.033 0.000 0.631 453 A CB -0.731 18.249 19.000 -0.033 0.000 0.814 453 A HN 0.417 8.567 8.150 -0.000 0.000 0.446 454 A N -0.135 122.670 122.820 -0.025 0.000 1.930 454 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 454 A C 2.080 179.653 177.584 -0.018 0.000 1.175 454 A CA 1.378 53.402 52.037 -0.021 0.000 0.627 454 A CB -0.589 18.400 19.000 -0.019 0.000 0.815 454 A HN 0.507 8.657 8.150 -0.000 0.000 0.443 455 I N -0.127 120.432 120.570 -0.018 0.000 2.118 455 I HA -0.338 3.832 4.170 -0.000 0.000 0.241 455 I C 2.946 179.050 176.117 -0.022 0.000 1.070 455 I CA 1.409 62.698 61.300 -0.018 0.000 1.327 455 I CB -0.345 37.643 38.000 -0.019 0.000 1.034 455 I HN 0.351 8.561 8.210 -0.000 0.000 0.405 456 A N -0.262 122.539 122.820 -0.031 0.000 2.015 456 A HA -0.138 4.181 4.320 -0.000 0.000 0.219 456 A C 2.011 179.577 177.584 -0.031 0.000 1.163 456 A CA 1.353 53.367 52.037 -0.038 0.000 0.646 456 A CB -0.285 18.681 19.000 -0.056 0.000 0.806 456 A HN 0.382 8.532 8.150 -0.000 0.000 0.448 457 E N -0.863 119.323 120.200 -0.024 0.000 2.474 457 E HA 0.021 4.371 4.350 -0.000 0.000 0.195 457 E C 1.686 178.284 176.600 -0.004 0.000 1.039 457 E CA -0.031 56.361 56.400 -0.014 0.000 0.881 457 E CB 0.034 29.726 29.700 -0.012 0.000 0.970 457 E HN 0.482 8.842 8.360 -0.000 0.000 0.486 458 R N 1.480 121.976 120.500 -0.007 0.000 2.105 458 R HA -0.077 4.262 4.340 -0.000 0.000 0.239 458 R C 1.618 177.920 176.300 0.003 0.000 1.135 458 R CA 1.392 57.491 56.100 -0.002 0.000 0.967 458 R CB 0.096 30.394 30.300 -0.004 0.000 0.861 458 R HN -0.083 8.187 8.270 -0.000 0.000 0.442 459 R N -0.407 120.095 120.500 0.004 0.000 2.334 459 R HA 0.196 4.536 4.340 -0.000 0.000 0.216 459 R C 0.287 176.597 176.300 0.016 0.000 0.905 459 R CA 0.108 56.213 56.100 0.008 0.000 1.064 459 R CB -0.095 30.209 30.300 0.007 0.000 1.046 459 R HN 0.041 8.311 8.270 -0.000 0.000 0.508 460 S N 0.806 116.518 115.700 0.020 0.000 2.525 460 S HA 0.124 4.594 4.470 -0.000 0.000 0.278 460 S C 0.758 175.387 174.600 0.049 0.000 1.234 460 S CA -0.468 57.756 58.200 0.039 0.000 1.058 460 S CB 1.699 64.924 63.200 0.041 0.000 0.983 460 S HN 0.260 8.570 8.310 -0.000 0.000 0.495 461 E N 2.291 122.526 120.200 0.059 0.000 2.474 461 E HA 0.015 4.365 4.350 -0.000 0.000 0.195 461 E C 0.166 176.799 176.600 0.055 0.000 1.039 461 E CA -0.189 56.237 56.400 0.044 0.000 0.881 461 E CB 0.126 29.842 29.700 0.027 0.000 0.970 461 E HN 0.751 9.111 8.360 -0.000 0.000 0.486 462 H N 0.548 119.617 119.070 -0.002 0.000 2.897 462 H HA 0.002 4.558 4.556 -0.000 0.000 0.347 462 H C -1.765 173.559 175.328 -0.006 0.000 1.068 462 H CA -1.148 54.898 56.048 -0.002 0.000 1.426 462 H CB 1.428 31.189 29.762 -0.002 0.000 1.410 462 H HN -0.006 8.274 8.280 -0.000 0.000 0.597 463 P HA -0.190 4.230 4.420 -0.000 0.000 0.217 463 P C 1.619 178.969 177.300 0.084 0.000 1.151 463 P CA 1.453 64.506 63.100 -0.078 0.000 0.849 463 P CB 0.166 31.763 31.700 -0.172 0.000 0.787 464 I N -0.990 119.767 120.570 0.311 0.000 2.179 464 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 464 I C 2.336 178.510 176.117 0.095 0.000 1.088 464 I CA 1.535 62.947 61.300 0.187 0.000 1.357 464 I CB -0.843 37.250 38.000 0.155 0.000 1.051 464 I HN -0.074 8.136 8.210 -0.000 0.000 0.409 465 A N 0.343 123.232 122.820 0.115 0.000 1.902 465 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 465 A C 2.337 179.940 177.584 0.031 0.000 1.181 465 A CA 1.945 54.014 52.037 0.053 0.000 0.623 465 A CB -0.688 18.350 19.000 0.064 0.000 0.818 465 A HN 0.515 8.665 8.150 -0.000 0.000 0.443 466 E N 0.001 120.222 120.200 0.035 0.000 2.058 466 E HA -0.174 4.175 4.350 -0.000 0.000 0.194 466 E C 2.146 178.746 176.600 -0.000 0.000 0.997 466 E CA 1.227 57.634 56.400 0.011 0.000 0.801 466 E CB -0.290 29.411 29.700 0.001 0.000 0.746 466 E HN 0.516 8.876 8.360 -0.000 0.000 0.450 467 A N 1.060 123.881 122.820 0.003 0.000 1.877 467 A HA -0.163 4.157 4.320 -0.000 0.000 0.216 467 A C 2.201 179.769 177.584 -0.026 0.000 1.186 467 A CA 1.466 53.496 52.037 -0.011 0.000 0.620 467 A CB -0.595 18.403 19.000 -0.004 0.000 0.822 467 A HN 0.354 8.504 8.150 -0.000 0.000 0.443 468 I N -0.619 119.939 120.570 -0.020 0.000 2.233 468 I HA -0.180 3.990 4.170 -0.000 0.000 0.243 468 I C 2.357 178.448 176.117 -0.042 0.000 1.093 468 I CA 0.974 62.252 61.300 -0.036 0.000 1.380 468 I CB -0.277 37.707 38.000 -0.026 0.000 1.067 468 I HN 0.151 8.361 8.210 -0.000 0.000 0.413 469 V N 1.090 120.989 119.914 -0.025 0.000 2.295 469 V HA -0.330 3.790 4.120 -0.000 0.000 0.246 469 V C 2.525 178.603 176.094 -0.027 0.000 1.049 469 V CA 2.010 64.297 62.300 -0.021 0.000 1.024 469 V CB -0.741 31.076 31.823 -0.009 0.000 0.648 469 V HN 0.418 8.608 8.190 -0.000 0.000 0.447 470 K N 0.284 120.668 120.400 -0.026 0.000 2.032 470 K HA -0.301 4.019 4.320 -0.000 0.000 0.209 470 K C 2.250 178.821 176.600 -0.049 0.000 1.048 470 K CA 2.100 58.371 56.287 -0.027 0.000 0.927 470 K CB -0.139 32.349 32.500 -0.021 0.000 0.712 470 K HN 0.260 8.510 8.250 -0.000 0.000 0.441 471 K N 0.418 120.764 120.400 -0.089 0.000 2.097 471 K HA -0.045 4.275 4.320 -0.000 0.000 0.205 471 K C 1.752 178.214 176.600 -0.230 0.000 1.050 471 K CA 1.419 57.593 56.287 -0.190 0.000 0.938 471 K CB -0.347 32.016 32.500 -0.228 0.000 0.718 471 K HN 0.281 8.531 8.250 -0.000 0.000 0.442 472 A N 0.582 123.326 122.820 -0.127 0.000 1.877 472 A HA -0.124 4.196 4.320 -0.000 0.000 0.216 472 A C 2.189 179.771 177.584 -0.005 0.000 1.186 472 A CA 1.605 53.604 52.037 -0.064 0.000 0.620 472 A CB -0.757 18.221 19.000 -0.036 0.000 0.822 472 A HN 0.303 8.453 8.150 -0.000 0.000 0.443 473 L N -0.715 120.505 121.223 -0.006 0.000 2.042 473 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 473 L C 2.570 179.467 176.870 0.045 0.000 1.076 473 L CA 1.770 56.620 54.840 0.017 0.000 0.749 473 L CB -0.594 41.470 42.059 0.008 0.000 0.893 473 L HN 0.472 8.702 8.230 -0.000 0.000 0.432 474 E N -1.010 119.220 120.200 0.049 0.000 2.204 474 E HA -0.198 4.152 4.350 -0.000 0.000 0.195 474 E C 1.499 178.242 176.600 0.238 0.000 0.990 474 E CA 0.882 57.351 56.400 0.114 0.000 0.821 474 E CB -0.045 29.720 29.700 0.110 0.000 0.750 474 E HN 0.640 9.000 8.360 -0.000 0.000 0.477 475 H N -1.131 117.939 119.070 -0.001 0.000 2.529 475 H HA 0.165 4.721 4.556 -0.000 0.000 0.277 475 H C 0.849 176.176 175.328 -0.001 0.000 1.004 475 H CA -0.088 55.959 56.048 -0.001 0.000 1.167 475 H CB 0.798 30.559 29.762 -0.001 0.000 1.445 475 H HN 0.264 8.544 8.280 -0.000 0.000 0.554 476 G N 1.923 110.788 108.800 0.108 0.000 2.198 476 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 476 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 476 G C 0.096 175.025 174.900 0.049 0.000 1.025 476 G CA 0.060 45.194 45.100 0.056 0.000 0.769 476 G HN 0.343 8.633 8.290 -0.000 0.000 0.507 477 I N 0.577 121.181 120.570 0.058 0.000 2.395 477 I HA 0.213 4.383 4.170 -0.000 0.000 0.289 477 I C 0.972 177.102 176.117 0.022 0.000 1.023 477 I CA -0.435 60.888 61.300 0.039 0.000 1.350 477 I CB 1.135 39.159 38.000 0.039 0.000 1.409 477 I HN 0.201 8.411 8.210 -0.000 0.000 0.507 478 E N 6.478 126.688 120.200 0.016 0.000 2.384 478 E HA 0.181 4.531 4.350 -0.000 0.000 0.266 478 E C -0.967 175.636 176.600 0.006 0.000 1.012 478 E CA -0.448 55.958 56.400 0.010 0.000 0.901 478 E CB 0.745 30.449 29.700 0.007 0.000 0.967 478 E HN 0.440 8.800 8.360 -0.000 0.000 0.435 479 L N 3.893 125.119 121.223 0.004 0.000 2.290 479 L HA 0.322 4.661 4.340 -0.000 0.000 0.284 479 L C 0.925 177.795 176.870 -0.001 0.000 1.078 479 L CA -0.616 54.225 54.840 0.000 0.000 0.815 479 L CB 1.045 43.104 42.059 -0.000 0.000 1.162 479 L HN 0.590 8.820 8.230 -0.000 0.000 0.435 480 G N 2.277 111.076 108.800 -0.003 0.000 2.562 480 G HA2 0.313 4.273 3.960 -0.000 0.000 0.275 480 G HA3 0.313 4.273 3.960 -0.000 