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 3nuh_1_B DATA FIRST_RESID 402 DATA SEQUENCE GLPGKLADCQ ERDPALSELY LVEGDSAGGS AKQGRNRKNQ AILPLKGXXX DATA SEQUENCE XXXXXXXXXX LSSQEVATLI TALGXXXXXX XXXXXXXRYH SIIIXTDADV DATA SEQUENCE DGSHIRTLLL TFFYRQXPEI VERGHVYIAQ PPLYKVKKGK QEQYIKDDEA DATA SEQUENCE XDQYQISIAL DGATLHTNAS APALAGEALE KLVSEYNATQ KXINRXERRY DATA SEQUENCE PKAXLKELIY QPTLTEADLS DEQTVTRWVN ALVSELNDKE QHGSQWKFDV DATA SEQUENCE HTNAXXXLFE PIVRVRTHGV DTDYPLDHEF ITGGEYRRIC TLGEKLRGLL DATA SEQUENCE EEDAFIERGE RRQPVASFEQ ALDWLVKESR RGLSIQRYKG LGEXNPEQLW DATA SEQUENCE ETTXDPESRR XLRVTVKDAI AADQLFTTLX GDA 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 402 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 402 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 402 G C 0.000 174.909 174.900 0.016 0.000 0.946 402 G CA 0.000 45.107 45.100 0.012 0.000 0.502 403 L N 1.226 122.462 121.223 0.021 0.000 2.084 403 L HA 0.360 4.701 4.340 0.001 0.000 0.202 403 L C -1.386 175.501 176.870 0.028 0.000 1.074 403 L CA 1.167 56.025 54.840 0.029 0.000 0.757 403 L CB -1.050 41.032 42.059 0.039 0.000 0.918 403 L HN 0.301 8.531 8.230 0.000 0.000 0.444 404 P HA 0.262 4.682 4.420 0.000 0.000 0.264 404 P C 0.497 177.808 177.300 0.018 0.000 1.193 404 P CA 1.384 64.499 63.100 0.024 0.000 0.763 404 P CB 0.423 32.136 31.700 0.021 0.000 0.810 405 G N 2.978 111.788 108.800 0.017 0.000 2.284 405 G HA2 -0.252 3.709 3.960 0.001 0.000 0.216 405 G HA3 -0.252 3.709 3.960 0.001 0.000 0.216 405 G C 0.968 175.874 174.900 0.011 0.000 1.009 405 G CA 0.100 45.207 45.100 0.012 0.000 0.625 405 G HN 0.520 8.810 8.290 0.000 0.000 0.501 406 K N -0.936 119.472 120.400 0.014 0.000 2.365 406 K HA 0.492 4.813 4.320 0.001 0.000 0.195 406 K C 0.417 177.026 176.600 0.015 0.000 1.079 406 K CA 0.167 56.461 56.287 0.011 0.000 0.979 406 K CB 0.759 33.265 32.500 0.010 0.000 0.929 406 K HN 0.292 8.542 8.250 0.000 0.000 0.523 407 L N 0.370 121.608 121.223 0.024 0.000 2.334 407 L HA 0.501 4.841 4.340 0.001 0.000 0.276 407 L C -1.408 175.482 176.870 0.033 0.000 1.014 407 L CA -0.625 54.232 54.840 0.029 0.000 0.815 407 L CB 1.783 43.870 42.059 0.047 0.000 1.268 407 L HN -0.025 8.205 8.230 0.000 0.000 0.428 408 A N 3.431 126.269 122.820 0.030 0.000 2.511 408 A HA 0.528 4.848 4.320 0.001 0.000 0.340 408 A C -0.670 176.948 177.584 0.057 0.000 1.396 408 A CA -0.727 51.331 52.037 0.035 0.000 0.887 408 A CB -0.631 18.382 19.000 0.021 0.000 1.145 408 A HN 0.760 8.910 8.150 0.000 0.000 0.497 409 D N 0.821 121.273 120.400 0.085 0.000 2.414 409 D HA 0.409 5.050 4.640 0.001 0.000 0.251 409 D C 0.593 176.969 176.300 0.127 0.000 1.252 409 D CA -0.232 53.855 54.000 0.146 0.000 0.999 409 D CB 0.269 41.167 40.800 0.163 0.000 1.093 409 D HN 0.564 8.934 8.370 0.000 0.000 0.515 410 C N -3.073 116.328 119.300 0.169 0.000 2.913 410 C HA 0.470 4.930 4.460 0.001 0.000 0.322 410 C C 1.462 176.508 174.990 0.094 0.000 1.292 410 C CA -0.648 58.448 59.018 0.130 0.000 1.649 410 C CB 1.082 28.925 27.740 0.172 0.000 2.139 410 C HN 0.669 8.899 8.230 0.000 0.000 0.475 411 Q N 0.296 120.137 119.800 0.067 0.000 2.119 411 Q HA -0.109 4.232 4.340 0.001 0.000 0.201 411 Q C 0.465 176.489 176.000 0.039 0.000 0.972 411 Q CA 1.373 57.202 55.803 0.044 0.000 0.847 411 Q CB -0.114 28.643 28.738 0.033 0.000 0.903 411 Q HN 0.806 9.076 8.270 0.000 0.000 0.433 412 E N 0.972 121.203 120.200 0.052 0.000 2.480 412 E HA -0.083 4.267 4.350 0.001 0.000 0.258 412 E C 0.268 176.873 176.600 0.008 0.000 0.984 412 E CA 0.576 56.998 56.400 0.037 0.000 0.930 412 E CB 0.468 30.202 29.700 0.057 0.000 0.936 412 E HN 0.050 8.410 8.360 0.000 0.000 0.466 413 R N 2.624 123.115 120.500 -0.014 0.000 2.282 413 R HA 0.074 4.414 4.340 0.001 0.000 0.195 413 R C -0.292 175.969 176.300 -0.065 0.000 0.909 413 R CA 0.033 56.106 56.100 -0.044 0.000 1.039 413 R CB 0.479 30.761 30.300 -0.029 0.000 1.015 413 R HN 0.479 8.749 8.270 0.000 0.000 0.513 414 D N 1.860 122.235 120.400 -0.043 0.000 2.313 414 D HA 0.174 4.815 4.640 0.001 0.000 0.239 414 D C -2.476 173.801 176.300 -0.039 0.000 1.142 414 D CA -2.572 51.403 54.000 -0.042 0.000 0.847 414 D CB 1.423 42.203 40.800 -0.033 0.000 1.082 414 D HN -0.160 8.210 8.370 0.000 0.000 0.480 415 P HA 0.137 4.557 4.420 0.000 0.000 0.268 415 P C -0.027 177.242 177.300 -0.051 0.000 1.208 415 P CA 0.510 63.675 63.100 0.109 0.000 0.777 415 P CB 0.714 32.561 31.700 0.246 0.000 0.875 416 A N 1.715 124.465 122.820 -0.117 0.000 3.201 416 A HA -0.190 4.131 4.320 0.001 0.000 0.260 416 A C 0.686 178.192 177.584 -0.129 0.000 1.222 416 A CA 1.505 53.287 52.037 -0.425 0.000 1.124 416 A CB -2.540 15.932 19.000 -0.879 0.000 1.155 416 A HN 0.499 8.649 8.150 0.000 0.000 0.924 417 L N -0.500 120.703 121.223 -0.033 0.000 3.360 417 L HA 0.288 4.629 4.340 0.001 0.000 0.303 417 L C 0.587 177.489 176.870 0.053 0.000 1.218 417 L CA 0.642 55.483 54.840 0.000 0.000 1.059 417 L CB 0.880 42.932 42.059 -0.012 0.000 1.468 417 L HN 0.708 8.938 8.230 0.000 0.000 0.614 418 S N -0.192 115.568 115.700 0.099 0.000 2.549 418 S HA 0.660 5.130 4.470 0.001 0.000 0.280 418 S C -0.871 173.882 174.600 0.254 0.000 1.109 418 S CA -0.712 57.595 58.200 0.179 0.000 0.905 418 S CB 2.429 65.742 63.200 0.187 0.000 1.081 418 S HN 0.227 8.537 8.310 0.000 0.000 0.477 419 E N 1.348 121.682 120.200 0.223 0.000 2.248 419 E HA 0.649 4.999 4.350 0.001 0.000 0.267 419 E C -1.509 175.061 176.600 -0.050 0.000 0.877 419 E CA -1.115 55.336 56.400 0.085 0.000 0.759 419 E CB 1.710 31.371 29.700 -0.065 0.000 1.182 419 E HN 0.477 8.837 8.360 0.000 0.000 0.418 420 L N 3.364 124.463 121.223 -0.207 0.000 2.287 420 L HA 0.408 4.749 4.340 0.001 0.000 0.287 420 L C -1.664 175.052 176.870 -0.256 0.000 1.022 420 L CA -0.542 54.054 54.840 -0.408 0.000 0.814 420 L CB 0.469 42.145 42.059 -0.638 0.000 1.217 420 L HN 0.546 8.776 8.230 0.000 0.000 0.420 421 Y N 5.242 125.484 120.300 -0.097 0.000 2.299 421 Y HA 0.533 5.084 4.550 0.001 0.000 0.326 421 Y C -0.237 175.648 175.900 -0.024 0.000 1.164 421 Y CA -0.136 57.948 58.100 -0.026 0.000 1.234 421 Y CB 1.268 39.723 38.460 -0.009 0.000 1.219 421 Y HN 0.428 8.708 8.280 0.000 0.000 0.497 422 L N 5.410 126.733 121.223 0.167 0.000 2.343 422 L HA 0.645 4.985 4.340 0.001 0.000 0.278 422 L C -0.732 176.203 176.870 0.107 0.000 0.996 422 L CA -0.967 53.938 54.840 0.109 0.000 0.831 422 L CB 1.032 43.152 42.059 0.101 0.000 1.232 422 L HN 0.429 8.659 8.230 0.000 0.000 0.413 423 V N -0.291 119.666 119.914 0.072 0.000 3.155 423 V HA 0.550 4.671 4.120 0.001 0.000 0.313 423 V C -0.513 175.598 176.094 0.027 0.000 1.162 423 V CA -0.929 61.400 62.300 0.049 0.000 1.048 423 V CB 2.180 34.022 31.823 0.033 0.000 1.092 423 V HN 0.762 8.952 8.190 0.000 0.000 0.447 424 E N 0.639 120.851 120.200 0.020 0.000 2.089 424 E HA 0.434 4.785 4.350 0.001 0.000 0.284 424 E C 1.325 177.929 176.600 0.007 0.000 1.023 424 E CA 0.361 56.769 56.400 0.013 0.000 0.819 424 E CB 1.206 30.915 29.700 0.016 0.000 1.076 424 E HN 1.020 9.380 8.360 0.000 0.000 0.396 425 G N 4.850 113.652 108.800 0.003 0.000 2.606 425 G HA2 -0.366 3.595 3.960 0.001 0.000 0.221 425 G HA3 -0.366 3.595 3.960 0.001 0.000 0.221 425 G C 0.894 175.794 174.900 0.000 0.000 1.152 425 G CA 1.240 46.340 45.100 0.000 0.000 0.765 425 G HN 0.597 8.887 8.290 0.000 0.000 0.595 426 D N -0.428 119.973 120.400 0.002 0.000 2.219 426 D HA 0.003 4.643 4.640 0.001 0.000 0.205 426 D C 2.577 178.879 176.300 0.003 0.000 0.970 426 D CA 1.177 55.179 54.000 0.003 0.000 0.851 426 D CB -0.125 40.678 40.800 0.005 0.000 0.943 426 D HN 0.335 8.705 8.370 0.000 0.000 0.488 427 S N -1.093 114.610 115.700 0.004 0.000 2.371 427 S HA 0.201 4.671 4.470 0.001 0.000 0.219 427 S C 1.536 176.133 174.600 -0.005 0.000 1.040 427 S CA 0.990 59.191 58.200 0.003 0.000 0.958 427 S CB 0.233 63.437 63.200 0.006 0.000 0.860 427 S HN 0.228 8.538 8.310 0.000 0.000 0.487 428 A N -0.503 122.312 122.820 -0.008 0.000 2.653 428 A HA 0.562 4.882 4.320 0.001 0.000 0.248 428 A C 1.732 179.304 177.584 -0.020 0.000 1.211 428 A CA 0.725 52.750 52.037 -0.019 0.000 0.991 428 A CB -0.707 18.275 19.000 -0.029 0.000 1.252 428 A HN 0.515 8.665 8.150 0.000 0.000 0.593 429 G N 0.854 109.648 108.800 -0.010 0.000 2.606 429 G HA2 -0.156 3.805 3.960 0.001 0.000 0.221 429 G HA3 -0.156 3.805 3.960 0.001 0.000 0.221 429 G C 1.451 176.342 174.900 -0.014 0.000 1.152 429 G CA 1.786 46.881 45.100 -0.009 0.000 0.765 429 G HN 0.787 9.077 8.290 0.000 0.000 0.595 430 G N 0.492 109.283 108.800 -0.015 0.000 2.404 430 G HA2 -0.054 3.907 3.960 0.001 0.000 0.213 430 G HA3 -0.054 3.907 3.960 0.001 0.000 0.213 430 G C 2.233 177.118 174.900 -0.024 0.000 1.189 430 G CA 1.750 46.840 45.100 -0.017 0.000 0.796 430 G HN 0.722 9.012 8.290 0.000 0.000 0.532 431 S N 1.584 117.269 115.700 -0.025 0.000 2.383 431 S HA 0.009 4.480 4.470 0.001 0.000 0.229 431 S C 2.587 177.161 174.600 -0.044 0.000 1.030 431 S CA 1.585 59.767 58.200 -0.030 0.000 1.002 431 S CB -0.552 62.631 63.200 -0.027 0.000 0.829 431 S HN 0.585 8.895 8.310 0.000 0.000 0.467 432 A N 2.578 125.364 122.820 -0.057 0.000 1.883 432 A HA -0.104 4.217 4.320 0.001 0.000 0.217 432 A C 2.269 179.807 177.584 -0.076 0.000 1.186 432 A CA 1.664 53.647 52.037 -0.091 0.000 0.624 432 A CB -0.585 18.354 19.000 -0.101 0.000 0.822 432 A HN 0.607 8.757 8.150 0.000 0.000 0.444 433 K N -0.464 119.905 120.400 -0.051 0.000 2.148 433 K HA -0.089 4.231 4.320 0.001 0.000 0.204 433 K C 1.905 178.474 176.600 -0.052 0.000 1.050 433 K CA 1.259 57.520 56.287 -0.042 0.000 0.942 433 K CB -0.114 32.370 32.500 -0.026 0.000 0.724 433 K HN 0.575 8.825 8.250 0.000 0.000 0.446 434 Q N -0.532 119.238 119.800 -0.051 0.000 2.451 434 Q HA 0.013 4.354 4.340 0.001 0.000 0.206 434 Q C 1.423 177.374 176.000 -0.081 0.000 0.947 434 Q CA 0.854 56.622 55.803 -0.057 0.000 0.937 434 Q CB 0.747 29.460 28.738 -0.041 0.000 1.025 434 Q HN 0.394 8.664 8.270 0.000 0.000 0.511 435 G N 1.199 109.950 108.800 -0.081 0.000 3.342 435 G HA2 0.047 4.007 3.960 0.001 0.000 0.252 435 G HA3 0.047 4.007 3.960 0.001 0.000 0.252 435 G C 0.514 175.338 174.900 -0.127 0.000 1.011 435 G CA -0.433 44.613 45.100 -0.091 0.000 0.869 435 G HN 0.165 8.455 8.290 0.000 0.000 0.514 436 R N -0.185 120.248 120.500 -0.113 0.000 2.783 436 R HA 0.366 4.707 4.340 0.001 0.000 0.276 436 R C -0.692 175.464 176.300 -0.241 0.000 1.223 436 R CA -0.414 55.641 56.100 -0.075 0.000 1.173 436 R CB 0.194 30.473 30.300 -0.034 0.000 1.157 436 R HN -0.013 8.257 8.270 0.000 0.000 0.600 437 