0.000 0.275 480 G C -0.411 174.487 174.900 -0.003 0.000 1.196 480 G CA -0.417 44.681 45.100 -0.003 0.000 0.908 480 G HN 0.563 8.853 8.290 -0.000 0.000 0.524 481 E N 1.536 121.734 120.200 -0.003 0.000 2.183 481 E HA 0.240 4.590 4.350 -0.000 0.000 0.250 481 E C -2.146 174.452 176.600 -0.003 0.000 0.901 481 E CA -1.398 55.000 56.400 -0.002 0.000 0.741 481 E CB 1.837 31.537 29.700 -0.001 0.000 1.182 481 E HN 0.337 8.697 8.360 -0.000 0.000 0.425 482 P HA 0.104 4.524 4.420 -0.000 0.000 0.276 482 P C 0.597 177.895 177.300 -0.003 0.000 1.230 482 P CA -0.116 62.980 63.100 -0.006 0.000 0.776 482 P CB 1.711 33.405 31.700 -0.010 0.000 0.888 483 E N 2.713 122.912 120.200 -0.002 0.000 2.072 483 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 483 E C -0.151 176.450 176.600 0.003 0.000 0.985 483 E CA 1.059 57.460 56.400 0.001 0.000 0.801 483 E CB 0.206 29.907 29.700 0.002 0.000 0.750 483 E HN 0.430 8.790 8.360 -0.000 0.000 0.452 484 K N 0.187 120.588 120.400 0.002 0.000 2.513 484 K HA 0.431 4.751 4.320 -0.000 0.000 0.251 484 K C -1.667 174.934 176.600 0.002 0.000 0.939 484 K CA -0.716 55.574 56.287 0.005 0.000 0.793 484 K CB 3.005 35.511 32.500 0.011 0.000 1.241 484 K HN -0.151 8.099 8.250 -0.000 0.000 0.431 485 V N 1.648 121.564 119.914 0.003 0.000 2.588 485 V HA 0.337 4.457 4.120 -0.000 0.000 0.304 485 V C -0.593 175.507 176.094 0.010 0.000 1.042 485 V CA -0.805 61.494 62.300 -0.001 0.000 0.877 485 V CB 1.775 33.595 31.823 -0.005 0.000 0.996 485 V HN 0.777 8.967 8.190 -0.000 0.000 0.425 486 E N 2.957 123.165 120.200 0.014 0.000 2.171 486 E HA 0.629 4.978 4.350 -0.000 0.000 0.271 486 E C -1.588 175.027 176.600 0.025 0.000 0.916 486 E CA -0.550 55.869 56.400 0.032 0.000 0.774 486 E CB 2.073 31.813 29.700 0.066 0.000 1.128 486 E HN 0.502 8.862 8.360 -0.000 0.000 0.403 487 V N 6.368 126.297 119.914 0.026 0.000 2.347 487 V HA 0.347 4.467 4.120 -0.000 0.000 0.280 487 V C 0.017 176.132 176.094 0.035 0.000 1.021 487 V CA -0.548 61.764 62.300 0.019 0.000 0.847 487 V CB 0.946 32.780 31.823 0.018 0.000 0.990 487 V HN 0.620 8.810 8.190 -0.000 0.000 0.444 488 I N 4.223 124.818 120.570 0.042 0.000 2.330 488 I HA 0.524 4.694 4.170 -0.000 0.000 0.289 488 I C 0.910 177.052 176.117 0.042 0.000 1.001 488 I CA -0.579 60.755 61.300 0.057 0.000 1.193 488 I CB 1.548 39.607 38.000 0.099 0.000 1.345 488 I HN 0.693 8.903 8.210 -0.000 0.000 0.461 489 A N 4.809 127.657 122.820 0.047 0.000 2.580 489 A HA 0.321 4.641 4.320 -0.000 0.000 0.244 489 A C 1.434 179.048 177.584 0.049 0.000 1.045 489 A CA 0.846 52.915 52.037 0.054 0.000 0.761 489 A CB -0.514 18.533 19.000 0.078 0.000 0.962 489 A HN 1.315 9.465 8.150 -0.000 0.000 0.512 490 G N 1.863 110.683 108.800 0.033 0.000 2.166 490 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.260 490 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.260 490 G C 0.397 175.307 174.900 0.017 0.000 0.986 490 G CA 1.059 46.173 45.100 0.023 0.000 0.683 490 G HN 0.858 9.148 8.290 -0.000 0.000 0.527 491 E N -1.737 118.471 120.200 0.012 0.000 3.100 491 E HA 0.475 4.825 4.350 -0.000 0.000 0.191 491 E C 1.290 177.881 176.600 -0.015 0.000 1.097 491 E CA 0.360 56.773 56.400 0.022 0.000 1.339 491 E CB 0.952 30.694 29.700 0.069 0.000 1.330 491 E HN 1.222 9.582 8.360 -0.000 0.000 0.511 492 G N 0.810 109.591 108.800 -0.031 0.000 2.334 492 G HA2 0.148 4.108 3.960 -0.000 0.000 0.249 492 G HA3 0.148 4.108 3.960 -0.000 0.000 0.249 492 G C -1.447 173.420 174.900 -0.055 0.000 1.327 492 G CA -0.399 44.655 45.100 -0.076 0.000 0.979 492 G HN 0.427 8.717 8.290 -0.000 0.000 0.471 493 V N -2.366 117.503 119.914 -0.075 0.000 2.864 493 V HA 0.932 5.052 4.120 -0.000 0.000 0.314 493 V C -0.381 175.649 176.094 -0.107 0.000 1.073 493 V CA -1.082 61.178 62.300 -0.067 0.000 0.956 493 V CB 1.670 33.456 31.823 -0.060 0.000 1.023 493 V HN 1.302 9.492 8.190 -0.000 0.000 0.435 494 V N 2.499 122.355 119.914 -0.096 0.000 2.524 494 V HA 0.878 4.998 4.120 -0.000 0.000 0.297 494 V C 0.092 176.134 176.094 -0.086 0.000 1.035 494 V CA 0.111 62.315 62.300 -0.159 0.000 0.867 494 V CB 1.349 33.072 31.823 -0.167 0.000 1.004 494 V HN 1.475 9.665 8.190 -0.000 0.000 0.426 495 A N 2.964 125.730 122.820 -0.090 0.000 2.411 495 A HA 0.715 5.035 4.320 -0.000 0.000 0.285 495 A C -0.231 177.325 177.584 -0.047 0.000 1.129 495 A CA -0.530 51.477 52.037 -0.051 0.000 0.736 495 A CB 0.651 19.627 19.000 -0.041 0.000 1.186 495 A HN 0.856 9.006 8.150 -0.000 0.000 0.445 496 D N 1.892 122.274 120.400 -0.029 0.000 2.692 496 D HA -0.183 4.457 4.640 -0.000 0.000 0.233 496 D C 1.272 177.554 176.300 -0.030 0.000 1.172 496 D CA 2.973 56.961 54.000 -0.020 0.000 0.636 496 D CB -1.188 39.603 40.800 -0.015 0.000 1.028 496 D HN 2.024 10.394 8.370 -0.000 0.000 0.419 497 G N -1.437 107.336 108.800 -0.044 0.000 2.234 497 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.235 497 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.235 497 G C 0.378 175.221 174.900 -0.094 0.000 0.997 497 G CA 0.070 45.137 45.100 -0.055 0.000 0.623 497 G HN 0.521 8.811 8.290 -0.000 0.000 0.514 498 I N 1.866 122.376 120.570 -0.100 0.000 2.353 498 I HA 0.541 4.711 4.170 -0.000 0.000 0.293 498 I C 0.450 176.469 176.117 -0.164 0.000 0.992 498 I CA -0.801 60.434 61.300 -0.108 0.000 1.268 498 I CB 1.404 39.360 38.000 -0.074 0.000 1.387 498 I HN -0.021 8.189 8.210 -0.000 0.000 0.478 499 L N 6.701 127.817 121.223 -0.179 0.000 2.329 499 L HA 0.646 4.986 4.340 -0.000 0.000 0.279 499 L C -0.828 175.964 176.870 -0.130 0.000 1.014 499 L CA -0.937 53.774 54.840 -0.214 0.000 0.814 499 L CB 1.830 43.724 42.059 -0.276 0.000 1.257 499 L HN 0.266 8.496 8.230 -0.000 0.000 0.424 500 V N 2.131 121.976 119.914 -0.116 0.000 2.447 500 V HA 0.903 5.023 4.120 -0.000 0.000 0.292 500 V C 0.247 176.292 176.094 -0.081 0.000 1.021 500 V CA -0.214 62.037 62.300 -0.083 0.000 0.850 500 V CB 1.047 32.828 31.823 -0.070 0.000 1.005 500 V HN 1.047 9.237 8.190 -0.000 0.000 0.426 501 G N 4.512 113.274 108.800 -0.062 0.000 2.393 501 G HA2 0.322 4.282 3.960 -0.000 0.000 0.264 501 G HA3 0.322 4.282 3.960 -0.000 0.000 0.264 501 G C -1.228 173.656 174.900 -0.027 0.000 1.221 501 G CA -0.225 44.843 45.100 -0.054 0.000 0.912 501 G HN 0.758 9.048 8.290 -0.000 0.000 0.483 502 N N -0.302 118.391 118.700 -0.011 0.000 2.566 502 N HA 0.365 5.104 4.740 -0.000 0.000 0.299 502 N C 0.907 176.432 175.510 0.026 0.000 1.277 502 N CA -0.410 52.645 53.050 0.008 0.000 0.965 502 N CB 0.777 39.271 38.487 0.011 0.000 1.142 502 N HN 0.522 8.902 8.380 -0.000 0.000 0.596 503 K N -0.776 119.645 120.400 0.035 0.000 2.148 503 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 503 K C 1.935 178.568 176.600 0.055 0.000 1.050 503 K CA 0.849 57.162 56.287 0.044 0.000 0.942 503 K CB -0.109 32.419 32.500 0.047 0.000 0.724 503 K HN 0.389 8.639 8.250 -0.000 0.000 0.446 504 R N 0.792 121.325 120.500 0.055 0.000 2.081 504 R HA -0.135 4.205 4.340 -0.000 0.000 0.235 504 R C 2.191 178.542 176.300 0.086 0.000 1.131 504 R CA 1.024 57.162 56.100 0.062 0.000 0.960 504 R CB -0.243 30.090 30.300 0.055 0.000 0.856 504 R HN 0.078 8.348 8.270 -0.000 0.000 0.436 505 L N -0.032 121.246 121.223 0.092 0.000 2.017 505 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 505 L C 1.911 178.903 176.870 0.202 0.000 1.073 505 L CA 1.749 56.681 54.840 0.152 0.000 0.745 505 L CB -0.319 41.785 42.059 0.076 0.000 0.894 505 L HN 0.205 8.435 8.230 -0.000 0.000 0.432 506 M N -0.633 119.035 119.600 0.113 0.000 2.080 506 M HA -0.262 4.218 4.480 -0.000 0.000 0.260 506 M C 2.258 178.636 176.300 0.131 0.000 1.068 506 M CA 1.872 57.236 55.300 0.108 0.000 1.109 506 M CB -1.496 31.139 32.600 0.059 0.000 1.342 506 M HN 0.440 8.730 8.290 -0.000 0.000 0.405 507 E N 0.249 120.506 120.200 0.096 0.000 2.058 507 E HA -0.260 4.090 