N N -0.406 118.234 118.700 -0.098 0.000 2.479 437 N HA 0.109 4.849 4.740 0.001 0.000 0.261 437 N C 0.495 175.998 175.510 -0.011 0.000 0.979 437 N CA -0.953 52.016 53.050 -0.135 0.000 0.930 437 N CB 1.362 39.832 38.487 -0.029 0.000 1.172 437 N HN 0.739 9.119 8.380 0.000 0.000 0.499 438 R N 2.954 123.431 120.500 -0.039 0.000 2.170 438 R HA -0.170 4.170 4.340 0.001 0.000 0.242 438 R C 1.420 177.743 176.300 0.038 0.000 1.145 438 R CA 1.156 57.258 56.100 0.003 0.000 0.984 438 R CB -0.058 30.233 30.300 -0.015 0.000 0.869 438 R HN 0.463 8.733 8.270 0.000 0.000 0.455 439 K N 1.468 121.890 120.400 0.037 0.000 2.009 439 K HA -0.171 4.150 4.320 0.001 0.000 0.210 439 K C 1.049 177.700 176.600 0.084 0.000 1.049 439 K CA 2.060 58.379 56.287 0.053 0.000 0.929 439 K CB -0.021 32.509 32.500 0.049 0.000 0.714 439 K HN 0.528 8.778 8.250 0.000 0.000 0.440 440 N N -0.832 117.936 118.700 0.114 0.000 2.118 440 N HA -0.020 4.720 4.740 0.001 0.000 0.226 440 N C -0.679 174.945 175.510 0.189 0.000 1.305 440 N CA -0.139 52.997 53.050 0.143 0.000 0.890 440 N CB 0.530 39.091 38.487 0.124 0.000 1.118 440 N HN 0.118 8.498 8.380 0.000 0.000 0.511 441 Q N 1.041 120.959 119.800 0.196 0.000 2.340 441 Q HA 0.668 5.009 4.340 0.001 0.000 0.259 441 Q C -0.873 175.239 176.000 0.188 0.000 0.964 441 Q CA -0.539 55.415 55.803 0.251 0.000 0.900 441 Q CB 1.941 30.874 28.738 0.326 0.000 1.228 441 Q HN 0.333 8.603 8.270 0.000 0.000 0.449 442 A N 3.891 126.791 122.820 0.134 0.000 2.325 442 A HA 0.747 5.067 4.320 0.001 0.000 0.333 442 A C -0.599 176.999 177.584 0.022 0.000 1.155 442 A CA -0.601 51.451 52.037 0.025 0.000 0.814 442 A CB 0.785 19.693 19.000 -0.154 0.000 1.206 442 A HN 0.765 8.915 8.150 0.000 0.000 0.482 443 I N 1.931 122.513 120.570 0.019 0.000 2.447 443 I HA 0.302 4.473 4.170 0.001 0.000 0.287 443 I C -1.196 174.925 176.117 0.007 0.000 1.023 443 I CA -0.552 60.773 61.300 0.041 0.000 1.083 443 I CB 1.893 39.913 38.000 0.032 0.000 1.245 443 I HN 0.509 8.719 8.210 0.000 0.000 0.434 444 L N 9.752 130.981 121.223 0.010 0.000 2.337 444 L HA 0.618 4.959 4.340 0.001 0.000 0.269 444 L C -2.619 174.261 176.870 0.017 0.000 1.018 444 L CA -1.731 53.112 54.840 0.005 0.000 0.876 444 L CB 0.946 43.002 42.059 -0.006 0.000 1.236 444 L HN 0.215 8.445 8.230 0.000 0.000 0.436 445 P HA 0.286 4.706 4.420 0.000 0.000 0.276 445 P C -1.003 176.298 177.300 0.001 0.000 1.230 445 P CA 0.073 63.179 63.100 0.009 0.000 0.776 445 P CB 0.802 32.504 31.700 0.003 0.000 0.888 446 L N 3.166 124.389 121.223 -0.001 0.000 2.319 446 L HA 0.583 4.924 4.340 0.001 0.000 0.267 446 L C 0.346 177.208 176.870 -0.013 0.000 1.011 446 L CA -0.825 54.006 54.840 -0.015 0.000 0.818 446 L CB 1.964 44.007 42.059 -0.025 0.000 1.316 446 L HN 0.204 8.434 8.230 0.000 0.000 0.432 447 K N 0.974 121.362 120.400 -0.021 0.000 2.541 447 K HA 0.779 5.100 4.320 0.001 0.000 0.250 447 K C -0.610 175.976 176.600 -0.022 0.000 0.950 447 K CA -0.580 55.697 56.287 -0.016 0.000 0.805 447 K CB 2.475 34.967 32.500 -0.013 0.000 1.166 447 K HN 0.823 9.073 8.250 0.000 0.000 0.430 463 S N -0.999 114.693 115.700 -0.013 0.000 2.448 463 S HA 0.489 4.960 4.470 0.001 0.000 0.320 463 S C 0.081 174.636 174.600 -0.076 0.000 1.071 463 S CA -0.461 57.695 58.200 -0.073 0.000 1.113 463 S CB 1.866 64.987 63.200 -0.133 0.000 0.972 463 S HN 0.209 8.519 8.310 0.000 0.000 0.465 464 S N 2.518 118.173 115.700 -0.074 0.000 2.546 464 S HA 0.041 4.511 4.470 0.001 0.000 0.290 464 S C 1.249 175.800 174.600 -0.082 0.000 1.290 464 S CA -0.231 57.931 58.200 -0.063 0.000 1.069 464 S CB 0.371 63.540 63.200 -0.052 0.000 0.846 464 S HN 0.824 9.134 8.310 0.000 0.000 0.495 465 Q N 3.142 122.906 119.800 -0.060 0.000 2.083 465 Q HA -0.105 4.236 4.340 0.001 0.000 0.198 465 Q C 1.942 177.910 176.000 -0.053 0.000 0.969 465 Q CA 1.440 57.208 55.803 -0.059 0.000 0.838 465 Q CB -0.086 28.632 28.738 -0.034 0.000 0.900 465 Q HN 0.809 9.079 8.270 0.000 0.000 0.436 466 E N 0.229 120.406 120.200 -0.039 0.000 2.058 466 E HA -0.192 4.159 4.350 0.001 0.000 0.194 466 E C 2.129 178.705 176.600 -0.039 0.000 0.997 466 E CA 1.401 57.783 56.400 -0.029 0.000 0.801 466 E CB -0.102 29.585 29.700 -0.021 0.000 0.746 466 E HN 0.090 8.450 8.360 0.000 0.000 0.450 467 V N 1.371 121.253 119.914 -0.053 0.000 2.282 467 V HA -0.321 3.800 4.120 0.001 0.000 0.249 467 V C 2.290 178.327 176.094 -0.095 0.000 1.057 467 V CA 2.005 64.266 62.300 -0.065 0.000 1.032 467 V CB -0.671 31.105 31.823 -0.077 0.000 0.645 467 V HN 0.370 8.560 8.190 0.000 0.000 0.447 468 A N -1.092 121.644 122.820 -0.139 0.000 2.067 468 A HA -0.167 4.154 4.320 0.001 0.000 0.219 468 A C 2.263 179.791 177.584 -0.094 0.000 1.158 468 A CA 2.128 54.038 52.037 -0.210 0.000 0.661 468 A CB -0.565 18.266 19.000 -0.283 0.000 0.801 468 A HN 0.539 8.689 8.150 0.000 0.000 0.452 469 T N -0.116 114.411 114.554 -0.046 0.000 3.051 469 T HA 0.154 4.504 4.350 0.001 0.000 0.255 469 T C 1.644 176.349 174.700 0.009 0.000 1.085 469 T CA 0.645 62.742 62.100 -0.004 0.000 1.109 469 T CB -0.151 68.716 68.868 -0.001 0.000 0.921 469 T HN 0.388 8.628 8.240 0.000 0.000 0.488 470 L N 0.577 121.798 121.223 -0.003 0.000 2.072 470 L HA 0.160 4.500 4.340 0.001 0.000 0.205 470 L C 2.402 179.290 176.870 0.030 0.000 1.079 470 L CA 1.004 55.851 54.840 0.012 0.000 0.752 470 L CB -0.529 41.530 42.059 0.001 0.000 0.906 470 L HN 0.202 8.432 8.230 0.000 0.000 0.436 471 I N -0.190 120.392 120.570 0.020 0.000 2.226 471 I HA -0.283 3.888 4.170 0.001 0.000 0.245 471 I C 2.402 178.584 176.117 0.109 0.000 1.100 471 I CA 1.441 62.778 61.300 0.061 0.000 1.374 471 I CB 0.060 38.083 38.000 0.038 0.000 1.057 471 I HN 0.260 8.470 8.210 0.000 0.000 0.413 472 T N 1.202 115.818 114.554 0.103 0.000 2.674 472 T HA -0.101 4.250 4.350 0.001 0.000 0.265 472 T C 1.866 176.616 174.700 0.082 0.000 1.039 472 T CA 1.452 63.624 62.100 0.120 0.000 1.150 472 T CB -0.403 68.535 68.868 0.117 0.000 0.864 472 T HN 0.545 8.785 8.240 0.000 0.000 0.427 473 A N 0.682 123.539 122.820 0.063 0.000 2.178 473 A HA 0.109 4.430 4.320 0.001 0.000 0.218 473 A C 2.185 179.809 177.584 0.067 0.000 1.157 473 A CA 0.797 52.865 52.037 0.052 0.000 0.689 473 A CB -0.703 18.321 19.000 0.040 0.000 0.787 473 A HN 0.528 8.678 8.150 0.000 0.000 0.465 474 L N -1.947 119.329 121.223 0.088 0.000 2.068 474 L HA 0.357 4.698 4.340 0.001 0.000 0.204 474 L C 1.037 177.999 176.870 0.153 0.000 1.076 474 L CA 1.109 56.028 54.840 0.131 0.000 0.753 474 L CB 0.008 42.145 42.059 0.130 0.000 0.910 474 L HN 0.473 8.703 8.230 0.000 0.000 0.439 490 Y N -0.657 119.653 120.300 0.016 0.000 2.433 490 Y HA 0.444 4.995 4.550 0.002 0.000 0.337 490 Y C 0.349 176.256 175.900 0.012 0.000 1.026 490 Y CA -0.870 57.257 58.100 0.046 0.000 1.037 490 Y CB 2.043 40.521 38.460 0.029 0.000 1.245 490 Y HN 0.628 8.908 8.280 0.000 0.000 0.443 491 H N 0.631 119.780 119.070 0.132 0.000 2.399 491 H HA 0.085 4.641 4.556 0.001 0.000 0.300 491 H C 0.422 175.934 175.328 0.308 0.000 1.048 491 H CA 1.272 57.414 56.048 0.156 0.000 1.370 491 H CB 0.545 30.428 29.762 0.201 0.000 1.428 491 H HN 0.482 8.762 8.280 0.000 0.000 0.534 492 S N 1.847 117.774 115.700 0.378 0.000 2.423 492 S HA 0.325 4.795 4.470 0.001 0.000 0.317 492 S C 0.011 174.738 174.600 0.211 0.000 1.065 492 S CA -0.913 57.521 58.200 0.389 0.000 1.111 492 S CB -0.137 63.194 63.200 0.218 0.000 0.968 492 S HN 0.384 8.694 8.310 0.000 0.000 0.474 493 I N 0.982 121.673 120.570 0.201 0.000 2.330 493 I HA 0.641 4.811 4.170 0.001 0.000 0.289 493 I C -1.310 174.855 176.117 0.081 0.000 1.001 493 I CA -1.163 60.171 61.300 0.058 0.000 1.193 493 I CB 0.619 38.633 38.000 0.023 0.000 1.345 493 I HN 0.376 8.586 8.210 0.000 0.000 0.461 494 I N 7.427 127.951 120.570 -0.076 0.000 2.428 494 I HA 0.466 4.637 4.170 0.001 0.000 0.296 494 I C 0.344 176.499 176.117 0.064 0.000 0.985 494 I CA -0.234 61.041 61.300 -0.042 0.000 1.260 494 I CB 1.433 39.237 38.000 -0.326 0.000 1.389 494 I HN 0.573 8.783 8.210 0.000 0.000 0.484 498 D N 0.851 121.256 120.400 0.008 0.000 2.378 498 D HA 0.344 4.984 4.640 0.001 0.000 0.238 498 D C 1.198 177.496 176.300 -0.003 0.000 1.180 498 D CA 0.052 54.053 54.000 0.001 0.000 0.895 498 D CB 0.986 41.789 40.800 0.006 0.000 1.192 498 D HN 0.630 9.000 8.370 0.000 0.000 0.438 499 A N 1.533 124.349 122.820 -0.006 0.000 1.975 499 A HA -0.069 4.251 4.320 0.001 0.000 0.215 499 A C 0.655 178.227 177.584 -0.020 0.000 1.170 499 A CA 0.420 52.451 52.037 -0.010 0.000 0.656 499 A CB -0.284 18.714 19.000 -0.005 0.000 0.821 499 A HN 0.691 8.841 8.150 0.000 0.000 0.449 500 D N 0.405 120.797 120.400 -0.015 0.000 2.443 500 D HA 0.034 4.675 4.640 0.001 0.000 0.234 500 D C 1.479 177.751 176.300 -0.045 0.000 1.172 500 D CA 0.581 54.571 54.000 -0.017 0.000 0.878 500 D CB 0.406 41.206 40.800 -0.001 0.000 1.204 500 D HN 0.407 8.777 8.370 0.000 0.000 0.453 501 V N -0.858 119.023 119.914 -0.055 0.000 2.343 501 V HA -0.246 3.874 4.120 0.001 0.000 0.247 501 V C 1.494 177.495 176.094 -0.155 0.000 1.051 501 V CA 1.890 64.110 62.300 -0.133 0.000 1.036 501 V CB -0.675 31.103 31.823 -0.075 0.000 0.654 501 V HN 0.404 8.594 8.190 0.000 0.000 0.451 502 D N 1.769 122.189 120.400 0.033 0.000 2.097 502 D HA -0.041 4.600 4.640 0.001 0.000 0.197 502 D C 2.240 178.656 176.300 0.193 0.000 0.984 502 D CA 2.020 56.131 54.000 0.184 0.000 0.826 502 D CB -0.706 40.160 40.800 0.109 0.000 0.973 502 D HN 0.581 8.951 8.370 0.000 0.000 0.460 503 G N 0.306 109.151 108.800 0.074 0.000 2.453 503 G HA2 -0.152 3.809 3.960 0.001 0.000 0.215 503 G HA3 -0.152 3.809 3.960 0.001 0.000 0.215 503 G C 1.570 176.497 174.900 0.044 0.000 1.147 503 G CA 0.897 46.033 45.100 0.061 0.000 0.802 503 G HN 0.381 8.671 8.290 0.000 0.000 0.535 504 S N -0.142 115.547 115.700 -0.018 0.000 2.555 504 S HA -0.021 4.450 4.470 0.001 0.000 0.230 504 S C 1.723 176.301 174.600 -0.036 0.000 0.978 504 S CA 0.826 59.001 58.200 -0.040 0.000 0.934 504 S CB -0.562 62.591 63.200 -0.077 0.000 0.766 504 S HN 0.547 8.857 8.310 0.000 0.000 0.533 505 H N 0.860 119.947 119.070 0.029 0.000 2.353 505 H HA -0.019 4.537 4.556 0.000 0.000 0.298 505 H C 1.970 177.318 175.328 0.034 0.000 1.103 505 H CA 1.740 57.814 56.048 0.044 0.000 1.293 505 H CB -0.269 29.521 29.762 0.046 0.000 1.372 505 H HN 0.403 8.683 8.280 0.000 0.000 0.501 506 I N 0.885 121.535 120.570 0.133 0.000 2.335 506 I HA -0.250 3.921 4.170 0.001 0.000 0.251 506 I C 2.475 178.602 176.117 0.016 0.000 1.129 506 I CA 1.353 62.686 61.300 0.054 0.000 1.402 506 I CB -0.306 37.714 38.000 0.033 0.000 1.069 506 I HN 0.126 8.336 8.210 0.000 0.000 0.424 507 R N -0.509 120.006 120.500 0.025 0.000 2.066 507 R HA -0.149 4.191 4.340 0.001 0.000 0.232 507 R C 2.089 178.390 176.300 0.001 0.000 1.131 507 R CA 2.130 58.239 56.100 0.014 0.000 0.955 507 R CB -0.634 29.680 30.300 0.024 0.000 0.851 507 R HN 0.333 8.603 8.270 0.000 0.000 0.432 508 T N 1.629 116.199 114.554 0.026 0.000 2.684 508 T HA -0.128 4.222 4.350 0.001 0.000 0.267 508 T C 1.695 176.394 174.700 -0.001 0.000 1.036 508 T CA 1.355 63.481 62.100 0.043 0.000 1.148 508 T CB -0.183 68.751 68.868 0.110 0.000 0.863 508 T HN 0.083 8.323 8.240 0.000 0.000 0.436 509 L N 0.429 121.647 121.223 -0.009 0.000 2.127 509 L HA 0.006 4.347 4.340 0.001 0.000 0.211 509 L C 2.290 179.026 176.870 -0.223 0.000 1.089 509 L CA 1.300 56.049 54.840 -0.151 0.000 0.757 509 L CB -0.820 41.185 42.059 -0.090 0.000 0.899 509 L HN 0.265 8.495 8.230 0.000 0.000 0.434 510 L N -1.707 119.377 121.223 -0.230 0.000 2.023 510 L HA -0.196 4.144 4.340 0.001 0.000 0.205 510 L C 2.382 178.907 176.870 -0.575 0.000 1.073 510 L CA 1.026 55.578 54.840 -0.480 0.000 0.745 510 L CB -0.449 41.368 42.059 -0.403 0.000 0.900 510 L HN 0.203 8.433 8.230 0.000 0.000 0.435 511 L N -0.929 120.180 121.223 -0.190 0.000 2.042 511 L HA -0.242 4.099 4.340 0.001 0.000 0.210 511 L C 2.699 179.593 176.870 0.041 0.000 1.076 511 L CA 1.802 56.662 54.840 0.034 0.000 0.749 511 L CB -0.806 41.293 42.059 0.067 0.000 0.893 511 L HN 0.322 8.552 8.230 0.000 0.000 0.432 512 T N -0.727 113.803 114.554 -0.039 0.000 2.904 512 T HA -0.190 4.161 4.350 0.001 0.000 0.267 512 T C 1.610 176.297 174.700 -0.022 0.000 1.059 512 T CA 0.952 63.037 62.100 -0.026 0.000 1.137 512 T CB -0.155 68.622 68.868 -0.151 0.000 0.879 512 T HN 0.320 8.560 8.240 0.000 0.000 0.467 513 F N 0.693 120.491 119.950 -0.253 0.000 2.206 513 F HA 0.120 4.647 4.527 0.001 0.000 0.298 513 F C 1.417 177.194 175.800 -0.038 0.000 1.090 513 F CA 0.755 58.625 58.000 -0.217 0.000 1.323 513 F CB -0.434 38.368 39.000 -0.328 0.000 1.028 513 F HN 0.129 8.429 8.300 0.000 0.000 0.492 514 F N 0.079 119.916 119.950 -0.188 0.000 2.031 514 F HA -0.171 4.356 4.527 0.001 0.000 0.295 514 F C 2.450 178.129 175.800 -0.202 0.000 1.133 514 F CA 1.606 59.449 58.000 -0.261 0.000 1.188 514 F CB -1.925 37.047 39.000 -0.048 0.000 0.974 514 F HN 0.104 8.404 8.300 0.000 0.000 0.473 515 Y N 1.063 121.394 120.300 0.052 0.000 2.096 515 Y HA -0.325 4.226 4.550 0.001 0.000 0.278 515 Y C 2.610 178.472 175.900 -0.064 0.000 1.192 515 Y CA 2.095 60.189 58.100 -0.009 0.000 1.143 515 Y CB -0.449 38.014 38.460 0.005 0.000 0.963 515 Y HN -0.033 8.247 8.280 0.000 0.000 0.505 516 R N -0.348 120.089 120.500 -0.105 0.000 2.070 516 R HA -0.119 4.221 4.340 0.001 0.000 0.227 516 R C 1.349 177.497 176.300 -0.252 0.000 1.147 516 R CA 1.226 57.212 56.100 -0.189 0.000 0.924 516 R CB -0.559 29.711 30.300 -0.049 0.000 0.827 516 R HN 0.278 8.548 8.270 0.000 0.000 0.431 520 E N 0.325 120.467 120.200 -0.097 0.000 2.150 520 E HA -0.050 4.301 4.350 0.001 0.000 0.193 520 E C 1.741 178.307 176.600 -0.056 0.000 0.985 520 E CA 1.057 57.418 56.400 -0.066 0.000 0.814 520 E CB 0.097 29.762 29.700 -0.058 0.000 0.752 520 E HN 0.408 8.768 8.360 0.000 0.000 0.466 521 I N 0.697 121.208 120.570 -0.098 0.000 2.361 521 I HA -0.234 3.936 4.170 0.001 0.000 0.251 521 I C 2.051 178.103 176.117 -0.109 0.000 1.133 521 I CA 0.788 62.024 61.300 -0.107 0.000 1.413 521 I CB 0.202 38.044 38.000 -0.264 0.000 1.073 521 I HN -0.085 8.125 8.210 0.000 0.000 0.424 522 V N 0.871 120.706 119.914 -0.132 0.000 2.453 522 V HA -0.209 3.912 4.120 0.001 0.000 0.247 522 V C 2.189 178.232 176.094 -0.086 0.000 1.048 522 V CA 1.792 64.026 62.300 -0.109 0.000 1.049 522 V CB -0.638 31.177 31.823 -0.012 0.000 0.672 522 V HN 0.438 8.628 8.190 0.000 0.000 0.457 523 E N 0.157 120.325 120.200 -0.053 0.000 2.150 523 E HA -0.155 4.196 4.350 0.001 0.000 0.193 523 E C 2.223 178.775 176.600 -0.079 0.000 0.985 523 E CA 0.806 57.178 56.400 -0.046 0.000 0.814 523 E CB -0.140 29.545 29.700 -0.025 0.000 0.752 523 E HN 0.533 8.893 8.360 0.000 0.000 0.466 524 R N -0.174 120.270 120.500 -0.094 0.000 2.313 524 R HA 0.059 4.400 4.340 0.001 0.000 0.199 524 R C 0.845 176.933 176.300 -0.354 0.000 0.958 524 R CA 0.522 56.520 56.100 -0.169 0.000 1.047 524 R CB 0.312 30.563 30.300 -0.081 0.000 0.955 524 R HN 0.207 8.477 8.270 0.000 0.000 0.481 525 G N 1.245 109.862 108.800 -0.306 0.000 2.212 525 G HA2 -0.252 3.708 3.960 0.001 0.000 0.255 525 G HA3 -0.252 3.708 3.960 0.001 0.000 0.255 525 G C 0.300 174.880 174.900 -0.534 0.000 1.062 525 G CA 0.072 44.951 45.100 -0.369 0.000 0.815 525 G HN 0.455 8.745 8.290 0.000 0.000 0.497 526 H N -1.370 117.506 119.070 -0.322 0.000 2.525 526 H HA 0.191 4.748 4.556 0.001 0.000 0.275 526 H C 1.354 176.413 175.328 -0.449 0.000 0.984 526 H CA 1.003 56.888 56.048 -0.272 0.000 1.264 526 H CB 0.627 30.264 29.762 -0.208 0.000 1.432 526 H HN 0.330 8.610 8.280 0.000 0.000 0.549 527 V N 2.230 121.866 119.914 -0.463 0.000 2.407 527 V HA 0.177 4.298 4.120 0.001 0.000 0.278 527 V C -0.538 175.225 176.094 -0.552 0.000 1.037 527 V CA -0.336 61.743 62.300 -0.368 0.000 0.900 527 V CB 0.650 32.330 31.823 -0.238 0.000 0.983 527 V HN 0.101 8.291 8.190 0.000 0.000 0.459 528 Y N 3.995 124.299 120.300 0.005 0.000 2.662 528 Y HA 0.701 5.251 4.550 0.001 0.000 0.335 528 Y C -0.190 175.724 175.900 0.025 0.000 1.066 528 Y CA -1.345 56.757 58.100 0.005 0.000 1.116 528 Y CB 1.716 40.163 38.460 -0.021 0.000 1.308 528 Y HN 0.263 8.543 8.280 0.000 0.000 0.502 529 I N 1.675 122.363 120.570 0.197 0.000 2.497 529 I HA 0.363 4.533 4.170 0.001 0.000 0.284 529 I C -0.183 175.995 176.117 0.100 0.000 1.060 529 I CA -1.061 60.314 61.300 0.125 0.000 1.071 529 I CB 0.868 38.922 38.000 0.090 0.000 1.216 529 I HN 0.761 8.971 8.210 0.000 0.000 0.442 530 A N 7.083 129.961 122.820 0.096 0.000 2.561 530 A HA 0.191 4.512 4.320 0.001 0.000 0.234 530 A C 0.305 177.909 177.584 0.035 0.000 1.055 530 A CA 0.183 52.263 52.037 0.072 0.000 0.756 530 A CB 0.146 19.209 19.000 0.104 0.000 0.986 530 A HN 0.643 8.793 8.150 0.000 0.000 0.505 531 Q N 2.066 121.872 119.800 0.009 0.000 2.644 531 Q HA 0.282 4.623 4.340 0.001 0.000 0.245 531 Q C -2.540 173.436 176.000 -0.041 0.000 1.064 531 Q CA -1.568 54.233 55.803 -0.005 0.000 0.860 531 Q CB 0.877 29.619 28.738 0.007 0.000 1.145 531 Q HN 0.489 8.759 8.270 0.000 0.000 0.515 532 P HA 0.117 4.537 4.420 0.000 0.000 0.268 532 P C -2.319 174.915 177.300 -0.110 0.000 1.205 532 P CA -0.874 62.144 63.100 -0.137 0.000 0.771 532 P CB -0.063 31.544 31.700 -0.154 0.000 0.858 533 P HA 0.026 4.446 4.420 0.000 0.000 0.269 533 P C 0.288 177.613 177.300 0.042 0.000 1.215 533 P CA -0.128 62.957 63.100 -0.025 0.000 0.780 533 P CB 0.410 32.092 31.700 -0.031 0.000 0.898 534 L N 1.610 122.900 121.223 0.112 0.000 2.554 534 L HA 0.282 4.623 4.340 0.001 0.000 0.225 534 L C -0.369 176.354 176.870 -0.246 0.000 1.104 534 L CA 0.823 55.647 54.840 -0.026 0.000 0.866 534 L CB -0.361 41.692 42.059 -0.010 0.000 1.047 534 L HN 0.286 8.516 8.230 0.000 0.000 0.468 535 Y N -1.078 119.334 120.300 0.187 0.000 2.615 535 Y HA 0.483 5.034 4.550 0.002 0.000 0.341 535 Y C -0.392 175.646 175.900 0.229 0.000 1.089 535 Y CA -1.210 56.974 58.100 0.141 0.000 1.049 535 Y CB 1.376 39.862 38.460 0.044 0.000 1.296 535 Y HN -0.269 8.011 8.280 0.000 0.000 0.470 536 K N 1.889 122.481 120.400 0.319 0.000 2.690 536 K HA 0.601 4.921 4.320 0.001 0.000 0.243 536 K C -2.212 174.448 176.600 0.100 0.000 0.982 536 K CA -0.327 56.134 56.287 0.289 0.000 0.955 536 K CB 1.060 33.808 32.500 0.413 0.000 1.185 536 K HN 0.502 8.752 8.250 0.000 0.000 0.467 537 V N 3.604 123.504 119.914 -0.023 0.000 2.481 537 V HA 0.426 4.546 4.120 0.001 0.000 0.286 537 V C -0.252 175.798 176.094 -0.073 0.000 1.042 537 V CA -0.557 61.696 62.300 -0.078 0.000 0.928 537 V CB 1.415 33.080 31.823 -0.264 0.000 0.986 537 V HN 0.669 8.859 8.190 0.000 0.000 0.462 538 K N 3.828 124.217 120.400 -0.019 0.000 2.601 538 K HA 0.479 4.800 4.320 0.001 0.000 0.249 538 K C -1.185 175.421 176.600 0.010 0.000 0.966 538 K CA -0.664 55.612 56.287 -0.017 0.000 0.827 538 K CB 1.344 33.836 32.500 -0.014 0.000 1.178 538 K HN 0.667 8.917 8.250 0.000 0.000 0.437 539 K N 2.794 123.204 120.400 0.016 0.000 2.339 539 K HA 0.387 4.707 4.320 0.001 0.000 0.264 539 K C 0.316 176.920 176.600 0.007 0.000 0.986 539 K CA -0.278 56.020 56.287 0.019 0.000 0.866 539 K CB 1.686 34.207 32.500 0.034 0.000 1.103 539 K HN 0.904 9.154 8.250 0.000 0.000 0.441 540 G N 2.949 111.751 108.800 0.003 0.000 2.611 540 G HA2 -0.422 3.539 3.960 0.001 0.000 0.301 540 G HA3 -0.422 3.539 3.960 0.001 0.000 0.301 540 G C 0.841 175.740 174.900 -0.001 0.000 1.233 540 G CA 0.657 45.757 45.100 0.001 0.000 0.993 540 G HN 0.680 8.970 8.290 0.000 0.000 0.553 541 K N 0.929 121.328 120.400 -0.002 0.000 2.288 541 K HA 0.016 4.337 4.320 0.001 0.000 0.201 541 K C 1.285 177.877 176.600 -0.014 0.000 1.048 541 K CA 1.130 57.414 56.287 -0.004 0.000 0.956 541 K CB -0.144 32.355 32.500 -0.002 0.000 0.746 541 K HN 0.628 8.878 8.250 0.000 0.000 0.461 542 Q N 1.735 121.526 119.800 -0.015 0.000 2.313 542 Q HA 0.005 4.345 4.340 0.001 0.000 0.266 542 Q C -0.588 175.379 176.000 -0.055 0.000 0.989 542 Q CA 0.225 56.010 55.803 -0.030 0.000 0.890 542 Q CB 1.121 29.851 28.738 -0.013 0.000 1.200 542 Q HN 0.299 8.569 8.270 0.000 0.000 0.396 543 E N 1.757 121.892 120.200 -0.108 0.000 2.336 543 E HA 0.519 4.869 4.350 0.001 0.000 0.267 543 E C -1.277 175.142 176.600 -0.302 0.000 0.906 543 E CA -1.033 55.256 56.400 -0.184 0.000 0.781 543 E CB 1.873 31.453 29.700 -0.200 0.000 1.261 543 E HN 0.413 8.773 8.360 0.000 0.000 0.436 544 Q N 1.426 121.006 119.800 -0.367 0.000 2.345 544 Q HA 0.345 4.686 4.340 0.001 0.000 0.275 544 Q C -2.232 173.558 176.000 -0.350 0.000 1.063 544 Q CA -0.672 54.908 55.803 -0.373 0.000 0.819 544 Q CB 1.637 30.204 28.738 -0.286 0.000 1.356 544 Q HN 0.585 8.855 8.270 0.000 0.000 0.418 545 Y N 3.347 123.620 120.300 -0.044 0.000 2.369 545 Y HA 0.499 5.049 4.550 0.000 0.000 0.337 545 Y C -0.374 175.515 175.900 -0.018 0.000 0.961 545 Y CA -0.931 57.163 58.100 -0.009 0.000 1.186 545 Y CB 0.957 39.409 38.460 -0.012 0.000 1.139 545 Y HN 0.511 8.791 8.280 0.000 0.000 0.494 546 I N 4.796 125.468 120.570 0.169 0.000 2.336 546 I HA 0.230 4.401 4.170 0.001 0.000 0.292 546 I C 1.055 177.275 176.117 0.173 0.000 0.991 546 I CA -0.614 60.749 61.300 0.106 0.000 1.227 546 I CB 1.811 39.816 38.000 0.009 