4.350 -0.000 0.000 0.194 507 E C 1.735 178.370 176.600 0.058 0.000 0.997 507 E CA 1.630 58.071 56.400 0.068 0.000 0.801 507 E CB -0.055 29.675 29.700 0.049 0.000 0.746 507 E HN 0.350 8.710 8.360 -0.000 0.000 0.450 508 D N -0.526 119.917 120.400 0.073 0.000 2.158 508 D HA -0.179 4.460 4.640 -0.000 0.000 0.197 508 D C 0.974 177.167 176.300 -0.179 0.000 0.995 508 D CA 1.036 55.014 54.000 -0.036 0.000 0.846 508 D CB -0.119 40.690 40.800 0.014 0.000 0.941 508 D HN 0.233 8.603 8.370 -0.000 0.000 0.456 509 F N -1.091 118.861 119.950 0.003 0.000 2.641 509 F HA 0.312 4.839 4.527 -0.000 0.000 0.302 509 F C 1.697 177.498 175.800 0.003 0.000 1.098 509 F CA 0.197 58.198 58.000 0.002 0.000 1.318 509 F CB 0.717 39.717 39.000 0.000 0.000 1.035 509 F HN 0.004 8.304 8.300 -0.000 0.000 0.551 510 G N 1.286 110.156 108.800 0.117 0.000 2.249 510 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.273 510 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.273 510 G C -0.063 174.885 174.900 0.079 0.000 1.036 510 G CA 0.157 45.301 45.100 0.073 0.000 0.824 510 G HN 0.157 8.447 8.290 -0.000 0.000 0.504 511 V N 0.770 120.741 119.914 0.096 0.000 2.432 511 V HA 0.622 4.742 4.120 -0.000 0.000 0.271 511 V C 1.084 177.206 176.094 0.046 0.000 1.046 511 V CA -0.306 62.034 62.300 0.065 0.000 0.945 511 V CB 1.117 32.975 31.823 0.058 0.000 0.992 511 V HN 1.046 9.236 8.190 -0.000 0.000 0.471 512 A N 5.433 128.274 122.820 0.034 0.000 2.488 512 A HA 0.457 4.777 4.320 -0.000 0.000 0.249 512 A C -0.126 177.472 177.584 0.023 0.000 1.083 512 A CA -0.077 51.975 52.037 0.026 0.000 0.768 512 A CB 0.209 19.222 19.000 0.021 0.000 1.017 512 A HN 0.696 8.846 8.150 -0.000 0.000 0.496 513 V N 4.315 124.242 119.914 0.023 0.000 2.311 513 V HA 0.297 4.417 4.120 -0.000 0.000 0.275 513 V C 0.806 176.910 176.094 0.017 0.000 1.022 513 V CA 0.023 62.335 62.300 0.020 0.000 0.830 513 V CB 0.696 32.533 31.823 0.023 0.000 1.012 513 V HN 1.103 9.293 8.190 -0.000 0.000 0.452 514 S N 4.086 119.794 115.700 0.014 0.000 2.608 514 S HA 0.182 4.652 4.470 -0.000 0.000 0.261 514 S C 1.111 175.717 174.600 0.011 0.000 1.314 514 S CA -0.429 57.778 58.200 0.012 0.000 0.992 514 S CB 0.641 63.847 63.200 0.010 0.000 0.935 514 S HN 0.611 8.921 8.310 -0.000 0.000 0.564 515 N N 1.267 119.973 118.700 0.010 0.000 2.149 515 N HA -0.152 4.587 4.740 -0.000 0.000 0.188 515 N C 1.647 177.163 175.510 0.010 0.000 1.019 515 N CA 1.636 54.692 53.050 0.010 0.000 0.857 515 N CB -0.687 37.805 38.487 0.008 0.000 0.997 515 N HN 0.916 9.296 8.380 -0.000 0.000 0.426 516 E N 0.757 120.962 120.200 0.009 0.000 2.077 516 E HA -0.122 4.228 4.350 -0.000 0.000 0.193 516 E C 1.626 178.232 176.600 0.009 0.000 0.989 516 E CA 0.947 57.352 56.400 0.008 0.000 0.800 516 E CB 0.133 29.837 29.700 0.007 0.000 0.746 516 E HN 0.041 8.401 8.360 -0.000 0.000 0.452 517 V N 1.671 121.591 119.914 0.010 0.000 2.307 517 V HA -0.194 3.926 4.120 -0.000 0.000 0.245 517 V C 2.380 178.482 176.094 0.013 0.000 1.045 517 V CA 1.832 64.139 62.300 0.011 0.000 1.024 517 V CB -0.478 31.351 31.823 0.011 0.000 0.651 517 V HN 0.268 8.458 8.190 -0.000 0.000 0.449 518 E N 0.134 120.342 120.200 0.015 0.000 2.085 518 E HA -0.215 4.135 4.350 -0.000 0.000 0.194 518 E C 2.224 178.834 176.600 0.016 0.000 0.994 518 E CA 1.326 57.737 56.400 0.017 0.000 0.801 518 E CB -0.320 29.390 29.700 0.017 0.000 0.743 518 E HN 0.512 8.872 8.360 -0.000 0.000 0.453 519 L N 0.308 121.539 121.223 0.013 0.000 2.046 519 L HA -0.168 4.171 4.340 -0.000 0.000 0.208 519 L C 2.563 179.441 176.870 0.013 0.000 1.077 519 L CA 1.126 55.974 54.840 0.012 0.000 0.747 519 L CB -0.462 41.603 42.059 0.010 0.000 0.896 519 L HN 0.069 8.299 8.230 -0.000 0.000 0.432 520 A N 0.017 122.844 122.820 0.012 0.000 1.902 520 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 520 A C 2.231 179.823 177.584 0.014 0.000 1.181 520 A CA 1.368 53.412 52.037 0.012 0.000 0.623 520 A CB -0.648 18.358 19.000 0.010 0.000 0.818 520 A HN 0.361 8.511 8.150 -0.000 0.000 0.443 521 L N -0.938 120.295 121.223 0.017 0.000 2.046 521 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 521 L C 2.633 179.518 176.870 0.025 0.000 1.077 521 L CA 1.800 56.652 54.840 0.021 0.000 0.747 521 L CB -0.512 41.562 42.059 0.024 0.000 0.896 521 L HN 0.595 8.825 8.230 -0.000 0.000 0.432 522 E N 0.712 120.926 120.200 0.024 0.000 2.077 522 E HA -0.293 4.057 4.350 -0.000 0.000 0.193 522 E C 2.247 178.860 176.600 0.022 0.000 0.989 522 E CA 1.445 57.860 56.400 0.025 0.000 0.800 522 E CB 0.072 29.784 29.700 0.021 0.000 0.746 522 E HN 0.279 8.639 8.360 -0.000 0.000 0.452 523 K N 0.162 120.572 120.400 0.018 0.000 2.026 523 K HA -0.154 4.166 4.320 -0.000 0.000 0.208 523 K C 2.235 178.845 176.600 0.015 0.000 1.048 523 K CA 1.391 57.687 56.287 0.015 0.000 0.929 523 K CB -0.074 32.433 32.500 0.012 0.000 0.713 523 K HN 0.179 8.429 8.250 -0.000 0.000 0.439 524 L N 0.542 121.774 121.223 0.016 0.000 2.072 524 L HA -0.127 4.212 4.340 -0.000 0.000 0.205 524 L C 2.256 179.136 176.870 0.017 0.000 1.079 524 L CA 1.277 56.126 54.840 0.014 0.000 0.752 524 L CB -0.305 41.762 42.059 0.013 0.000 0.906 524 L HN 0.238 8.468 8.230 -0.000 0.000 0.436 525 E N 0.271 120.485 120.200 0.023 0.000 2.150 525 E HA -0.230 4.120 4.350 -0.000 0.000 0.193 525 E C 2.131 178.749 176.600 0.030 0.000 0.985 525 E CA 0.968 57.386 56.400 0.029 0.000 0.814 525 E CB -0.070 29.655 29.700 0.041 0.000 0.752 525 E HN 0.471 8.831 8.360 -0.000 0.000 0.466 526 R N 1.247 121.764 120.500 0.028 0.000 2.237 526 R HA -0.082 4.257 4.340 -0.000 0.000 0.219 526 R C 1.064 177.376 176.300 0.020 0.000 1.080 526 R CA 1.168 57.284 56.100 0.027 0.000 0.995 526 R CB -0.106 30.208 30.300 0.024 0.000 0.875 526 R HN 0.089 8.359 8.270 -0.000 0.000 0.462 527 E N 0.598 120.807 120.200 0.016 0.000 2.445 527 E HA 0.178 4.528 4.350 -0.000 0.000 0.189 527 E C 0.020 176.625 176.600 0.008 0.000 1.069 527 E CA 0.345 56.752 56.400 0.011 0.000 0.871 527 E CB 0.588 30.293 29.700 0.009 0.000 0.991 527 E HN 0.496 8.856 8.360 -0.000 0.000 0.481 528 A N 1.175 124.002 122.820 0.012 0.000 2.930 528 A HA -0.266 4.054 4.320 -0.000 0.000 0.273 528 A C -0.165 177.421 177.584 0.004 0.000 1.435 528 A CA 1.077 53.118 52.037 0.007 0.000 0.780 528 A CB -1.870 17.130 19.000 0.001 0.000 1.034 528 A HN 0.212 8.362 8.150 -0.000 0.000 0.562 529 K N -0.207 120.199 120.400 0.009 0.000 2.208 529 K HA 0.611 4.930 4.320 -0.000 0.000 0.247 529 K C -0.105 176.501 176.600 0.010 0.000 0.953 529 K CA -0.434 55.857 56.287 0.007 0.000 0.837 529 K CB 1.403 33.907 32.500 0.007 0.000 1.131 529 K HN 0.239 8.489 8.250 -0.000 0.000 0.431 530 T N 1.552 116.112 114.554 0.011 0.000 2.749 530 T HA 0.340 4.690 4.350 -0.000 0.000 0.295 530 T C -0.465 174.242 174.700 0.012 0.000 0.936 530 T CA -0.506 61.603 62.100 0.014 0.000 1.060 530 T CB 0.746 69.628 68.868 0.024 0.000 0.904 530 T HN 0.596 8.836 8.240 -0.000 0.000 0.500 531 A N 3.640 126.466 122.820 0.011 0.000 2.287 531 A HA 0.712 5.032 4.320 -0.000 0.000 0.317 531 A C 0.149 177.734 177.584 0.003 0.000 1.220 531 A CA -0.795 51.247 52.037 0.008 0.000 0.835 531 A CB 0.531 19.538 19.000 0.012 0.000 1.180 531 A HN 0.831 8.981 8.150 -0.000 0.000 0.500 532 V N 0.984 120.895 119.914 -0.005 0.000 2.667 532 V HA 0.761 4.881 4.120 -0.000 0.000 0.308 532 V C -0.267 175.818 176.094 -0.014 0.000 1.048 532 V CA -0.864 61.428 62.300 -0.014 0.000 0.928 532 V CB 1.272 33.078 31.823 -0.028 0.000 1.004 532 V HN 0.640 8.830 8.190 -0.000 0.000 0.444 533 I N 3.221 123.781 120.570 -0.017 0.000 2.353 533 I HA 0.482 4.652 4.170 -0.000 0.000 0.293 533 I C -0.376 175.723 176.117 -0.030 0.000 0.992 533 I CA -0.767 60.523 61.300 -0.016 0.000 1.268 533 I CB 1.824 39.819 38.000 -0.008 0.000 1.387 533 I HN 0.432 8.642 8.210 -0.000 0.000 0.478 534 