0.000 1.366 546 I HN 0.649 8.859 8.210 0.000 0.000 0.466 547 K N 3.866 124.336 120.400 0.117 0.000 2.031 547 K HA 0.083 4.403 4.320 0.001 0.000 0.205 547 K C -0.137 176.543 176.600 0.132 0.000 1.049 547 K CA 0.696 57.044 56.287 0.101 0.000 0.939 547 K CB 0.158 32.696 32.500 0.062 0.000 0.717 547 K HN 0.455 8.705 8.250 0.000 0.000 0.438 548 D N -0.120 120.361 120.400 0.135 0.000 2.497 548 D HA 0.090 4.731 4.640 0.001 0.000 0.243 548 D C -0.131 176.270 176.300 0.167 0.000 1.039 548 D CA -0.598 53.484 54.000 0.137 0.000 1.052 548 D CB 1.607 42.459 40.800 0.086 0.000 1.344 548 D HN -0.094 8.276 8.370 0.000 0.000 0.553 549 D N -0.003 120.495 120.400 0.163 0.000 2.277 549 D HA -0.092 4.549 4.640 0.001 0.000 0.208 549 D C 1.404 177.738 176.300 0.056 0.000 0.962 549 D CA 0.699 54.779 54.000 0.133 0.000 0.865 549 D CB 0.456 41.346 40.800 0.150 0.000 0.939 549 D HN 0.494 8.864 8.370 0.000 0.000 0.510 550 E N -0.108 120.128 120.200 0.059 0.000 2.076 550 E HA 0.029 4.380 4.350 0.001 0.000 0.190 550 E C 0.881 177.504 176.600 0.038 0.000 0.979 550 E CA 0.222 56.648 56.400 0.044 0.000 0.807 550 E CB 0.153 29.880 29.700 0.044 0.000 0.761 550 E HN 0.130 8.490 8.360 0.000 0.000 0.454 554 Q N -0.136 119.691 119.800 0.044 0.000 2.181 554 Q HA -0.142 4.198 4.340 0.001 0.000 0.205 554 Q C 1.687 177.722 176.000 0.059 0.000 0.980 554 Q CA 1.314 57.145 55.803 0.047 0.000 0.862 554 Q CB -0.002 28.768 28.738 0.053 0.000 0.905 554 Q HN 0.425 8.695 8.270 0.000 0.000 0.429 555 Y N 0.983 121.260 120.300 -0.039 0.000 2.286 555 Y HA -0.120 4.431 4.550 0.001 0.000 0.293 555 Y C 1.965 177.836 175.900 -0.048 0.000 1.124 555 Y CA 1.292 59.366 58.100 -0.044 0.000 1.178 555 Y CB 0.192 38.617 38.460 -0.058 0.000 1.010 555 Y HN 0.026 8.306 8.280 0.000 0.000 0.536 556 Q N 0.061 119.811 119.800 -0.084 0.000 2.083 556 Q HA -0.118 4.223 4.340 0.001 0.000 0.198 556 Q C 2.257 178.160 176.000 -0.162 0.000 0.969 556 Q CA 1.930 57.640 55.803 -0.155 0.000 0.838 556 Q CB -0.075 28.638 28.738 -0.041 0.000 0.900 556 Q HN 0.539 8.809 8.270 0.000 0.000 0.436 557 I N 0.140 120.655 120.570 -0.092 0.000 2.179 557 I HA -0.298 3.872 4.170 0.001 0.000 0.242 557 I C 2.618 178.674 176.117 -0.103 0.000 1.088 557 I CA 0.963 62.224 61.300 -0.066 0.000 1.357 557 I CB -0.409 37.579 38.000 -0.019 0.000 1.051 557 I HN 0.163 8.373 8.210 0.000 0.000 0.409 558 S N 1.097 116.719 115.700 -0.130 0.000 2.359 558 S HA -0.183 4.287 4.470 0.001 0.000 0.223 558 S C 2.082 176.565 174.600 -0.195 0.000 1.039 558 S CA 1.475 59.592 58.200 -0.139 0.000 1.042 558 S CB -0.187 62.937 63.200 -0.128 0.000 0.915 558 S HN 0.231 8.541 8.310 0.000 0.000 0.439 559 I N 2.212 122.578 120.570 -0.341 0.000 2.099 559 I HA -0.171 4.000 4.170 0.001 0.000 0.239 559 I C 2.931 178.932 176.117 -0.193 0.000 1.066 559 I CA 1.610 62.721 61.300 -0.315 0.000 1.324 559 I CB -2.105 35.622 38.000 -0.455 0.000 1.037 559 I HN 0.389 8.599 8.210 0.000 0.000 0.401 560 A N 1.063 123.777 122.820 -0.177 0.000 1.927 560 A HA -0.209 4.111 4.320 0.001 0.000 0.220 560 A C 2.429 179.963 177.584 -0.082 0.000 1.185 560 A CA 1.824 53.786 52.037 -0.124 0.000 0.639 560 A CB -0.959 17.979 19.000 -0.102 0.000 0.820 560 A HN 0.463 8.613 8.150 0.000 0.000 0.451 561 L N -0.750 120.430 121.223 -0.072 0.000 2.179 561 L HA -0.029 4.311 4.340 0.001 0.000 0.208 561 L C -0.036 176.812 176.870 -0.036 0.000 1.096 561 L CA 0.015 54.831 54.840 -0.040 0.000 0.779 561 L CB -0.651 41.391 42.059 -0.028 0.000 0.922 561 L HN 0.205 8.435 8.230 0.000 0.000 0.443 562 D N 1.140 121.507 120.400 -0.054 0.000 2.451 562 D HA 0.234 4.875 4.640 0.001 0.000 0.254 562 D C 1.132 177.416 176.300 -0.026 0.000 1.204 562 D CA 1.331 55.306 54.000 -0.042 0.000 0.896 562 D CB 0.526 41.291 40.800 -0.058 0.000 1.136 562 D HN 0.350 8.720 8.370 0.000 0.000 0.499 563 G N 1.557 110.352 108.800 -0.010 0.000 2.157 563 G HA2 -0.135 3.825 3.960 0.001 0.000 0.248 563 G HA3 -0.135 3.825 3.960 0.001 0.000 0.248 563 G C 0.384 175.297 174.900 0.022 0.000 0.979 563 G CA 0.090 45.194 45.100 0.006 0.000 0.650 563 G HN 0.830 9.120 8.290 0.000 0.000 0.529 564 A N -0.181 122.647 122.820 0.013 0.000 2.301 564 A HA 0.878 5.199 4.320 0.001 0.000 0.312 564 A C 0.216 177.789 177.584 -0.018 0.000 1.182 564 A CA 0.624 52.675 52.037 0.023 0.000 0.826 564 A CB 1.262 20.277 19.000 0.026 0.000 1.134 564 A HN 0.834 8.984 8.150 0.000 0.000 0.501 565 T N 2.003 116.520 114.554 -0.061 0.000 2.952 565 T HA 0.449 4.800 4.350 0.001 0.000 0.305 565 T C -1.283 173.234 174.700 -0.306 0.000 1.064 565 T CA -0.319 61.674 62.100 -0.177 0.000 1.008 565 T CB 1.249 69.983 68.868 -0.223 0.000 1.078 565 T HN 0.610 8.850 8.240 0.000 0.000 0.459 566 L N 3.746 124.814 121.223 -0.259 0.000 2.276 566 L HA 0.497 4.837 4.340 0.001 0.000 0.286 566 L C -0.898 175.846 176.870 -0.210 0.000 1.024 566 L CA -0.319 54.408 54.840 -0.188 0.000 0.826 566 L CB 0.141 42.191 42.059 -0.015 0.000 1.211 566 L HN 0.702 8.932 8.230 0.000 0.000 0.422 567 H N 2.804 121.914 119.070 0.066 0.000 2.761 567 H HA 0.498 5.055 4.556 0.001 0.000 0.284 567 H C 0.215 175.591 175.328 0.081 0.000 1.105 567 H CA -0.132 55.956 56.048 0.068 0.000 1.352 567 H CB 0.574 30.375 29.762 0.066 0.000 1.423 567 H HN 0.720 9.000 8.280 0.000 0.000 0.464 568 T N -0.618 114.029 114.554 0.155 0.000 2.937 568 T HA 0.196 4.547 4.350 0.001 0.000 0.283 568 T C 0.863 175.618 174.700 0.092 0.000 1.012 568 T CA -1.075 61.089 62.100 0.107 0.000 0.997 568 T CB 1.212 70.123 68.868 0.071 0.000 1.136 568 T HN 0.502 8.742 8.240 0.000 0.000 0.551 569 N N -0.024 118.716 118.700 0.066 0.000 2.353 569 N HA 0.359 5.100 4.740 0.001 0.000 0.185 569 N C 0.767 176.297 175.510 0.034 0.000 1.098 569 N CA 0.070 53.149 53.050 0.049 0.000 0.872 569 N CB 0.019 38.530 38.487 0.040 0.000 0.970 569 N HN 0.849 9.229 8.380 0.000 0.000 0.467 570 A N 0.607 123.446 122.820 0.031 0.000 2.325 570 A HA 0.238 4.559 4.320 0.001 0.000 0.260 570 A C 1.676 179.270 177.584 0.017 0.000 1.133 570 A CA 0.169 52.217 52.037 0.019 0.000 0.801 570 A CB -0.203 18.804 19.000 0.012 0.000 1.092 570 A HN 0.294 8.444 8.150 0.000 0.000 0.504 571 S N -0.742 114.963 115.700 0.009 0.000 2.428 571 S HA -0.065 4.406 4.470 0.001 0.000 0.240 571 S C 0.866 175.473 174.600 0.012 0.000 1.036 571 S CA 1.333 59.538 58.200 0.007 0.000 1.009 571 S CB -0.674 62.526 63.200 0.001 0.000 0.803 571 S HN 1.847 10.157 8.310 0.000 0.000 0.486 572 A N 2.116 124.946 122.820 0.015 0.000 2.540 572 A HA 0.675 4.996 4.320 0.001 0.000 0.340 572 A C -1.315 176.293 177.584 0.040 0.000 1.424 572 A CA -1.817 50.233 52.037 0.022 0.000 0.940 572 A CB 0.688 19.696 19.000 0.013 0.000 1.149 572 A HN 0.241 8.391 8.150 0.000 0.000 0.505 573 P HA -0.146 4.274 4.420 0.000 0.000 0.216 573 P C 0.564 177.947 177.300 0.139 0.000 1.157 573 P CA 2.181 65.329 63.100 0.079 0.000 0.880 573 P CB 0.304 32.041 31.700 0.060 0.000 0.791 574 A N -0.949 121.943 122.820 0.119 0.000 2.343 574 A HA 0.598 4.919 4.320 0.001 0.000 0.316 574 A C -1.356 176.237 177.584 0.014 0.000 1.104 574 A CA -0.463 51.636 52.037 0.102 0.000 0.768 574 A CB 0.677 19.776 19.000 0.166 0.000 1.213 574 A HN 0.067 8.217 8.150 0.000 0.000 0.456 575 L N 2.607 123.809 121.223 -0.035 0.000 2.319 575 L HA 0.863 5.203 4.340 0.001 0.000 0.281 575 L C -0.013 176.837 176.870 -0.033 0.000 1.005 575 L CA 0.332 55.162 54.840 -0.016 0.000 0.828 575 L CB 0.934 42.998 42.059 0.010 0.000 1.227 575 L HN 1.175 9.405 8.230 0.000 0.000 0.415 576 A N 2.917 125.726 122.820 -0.018 0.000 2.534 576 A HA 0.898 5.219 4.320 0.001 0.000 0.300 576 A C 0.474 178.056 177.584 -0.003 0.000 1.223 576 A CA -0.146 51.881 52.037 -0.017 0.000 0.666 576 A CB 0.034 19.015 19.000 -0.031 0.000 1.316 576 A HN 1.685 9.835 8.150 0.000 0.000 0.468 577 G N -0.146 108.652 108.800 -0.002 0.000 2.614 577 G HA2 -0.323 3.638 3.960 0.001 0.000 0.303 577 G HA3 -0.323 3.638 3.960 0.001 0.000 0.303 577 G C 0.681 175.583 174.900 0.004 0.000 1.270 577 G CA 1.196 46.297 45.100 0.001 0.000 0.988 577 G HN 1.038 9.328 8.290 0.000 0.000 0.551 578 E N 0.452 120.654 120.200 0.004 0.000 2.118 578 E HA 0.019 4.369 4.350 0.001 0.000 0.195 578 E C 3.000 179.603 176.600 0.005 0.000 0.992 578 E CA 1.467 57.870 56.400 0.004 0.000 0.804 578 E CB -0.279 29.422 29.700 0.002 0.000 0.741 578 E HN 0.711 9.071 8.360 0.000 0.000 0.458 579 A N 1.187 124.009 122.820 0.004 0.000 1.877 579 A HA -0.161 4.159 4.320 0.001 0.000 0.216 579 A C 2.160 179.750 177.584 0.010 0.000 1.186 579 A CA 1.024 53.062 52.037 0.002 0.000 0.620 579 A CB -0.505 18.494 19.000 -0.001 0.000 0.822 579 A HN 0.221 8.371 8.150 0.000 0.000 0.443 580 L N 0.354 121.589 121.223 0.020 0.000 2.017 580 L HA -0.144 4.196 4.340 0.001 0.000 0.208 580 L C 2.176 179.080 176.870 0.057 0.000 1.073 580 L CA 2.379 57.247 54.840 0.047 0.000 0.745 580 L CB -0.881 41.204 42.059 0.042 0.000 0.894 580 L HN 0.538 8.768 8.230 0.000 0.000 0.432 581 E N -0.607 119.614 120.200 0.036 0.000 2.097 581 E HA -0.255 4.096 4.350 0.001 0.000 0.196 581 E C 2.066 178.688 176.600 0.037 0.000 1.000 581 E CA 1.247 57.668 56.400 0.036 0.000 0.804 581 E CB -0.133 29.579 29.700 0.020 0.000 0.740 581 E HN 0.410 8.770 8.360 0.000 0.000 0.454 582 K N 0.581 120.994 120.400 0.021 0.000 2.032 582 K HA -0.172 4.149 4.320 0.001 0.000 0.209 582 K C 2.244 178.848 176.600 0.008 0.000 1.048 582 K CA 0.747 57.040 56.287 0.009 0.000 0.927 582 K CB -0.500 31.997 32.500 -0.006 0.000 0.712 582 K HN 0.114 8.364 8.250 0.000 0.000 0.441 583 L N 1.096 122.322 121.223 0.005 0.000 2.005 583 L HA -0.128 4.213 4.340 0.001 0.000 0.207 583 L C 2.254 179.158 176.870 0.057 0.000 1.072 583 L CA 1.394 56.213 54.840 -0.035 0.000 0.744 583 L CB -0.679 41.326 42.059 -0.089 0.000 0.895 583 L HN -0.145 8.085 8.230 0.000 0.000 0.433 584 V N 0.044 120.059 119.914 0.168 0.000 2.324 584 V HA -0.318 3.803 4.120 0.001 0.000 0.250 584 V C 2.813 179.024 176.094 0.195 0.000 1.060 584 V CA 1.899 64.347 62.300 0.248 0.000 1.042 584 V CB -1.105 30.824 31.823 0.175 0.000 0.650 584 V HN 0.770 8.960 8.190 0.000 0.000 0.450 585 S N -0.326 115.440 115.700 0.111 0.000 2.368 585 S HA -0.276 4.194 4.470 0.001 0.000 0.224 585 S C 1.967 176.606 174.600 0.066 0.000 1.029 585 S CA 1.732 59.978 58.200 0.078 0.000 0.988 585 S CB -0.470 62.755 63.200 0.043 0.000 0.838 585 S HN 0.730 9.040 8.310 0.000 0.000 0.462 586 E N 0.035 120.263 120.200 0.047 0.000 2.051 586 E HA -0.206 4.145 4.350 0.001 0.000 0.192 586 E C 1.985 178.599 176.600 0.024 0.000 0.991 586 E CA 1.216 57.621 56.400 0.008 0.000 0.799 586 E CB -0.374 29.307 29.700 -0.030 0.000 0.748 586 E HN 0.724 9.084 8.360 0.000 0.000 0.449 587 Y N 1.739 122.015 120.300 -0.040 0.000 2.128 587 Y HA -0.267 4.284 4.550 0.001 0.000 0.284 587 Y C 1.961 177.879 175.900 0.030 0.000 1.154 587 Y CA 2.248 60.343 58.100 -0.009 0.000 1.149 587 Y CB -0.242 38.275 38.460 0.096 0.000 0.976 587 Y HN 0.099 8.379 8.280 0.000 0.000 0.505 588 N N 0.390 119.184 118.700 0.157 0.000 2.188 588 N HA -0.132 4.609 4.740 0.001 0.000 0.184 588 N C 1.959 177.451 175.510 -0.030 0.000 1.018 588 N CA 1.327 54.413 53.050 0.059 0.000 0.858 588 N CB -0.792 37.776 38.487 0.136 0.000 0.989 588 N HN 0.535 8.915 8.380 0.000 0.000 0.426 589 A N 0.255 123.064 122.820 -0.018 0.000 1.940 589 A HA -0.132 4.189 4.320 0.001 0.000 0.219 589 A C 2.315 179.858 177.584 -0.068 0.000 1.176 589 A CA 1.987 54.005 52.037 -0.031 0.000 0.631 589 A CB -1.008 17.978 19.000 -0.023 0.000 0.814 589 A HN 0.305 8.455 8.150 0.000 0.000 0.446 590 T N -0.150 114.332 114.554 -0.121 0.000 2.777 590 T HA -0.114 4.236 4.350 0.001 0.000 0.266 590 T C 2.018 176.626 174.700 -0.154 0.000 1.040 590 T CA 1.404 63.414 62.100 -0.149 0.000 1.141 590 T CB -0.205 68.539 68.868 -0.207 0.000 0.868 590 T HN 0.457 8.697 8.240 0.000 0.000 0.444 591 Q N 0.931 120.601 119.800 -0.217 0.000 2.224 591 Q HA 0.091 4.432 4.340 0.001 0.000 0.203 591 Q C 1.354 177.315 176.000 -0.064 0.000 0.970 591 Q CA 0.764 56.468 55.803 -0.164 0.000 0.865 591 Q CB -0.171 28.439 28.738 -0.213 0.000 0.922 591 Q HN 0.517 8.787 8.270 0.000 0.000 0.445 595 N N 2.120 120.841 118.700 0.036 0.000 2.459 595 N HA 0.052 4.792 4.740 0.001 0.000 0.181 595 N C 0.861 176.402 175.510 0.051 0.000 1.046 595 N CA 0.768 53.845 53.050 0.045 0.000 0.904 595 N CB 0.002 38.510 38.487 0.036 0.000 0.964 595 N HN 0.346 8.726 8.380 0.000 0.000 0.444 599 R N 1.185 121.729 120.500 0.073 0.000 2.115 599 R HA 0.062 4.402 4.340 0.001 0.000 0.230 599 R C 2.143 178.465 176.300 0.036 0.000 1.111 599 R CA 1.379 57.510 56.100 0.052 0.000 0.976 599 R CB 0.092 30.415 30.300 0.037 0.000 0.870 599 R HN 0.004 8.274 8.270 0.000 0.000 0.445 600 R N -1.377 119.136 120.500 0.022 0.000 2.075 600 R HA -0.008 4.333 4.340 0.001 0.000 0.226 600 R C 0.028 176.110 176.300 -0.364 0.000 1.114 600 R CA 0.987 56.991 56.100 -0.160 0.000 0.972 600 R CB 0.145 30.378 30.300 -0.113 0.000 0.869 600 R HN 0.118 8.388 8.270 0.000 0.000 0.437 601 Y N -0.562 119.796 120.300 0.097 0.000 2.524 601 Y HA 0.346 4.897 4.550 0.001 0.000 0.347 601 Y C -2.354 173.464 175.900 -0.137 0.000 1.005 601 Y CA -3.475 54.585 58.100 -0.067 0.000 1.025 601 Y CB 1.249 39.691 38.460 -0.029 0.000 1.275 601 Y HN -0.176 8.104 8.280 0.000 0.000 0.460 602 P HA -0.000 4.420 4.420 0.000 0.000 0.265 602 P C 0.543 177.880 177.300 0.061 0.000 1.193 602 P CA -0.047 63.027 63.100 -0.044 0.000 0.765 602 P CB 0.960 32.674 31.700 0.023 0.000 0.823 603 K N 3.148 123.594 120.400 0.077 0.000 2.057 603 K HA -0.095 4.225 4.320 0.001 0.000 0.207 603 K C 0.939 177.585 176.600 0.076 0.000 1.049 603 K CA 0.896 57.230 56.287 0.078 0.000 0.931 603 K CB -0.271 32.271 32.500 0.070 0.000 0.714 603 K HN 0.587 8.837 8.250 0.000 0.000 0.440 607 K N 0.845 121.281 120.400 0.059 0.000 2.147 607 K HA -0.186 4.135 4.320 0.001 0.000 0.205 607 K C 1.654 178.368 176.600 0.190 0.000 1.049 607 K CA 1.683 58.032 56.287 0.103 0.000 0.936 607 K CB 0.234 32.802 32.500 0.114 0.000 0.722 607 K HN 0.086 8.336 8.250 0.000 0.000 0.446 608 E N 0.829 121.091 120.200 0.102 0.000 2.318 608 E HA 0.004 4.354 4.350 0.001 0.000 0.193 608 E C 1.592 178.269 176.600 0.128 0.000 0.998 608 E CA 0.387 56.854 56.400 0.111 0.000 0.859 608 E CB 0.035 29.674 29.700 -0.102 0.000 0.812 608 E HN 0.183 8.543 8.360 0.000 0.000 0.492 609 L N 0.243 121.539 121.223 0.122 0.000 2.191 609 L HA -0.110 4.230 4.340 0.001 0.000 0.212 609 L C 2.152 179.101 176.870 0.131 0.000 1.103 609 L CA 0.776 55.745 54.840 0.215 0.000 0.769 609 L CB -0.400 41.887 42.059 0.381 0.000 0.908 609 L HN 0.223 8.453 8.230 0.000 0.000 0.438 610 I N -1.258 119.337 120.570 0.042 0.000 2.226 610 I HA -0.325 3.845 4.170 0.001 0.000 0.245 610 I C 2.240 178.257 176.117 -0.167 0.000 1.100 610 I CA 1.739 62.960 61.300 -0.132 0.000 1.374 610 I CB -0.334 37.509 38.000 -0.263 0.000 1.057 610 I HN 0.183 8.393 8.210 0.000 0.000 0.413 611 Y N 0.086 120.394 120.300 0.012 0.000 2.314 611 Y HA 0.028 4.579 4.550 0.001 0.000 0.294 611 Y C 1.476 177.386 175.900 0.017 0.000 1.119 611 Y CA 0.117 58.223 58.100 0.010 0.000 1.179 611 Y CB -0.140 38.320 38.460 -0.000 0.000 1.025 611 Y HN 0.097 8.377 8.280 0.000 0.000 0.541 612 Q N 1.754 121.662 119.800 0.181 0.000 2.373 612 Q HA 0.150 4.490 4.340 0.001 0.000 0.255 612 Q C -2.297 173.840 176.000 0.228 0.000 0.980 612 Q CA -1.860 54.031 55.803 0.146 0.000 0.882 612 Q CB 0.081 28.848 28.738 0.048 0.000 1.249 612 Q HN 0.081 8.351 8.270 0.000 0.000 0.438 613 P HA -0.073 4.347 4.420 0.000 0.000 0.267 613 P C -0.144 177.357 177.300 0.334 0.000 1.201 613 P CA 0.271 63.516 63.100 0.241 0.000 0.775 613 P CB 0.358 32.197 31.700 0.231 0.000 0.854 614 T N 1.872 116.518 114.554 0.153 0.000 2.918 614 T HA 0.241 4.591 4.350 0.001 0.000 0.302 614 T C -0.335 174.354 174.700 -0.017 0.000 1.045 614 T CA -0.296 61.877 62.100 0.121 0.000 1.114 614 T CB -0.172 68.696 68.868 0.001 0.000 0.965 614 T HN 0.126 8.366 8.240 0.000 0.000 0.540 615 L N 4.819 125.987 121.223 -0.091 0.000 2.282 615 L HA 0.510 4.850 4.340 0.001 0.000 0.288 615 L C 0.218 176.980 176.870 -0.180 0.000 1.033 615 L CA 0.183 54.758 54.840 -0.440 0.000 0.807 615 L CB 1.479 42.946 42.059 -0.987 0.000 1.209 615 L HN 0.745 8.975 8.230 0.000 0.000 0.423 616 T N 3.468 117.924 114.554 -0.164 0.000 2.929 616 T HA 0.225 4.575 4.350 0.001 0.000 0.284 616 T C 1.056 175.718 174.700 -0.064 0.000 1.014 616 T CA -0.493 61.558 62.100 -0.083 0.000 1.051 616 T CB 1.576 70.408 68.868 -0.059 0.000 1.028 616 T HN 0.644 8.884 8.240 0.000 0.000 0.485 617 E N 1.160 121.340 120.200 -0.033 0.000 2.097 617 E HA -0.235 4.115 4.350 0.001 0.000 0.196 617 E C 2.203 178.833 176.600 0.050 0.000 1.000 617 E CA 1.328 57.745 56.400 0.028 0.000 0.804 617 E CB -0.086 29.641 29.700 0.045 0.000 0.740 617 E HN 0.715 9.075 8.360 0.000 0.000 0.454 618 A N 1.263 124.093 122.820 0.018 0.000 1.969 618 A HA -0.180 4.140 4.320 0.001 0.000 0.218 618 A C 1.629 179.217 177.584 0.006 0.000 1.169 618 A CA 1.557 53.604 52.037 0.018 0.000 0.635 618 A CB -0.223 18.780 19.000 0.004 0.000 0.810 618 A HN 0.122 8.272 8.150 0.000 0.000 0.445 619 D N -0.084 120.300 120.400 -0.028 0.000 2.144 619 D HA -0.104 4.537 4.640 0.001 0.000 0.199 619 D C 1.651 177.932 176.300 -0.033 0.000 0.984 619 D CA 0.813 54.778 54.000 -0.059 0.000 0.834 619 D CB -0.314 40.407 40.800 -0.131 0.000 0.955 619 D HN 0.297 8.667 8.370 0.000 0.000 0.465 620 L N 0.685 121.912 121.223 0.007 0.000 2.083 620 L HA -0.117 4.223 4.340 0.001 0.000 0.209 620 L C 2.319 179.324 176.870 0.224 0.000 1.083 620 L CA 1.256 56.153 54.840 0.095 0.000 0.752 620 L CB -0.658 41.475 42.059 0.125 0.000 0.899 620 L HN -0.095 8.135 8.230 0.000 0.000 0.433 621 S N -1.324 114.480 115.700 0.174 0.000 2.419 621 S HA -0.129 4.342 4.470 0.001 0.000 0.233 621 S C 0.796 175.548 174.600 0.253 0.000 1.016 621 S CA 0.680 59.025 58.200 0.241 0.000 0.974 621 S CB -0.398 62.876 63.200 0.123 0.000 0.786 621 S HN 0.444 8.754 8.310 0.000 0.000 0.492 622 D N 0.764 121.187 120.400 0.039 0.000 2.177 622 D HA 0.186 4.827 4.640 0.001 0.000 0.247 622 D C 0.725 176.753 176.300 -0.454 0.000 1.063 622 D CA -0.298 53.604 54.000 -0.163 0.000 0.867 622 D CB 1.241 41.980 40.800 -0.102 0.000 1.168 622 D HN 0.150 8.520 8.370 0.000 0.000 0.445 623 E N 2.427 122.108 120.200 -0.866 0.000 2.102 623 E HA -0.130 4.221 4.350 0.001 0.000 0.190 623 E C 1.431 177.799 176.600 -0.388 0.000 0.971 623 E CA 0.243 56.042 56.400 -1.001 0.000 0.821 623 E CB 0.177 29.051 29.700 -1.377 0.000 0.777 623 E HN 0.625 8.985 8.360 0.000 0.000 0.460 624 Q N 0.321 119.959 119.800 -0.270 0.000 2.096 624 Q HA -0.167 4.174 4.340 0.001 0.000 0.204 624 Q C 2.123 178.070 176.000 -0.088 0.000 0.982 624 Q CA 2.525 58.247 55.803 -0.135 0.000 0.850 624 Q CB -0.121 28.559 28.738 -0.097 0.000 0.901 624 Q HN 0.411 8.681 8.270 0.000 0.000 0.422 625 T N -2.380 112.120 114.554 -0.090 0.000 2.777 625 T HA -0.068 4.283 4.350 0.001 0.000 0.266 625 T C 1.890 176.592 174.700 0.003 0.000 1.040 625 T CA 1.183 63.261 62.100 -0.037 0.000 1.141 625 T CB -0.654 68.186 68.868 -0.047 0.000 0.868 625 T HN 0.113 8.353 8.240 0.000 0.000 0.444 626 V N 2.058 121.948 119.914 -0.039 0.000 2.343 626 V HA -0.179 3.941 4.120 0.001 0.000 0.247 626 V C 3.043 179.200 176.094 0.106 0.000 1.051 626 V CA 2.327 64.645 62.300 0.032 0.000 1.036 626 V CB -1.223 30.604 31.823 0.005 0.000 0.654 626 V HN 0.605 8.795 8.190 0.000 0.000 0.451 627 T N -0.329 114.230 114.554 0.009 0.000 2.737 627 T HA -0.210 4.141 4.350 0.001 0.000 0.265 627 T C 2.097 176.706 174.700 -0.153 0.000 1.038 627 T CA 1.679 63.754 62.100 -0.041 0.000 1.144 627 T CB -0.279 68.577 68.868 -0.019 0.000 0.866 627 T HN 0.261 8.501 8.240 0.000 0.000 0.434 628 R N 0.122 120.577 120.500 -0.074 0.000 2.120 628 R HA -0.065 4.276 4.340 0.001 0.000 0.234 628 R C 1.922 178.182 176.300 -0.066 0.000 1.123 628 R CA 1.254 57.301 56.100 -0.089 0.000 0.975 628 R CB -0.864 29.420 30.300 -0.025 0.000 0.866 628 R HN 0.612 8.882 8.270 0.000 0.000 0.446 629 W N -0.689 120.518 121.300 -0.155 0.000 2.380 629 W HA -0.134 4.527 4.660 0.001 0.000 0.317 629 W C 1.871 178.299 176.519 -0.153 0.000 1.196 629 W CA 1.695 58.972 57.345 -0.113 0.000 1.307 629 W CB -0.773 28.650 29.460 -0.061 0.000 1.157 629 W HN -0.071 8.109 8.180 0.000 0.000 0.483 630 V N 2.311 122.168 119.914 -0.096 0.000 2.720 630 V HA -0.256 3.865 4.120 0.001 0.000 0.256 630 V C 2.161 177.906 176.094 -0.582 0.000 1.082 630 V CA 2.545 64.611 62.300 -0.390 0.000 1.101 630 V CB -0.963 30.865 31.823 0.008 0.000 0.693 630 V HN 0.414 8.604 8.190 0.000 0.000 0.479 631 N N 0.761 118.991 118.700 -0.783 0.000 2.171 631 N HA -0.040 4.700 4.740 0.001 0.000 0.184 631 N C 1.824 177.130 175.510 -0.339 0.000 1.021 631 N CA 1.737 54.277 53.050 -0.850 0.000 0.854 631 N CB -0.148 37.869 38.487 -0.784 0.000 0.994 631 N HN 0.511 8.891 8.380 0.000 0.000 0.426 632 A N 1.048 123.671 122.820 -0.329 0.000 1.902 632 A HA -0.075 4.245 4.320 0.001 0.000 0.217 632 A C 2.193 179.596 177.584 -0.301 0.000 1.181 632 A CA 1.136 53.022 52.037 -0.251 0.000 0.623 