V N 5.688 125.584 119.914 -0.030 0.000 2.394 534 V HA 0.747 4.867 4.120 -0.000 0.000 0.282 534 V C 0.255 176.326 176.094 -0.039 0.000 1.031 534 V CA -0.367 61.909 62.300 -0.040 0.000 0.881 534 V CB 1.216 33.019 31.823 -0.034 0.000 0.982 534 V HN 0.866 9.056 8.190 -0.000 0.000 0.451 535 A N 5.338 128.124 122.820 -0.057 0.000 2.454 535 A HA 0.945 5.264 4.320 -0.000 0.000 0.302 535 A C -0.560 176.986 177.584 -0.062 0.000 1.079 535 A CA -0.878 51.128 52.037 -0.052 0.000 0.731 535 A CB 1.876 20.845 19.000 -0.051 0.000 1.299 535 A HN 0.757 8.907 8.150 -0.000 0.000 0.413 536 R N 1.351 121.825 120.500 -0.043 0.000 2.515 536 R HA 0.387 4.727 4.340 -0.000 0.000 0.291 536 R C -0.874 175.411 176.300 -0.026 0.000 1.046 536 R CA -0.286 55.789 56.100 -0.040 0.000 0.914 536 R CB 0.578 30.860 30.300 -0.029 0.000 1.191 536 R HN 0.989 9.259 8.270 -0.000 0.000 0.435 537 N N 2.735 121.420 118.700 -0.026 0.000 2.714 537 N HA -0.251 4.489 4.740 -0.000 0.000 0.252 537 N C 0.523 176.035 175.510 0.004 0.000 1.014 537 N CA 0.914 53.960 53.050 -0.007 0.000 0.735 537 N CB -0.661 37.824 38.487 -0.003 0.000 0.924 537 N HN 1.080 9.460 8.380 -0.000 0.000 0.540 538 G N -0.631 108.171 108.800 0.004 0.000 2.179 538 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.260 538 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.260 538 G C 0.012 174.921 174.900 0.016 0.000 0.977 538 G CA 0.617 45.731 45.100 0.023 0.000 0.641 538 G HN 0.777 9.067 8.290 -0.000 0.000 0.533 539 R N -0.648 119.854 120.500 0.003 0.000 2.750 539 R HA 0.744 5.084 4.340 -0.000 0.000 0.281 539 R C -0.361 175.936 176.300 -0.005 0.000 0.972 539 R CA -1.041 55.060 56.100 0.003 0.000 0.912 539 R CB 2.047 32.350 30.300 0.004 0.000 1.187 539 R HN 0.119 8.389 8.270 -0.000 0.000 0.464 540 V N 2.938 122.851 119.914 -0.002 0.000 2.585 540 V HA -0.029 4.091 4.120 -0.000 0.000 0.296 540 V C 0.940 177.030 176.094 -0.007 0.000 1.035 540 V CA 0.372 62.669 62.300 -0.006 0.000 1.084 540 V CB 0.977 32.800 31.823 0.000 0.000 0.953 540 V HN 0.867 9.057 8.190 -0.000 0.000 0.483 541 E N 2.843 123.036 120.200 -0.012 0.000 2.216 541 E HA 0.277 4.627 4.350 -0.000 0.000 0.192 541 E C 0.857 177.453 176.600 -0.007 0.000 0.973 541 E CA 0.964 57.358 56.400 -0.010 0.000 0.851 541 E CB 0.993 30.684 29.700 -0.014 0.000 0.804 541 E HN 0.922 9.282 8.360 -0.000 0.000 0.477 542 G N 0.231 109.026 108.800 -0.008 0.000 2.323 542 G HA2 0.356 4.316 3.960 -0.000 0.000 0.291 542 G HA3 0.356 4.316 3.960 -0.000 0.000 0.291 542 G C -1.609 173.287 174.900 -0.007 0.000 1.278 542 G CA -0.887 44.210 45.100 -0.005 0.000 0.860 542 G HN -0.012 8.278 8.290 -0.000 0.000 0.504 543 I N 0.415 120.982 120.570 -0.004 0.000 2.545 543 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 543 I C -0.579 175.534 176.117 -0.006 0.000 1.040 543 I CA -0.810 60.487 61.300 -0.004 0.000 1.068 543 I CB 2.270 40.270 38.000 0.001 0.000 1.251 543 I HN 0.303 8.513 8.210 -0.000 0.000 0.424 544 I N 4.712 125.276 120.570 -0.009 0.000 2.406 544 I HA 0.608 4.778 4.170 -0.000 0.000 0.290 544 I C -0.051 176.062 176.117 -0.007 0.000 0.999 544 I CA -0.537 60.757 61.300 -0.011 0.000 1.124 544 I CB 1.942 39.931 38.000 -0.019 0.000 1.289 544 I HN 0.596 8.806 8.210 -0.000 0.000 0.441 545 A N 6.415 129.232 122.820 -0.005 0.000 2.317 545 A HA 0.845 5.165 4.320 -0.000 0.000 0.327 545 A C -0.778 176.805 177.584 -0.003 0.000 1.178 545 A CA -0.485 51.551 52.037 -0.001 0.000 0.817 545 A CB 1.340 20.341 19.000 0.003 0.000 1.189 545 A HN 0.452 8.602 8.150 -0.000 0.000 0.489 546 V N 1.188 121.103 119.914 0.002 0.000 2.735 546 V HA 0.741 4.861 4.120 -0.000 0.000 0.310 546 V C 0.053 176.149 176.094 0.003 0.000 1.061 546 V CA -0.430 61.872 62.300 0.002 0.000 0.913 546 V CB 2.026 33.856 31.823 0.012 0.000 1.005 546 V HN 0.947 9.137 8.190 -0.000 0.000 0.428 547 S N 2.033 117.732 115.700 -0.002 0.000 2.536 547 S HA 0.618 5.088 4.470 -0.000 0.000 0.287 547 S C -1.744 172.850 174.600 -0.010 0.000 1.101 547 S CA -0.529 57.668 58.200 -0.005 0.000 0.950 547 S CB 1.713 64.910 63.200 -0.006 0.000 1.056 547 S HN 0.862 9.172 8.310 -0.000 0.000 0.481 548 D N 2.041 122.432 120.400 -0.015 0.000 2.492 548 D HA 0.425 5.065 4.640 -0.000 0.000 0.248 548 D C -0.543 175.741 176.300 -0.027 0.000 1.101 548 D CA -0.028 53.959 54.000 -0.022 0.000 0.840 548 D CB 1.683 42.466 40.800 -0.028 0.000 1.209 548 D HN 0.445 8.815 8.370 -0.000 0.000 0.524 549 T N 3.498 118.036 114.554 -0.027 0.000 2.916 549 T HA 0.172 4.522 4.350 -0.000 0.000 0.303 549 T C 0.818 175.494 174.700 -0.041 0.000 1.025 549 T CA -0.310 61.772 62.100 -0.030 0.000 1.142 549 T CB 0.296 69.148 68.868 -0.026 0.000 0.947 549 T HN 0.247 8.487 8.240 -0.000 0.000 0.544 550 L N 3.038 124.233 121.223 -0.047 0.000 2.514 550 L HA 0.093 4.433 4.340 -0.000 0.000 0.280 550 L C 1.141 177.972 176.870 -0.064 0.000 1.223 550 L CA -0.001 54.800 54.840 -0.065 0.000 0.864 550 L CB 0.166 42.182 42.059 -0.073 0.000 1.118 550 L HN 0.548 8.778 8.230 -0.000 0.000 0.494 551 K N 2.571 122.925 120.400 -0.076 0.000 2.469 551 K HA -0.051 4.269 4.320 -0.000 0.000 0.274 551 K C 0.988 177.548 176.600 -0.068 0.000 0.983 551 K CA -0.033 56.213 56.287 -0.068 0.000 0.974 551 K CB 0.533 32.986 32.500 -0.079 0.000 0.913 551 K HN 0.546 8.796 8.250 -0.000 0.000 0.493 552 E N 0.672 120.841 120.200 -0.051 0.000 2.209 552 E HA -0.188 4.162 4.350 -0.000 0.000 0.196 552 E C 1.631 178.200 176.600 -0.052 0.000 0.993 552 E CA 1.601 57.973 56.400 -0.046 0.000 0.819 552 E CB 0.051 29.731 29.700 -0.033 0.000 0.745 552 E HN 0.630 8.990 8.360 -0.000 0.000 0.477 553 S N 0.268 115.933 115.700 -0.059 0.000 2.522 553 S HA 0.104 4.574 4.470 -0.000 0.000 0.227 553 S C 2.042 176.584 174.600 -0.096 0.000 0.986 553 S CA 0.468 58.631 58.200 -0.062 0.000 0.929 553 S CB 0.244 63.415 63.200 -0.049 0.000 0.769 553 S HN 0.258 8.568 8.310 -0.000 0.000 0.529 554 A N 2.712 125.454 122.820 -0.130 0.000 1.845 554 A HA -0.075 4.245 4.320 -0.000 0.000 0.215 554 A C 2.213 179.698 177.584 -0.165 0.000 1.195 554 A CA 1.762 53.677 52.037 -0.204 0.000 0.616 554 A CB -0.832 18.038 19.000 -0.217 0.000 0.832 554 A HN 0.564 8.714 8.150 -0.000 0.000 0.443 555 K N -0.310 120.024 120.400 -0.109 0.000 2.009 555 K HA -0.114 4.205 4.320 -0.000 0.000 0.210 555 K C -0.764 175.802 176.600 -0.057 0.000 1.049 555 K CA 1.677 57.917 56.287 -0.077 0.000 0.929 555 K CB -0.776 31.691 32.500 -0.054 0.000 0.714 555 K HN 0.394 8.644 8.250 -0.000 0.000 0.440 556 P HA -0.145 4.275 4.420 -0.000 0.000 0.218 556 P C 0.920 178.207 177.300 -0.022 0.000 1.149 556 P CA 1.762 64.845 63.100 -0.029 0.000 0.817 556 P CB -0.018 31.667 31.700 -0.025 0.000 0.785 557 A N 0.072 122.871 122.820 -0.035 0.000 1.873 557 A HA -0.098 4.222 4.320 -0.000 0.000 0.215 557 A C 2.485 180.082 177.584 0.021 0.000 1.186 557 A CA 1.757 53.792 52.037 -0.004 0.000 0.616 557 A CB -1.620 17.370 19.000 -0.015 0.000 0.823 557 A HN 0.038 8.188 8.150 -0.000 0.000 0.442 558 V N 0.399 120.295 119.914 -0.030 0.000 2.287 558 V HA -0.356 3.764 4.120 -0.000 0.000 0.248 558 V C 2.782 178.890 176.094 0.024 0.000 1.053 558 V CA 2.443 64.749 62.300 0.010 0.000 1.027 558 V CB -0.936 30.858 31.823 -0.050 0.000 0.646 558 V HN 0.820 9.010 8.190 -0.000 0.000 0.447 559 Q N 0.054 119.855 119.800 0.003 0.000 2.096 559 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 559 Q C 2.190 178.199 176.000 0.016 0.000 0.982 559 Q CA 2.261 58.068 55.803 0.007 0.000 0.850 559 Q CB -0.153 28.584 28.738 -0.003 0.000 0.901 559 Q HN 0.749 9.019 8.270 -0.000 0.000 0.422 560 E N 0.365 120.576 120.200 0.018 0.000 2.072 560 E HA -0.173 4.177 4.350 -0.000 0.000 0.191 560 E C 2.214 178.832 176.600 0.031 0.000 0.985 560 E CA 1.252 57.665 56.400 0.022 0.000 0.801 560 E CB -0.127 29.586 29.700 0.022 0.000 0.750 560 E