632 A CB -0.822 18.046 19.000 -0.221 0.000 0.818 632 A HN 0.358 8.508 8.150 0.000 0.000 0.443 633 L N 0.108 121.043 121.223 -0.480 0.000 1.943 633 L HA -0.140 4.201 4.340 0.001 0.000 0.215 633 L C 2.370 179.045 176.870 -0.326 0.000 1.074 633 L CA 2.360 56.910 54.840 -0.482 0.000 0.759 633 L CB -0.995 40.630 42.059 -0.724 0.000 0.888 633 L HN 0.142 8.372 8.230 0.000 0.000 0.433 634 V N -0.591 119.191 119.914 -0.220 0.000 2.324 634 V HA -0.327 3.794 4.120 0.001 0.000 0.250 634 V C 2.855 178.930 176.094 -0.032 0.000 1.060 634 V CA 2.008 64.275 62.300 -0.055 0.000 1.042 634 V CB -0.799 31.164 31.823 0.233 0.000 0.650 634 V HN 0.701 8.891 8.190 0.000 0.000 0.450 635 S N -0.958 114.728 115.700 -0.023 0.000 2.399 635 S HA -0.243 4.227 4.470 0.001 0.000 0.231 635 S C 1.959 176.523 174.600 -0.061 0.000 1.022 635 S CA 1.961 60.158 58.200 -0.005 0.000 0.983 635 S CB -0.141 63.054 63.200 -0.009 0.000 0.803 635 S HN 0.733 9.043 8.310 0.000 0.000 0.480 636 E N 1.177 121.298 120.200 -0.132 0.000 2.033 636 E HA 0.027 4.378 4.350 0.001 0.000 0.189 636 E C 1.984 178.472 176.600 -0.187 0.000 0.979 636 E CA 1.167 57.474 56.400 -0.154 0.000 0.802 636 E CB -0.590 28.998 29.700 -0.186 0.000 0.763 636 E HN 0.541 8.901 8.360 0.000 0.000 0.449 637 L N 0.923 121.953 121.223 -0.321 0.000 2.051 637 L HA -0.255 4.086 4.340 0.001 0.000 0.214 637 L C 2.242 178.999 176.870 -0.189 0.000 1.076 637 L CA 1.391 55.931 54.840 -0.500 0.000 0.758 637 L CB -0.713 40.571 42.059 -1.291 0.000 0.890 637 L HN 0.242 8.472 8.230 0.000 0.000 0.433 638 N N -0.275 118.413 118.700 -0.020 0.000 2.142 638 N HA -0.199 4.542 4.740 0.001 0.000 0.186 638 N C 1.584 177.144 175.510 0.082 0.000 1.023 638 N CA 1.483 54.630 53.050 0.162 0.000 0.852 638 N CB -0.303 38.281 38.487 0.162 0.000 0.998 638 N HN 0.326 8.706 8.380 0.000 0.000 0.424 639 D N 0.796 121.206 120.400 0.016 0.000 2.219 639 D HA -0.072 4.569 4.640 0.001 0.000 0.205 639 D C 1.324 177.619 176.300 -0.008 0.000 0.970 639 D CA 0.941 54.941 54.000 0.001 0.000 0.851 639 D CB 0.235 41.021 40.800 -0.023 0.000 0.943 639 D HN 0.021 8.391 8.370 0.000 0.000 0.488 640 K N 0.311 120.697 120.400 -0.022 0.000 2.262 640 K HA 0.007 4.328 4.320 0.001 0.000 0.200 640 K C 0.618 177.231 176.600 0.022 0.000 1.049 640 K CA -0.016 56.256 56.287 -0.026 0.000 0.979 640 K CB -0.171 32.287 32.500 -0.070 0.000 0.773 640 K HN 0.116 8.366 8.250 0.000 0.000 0.474 641 E N 2.645 122.894 120.200 0.082 0.000 2.493 641 E HA -0.104 4.246 4.350 0.001 0.000 0.255 641 E C 1.067 177.708 176.600 0.069 0.000 0.999 641 E CA 0.296 56.787 56.400 0.151 0.000 0.934 641 E CB 0.562 30.427 29.700 0.274 0.000 0.940 641 E HN 0.250 8.610 8.360 0.000 0.000 0.473 642 Q N 3.788 123.587 119.800 -0.002 0.000 2.349 642 Q HA 0.037 4.378 4.340 0.001 0.000 0.209 642 Q C 0.235 176.151 176.000 -0.140 0.000 0.920 642 Q CA 0.188 55.922 55.803 -0.115 0.000 0.901 642 Q CB -0.033 28.569 28.738 -0.226 0.000 1.021 642 Q HN 0.547 8.817 8.270 0.000 0.000 0.519 643 H N 0.814 119.926 119.070 0.070 0.000 2.598 643 H HA 0.203 4.759 4.556 0.000 0.000 0.371 643 H C 0.238 175.600 175.328 0.056 0.000 1.468 643 H CA 0.565 56.652 56.048 0.065 0.000 1.454 643 H CB 0.504 30.308 29.762 0.071 0.000 1.579 643 H HN 0.358 8.638 8.280 0.000 0.000 0.611 644 G N 0.642 109.559 108.800 0.195 0.000 3.343 644 G HA2 0.206 4.167 3.960 0.001 0.000 0.264 644 G HA3 0.206 4.167 3.960 0.001 0.000 0.264 644 G C -0.013 174.920 174.900 0.055 0.000 0.884 644 G CA -0.062 45.102 45.100 0.107 0.000 1.916 644 G HN 0.346 8.636 8.290 0.000 0.000 0.618 645 S N 0.234 115.952 115.700 0.030 0.000 2.566 645 S HA 0.602 5.073 4.470 0.001 0.000 0.298 645 S C -0.586 173.940 174.600 -0.124 0.000 1.083 645 S CA -0.664 57.471 58.200 -0.108 0.000 0.978 645 S CB 1.658 64.748 63.200 -0.184 0.000 1.073 645 S HN 0.483 8.793 8.310 0.000 0.000 0.491 646 Q N 2.020 121.673 119.800 -0.245 0.000 2.325 646 Q HA 0.370 4.710 4.340 0.001 0.000 0.270 646 Q C -1.687 174.170 176.000 -0.238 0.000 1.020 646 Q CA -0.317 55.401 55.803 -0.141 0.000 0.785 646 Q CB 1.669 30.363 28.738 -0.073 0.000 1.259 646 Q HN 0.610 8.880 8.270 0.000 0.000 0.452 647 W N 2.315 123.627 121.300 0.021 0.000 2.438 647 W HA 0.514 5.174 4.660 0.001 0.000 0.324 647 W C 0.164 176.697 176.519 0.025 0.000 1.119 647 W CA -0.387 56.976 57.345 0.031 0.000 1.221 647 W CB 1.225 30.704 29.460 0.032 0.000 1.253 647 W HN 0.247 8.427 8.180 0.000 0.000 0.555 648 K N 2.171 122.728 120.400 0.262 0.000 2.512 648 K HA 0.545 4.865 4.320 0.001 0.000 0.263 648 K C -1.377 175.330 176.600 0.180 0.000 0.966 648 K CA -1.135 55.219 56.287 0.111 0.000 0.851 648 K CB 2.488 34.977 32.500 -0.017 0.000 1.395 648 K HN 0.349 8.599 8.250 0.000 0.000 0.440 649 F N -0.709 119.303 119.950 0.104 0.000 2.546 649 F HA 0.752 5.280 4.527 0.001 0.000 0.320 649 F C -0.922 174.934 175.800 0.093 0.000 1.076 649 F CA -0.877 57.182 58.000 0.098 0.000 0.928 649 F CB 1.728 40.769 39.000 0.068 0.000 1.189 649 F HN 0.396 8.696 8.300 0.000 0.000 0.465 650 D N 1.245 121.866 120.400 0.368 0.000 2.837 650 D HA 0.567 5.208 4.640 0.001 0.000 0.220 650 D C -2.015 174.468 176.300 0.305 0.000 1.236 650 D CA -0.405 53.760 54.000 0.275 0.000 0.838 650 D CB 2.660 43.547 40.800 0.146 0.000 1.647 650 D HN 0.538 8.908 8.370 0.000 0.000 0.486 651 V N 3.873 123.958 119.914 0.285 0.000 2.384 651 V HA 0.305 4.426 4.120 0.001 0.000 0.287 651 V C -0.118 176.130 176.094 0.257 0.000 1.020 651 V CA -0.793 61.670 62.300 0.272 0.000 0.850 651 V CB 1.393 33.372 31.823 0.259 0.000 0.987 651 V HN 0.635 8.825 8.190 0.000 0.000 0.436 652 H N 3.817 122.980 119.070 0.155 0.000 2.527 652 H HA 0.353 4.910 4.556 0.001 0.000 0.321 652 H C -0.235 175.145 175.328 0.087 0.000 1.087 652 H CA -0.317 55.793 56.048 0.104 0.000 1.337 652 H CB 1.678 31.482 29.762 0.070 0.000 1.440 652 H HN 0.720 9.000 8.280 0.000 0.000 0.490 653 T N 2.742 116.967 114.554 -0.549 0.000 2.743 653 T HA 0.148 4.499 4.350 0.001 0.000 0.293 653 T C 0.131 174.418 174.700 -0.688 0.000 0.945 653 T CA -1.072 60.734 62.100 -0.490 0.000 1.030 653 T CB 0.646 69.356 68.868 -0.264 0.000 0.912 653 T HN 0.503 8.743 8.240 0.000 0.000 0.483 654 N N 1.880 120.283 118.700 -0.495 0.000 2.483 654 N HA 0.565 5.306 4.740 0.001 0.000 0.267 654 N C -0.219 175.128 175.510 -0.273 0.000 0.998 654 N CA -0.521 52.361 53.050 -0.279 0.000 0.918 654 N CB 1.485 39.921 38.487 -0.085 0.000 1.215 654 N HN 0.929 9.309 8.380 0.000 0.000 0.500 660 F N 1.181 121.139 119.950 0.013 0.000 2.436 660 F HA 0.533 5.060 4.527 0.001 0.000 0.340 660 F C 0.497 176.336 175.800 0.064 0.000 1.113 660 F CA -0.421 57.596 58.000 0.028 0.000 1.022 660 F CB 1.876 40.888 39.000 0.020 0.000 1.128 660 F HN 0.287 8.587 8.300 0.000 0.000 0.466 661 E N 4.547 124.896 120.200 0.249 0.000 2.191 661 E HA 0.344 4.695 4.350 0.001 0.000 0.263 661 E C -2.624 174.117 176.600 0.235 0.000 0.881 661 E CA -2.264 54.266 56.400 0.217 0.000 0.757 661 E CB 1.943 31.766 29.700 0.206 0.000 1.147 661 E HN 0.222 8.582 8.360 0.000 0.000 0.414 662 P HA 0.207 4.627 4.420 0.000 0.000 0.272 662 P C -0.610 176.826 177.300 0.226 0.000 1.230 662 P CA -0.018 63.239 63.100 0.262 0.000 0.788 662 P CB 0.837 32.757 31.700 0.367 0.000 0.949 663 I N 0.781 121.495 120.570 0.240 0.000 2.571 663 I HA 0.235 4.406 4.170 0.001 0.000 0.289 663 I C -0.964 175.298 176.117 0.241 0.000 1.115 663 I CA -1.015 60.409 61.300 0.207 0.000 1.045 663 I CB 2.418 40.520 38.000 0.169 0.000 1.238 663 I HN -0.085 8.125 8.210 0.000 0.000 0.424 664 V N 6.375 126.444 119.914 0.259 0.000 2.334 664 V HA 0.416 4.537 4.120 0.001 0.000 0.281 664 V C 0.109 176.416 176.094 0.355 0.000 1.016 664 V CA -0.568 61.924 62.300 0.321 0.000 0.832 664 V CB 1.440 33.458 31.823 0.324 0.000 0.999 664 V HN 0.649 8.839 8.190 0.000 0.000 0.439 665 R N 3.719 124.373 120.500 0.256 0.000 2.312 665 R HA 0.718 5.058 4.340 0.001 0.000 0.311 665 R C -1.294 175.067 176.300 0.102 0.000 1.004 665 R CA -0.324 55.867 56.100 0.151 0.000 0.902 665 R CB 1.775 32.108 30.300 0.057 0.000 1.073 665 R HN 0.522 8.792 8.270 0.000 0.000 0.457 666 V N 5.282 125.182 119.914 -0.023 0.000 2.487 666 V HA 0.446 4.566 4.120 0.001 0.000 0.298 666 V C -1.054 174.870 176.094 -0.283 0.000 1.028 666 V CA -0.974 61.114 62.300 -0.354 0.000 0.860 666 V CB 1.606 32.905 31.823 -0.873 0.000 0.991 666 V HN 0.793 8.983 8.190 0.000 0.000 0.427 667 R N 4.319 124.649 120.500 -0.283 0.000 2.296 667 R HA 0.651 4.992 4.340 0.001 0.000 0.327 667 R C -0.583 175.584 176.300 -0.222 0.000 1.137 667 R CA 0.485 56.470 56.100 -0.192 0.000 1.020 667 R CB 0.416 30.641 30.300 -0.124 0.000 1.110 667 R HN 0.871 9.141 8.270 0.000 0.000 0.499 668 T N 2.440 116.859 114.554 -0.224 0.000 3.193 668 T HA 0.238 4.589 4.350 0.001 0.000 0.332 668 T C -0.108 174.415 174.700 -0.294 0.000 1.208 668 T CA -0.622 61.317 62.100 -0.269 0.000 1.080 668 T CB 0.618 69.256 68.868 -0.385 0.000 1.180 668 T HN 0.764 9.004 8.240 0.000 0.000 0.469 669 H N 2.651 121.684 119.070 -0.062 0.000 2.306 669 H HA 0.266 4.823 4.556 0.001 0.000 0.307 669 H C 2.147 177.445 175.328 -0.051 0.000 1.061 669 H CA 1.737 57.753 56.048 -0.053 0.000 1.359 669 H CB 0.195 29.936 29.762 -0.035 0.000 1.407 669 H HN 0.649 8.929 8.280 0.000 0.000 0.517 670 G N -0.010 108.846 108.800 0.094 0.000 3.044 670 G HA2 0.207 4.167 3.960 0.001 0.000 0.223 670 G HA3 0.207 4.167 3.960 0.001 0.000 0.223 670 G C -0.219 174.677 174.900 -0.005 0.000 1.123 670 G CA -0.043 45.074 45.100 0.028 0.000 0.765 670 G HN 0.077 8.367 8.290 0.000 0.000 0.546 671 V N 2.147 122.053 119.914 -0.012 0.000 2.427 671 V HA 0.348 4.469 4.120 0.001 0.000 0.286 671 V C -0.875 175.174 176.094 -0.075 0.000 1.034 671 V CA -0.933 61.345 62.300 -0.038 0.000 0.893 671 V CB 1.573 33.379 31.823 -0.027 0.000 0.982 671 V HN 0.497 8.687 8.190 0.000 0.000 0.452 672 D N 2.370 122.723 120.400 -0.078 0.000 2.233 672 D HA 0.539 5.180 4.640 0.001 0.000 0.240 672 D C -0.329 175.907 176.300 -0.106 0.000 1.074 672 D CA -0.321 53.621 54.000 -0.097 0.000 0.838 672 D CB 1.447 42.198 40.800 -0.082 0.000 1.124 672 D HN 0.413 8.783 8.370 0.000 0.000 0.475 673 T N 1.570 116.049 114.554 -0.125 0.000 2.918 673 T HA 0.511 4.862 4.350 0.001 0.000 0.286 673 T C -0.943 173.625 174.700 -0.221 0.000 1.026 673 T CA -0.934 61.042 62.100 -0.207 0.000 1.031 673 T CB 1.221 69.922 68.868 -0.278 0.000 1.046 673 T HN 0.612 8.852 8.240 0.000 0.000 0.479 674 D N 0.514 120.722 120.400 -0.321 0.000 2.362 674 D HA 0.315 4.956 4.640 0.001 0.000 0.247 674 D C -1.443 174.636 