HN 0.402 8.762 8.360 -0.000 0.000 0.452 561 L N 1.066 122.318 121.223 0.048 0.000 2.042 561 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 561 L C 2.436 179.331 176.870 0.041 0.000 1.076 561 L CA 1.402 56.274 54.840 0.054 0.000 0.749 561 L CB -0.378 41.737 42.059 0.093 0.000 0.893 561 L HN 0.042 8.272 8.230 -0.000 0.000 0.432 562 K N -0.276 120.148 120.400 0.041 0.000 2.057 562 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 562 K C 2.251 178.865 176.600 0.023 0.000 1.049 562 K CA 1.160 57.467 56.287 0.032 0.000 0.931 562 K CB -0.140 32.378 32.500 0.030 0.000 0.714 562 K HN 0.235 8.485 8.250 -0.000 0.000 0.440 563 R N 0.360 120.872 120.500 0.020 0.000 2.127 563 R HA -0.067 4.273 4.340 -0.000 0.000 0.238 563 R C 2.011 178.320 176.300 0.014 0.000 1.134 563 R CA 1.363 57.472 56.100 0.015 0.000 0.975 563 R CB -0.215 30.093 30.300 0.013 0.000 0.865 563 R HN 0.236 8.506 8.270 -0.000 0.000 0.447 564 M N -0.658 118.952 119.600 0.017 0.000 2.659 564 M HA 0.084 4.564 4.480 -0.000 0.000 0.243 564 M C 0.878 177.186 176.300 0.013 0.000 1.111 564 M CA 0.832 56.141 55.300 0.014 0.000 1.070 564 M CB 0.648 33.257 32.600 0.015 0.000 1.525 564 M HN 0.419 8.709 8.290 -0.000 0.000 0.517 565 G N 1.588 110.397 108.800 0.015 0.000 2.137 565 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.237 565 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.237 565 G C -0.032 174.877 174.900 0.015 0.000 1.002 565 G CA -0.348 44.760 45.100 0.014 0.000 0.702 565 G HN 0.463 8.753 8.290 -0.000 0.000 0.515 566 I N 0.651 121.232 120.570 0.018 0.000 2.353 566 I HA 0.300 4.469 4.170 -0.000 0.000 0.293 566 I C 0.728 176.861 176.117 0.027 0.000 0.992 566 I CA -0.757 60.554 61.300 0.018 0.000 1.268 566 I CB 1.266 39.275 38.000 0.015 0.000 1.387 566 I HN -0.059 8.151 8.210 -0.000 0.000 0.478 567 K N 5.068 125.482 120.400 0.025 0.000 2.368 567 K HA 0.355 4.675 4.320 -0.000 0.000 0.282 567 K C -0.907 175.719 176.600 0.044 0.000 1.035 567 K CA -0.287 56.020 56.287 0.034 0.000 0.973 567 K CB 1.028 33.546 32.500 0.030 0.000 0.957 567 K HN 0.304 8.554 8.250 -0.000 0.000 0.474 568 V N 2.210 122.165 119.914 0.068 0.000 2.459 568 V HA 0.573 4.693 4.120 -0.000 0.000 0.295 568 V C 0.500 176.665 176.094 0.117 0.000 1.029 568 V CA -0.724 61.644 62.300 0.113 0.000 0.874 568 V CB 1.629 33.551 31.823 0.166 0.000 0.985 568 V HN 0.982 9.172 8.190 -0.000 0.000 0.438 569 G N 3.353 112.235 108.800 0.137 0.000 2.733 569 G HA2 0.800 4.760 3.960 -0.000 0.000 0.288 569 G HA3 0.800 4.760 3.960 -0.000 0.000 0.288 569 G C -1.380 173.618 174.900 0.163 0.000 1.373 569 G CA -0.759 44.413 45.100 0.121 0.000 0.895 569 G HN 0.662 8.952 8.290 -0.000 0.000 0.479 570 M N 0.569 120.234 119.600 0.108 0.000 2.446 570 M HA 0.731 5.211 4.480 -0.000 0.000 0.294 570 M C -2.025 174.303 176.300 0.046 0.000 1.158 570 M CA -0.924 54.432 55.300 0.092 0.000 0.899 570 M CB 2.424 35.055 32.600 0.052 0.000 1.687 570 M HN 0.523 8.813 8.290 -0.000 0.000 0.455 571 I N 2.897 123.500 120.570 0.055 0.000 2.474 571 I HA 0.712 4.882 4.170 -0.000 0.000 0.294 571 I C -1.179 174.938 176.117 -0.000 0.000 1.005 571 I CA 0.031 61.351 61.300 0.034 0.000 1.113 571 I CB 2.186 40.264 38.000 0.131 0.000 1.289 571 I HN 0.841 9.051 8.210 -0.000 0.000 0.436 572 T N 3.133 117.643 114.554 -0.075 0.000 2.889 572 T HA 0.415 4.765 4.350 -0.000 0.000 0.315 572 T C 0.489 175.119 174.700 -0.116 0.000 1.291 572 T CA -0.046 62.006 62.100 -0.079 0.000 1.028 572 T CB 1.442 70.254 68.868 -0.094 0.000 1.235 572 T HN 0.720 8.960 8.240 -0.000 0.000 0.491 573 G N 1.512 110.274 108.800 -0.063 0.000 2.813 573 G HA2 0.134 4.094 3.960 -0.000 0.000 0.209 573 G HA3 0.134 4.094 3.960 -0.000 0.000 0.209 573 G C 0.456 175.311 174.900 -0.075 0.000 1.150 573 G CA 0.032 45.094 45.100 -0.063 0.000 0.785 573 G HN 0.682 8.972 8.290 -0.000 0.000 0.535 574 D N 0.870 121.222 120.400 -0.080 0.000 2.371 574 D HA 0.093 4.733 4.640 -0.000 0.000 0.242 574 D C 0.760 176.984 176.300 -0.127 0.000 1.218 574 D CA -0.544 53.415 54.000 -0.067 0.000 0.945 574 D CB 0.481 41.255 40.800 -0.043 0.000 1.137 574 D HN 0.336 8.706 8.370 -0.000 0.000 0.464 575 N N -0.164 118.499 118.700 -0.061 0.000 2.479 575 N HA -0.012 4.728 4.740 -0.000 0.000 0.257 575 N C 0.704 176.198 175.510 -0.026 0.000 1.232 575 N CA -0.369 52.667 53.050 -0.023 0.000 0.920 575 N CB 0.365 38.878 38.487 0.044 0.000 1.105 575 N HN 0.504 8.884 8.380 -0.000 0.000 0.444 576 W N 0.418 121.727 121.300 0.016 0.000 2.321 576 W HA -0.123 4.537 4.660 -0.000 0.000 0.306 576 W C 2.669 179.196 176.519 0.013 0.000 1.217 576 W CA 1.018 58.372 57.345 0.015 0.000 1.257 576 W CB -0.135 29.333 29.460 0.013 0.000 1.145 576 W HN 0.638 8.818 8.180 -0.000 0.000 0.509 577 R N 0.029 120.675 120.500 0.243 0.000 2.073 577 R HA -0.189 4.151 4.340 -0.000 0.000 0.234 577 R C 2.484 178.843 176.300 0.098 0.000 1.134 577 R CA 1.902 58.091 56.100 0.149 0.000 0.952 577 R CB -0.829 29.532 30.300 0.103 0.000 0.850 577 R HN 0.060 8.330 8.270 -0.000 0.000 0.433 578 S N -0.310 115.429 115.700 0.067 0.000 2.368 578 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 578 S C 1.960 176.574 174.600 0.024 0.000 1.030 578 S CA 1.198 59.418 58.200 0.034 0.000 0.999 578 S CB -0.217 62.992 63.200 0.015 0.000 0.844 578 S HN 0.527 8.837 8.310 -0.000 0.000 0.459 579 A N 1.434 124.261 122.820 0.013 0.000 1.933 579 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 579 A C 2.087 179.697 177.584 0.044 0.000 1.175 579 A CA 1.508 53.536 52.037 -0.016 0.000 0.628 579 A CB -0.553 18.372 19.000 -0.124 0.000 0.814 579 A HN 0.591 8.741 8.150 -0.000 0.000 0.444 580 E N -0.194 120.073 120.200 0.111 0.000 2.274 580 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 580 E C 2.228 178.870 176.600 0.071 0.000 0.996 580 E CA 0.886 57.359 56.400 0.123 0.000 0.840 580 E CB -0.354 29.451 29.700 0.174 0.000 0.772 580 E HN 0.600 8.960 8.360 -0.000 0.000 0.491 581 A N 1.660 124.512 122.820 0.054 0.000 1.898 581 A HA -0.143 4.177 4.320 -0.000 0.000 0.216 581 A C 2.140 179.734 177.584 0.017 0.000 1.181 581 A CA 0.866 52.922 52.037 0.032 0.000 0.620 581 A CB -0.335 18.680 19.000 0.025 0.000 0.819 581 A HN 0.093 8.243 8.150 -0.000 0.000 0.442 582 I N 0.002 120.578 120.570 0.010 0.000 2.208 582 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 582 I C 2.714 178.830 176.117 -0.001 0.000 1.097 582 I CA 1.881 63.177 61.300 -0.007 0.000 1.363 582 I CB -1.539 36.448 38.000 -0.021 0.000 1.051 582 I HN 0.391 8.601 8.210 -0.000 0.000 0.413 583 S N 0.476 116.188 115.700 0.020 0.000 2.370 583 S HA -0.248 4.222 4.470 -0.000 0.000 0.226 583 S C 2.288 176.903 174.600 0.025 0.000 1.033 583 S CA 1.514 59.733 58.200 0.031 0.000 1.011 583 S CB -0.207 63.031 63.200 0.062 0.000 0.852 583 S HN 0.385 8.695 8.310 -0.000 0.000 0.457 584 R N 0.589 121.104 120.500 0.025 0.000 2.073 584 R HA -0.098 4.242 4.340 -0.000 0.000 0.234 584 R C 2.150 178.453 176.300 0.006 0.000 1.134 584 R CA 1.940 58.050 56.100 0.018 0.000 0.952 584 R CB -0.426 29.886 30.300 0.019 0.000 0.850 584 R HN 0.555 8.825 8.270 -0.000 0.000 0.433 585 E N 0.241 120.440 120.200 -0.002 0.000 2.118 585 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 585 E C 1.831 178.419 176.600 -0.020 0.000 0.992 585 E CA 1.301 57.693 56.400 -0.013 0.000 0.804 585 E CB -0.016 29.672 29.700 -0.020 0.000 0.741 585 E HN 0.399 8.759 8.360 -0.000 0.000 0.458 586 L N 0.238 121.448 121.223 -0.023 0.000 2.607 586 L HA 0.102 4.442 4.340 -0.000 0.000 0.228 586 L C 0.566 177.430 176.870 -0.011 0.000 1.123 586 L CA -0.202 54.619 54.840 -0.032 0.000 0.890 586 L CB -0.306 41.719 42.059 -0.057 0.000 1.103 586 L HN 0.198 8.428 8.230 -0.000 0.000 0.468 587 N N 1.721 120.421 118.700 0.002 0.000 2.688 587 N HA -0.196 4.544 4.740 -0.000 0.000 0.258 587 