176.300 -0.369 0.000 1.050 674 D CA -0.738 53.149 54.000 -0.188 0.000 0.839 674 D CB 0.780 41.539 40.800 -0.068 0.000 1.283 674 D HN 0.473 8.843 8.370 0.000 0.000 0.477 675 Y N 0.516 120.847 120.300 0.052 0.000 2.328 675 Y HA 0.397 4.947 4.550 0.001 0.000 0.333 675 Y C -2.209 173.733 175.900 0.070 0.000 0.958 675 Y CA -2.251 55.887 58.100 0.064 0.000 1.167 675 Y CB 2.382 40.927 38.460 0.141 0.000 1.151 675 Y HN 0.126 8.406 8.280 0.000 0.000 0.470 676 P HA 0.165 4.585 4.420 0.000 0.000 0.286 676 P C -0.758 176.584 177.300 0.069 0.000 1.269 676 P CA -0.486 62.675 63.100 0.102 0.000 0.787 676 P CB 1.082 32.815 31.700 0.054 0.000 0.920 677 L N 4.033 125.263 121.223 0.011 0.000 2.422 677 L HA 0.200 4.540 4.340 0.001 0.000 0.256 677 L C 0.447 177.357 176.870 0.066 0.000 1.202 677 L CA 0.226 54.988 54.840 -0.129 0.000 1.119 677 L CB -1.440 40.558 42.059 -0.101 0.000 1.383 677 L HN 0.229 8.459 8.230 0.000 0.000 0.411 678 D N -0.312 120.164 120.400 0.127 0.000 2.390 678 D HA -0.116 4.525 4.640 0.001 0.000 0.236 678 D C 1.419 177.837 176.300 0.196 0.000 1.189 678 D CA 0.072 54.175 54.000 0.172 0.000 0.887 678 D CB 0.644 41.552 40.800 0.180 0.000 1.198 678 D HN 0.417 8.787 8.370 0.000 0.000 0.444 679 H N 1.097 120.220 119.070 0.088 0.000 2.422 679 H HA -0.138 4.419 4.556 0.001 0.000 0.298 679 H C 1.160 176.526 175.328 0.063 0.000 1.098 679 H CA 1.608 57.692 56.048 0.060 0.000 1.315 679 H CB 0.548 30.336 29.762 0.043 0.000 1.382 679 H HN 0.478 8.758 8.280 0.000 0.000 0.523 680 E N -0.294 119.961 120.200 0.092 0.000 2.051 680 E HA -0.178 4.172 4.350 0.001 0.000 0.192 680 E C 2.075 178.691 176.600 0.027 0.000 0.991 680 E CA 1.048 57.473 56.400 0.041 0.000 0.799 680 E CB -0.308 29.460 29.700 0.113 0.000 0.748 680 E HN 0.376 8.736 8.360 0.000 0.000 0.449 681 F N 1.901 121.823 119.950 -0.046 0.000 2.069 681 F HA -0.247 4.281 4.527 0.001 0.000 0.298 681 F C 2.056 177.761 175.800 -0.159 0.000 1.113 681 F CA 1.360 59.306 58.000 -0.090 0.000 1.214 681 F CB -0.078 38.851 39.000 -0.119 0.000 0.978 681 F HN -0.070 8.230 8.300 0.000 0.000 0.474 682 I N 0.056 120.526 120.570 -0.167 0.000 2.454 682 I HA -0.233 3.938 4.170 0.001 0.000 0.254 682 I C 2.141 178.137 176.117 -0.201 0.000 1.156 682 I CA 1.575 62.696 61.300 -0.299 0.000 1.433 682 I CB -1.966 35.909 38.000 -0.210 0.000 1.082 682 I HN 0.244 8.454 8.210 0.000 0.000 0.432 683 T N 0.430 114.842 114.554 -0.237 0.000 3.014 683 T HA 0.087 4.438 4.350 0.001 0.000 0.263 683 T C 1.205 175.821 174.700 -0.140 0.000 1.078 683 T CA 0.476 62.453 62.100 -0.206 0.000 1.135 683 T CB -0.368 68.333 68.868 -0.278 0.000 0.895 683 T HN 0.469 8.709 8.240 0.000 0.000 0.480 684 G N 0.226 108.934 108.800 -0.154 0.000 2.491 684 G HA2 0.372 4.333 3.960 0.001 0.000 0.238 684 G HA3 0.372 4.333 3.960 0.001 0.000 0.238 684 G C 1.204 176.030 174.900 -0.124 0.000 1.277 684 G CA -0.111 44.915 45.100 -0.123 0.000 0.851 684 G HN 0.286 8.576 8.290 0.000 0.000 0.573 685 G N 0.364 109.112 108.800 -0.087 0.000 2.448 685 G HA2 -0.142 3.818 3.960 0.001 0.000 0.219 685 G HA3 -0.142 3.818 3.960 0.001 0.000 0.219 685 G C 1.375 176.212 174.900 -0.105 0.000 1.127 685 G CA 1.018 46.066 45.100 -0.085 0.000 0.766 685 G HN 0.721 9.011 8.290 0.000 0.000 0.552 686 E N -0.686 119.451 120.200 -0.104 0.000 2.051 686 E HA -0.177 4.174 4.350 0.001 0.000 0.192 686 E C 2.058 178.561 176.600 -0.161 0.000 0.991 686 E CA 1.039 57.377 56.400 -0.103 0.000 0.799 686 E CB -0.243 29.423 29.700 -0.056 0.000 0.748 686 E HN 0.563 8.923 8.360 0.000 0.000 0.449 687 Y N 1.497 121.539 120.300 -0.430 0.000 2.439 687 Y HA -0.041 4.509 4.550 0.001 0.000 0.292 687 Y C 1.929 177.657 175.900 -0.285 0.000 1.130 687 Y CA 0.975 58.778 58.100 -0.495 0.000 1.254 687 Y CB 0.140 38.018 38.460 -0.971 0.000 1.000 687 Y HN -0.140 8.140 8.280 0.000 0.000 0.554 688 R N -0.295 120.040 120.500 -0.275 0.000 2.073 688 R HA -0.057 4.283 4.340 0.001 0.000 0.229 688 R C 2.255 178.402 176.300 -0.256 0.000 1.120 688 R CA 1.388 57.331 56.100 -0.262 0.000 0.967 688 R CB -0.229 29.979 30.300 -0.153 0.000 0.862 688 R HN 0.277 8.547 8.270 0.000 0.000 0.436 689 R N 0.472 120.850 120.500 -0.204 0.000 2.152 689 R HA -0.052 4.289 4.340 0.001 0.000 0.232 689 R C 2.178 178.354 176.300 -0.207 0.000 1.117 689 R CA 1.085 57.083 56.100 -0.171 0.000 0.981 689 R CB -0.240 29.986 30.300 -0.125 0.000 0.870 689 R HN 0.264 8.534 8.270 0.000 0.000 0.451 690 I N -0.239 120.168 120.570 -0.272 0.000 2.286 690 I HA -0.286 3.885 4.170 0.001 0.000 0.245 690 I C 2.255 178.172 176.117 -0.334 0.000 1.104 690 I CA 0.878 62.007 61.300 -0.286 0.000 1.397 690 I CB -0.260 37.569 38.000 -0.286 0.000 1.072 690 I HN 0.237 8.447 8.210 0.000 0.000 0.417 691 C N 0.653 119.676 119.300 -0.461 0.000 2.462 691 C HA -0.155 4.306 4.460 0.001 0.000 0.278 691 C C 3.168 178.018 174.990 -0.233 0.000 1.253 691 C CA 1.643 60.437 59.018 -0.373 0.000 1.713 691 C CB -1.304 26.177 27.740 -0.433 0.000 2.049 691 C HN 0.609 8.839 8.230 0.000 0.000 0.477 692 T N 0.851 115.278 114.554 -0.211 0.000 2.665 692 T HA -0.262 4.089 4.350 0.001 0.000 0.268 692 T C 1.667 176.276 174.700 -0.152 0.000 1.035 692 T CA 1.848 63.855 62.100 -0.155 0.000 1.151 692 T CB -0.712 68.075 68.868 -0.135 0.000 0.862 692 T HN 0.340 8.580 8.240 0.000 0.000 0.438 693 L N 2.365 123.487 121.223 -0.169 0.000 2.012 693 L HA 0.192 4.533 4.340 0.001 0.000 0.210 693 L C 2.781 179.541 176.870 -0.185 0.000 1.073 693 L CA 2.256 56.994 54.840 -0.169 0.000 0.748 693 L CB -1.330 40.625 42.059 -0.173 0.000 0.891 693 L HN 0.394 8.624 8.230 0.000 0.000 0.431 694 G N -1.365 107.318 108.800 -0.195 0.000 2.422 694 G HA2 -0.241 3.720 3.960 0.001 0.000 0.218 694 G HA3 -0.241 3.720 3.960 0.001 0.000 0.218 694 G C 1.420 176.239 174.900 -0.136 0.000 1.146 694 G CA 0.808 45.797 45.100 -0.186 0.000 0.769 694 G HN 0.552 8.842 8.290 0.000 0.000 0.547 695 E N 0.060 120.185 120.200 -0.125 0.000 2.051 695 E HA -0.114 4.236 4.350 0.001 0.000 0.192 695 E C 2.343 178.886 176.600 -0.094 0.000 0.991 695 E CA 1.150 57.493 56.400 -0.095 0.000 0.799 695 E CB -0.097 29.547 29.700 -0.093 0.000 0.748 695 E HN 0.435 8.795 8.360 0.000 0.000 0.449 696 K N 0.996 121.327 120.400 -0.116 0.000 2.026 696 K HA -0.145 4.176 4.320 0.001 0.000 0.208 696 K C 2.187 178.705 176.600 -0.137 0.000 1.048 696 K CA 0.979 57.193 56.287 -0.121 0.000 0.929 696 K CB -0.082 32.335 32.500 -0.140 0.000 0.713 696 K HN 0.044 8.294 8.250 0.000 0.000 0.439 697 L N 0.484 121.603 121.223 -0.173 0.000 2.012 697 L HA -0.205 4.135 4.340 0.001 0.000 0.210 697 L C 2.658 179.475 176.870 -0.088 0.000 1.073 697 L CA 1.477 56.212 54.840 -0.175 0.000 0.748 697 L CB -0.398 41.534 42.059 -0.212 0.000 0.891 697 L HN 0.208 8.438 8.230 0.000 0.000 0.431 698 R N -0.320 120.137 120.500 -0.072 0.000 2.148 698 R HA -0.070 4.271 4.340 0.001 0.000 0.227 698 R C 2.306 178.592 176.300 -0.024 0.000 1.103 698 R CA 0.991 57.074 56.100 -0.028 0.000 0.983 698 R CB -0.460 29.828 30.300 -0.019 0.000 0.874 698 R HN 0.431 8.701 8.270 0.000 0.000 0.451 699 G N 0.656 109.432 108.800 -0.041 0.000 2.448 699 G HA2 -0.150 3.810 3.960 0.001 0.000 0.218 699 G HA3 -0.150 3.810 3.960 0.001 0.000 0.218 699 G C 1.228 176.113 174.900 -0.025 0.000 1.135 699 G CA 0.166 45.246 45.100 -0.032 0.000 0.784 699 G HN 0.158 8.448 8.290 0.000 0.000 0.543 700 L N 0.246 121.449 121.223 -0.033 0.000 2.612 700 L HA 0.354 4.694 4.340 0.001 0.000 0.230 700 L C 0.610 177.485 176.870 0.010 0.000 1.140 700 L CA -0.272 54.558 54.840 -0.016 0.000 0.896 700 L CB -0.159 41.878 42.059 -0.037 0.000 1.065 700 L HN 0.090 8.320 8.230 0.000 0.000 0.447 701 L N 0.583 121.811 121.223 0.009 0.000 3.742 701 L HA -0.320 4.021 4.340 0.001 0.000 0.431 701 L C 1.938 178.830 176.870 0.037 0.000 1.220 701 L CA 0.632 55.486 54.840 0.022 0.000 0.863 701 L CB -1.321 40.752 42.059 0.023 0.000 1.751 701 L HN 0.546 8.776 8.230 0.000 0.000 0.922 702 E N -0.545 119.683 120.200 0.047 0.000 2.097 702 E HA -0.274 4.076 4.350 0.001 0.000 0.196 702 E C 1.396 178.037 176.600 0.068 0.000 1.000 702 E CA 1.541 57.990 56.400 0.083 0.000 0.804 702 E CB -0.061 29.711 29.700 0.120 0.000 0.740 702 E HN 0.625 8.985 8.360 0.000 0.000 0.454 703 E N 1.214 121.451 120.200 0.062 0.000 2.086 703 E HA -0.186 4.164 4.350 0.001 0.000 0.200 703 E C 0.245 176.842 176.600 -0.005 0.000 1.012 703 E CA 1.520 57.942 56.400 0.037 0.000 0.812 703 E CB -0.397 29.323 29.700 0.033 0.000 0.743 703 E HN 0.357 8.717 8.360 0.000 0.000 0.453 704 D N -0.443 119.954 120.400 -0.004 0.000 2.349 704 D HA 0.505 5.146 4.640 0.001 0.000 0.232 704 D C -1.124 175.166 176.300 -0.017 0.000 1.071 704 D CA -0.224 53.758 54.000 -0.030 0.000 0.832 704 D CB 0.902 41.694 40.800 -0.013 0.000 1.086 704 D HN 0.130 8.500 8.370 0.000 0.000 0.504 705 A N 2.474 125.251 122.820 -0.071 0.000 2.540 705 A HA 0.651 4.971 4.320 0.001 0.000 0.291 705 A C -1.897 175.604 177.584 -0.139 0.000 1.083 705 A CA -0.760 51.267 52.037 -0.017 0.000 0.650 705 A CB 0.624 19.635 19.000 0.018 0.000 1.292 705 A HN 0.389 8.539 8.150 0.000 0.000 0.435 706 F N -0.225 119.717 119.950 -0.014 0.000 2.551 706 F HA 0.738 5.265 4.527 0.001 0.000 0.316 706 F C -0.257 175.497 175.800 -0.077 0.000 1.089 706 F CA -0.467 57.505 58.000 -0.047 0.000 0.915 706 F CB 2.179 41.195 39.000 0.027 0.000 1.186 706 F HN 0.556 8.856 8.300 0.000 0.000 0.456 707 I N 3.807 124.367 120.570 -0.017 0.000 2.466 707 I HA 0.382 4.553 4.170 0.001 0.000 0.289 707 I C -1.430 174.579 176.117 -0.179 0.000 1.026 707 I CA -0.316 60.905 61.300 -0.131 0.000 1.078 707 I CB 1.456 39.321 38.000 -0.226 0.000 1.249 707 I HN 0.734 8.944 8.210 0.000 0.000 0.429 708 E N 7.921 128.121 120.200 -0.001 0.000 2.199 708 E HA 0.508 4.858 4.350 0.001 0.000 0.265 708 E C -0.915 175.817 176.600 0.220 0.000 0.882 708 E CA -1.047 55.422 56.400 0.115 0.000 0.759 708 E CB 2.119 31.902 29.700 0.138 0.000 1.148 708 E HN 0.380 8.740 8.360 0.000 0.000 0.412 709 R N 2.950 123.696 120.500 0.411 0.000 2.850 709 R HA 0.273 4.614 4.340 0.001 0.000 0.266 709 R C -0.700 175.672 176.300 0.120 0.000 1.782 709 R CA -0.081 56.165 56.100 0.243 0.000 1.310 709 R CB 0.963 31.423 30.300 0.267 0.000 1.337 709 R HN 0.925 9.195 8.270 0.000 0.000 0.546 710 G N 1.401 110.254 108.800 0.088 0.000 2.815 710 G HA2 0.006 3.966 3.960 0.001 0.000 0.215 710 G HA3 0.006 3.966 3.960 0.001 0.000 0.215 710 G C 0.650 175.606 174.900 0.093 0.000 1.054 710 G CA -0.085 45.072 45.100 0.096 0.000 0.832 710 G HN 0.497 8.787 8.290 0.000 0.000 0.557 711 E N 0.684 