N C -0.218 175.305 175.510 0.023 0.000 1.016 587 N CA -0.303 52.755 53.050 0.013 0.000 0.747 587 N CB -0.509 37.984 38.487 0.011 0.000 0.895 587 N HN 0.298 8.678 8.380 -0.000 0.000 0.543 588 L N 0.484 121.724 121.223 0.029 0.000 2.467 588 L HA 0.059 4.399 4.340 -0.000 0.000 0.270 588 L C 1.511 178.413 176.870 0.053 0.000 1.205 588 L CA -0.221 54.647 54.840 0.046 0.000 0.828 588 L CB 0.396 42.486 42.059 0.053 0.000 1.101 588 L HN 0.247 8.477 8.230 -0.000 0.000 0.479 589 D N 1.782 122.218 120.400 0.059 0.000 2.305 589 D HA 0.178 4.818 4.640 -0.000 0.000 0.206 589 D C 0.022 176.361 176.300 0.065 0.000 0.974 589 D CA 1.012 55.045 54.000 0.055 0.000 0.871 589 D CB 0.564 41.394 40.800 0.050 0.000 0.947 589 D HN 0.244 8.614 8.370 -0.000 0.000 0.516 590 L N 0.616 121.886 121.223 0.078 0.000 2.493 590 L HA 0.386 4.726 4.340 -0.000 0.000 0.265 590 L C -1.059 175.873 176.870 0.103 0.000 0.954 590 L CA -0.730 54.165 54.840 0.092 0.000 0.844 590 L CB 3.137 45.245 42.059 0.081 0.000 1.302 590 L HN -0.386 7.844 8.230 -0.000 0.000 0.405 591 V N 4.055 124.054 119.914 0.141 0.000 2.540 591 V HA 0.549 4.669 4.120 -0.000 0.000 0.302 591 V C -0.378 175.787 176.094 0.120 0.000 1.035 591 V CA -0.332 62.040 62.300 0.119 0.000 0.873 591 V CB 2.320 34.239 31.823 0.161 0.000 0.992 591 V HN 0.520 8.710 8.190 -0.000 0.000 0.428 592 I N 4.226 124.767 120.570 -0.048 0.000 2.448 592 I HA 0.768 4.938 4.170 -0.000 0.000 0.281 592 I C 0.201 176.065 176.117 -0.422 0.000 1.027 592 I CA -0.249 60.982 61.300 -0.114 0.000 1.111 592 I CB 1.583 39.586 38.000 0.005 0.000 1.236 592 I HN 0.687 8.897 8.210 -0.000 0.000 0.452 593 A N 3.861 126.043 122.820 -1.064 0.000 2.344 593 A HA 0.724 5.044 4.320 -0.000 0.000 0.307 593 A C 0.336 177.422 177.584 -0.830 0.000 1.151 593 A CA -0.422 50.964 52.037 -1.086 0.000 0.842 593 A CB 0.774 18.888 19.000 -1.476 0.000 1.350 593 A HN 0.788 8.938 8.150 -0.000 0.000 0.459 594 E N -1.368 118.525 120.200 -0.512 0.000 2.586 594 E HA -0.148 4.201 4.350 -0.000 0.000 0.259 594 E C -0.629 175.902 176.600 -0.115 0.000 1.107 594 E CA 0.552 56.820 56.400 -0.221 0.000 0.754 594 E CB -1.901 27.742 29.700 -0.094 0.000 1.335 594 E HN 0.381 8.741 8.360 -0.000 0.000 0.411 595 V N 1.555 121.387 119.914 -0.137 0.000 2.461 595 V HA 0.168 4.288 4.120 -0.000 0.000 0.275 595 V C 0.941 176.986 176.094 -0.083 0.000 1.047 595 V CA -0.281 61.961 62.300 -0.097 0.000 0.955 595 V CB 0.971 32.736 31.823 -0.096 0.000 0.988 595 V HN 0.165 8.355 8.190 -0.000 0.000 0.471 596 L N 7.051 128.213 121.223 -0.103 0.000 2.461 596 L HA 0.148 4.488 4.340 -0.000 0.000 0.272 596 L C -1.119 175.680 176.870 -0.117 0.000 1.197 596 L CA -1.172 53.613 54.840 -0.091 0.000 0.836 596 L CB 0.144 42.143 42.059 -0.100 0.000 1.105 596 L HN 0.429 8.659 8.230 -0.000 0.000 0.477 597 P HA -0.246 4.174 4.420 -0.000 0.000 0.216 597 P C 1.399 178.692 177.300 -0.012 0.000 1.157 597 P CA 1.634 64.740 63.100 0.010 0.000 0.880 597 P CB -0.178 31.561 31.700 0.064 0.000 0.791 598 H N -1.330 117.736 119.070 -0.007 0.000 2.521 598 H HA 0.003 4.559 4.556 -0.000 0.000 0.286 598 H C 1.272 176.584 175.328 -0.027 0.000 1.034 598 H CA 0.864 56.902 56.048 -0.017 0.000 1.278 598 H CB -0.434 29.322 29.762 -0.011 0.000 1.386 598 H HN 0.162 8.442 8.280 -0.000 0.000 0.567 599 Q N 1.103 120.575 119.800 -0.546 0.000 2.425 599 Q HA 0.071 4.411 4.340 -0.000 0.000 0.204 599 Q C 1.849 177.738 176.000 -0.186 0.000 0.933 599 Q CA 0.071 55.645 55.803 -0.382 0.000 0.939 599 Q CB 0.315 28.805 28.738 -0.412 0.000 1.044 599 Q HN 0.582 8.852 8.270 -0.000 0.000 0.513 600 K N 0.538 120.845 120.400 -0.155 0.000 2.063 600 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 600 K C 2.203 178.686 176.600 -0.195 0.000 1.048 600 K CA 1.730 57.935 56.287 -0.138 0.000 0.928 600 K CB -0.043 32.390 32.500 -0.112 0.000 0.713 600 K HN 0.186 8.436 8.250 -0.000 0.000 0.442 601 S N 1.165 116.745 115.700 -0.200 0.000 2.402 601 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 601 S C 1.774 176.299 174.600 -0.124 0.000 1.021 601 S CA 0.836 58.914 58.200 -0.202 0.000 0.974 601 S CB -0.132 62.975 63.200 -0.155 0.000 0.800 601 S HN 0.179 8.489 8.310 -0.000 0.000 0.484 602 E N 1.371 121.518 120.200 -0.089 0.000 2.106 602 E HA -0.067 4.283 4.350 -0.000 0.000 0.192 602 E C 2.130 178.702 176.600 -0.046 0.000 0.984 602 E CA 0.920 57.288 56.400 -0.054 0.000 0.806 602 E CB -0.259 29.418 29.700 -0.038 0.000 0.750 602 E HN 0.630 8.990 8.360 -0.000 0.000 0.458 603 E N 0.494 120.661 120.200 -0.055 0.000 2.107 603 E HA -0.081 4.269 4.350 -0.000 0.000 0.191 603 E C 2.362 178.952 176.600 -0.017 0.000 0.982 603 E CA 0.381 56.767 56.400 -0.024 0.000 0.809 603 E CB -0.205 29.486 29.700 -0.015 0.000 0.756 603 E HN 0.084 8.444 8.360 -0.000 0.000 0.459 604 V N 1.920 121.804 119.914 -0.050 0.000 2.287 604 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 604 V C 2.576 178.653 176.094 -0.028 0.000 1.053 604 V CA 2.030 64.305 62.300 -0.041 0.000 1.027 604 V CB -0.485 31.264 31.823 -0.123 0.000 0.646 604 V HN 0.231 8.421 8.190 -0.000 0.000 0.447 605 K N 0.057 120.433 120.400 -0.041 0.000 2.032 605 K HA -0.246 4.074 4.320 -0.000 0.000 0.209 605 K C 2.285 178.880 176.600 -0.009 0.000 1.048 605 K CA 1.758 58.030 56.287 -0.025 0.000 0.927 605 K CB -0.159 32.325 32.500 -0.027 0.000 0.712 605 K HN 0.399 8.649 8.250 -0.000 0.000 0.441 606 K N 0.399 120.796 120.400 -0.004 0.000 2.032 606 K HA -0.193 4.127 4.320 -0.000 0.000 0.209 606 K C 2.130 178.738 176.600 0.012 0.000 1.048 606 K CA 1.407 57.698 56.287 0.007 0.000 0.927 606 K CB -0.289 32.219 32.500 0.013 0.000 0.712 606 K HN 0.115 8.365 8.250 -0.000 0.000 0.441 607 L N 1.994 123.227 121.223 0.016 0.000 2.131 607 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 607 L C 1.977 178.856 176.870 0.015 0.000 1.092 607 L CA 1.660 56.513 54.840 0.022 0.000 0.759 607 L CB -0.395 41.683 42.059 0.031 0.000 0.903 607 L HN 0.175 8.405 8.230 -0.000 0.000 0.435 608 Q N -1.078 118.727 119.800 0.009 0.000 2.364 608 Q HA -0.103 4.237 4.340 -0.000 0.000 0.207 608 Q C 2.174 178.177 176.000 0.005 0.000 0.970 608 Q CA 0.906 56.712 55.803 0.005 0.000 0.888 608 Q CB -0.234 28.503 28.738 -0.001 0.000 0.951 608 Q HN 0.676 8.946 8.270 -0.000 0.000 0.469 609 A N 2.081 124.904 122.820 0.006 0.000 2.024 609 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 609 A C 1.926 179.515 177.584 0.007 0.000 1.164 609 A CA 1.915 53.956 52.037 0.006 0.000 0.643 609 A CB -0.193 18.812 19.000 0.008 0.000 0.806 609 A HN 0.417 8.567 8.150 -0.000 0.000 0.451 610 K N -2.097 118.309 120.400 0.010 0.000 2.491 610 K HA 0.232 4.552 4.320 -0.000 0.000 0.211 610 K C -0.412 176.194 176.600 0.010 0.000 1.210 610 K CA -0.183 56.110 56.287 0.010 0.000 1.003 610 K CB 0.543 33.051 32.500 0.012 0.000 1.009 610 K HN 0.216 8.466 8.250 -0.000 0.000 0.577 611 E N 1.210 121.416 120.200 0.011 0.000 2.320 611 E HA 0.300 4.650 4.350 -0.000 0.000 0.264 611 E C -0.989 175.615 176.600 0.007 0.000 0.923 611 E CA -1.003 55.403 56.400 0.010 0.000 0.796 611 E CB 2.628 32.336 29.700 0.014 0.000 1.262 611 E HN -0.090 8.270 8.360 -0.000 0.000 0.428 612 V N 1.729 121.646 119.914 0.005 0.000 2.348 612 V HA 0.217 4.337 4.120 -0.000 0.000 0.270 612 V C -0.161 175.934 176.094 0.001 0.000 1.037 612 V CA -0.620 61.681 62.300 0.002 0.000 0.872 612 V CB 1.237 33.060 31.823 0.000 0.000 1.002 612 V HN 0.330 8.520 8.190 -0.000 0.000 0.464 613 V N 4.690 124.606 119.914 0.005 0.000 2.417 613 V HA 0.710 4.830 4.120 -0.000 0.000 0.291 613 V C 0.454 176.554 176.094 0.010 0.000 1.024 613 V CA -0.567 61.738 62.300 0.010 0.000 0.861 613 V CB 1.718 33.557 31.823 0.026 0.000 0.985 613 V HN 0.921 9.111 8.190 -0.000 0.000 0.436 614 A N 5.212 128.021 122.820 -0.017 0.000 2.274 614 A HA 0.756 5.076 4.320 -0.000 0.000 0.309 614 A C -0.977 176.588 177.584 -0.033 0.000 1.226 614 A CA -0.301 51.716 52.037 -0.034 0.000 0.853 614 A CB 0.365 19.309 19.000 -0.092 0.000 1.146 614 A HN 0.756 8.906 8.150 -0.000 0.000 0.518 615 F N 3.613 123.485 119.950 -0.130 0.000 2.427 615 F HA 0.581 5.108 4.527 -0.000 0.000 0.346 615 F C -0.610 175.096 175.800 -0.157 0.000 1.120 615 F CA -0.608 57.308 58.000 -0.140 0.000 1.033 615 F CB 1.656 40.607 39.000 -0.082 0.000 1.126 615 F HN 0.303 8.603 8.300 -0.000 0.000 0.462 616 V N 6.507 125.879 119.914 -0.904 0.000 2.357 616 V HA 0.834 4.954 4.120 -0.000 0.000 0.284 616 V C 0.227 175.881 176.094 -0.733 0.000 1.018 616 V CA -0.035 61.878 62.300 -0.644 0.000 0.841 616 V CB 0.511 31.948 31.823 -0.644 0.000 0.991 616 V HN 1.038 9.228 8.190 -0.000 0.000 0.437 617 G N 3.563 112.161 108.800 -0.336 0.000 2.815 617 G HA2 0.593 4.553 3.960 -0.000 0.000 0.305 617 G HA3 0.593 4.553 3.960 -0.000 0.000 0.305 617 G C -1.713 173.188 174.900 0.001 0.000 1.277 617 G CA -0.503 44.511 45.100 -0.143 0.000 0.795 617 G HN 0.658 8.948 8.290 -0.000 0.000 0.528 618 D N -0.817 119.615 120.400 0.053 0.000 2.198 618 D HA 0.450 5.089 4.640 -0.000 0.000 0.245 618 D C 1.082 177.419 176.300 0.062 0.000 1.079 618 D CA -0.250 53.775 54.000 0.041 0.000 0.854 618 D CB 1.405 42.221 40.800 0.026 0.000 1.148 618 D HN 0.599 8.969 8.370 -0.000 0.000 0.456 619 G N 2.032 110.859 108.800 0.046 0.000 3.094 619 G HA2 0.020 3.979 3.960 -0.000 0.000 0.208 619 G HA3 0.020 3.979 3.960 -0.000 0.000 0.208 619 G C 0.737 175.662 174.900 0.041 0.000 1.189 619 G CA 0.091 45.221 45.100 0.049 0.000 0.856 619 G HN 0.546 8.836 8.290 -0.000 0.000 0.510 620 I N -0.246 120.348 120.570 0.040 0.000 3.570 620 I HA 0.089 4.259 4.170 -0.000 0.000 0.270 620 I C 1.392 177.528 176.117 0.032 0.000 1.162 620 I CA 0.401 61.719 61.300 0.029 0.000 1.413 620 I CB -0.663 37.349 38.000 0.021 0.000 1.437 620 I HN 0.012 8.222 8.210 -0.000 0.000 0.457 621 N N 1.446 120.169 118.700 0.040 0.000 2.373 621 N HA -0.042 4.698 4.740 -0.000 0.000 0.181 621 N C -0.130 175.411 175.510 0.051 0.000 1.082 621 N CA 0.645 53.719 53.050 0.040 0.000 0.885 621 N CB 0.391 38.899 38.487 0.035 0.000 0.977 621 N HN 0.487 8.867 8.380 -0.000 0.000 0.462 622 D N -1.050 119.396 120.400 0.076 0.000 2.720 622 D HA 0.293 4.933 4.640 -0.000 0.000 0.285 622 D C 1.069 177.394 176.300 0.042 0.000 1.359 622 D CA -0.392 53.657 54.000 0.082 0.000 0.818 622 D CB -0.123 40.819 40.800 0.235 0.000 1.108 622 D HN -0.071 8.299 8.370 -0.000 0.000 0.474 623 A N 1.432 124.269 122.820 0.027 0.000 1.927 623 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 623 A C -0.168 177.394 177.584 -0.037 0.000 1.185 623 A CA 1.464 53.505 52.037 0.008 0.000 0.639 623 A CB -1.450 17.555 19.000 0.009 0.000 0.820 623 A HN 0.280 8.430 8.150 -0.000 0.000 0.451 624 P HA -0.119 4.301 4.420 -0.000 0.000 0.215 624 P C 1.753 178.950 177.300 -0.171 0.000 1.153 624 P CA 1.942 64.989 63.100 -0.088 0.000 0.853 624 P CB -0.126 31.532 31.700 -0.071 0.000 0.788 625 A N -0.778 121.857 122.820 -0.309 0.000 1.930 625 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 625 A C 2.204 179.487 177.584 -0.502 0.000 1.175 625 A CA 1.304 52.961 52.037 -0.634 0.000 0.627 625 A CB -1.638 16.555 19.000 -1.345 0.000 0.815 625 A HN 0.098 8.248 8.150 -0.000 0.000 0.443 626 L N -0.752 120.341 121.223 -0.218 0.000 2.042 626 L HA -0.227 4.112 4.340 -0.000 0.000 0.210 626 L C 3.079 179.943 176.870 -0.009 0.000 1.076 626 L CA 1.188 56.052 54.840 0.040 0.000 0.749 626 L CB -0.482 41.645 42.059 0.112 0.000 0.893 626 L HN 0.447 8.677 8.230 -0.000 0.000 0.432 627 A N -0.672 122.121 122.820 -0.045 0.000 1.897 627 A HA -0.247 4.073 4.320 -0.000 0.000 0.215 627 A C 2.200 179.757 177.584 -0.045 0.000 1.181 627 A CA 1.590 53.606 52.037 -0.034 0.000 0.620 627 A CB -0.477 18.503 19.000 -0.034 0.000 0.821 627 A HN 0.384 8.534 8.150 -0.000 0.000 0.443 628 Q N 0.573 120.325 119.800 -0.080 0.000 2.084 628 Q HA 0.083 4.423 4.340 -0.000 0.000 0.202 628 Q C 1.079 177.046 176.000 -0.055 0.000 0.978 628 Q CA 1.133 56.890 55.803 -0.076 0.000 0.844 628 Q CB -0.798 27.871 28.738 -0.115 0.000 0.898 628 Q HN 0.594 8.864 8.270 -0.000 0.000 0.426 629 A N 0.844 123.632 122.820 -0.053 0.000 2.520 629 A HA -0.041 4.278 4.320 -0.000 0.000 0.235 629 A C 0.649 178.236 177.584 0.004 0.000 1.065 629 A CA 0.366 52.401 52.037 -0.003 0.000 0.764 629 A CB -0.002 19.038 19.000 0.067 0.000 1.002 629 A HN 0.490 8.640 8.150 -0.000 0.000 0.502 630 D N -0.466 119.938 120.400 0.007 0.000 2.149 630 D HA -0.097 4.543 4.640 -0.000 0.000 0.198 630 D C 0.127 176.431 176.300 0.006 0.000 0.990 630 D CA 1.579 55.581 54.000 0.003 0.000 0.839 630 D CB 0.022 40.823 40.800 0.002 0.000 0.948 630 D HN 0.314 8.684 8.370 -0.000 0.000 0.460 631 L N 0.308 121.538 121.223 0.011 0.000 2.404 631 L HA 0.478 4.818 4.340 -0.000 0.000 0.272 631 L C -0.437 176.450 176.870 0.028 0.000 0.980 631 L CA -0.465 54.381 54.840 0.009 0.000 0.836 631 L CB 2.018 44.073 42.059 -0.006 0.000 1.238 631 L HN -0.160 8.070 8.230 -0.000 0.000 0.408 632 G N 6.071 114.894 108.800 0.038 0.000 2.322 632 G HA2 0.611 4.571 3.960 -0.000 0.000 0.309 632 G HA3 0.611 4.571 3.960 -0.000 0.000 0.309 632 G C -0.786 174.137 174.900 0.038 0.000 1.121 632 G CA -0.361 44.784 45.100 0.075 0.000 0.886 632 G HN 0.567 8.857 8.290 -0.000 0.000 0.447 633 I N 2.047 122.627 120.570 0.016 0.000 2.418 633 I HA 0.453 4.622 4.170 -0.000 0.000 0.287 633 I C 0.443 176.552 176.117 -0.014 0.000 1.008 633 I CA -0.827 60.462 61.300 -0.018 0.000 1.104 633 I CB 2.055 40.016 38.000 -0.065 0.000 1.264 633 I HN 0.527 8.737 8.210 -0.000 0.000 0.438 634 A N 6.488 129.312 122.820 0.007 0.000 2.309 634 A HA 0.757 5.077 4.320 -0.000 0.000 0.298 634 A C -0.466 177.121 177.584 0.005 0.000 1.165 634 A CA -0.410 51.635 52.037 0.013 0.000 0.821 634 A CB 1.021 20.036 19.000 0.025 0.000 1.102 634 A HN 0.473 8.623 8.150 -0.000 0.000 0.500 635 V N 1.365 121.283 119.914 0.006 0.000 2.513 635 V HA 0.657 4.777 4.120 -0.000 0.000 0.299 635 V C 1.021 177.120 176.094 0.008 0.000 1.035 635 V CA 0.633 62.940 62.300 0.011 0.000 0.889 635 V CB 1.248 33.084 31.823 0.023 0.000 0.988 635 V HN 1.957 10.147 8.190 -0.000 0.000 0.440 636 G N 3.796 112.600 108.800 0.007 0.000 2.256 636 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.272 636 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.272 636 G C 0.934 175.836 174.900 0.003 0.000 1.076 636 G CA 0.686 45.788 45.100 0.003 0.000 0.882 636 G HN 1.231 9.521 8.290 -0.000 0.000 0.497 637 S N -0.608 115.094 115.700 0.005 0.000 2.423 637 S HA 0.365 4.835 4.470 -0.000 0.000 0.231 637 S C 2.208 176.810 174.600 0.003 0.000 1.014 637 S CA 1.273 59.476 58.200 0.005 0.000 0.965 637 S CB -0.110 63.094 63.200 0.007 0.000 0.785 637 S HN 2.598 10.908 8.310 -0.000 0.000 0.495 638 G N 1.060 109.861 108.800 0.002 0.000 2.750 638 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.228 638 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.228 638 G C 0.603 175.504 174.900 0.002 0.000 1.367 638 G CA 0.488 45.588 45.100 0.001 0.000 0.871 638 G HN 1.293 9.583 8.290 -0.000 0.000 0.560 639 S N -0.845 114.856 115.700 0.001 0.000 2.522 639 S HA 0.129 4.599 4.470 -0.000 0.000 0.227 639 S C 0.622 175.223 174.600 0.002 0.000 0.986 639 S CA 1.546 59.747 58.200 0.001 0.000 0.929 639 S CB 0.228 63.428 63.200 0.001 0.000 0.769 639 S HN 0.848 9.158 8.310 -0.000 0.000 0.529 640 D N 1.980 122.382 120.400 0.002 0.000 2.349 640 D HA 0.277 4.917 4.640 -0.000 0.000 0.232 640 D C 0.551 176.854 176.300 0.004 0.000 1.071 640 D CA -0.361 53.641 54.000 0.003 0.000 0.832 640 D CB 1.976 42.777 40.800 0.003 0.000 1.086 640 D HN 0.188 8.558 8.370 -0.000 0.000 0.504 641 V N 1.963 121.880 119.914 0.004 0.000 3.271 641 V HA 0.364 4.484 4.120 -0.000 0.000 0.327 641 V C 1.679 177.776 176.094 0.006 0.000 1.389 641 V CA 0.389 62.692 62.300 0.005 0.000 1.156 641 V CB 0.026 31.852 31.823 0.005 0.000 1.103 641 V HN 0.469 8.659 8.190 -0.000 0.000 0.453 642 A N 1.821 124.644 122.820 0.005 0.000 1.908 642 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 642 A C 2.131 179.719 177.584 0.006 0.000 1.181 642 A CA 2.690 54.730 52.037 0.005 0.000 0.627 642 A CB -0.440 18.562 19.000 0.004 0.000 0.818 642 A HN 1.416 9.566 8.150 -0.000 0.000 0.445 643 V N -3.462 116.456 119.914 0.007 0.000 3.605 643 V HA 0.282 4.402 4.120 -0.000 0.000 0.284 643 V C 0.087 176.187 176.094 0.011 0.000 1.386 643 V CA -0.003 62.301 62.300 0.008 0.000 1.053 643 V CB -0.421 31.407 31.823 0.008 0.000 0.857 643 V HN 0.276 8.466 8.190 -0.000 0.000 0.436 644 E N 2.472 122.679 120.200 0.012 0.000 2.417 644 E HA 0.344 4.694 4.350 -0.000 0.000 0.261 644 E C 0.370 176.981 176.600 0.017 0.000 1.000 644 E CA 0.362 56.772 56.400 0.016 0.000 0.919 644 E CB 0.796 30.505 29.700 0.015 0.000 0.955 644 E HN 0.535 8.895 8.360 -0.000 0.000 0.455 645 S N 1.494 117.208 115.700 0.023 0.000 2.617 645 S HA 0.773 5.243 4.470 -0.000 0.000 0.269 645 S C 0.192 174.810 174.600 0.031 0.000 1.292 645 S CA 0.027 58.241 58.200 0.024 0.000 1.010 645 S CB 1.287 64.502 63.200 0.024 0.000 0.944 645 S HN 0.733 9.043 8.310 -0.000 0.000 0.536 646 G N 0.932 109.748 108.800 0.027 0.000 2.335 646 G HA2 0.026 3.986 3.960 -0.000 0.000 0.592 646 G HA3 0.026 3.986 3.960 -0.000 0.000 0.592 646 G C -0.448 174.463 174.900 0.019 0.000 1.442 646 G CA -0.705 44.414 45.100 0.031 0.000 0.976 646 G HN 0.546 8.836 8.290 -0.000 0.000 0.652 647 D N -0.613 119.798 120.400 0.017 0.000 2.194 647 D HA 0.037 4.677 4.640 -0.000 0.000 0.204 647 D C 1.119 177.423 176.300 0.007 0.000 0.964 647 D CA 1.298 55.304 54.000 0.010 0.000 0.846 647 D CB 0.582 41.387 40.800 0.008 0.000 0.962 647 D HN 0.383 8.753 8.370 -0.000 0.000 0.490 648 I N 0.820 121.394 120.570 0.006 0.000 2.582 648 I HA 0.203 4.373 4.170 -0.000 0.000 0.292 648 I C -0.861 175.259 176.117 0.005 0.000 1.066 648 I CA -0.766 60.536 61.300 0.003 0.000 1.053 648 I CB 3.160 41.158 38.000 -0.002 0.000 1.241 648 I HN -0.398 7.812 8.210 -0.000 0.000 0.421 649 V N 6.755 126.673 119.914 0.006 0.000 2.487 649 V HA 0.441 4.561 4.120 -0.000 0.000 0.298 649 V C -0.187 175.910 176.094 0.006 0.000 1.028 649 V CA -0.552 61.752 62.300 0.007 0.000 0.860 649 V CB 1.969 33.798 31.823 0.009 0.000 0.991 649 V HN 0.451 8.641 8.190 -0.000 0.000 0.427 650 L N 5.378 126.605 121.223 0.006 0.000 2.275 650 L HA 0.418 4.758 4.340 -0.000 0.000 0.288 650 L C 1.044 177.918 176.870 0.006 0.000 1.046 650 L CA -0.626 54.218 54.840 0.007 0.000 0.805 650 L CB 1.348 43.413 42.059 0.010 0.000 1.193 650 L HN 0.496 8.726 8.230 -0.000 0.000 0.426 651 I N 1.489 122.062 120.570 0.005 0.000 2.179 651 I HA -0.091 4.079 4.170 -0.000 0.000 0.242 651 I C 1.557 177.676 176.117 0.003 0.000 1.088 651 I CA 1.276 62.578 61.300 0.004 0.000 1.357 651 I CB -0.714 37.288 38.000 0.003 0.000 1.051 651 I HN 0.657 8.867 8.210 -0.000 0.000 0.409 652 R N 1.098 121.599 120.500 0.003 0.000 2.543 652 R HA 0.096 4.436 4.340 -0.000 0.000 0.268 652 R C 0.674 176.975 176.300 0.002 0.000 1.067 652 R CA -0.559 55.541 56.100 0.001 0.000 1.142 652 R CB 0.655 30.955 30.300 0.000 0.000 1.110 652 R HN 0.086 8.356 8.270 -0.000 0.000 0.549 653 D N 0.216 120.615 120.400 -0.003 0.000 2.323 653 D HA -0.079 4.560 4.640 -0.000 0.000 0.209 653 D C -0.058 176.238 176.300 -0.007 0.000 0.973 653 D CA 0.895 54.892 54.000 -0.006 0.000 0.874 653 D CB -0.009 40.783 40.800 -0.012 0.000 0.930 653 D HN 0.397 8.767 8.370 -0.000 0.000 0.521 654 D N 0.946 121.343 120.400 -0.006 0.000 2.382 654 D HA -0.025 4.615 4.640 -0.000 0.000 0.259 654 D C 1.386 177.687 176.300 0.001 0.000 1.224 654 D CA -0.022 53.973 54.000 -0.009 0.000 0.894 654 D CB 0.809 41.605 40.800 -0.006 0.000 1.127 654 D HN 0.068 8.438 8.370 -0.000 0.000 0.487 655 L N 3.957 125.175 121.223 -0.008 0.000 2.465 655 L HA -0.042 4.298 4.340 -0.000 0.000 0.224 655 L C 2.365 179.257 176.870 0.036 0.000 1.145 655 L CA 0.386 55.238 54.840 0.019 0.000 0.834 655 L CB -0.109 41.922 42.059 -0.048 0.000 0.944 655 L HN 0.305 8.535 8.230 -0.000 0.000 0.451 656 R N 0.035 120.542 120.500 0.012 0.000 2.193 656 R HA -0.144 4.196 4.340 -0.000 0.000 0.229 656 R C 1.424 177.738 176.300 0.024 0.000 1.110 656 R CA 1.088 57.198 56.100 0.017 0.000 0.988 656 R CB -0.268 30.034 30.300 0.004 0.000 0.871 656 R HN 0.344 8.614 8.270 -0.000 0.000 0.458 657 D N -0.026 120.388 120.400 0.023 0.000 2.219 657 D HA -0.087 4.553 4.640 -0.000 0.000 0.205 657 D C 1.830 178.147 176.300 0.027 0.000 0.970 657 D CA 0.711 54.723 54.000 0.020 0.000 0.851 657 D CB -0.002 40.807 40.800 0.015 0.000 0.943 657 D HN -0.007 8.363 8.370 -0.000 0.000 0.488 658 V N 0.511 120.454 119.914 0.048 0.000 2.295 658 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 658 V C 2.614 178.731 176.094 0.039 0.000 1.049 658 V CA 1.077 63.408 62.300 0.050 0.000 1.024 658 V CB -0.508 31.384 31.823 0.114 0.000 0.648 658 V HN 0.075 8.265 8.190 -0.000 0.000 0.447 659 V N 0.526 120.473 119.914 0.054 0.000 2.287 659 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 659 V C 2.748 178.855 176.094 0.022 0.000 1.053 659 V CA 2.165 64.489 62.300 0.039 0.000 1.027 659 V CB -1.350 30.498 31.823 0.041 0.000 0.646 659 V HN 0.562 8.752 8.190 -0.000 0.000 0.447 660 A N 0.021 122.852 122.820 0.019 0.000 1.908 660 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 660 A C 2.441 180.030 177.584 0.008 0.000 1.181 660 A CA 2.358 54.402 52.037 0.012 0.000 0.627 660 A CB -0.854 18.152 19.000 0.010 0.000 0.818 660 A HN 0.603 8.753 8.150 -0.000 0.000 0.445 661 A N -0.043 122.781 122.820 0.008 0.000 1.858 661 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 661 A C 2.119 179.703 177.584 0.000 0.000 1.190 661 A CA 1.601 53.640 52.037 0.003 0.000 0.617 661 A CB -0.651 18.349 19.000 0.000 0.000 0.827 661 A HN 0.501 8.651 8.150 -0.000 0.000 0.443 662 I N -0.552 120.017 120.570 -0.001 0.000 2.361 662 I HA -0.284 3.886 4.170 -0.000 0.000 0.251 662 I C 2.621 178.739 176.117 0.001 0.000 1.133 662 I CA 1.293 62.591 61.300 -0.003 0.000 1.413 662 I CB -0.365 37.631 38.000 -0.006 0.000 1.073 662 I HN 0.440 8.650 8.210 -0.000 0.000 0.424 663 Q N 0.388 120.191 119.800 0.005 0.000 2.369 663 Q HA -0.092 4.248 4.340 -0.000 0.000 0.206 663 Q C 2.346 178.348 176.000 0.004 0.000 0.963 663 Q CA 0.857 56.663 55.803 0.005 0.000 0.894 663 Q CB 0.024 28.767 28.738 0.007 0.000 0.965 663 Q HN 0.564 8.834 8.270 -0.000 0.000 0.475 664 L N 0.430 121.655 121.223 0.003 0.000 2.127 664 L HA -0.211 4.129 4.340 -0.000 0.000 0.211 664 L C 2.455 179.326 176.870 0.001 0.000 1.089 664 L CA 1.519 56.360 54.840 0.002 0.000 0.757 664 L CB -0.448 41.612 42.059 0.001 0.000 0.899 664 L HN 0.282 8.512 8.230 -0.000 0.000 0.434 665 S N -1.391 114.309 115.700 0.001 0.000 2.528 665 S HA 0.103 4.572 4.470 -0.000 0.000 0.219 665 S C 0.928 175.529 174.600 0.001 0.000 0.985 665 S CA -0.370 57.831 58.200 0.000 0.000 0.914 665 S CB 0.181 63.380 63.200 -0.001 0.000 0.776 665 S HN 0.309 8.619 8.310 -0.000 0.000 0.526 666 R N 1.283 121.784 120.500 0.002 0.000 2.919 666 R HA 0.455 4.795 4.340 -0.000 0.000 0.260 666 R C -0.175 176.127 176.300 0.003 0.000 1.067 666 R CA -1.209 54.893 56.100 0.002 0.000 1.003 666 R CB 0.763 31.065 30.300 0.003 0.000 1.192 666 R HN 0.181 8.451 8.270 -0.000 0.000 0.488 667 K N 0.000 120.402 120.400 0.003 0.000 2.780 667 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 667 K CA 0.000 56.289 56.287 0.003 0.000 0.838 667 K CB 0.000 32.502 32.500 0.003 0.000 1.064 667 K HN 0.000 8.250 8.250 -0.000 0.000 0.543