120.934 120.200 0.083 0.000 2.072 711 E HA -0.001 4.350 4.350 0.001 0.000 0.191 711 E C 1.427 178.085 176.600 0.095 0.000 0.985 711 E CA 0.512 56.954 56.400 0.071 0.000 0.801 711 E CB -0.072 29.659 29.700 0.052 0.000 0.750 711 E HN 0.512 8.872 8.360 0.000 0.000 0.452 712 R N 0.979 121.573 120.500 0.156 0.000 2.856 712 R HA 0.601 4.942 4.340 0.001 0.000 0.258 712 R C -0.285 176.165 176.300 0.249 0.000 1.066 712 R CA -1.013 55.201 56.100 0.190 0.000 1.045 712 R CB 1.305 31.739 30.300 0.224 0.000 1.178 712 R HN -0.027 8.243 8.270 0.000 0.000 0.499 713 R N 0.068 120.658 120.500 0.149 0.000 2.764 713 R HA 0.381 4.721 4.340 0.001 0.000 0.270 713 R C -1.623 174.610 176.300 -0.112 0.000 1.014 713 R CA -1.091 54.992 56.100 -0.028 0.000 0.904 713 R CB 1.867 32.198 30.300 0.052 0.000 1.236 713 R HN 0.758 9.028 8.270 0.000 0.000 0.466 714 Q N 1.702 121.233 119.800 -0.449 0.000 2.284 714 Q HA 0.415 4.756 4.340 0.001 0.000 0.269 714 Q C -2.626 173.060 176.000 -0.523 0.000 1.026 714 Q CA -2.281 53.277 55.803 -0.409 0.000 0.831 714 Q CB 3.059 31.459 28.738 -0.563 0.000 1.322 714 Q HN 0.505 8.775 8.270 0.000 0.000 0.419 715 P HA 0.009 4.429 4.420 0.000 0.000 0.268 715 P C -0.660 176.345 177.300 -0.492 0.000 1.204 715 P CA 0.060 62.640 63.100 -0.867 0.000 0.768 715 P CB 0.709 31.877 31.700 -0.888 0.000 0.842 716 V N -0.720 118.955 119.914 -0.398 0.000 2.680 716 V HA 0.731 4.852 4.120 0.001 0.000 0.309 716 V C 0.947 176.940 176.094 -0.169 0.000 1.052 716 V CA -0.522 61.627 62.300 -0.252 0.000 0.908 716 V CB 1.432 33.120 31.823 -0.226 0.000 1.001 716 V HN 0.502 8.692 8.190 0.000 0.000 0.431 717 A N 2.695 125.447 122.820 -0.114 0.000 2.132 717 A HA 0.502 4.822 4.320 0.001 0.000 0.213 717 A C 1.219 178.796 177.584 -0.012 0.000 1.154 717 A CA 1.007 53.003 52.037 -0.069 0.000 0.753 717 A CB -0.103 18.858 19.000 -0.066 0.000 0.826 717 A HN 1.266 9.416 8.150 0.000 0.000 0.469 718 S N -3.221 112.482 115.700 0.006 0.000 2.618 718 S HA 0.511 4.982 4.470 0.001 0.000 0.277 718 S C 0.187 174.838 174.600 0.086 0.000 1.138 718 S CA -0.463 57.800 58.200 0.105 0.000 0.844 718 S CB 0.768 64.058 63.200 0.149 0.000 1.127 718 S HN 0.370 8.680 8.310 0.000 0.000 0.474 719 F N 2.373 122.323 119.950 0.000 0.000 2.186 719 F HA 0.069 4.596 4.527 0.001 0.000 0.299 719 F C 2.212 177.899 175.800 -0.189 0.000 1.090 719 F CA 2.316 60.253 58.000 -0.104 0.000 1.307 719 F CB -0.151 38.764 39.000 -0.141 0.000 1.019 719 F HN 0.893 9.193 8.300 0.000 0.000 0.489 720 E N -0.066 120.102 120.200 -0.053 0.000 2.150 720 E HA -0.297 4.053 4.350 0.001 0.000 0.193 720 E C 2.115 178.647 176.600 -0.113 0.000 0.985 720 E CA 1.251 57.561 56.400 -0.150 0.000 0.814 720 E CB -0.697 29.124 29.700 0.201 0.000 0.752 720 E HN 0.665 9.025 8.360 0.000 0.000 0.466 721 Q N 0.146 119.911 119.800 -0.057 0.000 2.224 721 Q HA -0.088 4.252 4.340 0.001 0.000 0.203 721 Q C 1.986 177.940 176.000 -0.077 0.000 0.970 721 Q CA 1.198 56.977 55.803 -0.041 0.000 0.865 721 Q CB -0.084 28.634 28.738 -0.034 0.000 0.922 721 Q HN 0.436 8.706 8.270 0.000 0.000 0.445 722 A N 0.424 123.123 122.820 -0.203 0.000 1.930 722 A HA -0.046 4.275 4.320 0.001 0.000 0.215 722 A C 1.900 179.366 177.584 -0.196 0.000 1.176 722 A CA 0.460 52.360 52.037 -0.229 0.000 0.632 722 A CB -0.409 18.370 19.000 -0.368 0.000 0.819 722 A HN 0.478 8.628 8.150 0.000 0.000 0.445 723 L N -0.684 120.309 121.223 -0.383 0.000 2.109 723 L HA -0.120 4.220 4.340 0.001 0.000 0.207 723 L C 1.716 178.527 176.870 -0.098 0.000 1.086 723 L CA 1.326 55.985 54.840 -0.303 0.000 0.760 723 L CB -0.295 41.499 42.059 -0.442 0.000 0.910 723 L HN 0.293 8.523 8.230 0.000 0.000 0.437 724 D N -0.836 119.535 120.400 -0.048 0.000 2.144 724 D HA -0.259 4.382 4.640 0.001 0.000 0.199 724 D C 1.605 177.932 176.300 0.045 0.000 0.984 724 D CA 1.199 55.207 54.000 0.013 0.000 0.834 724 D CB -0.208 40.614 40.800 0.037 0.000 0.955 724 D HN 0.479 8.849 8.370 0.000 0.000 0.465 725 W N 1.362 122.600 121.300 -0.105 0.000 2.381 725 W HA -0.042 4.620 4.660 0.002 0.000 0.301 725 W C 2.035 178.504 176.519 -0.083 0.000 1.205 725 W CA 0.821 58.116 57.345 -0.084 0.000 1.285 725 W CB -0.279 29.128 29.460 -0.088 0.000 1.133 725 W HN -0.114 8.066 8.180 0.000 0.000 0.521 726 L N -0.140 121.146 121.223 0.104 0.000 2.013 726 L HA -0.291 4.050 4.340 0.001 0.000 0.212 726 L C 2.177 178.929 176.870 -0.196 0.000 1.073 726 L CA 1.731 56.532 54.840 -0.064 0.000 0.753 726 L CB -1.425 40.628 42.059 -0.010 0.000 0.890 726 L HN -0.114 8.116 8.230 0.000 0.000 0.432 727 V N -0.374 119.460 119.914 -0.134 0.000 2.515 727 V HA -0.251 3.869 4.120 0.001 0.000 0.250 727 V C 2.338 178.332 176.094 -0.167 0.000 1.058 727 V CA 1.557 63.781 62.300 -0.128 0.000 1.064 727 V CB -0.591 31.190 31.823 -0.070 0.000 0.675 727 V HN 0.427 8.617 8.190 0.000 0.000 0.461 728 K N -0.299 119.972 120.400 -0.216 0.000 2.211 728 K HA -0.124 4.197 4.320 0.001 0.000 0.203 728 K C 2.189 178.594 176.600 -0.324 0.000 1.050 728 K CA 1.047 57.189 56.287 -0.241 0.000 0.945 728 K CB -0.064 32.285 32.500 -0.250 0.000 0.732 728 K HN 0.474 8.724 8.250 0.000 0.000 0.451 729 E N 0.421 120.337 120.200 -0.472 0.000 2.033 729 E HA -0.113 4.238 4.350 0.001 0.000 0.189 729 E C 2.184 178.625 176.600 -0.265 0.000 0.979 729 E CA 1.453 57.579 56.400 -0.456 0.000 0.802 729 E CB -0.275 29.031 29.700 -0.657 0.000 0.763 729 E HN 0.282 8.642 8.360 0.000 0.000 0.449 730 S N 1.312 116.872 115.700 -0.232 0.000 2.402 730 S HA -0.161 4.309 4.470 0.001 0.000 0.233 730 S C 1.901 176.427 174.600 -0.123 0.000 1.030 730 S CA 1.079 59.177 58.200 -0.170 0.000 1.003 730 S CB -0.343 62.752 63.200 -0.176 0.000 0.813 730 S HN 0.157 8.467 8.310 0.000 0.000 0.477 731 R N 0.476 120.908 120.500 -0.113 0.000 2.300 731 R HA 0.287 4.627 4.340 0.001 0.000 0.199 731 R C 2.417 178.680 176.300 -0.061 0.000 0.920 731 R CA 0.228 56.290 56.100 -0.065 0.000 1.046 731 R CB -0.164 30.104 30.300 -0.053 0.000 0.984 731 R HN 0.471 8.741 8.270 0.000 0.000 0.493 732 R N 0.555 121.000 120.500 -0.091 0.000 2.096 732 R HA -0.138 4.203 4.340 0.001 0.000 0.240 732 R C 1.567 177.838 176.300 -0.047 0.000 1.139 732 R CA 2.004 58.056 56.100 -0.080 0.000 0.952 732 R CB -0.256 29.980 30.300 -0.106 0.000 0.854 732 R HN 0.267 8.537 8.270 0.000 0.000 0.436 733 G N 0.135 108.911 108.800 -0.039 0.000 3.324 733 G HA2 0.208 4.168 3.960 0.001 0.000 0.251 733 G HA3 0.208 4.168 3.960 0.001 0.000 0.251 733 G C -0.190 174.706 174.900 -0.006 0.000 1.072 733 G CA -0.281 44.807 45.100 -0.021 0.000 0.787 733 G HN 0.228 8.518 8.290 0.000 0.000 0.537 734 L N -0.038 121.186 121.223 0.001 0.000 2.375 734 L HA 0.899 5.239 4.340 0.001 0.000 0.268 734 L C -0.084 176.799 176.870 0.022 0.000 1.058 734 L CA -1.529 53.325 54.840 0.023 0.000 0.803 734 L CB 1.588 43.681 42.059 0.056 0.000 1.212 734 L HN -0.043 8.187 8.230 0.000 0.000 0.451 735 S N 0.927 116.642 115.700 0.026 0.000 2.536 735 S HA 0.874 5.344 4.470 0.001 0.000 0.298 735 S C -0.551 174.070 174.600 0.035 0.000 1.083 735 S CA -0.682 57.532 58.200 0.023 0.000 0.995 735 S CB 1.205 64.413 63.200 0.013 0.000 1.058 735 S HN 0.629 8.939 8.310 0.000 0.000 0.488 736 I N 1.750 122.345 120.570 0.043 0.000 2.447 736 I HA 0.400 4.570 4.170 0.001 0.000 0.287 736 I C -0.465 175.684 176.117 0.054 0.000 1.023 736 I CA -0.422 60.924 61.300 0.077 0.000 1.083 736 I CB 1.982 40.052 38.000 0.118 0.000 1.245 736 I HN 0.709 8.919 8.210 0.000 0.000 0.434 737 Q N 6.998 126.809 119.800 0.018 0.000 2.333 737 Q HA 0.449 4.790 4.340 0.001 0.000 0.265 737 Q C -0.805 175.057 176.000 -0.230 0.000 0.989 737 Q CA -0.819 54.907 55.803 -0.128 0.000 0.842 737 Q CB 1.955 30.560 28.738 -0.222 0.000 1.262 737 Q HN 0.602 8.872 8.270 0.000 0.000 0.451 738 R N 3.573 123.901 120.500 -0.285 0.000 2.312 738 R HA 0.273 4.613 4.340 0.001 0.000 0.311 738 R C -1.435 174.618 176.300 -0.412 0.000 1.004 738 R CA -0.265 55.583 56.100 -0.421 0.000 0.902 738 R CB 0.691 30.757 30.300 -0.390 0.000 1.073 738 R HN 0.564 8.834 8.270 0.000 0.000 0.457 739 Y N 3.070 123.246 120.300 -0.207 0.000 2.323 739 Y HA 0.233 4.784 4.550 0.002 0.000 0.331 739 Y C 0.929 176.754 175.900 -0.125 0.000 1.092 739 Y CA -0.181 57.841 58.100 -0.130 0.000 1.150 739 Y CB 1.881 40.276 38.460 -0.110 0.000 1.200 739 Y HN 0.545 8.825 8.280 0.000 0.000 0.472 740 K N 1.603 122.042 120.400 0.065 0.000 2.399 740 K HA 0.324 4.645 4.320 0.001 0.000 0.196 740 K C 0.427 177.047 176.600 0.035 0.000 1.103 740 K CA 0.243 56.543 56.287 0.021 0.000 0.986 740 K CB 1.095 33.592 32.500 -0.004 0.000 0.952 740 K HN 0.806 9.056 8.250 0.000 0.000 0.541 741 G N 0.045 108.883 108.800 0.064 0.000 2.718 741 G HA2 0.321 4.282 3.960 0.001 0.000 0.295 741 G HA3 0.321 4.282 3.960 0.001 0.000 0.295 741 G C 0.211 175.130 174.900 0.031 0.000 1.421 741 G CA -0.729 44.393 45.100 0.037 0.000 0.902 741 G HN -0.074 8.216 8.290 0.000 0.000 0.501 742 L N 1.105 122.321 121.223 -0.011 0.000 2.042 742 L HA -0.004 4.336 4.340 0.001 0.000 0.210 742 L C 2.912 179.767 176.870 -0.024 0.000 1.076 742 L CA 1.705 56.516 54.840 -0.049 0.000 0.749 742 L CB -0.215 41.814 42.059 -0.049 0.000 0.893 742 L HN 0.693 8.923 8.230 0.000 0.000 0.432 743 G N -0.750 108.051 108.800 0.002 0.000 2.586 743 G HA2 -0.111 3.850 3.960 0.001 0.000 0.215 743 G HA3 -0.111 3.850 3.960 0.001 0.000 0.215 743 G C 0.694 175.613 174.900 0.033 0.000 1.128 743 G CA 0.067 45.173 45.100 0.010 0.000 0.774 743 G HN 0.365 8.655 8.290 0.000 0.000 0.543 747 P HA -0.175 4.245 4.420 0.000 0.000 0.216 747 P C 1.160 178.485 177.300 0.043 0.000 1.153 747 P CA 1.749 64.851 63.100 0.004 0.000 0.858 747 P CB 0.341 32.033 31.700 -0.014 0.000 0.789 748 E N 0.234 120.461 120.200 0.046 0.000 2.051 748 E HA -0.249 4.102 4.350 0.001 0.000 0.192 748 E C 1.991 178.673 176.600 0.137 0.000 0.991 748 E CA 1.069 57.526 56.400 0.096 0.000 0.799 748 E CB -1.111 28.630 29.700 0.068 0.000 0.748 748 E HN 0.308 8.668 8.360 0.000 0.000 0.449 749 Q N 0.297 120.139 119.800 0.070 0.000 2.124 749 Q HA -0.124 4.217 4.340 0.001 0.000 0.202 749 Q C 2.307 178.259 176.000 -0.081 0.000 0.977 749 Q CA 1.197 57.009 55.803 0.016 0.000 0.850 749 Q CB -0.170 28.578 28.738 0.018 0.000 0.901 749 Q HN 0.230 8.500 8.270 0.000 0.000 0.429 750 L N 0.608 121.798 121.223 -0.056 0.000 2.131 750 L HA -0.156 4.184 4.340 0.001 0.000 0.210 750 L C 1.846 178.684 176.870 -0.053 0.000 1.092 750 L CA 1.622 56.400 54.840 -0.103 0.000 0.759 750 L CB -0.613 41.403 42.059 -0.073 0.000 0.903 750 L HN 0.445 8.675 8.230 0.000 0.000 0.435 751 W N 0.757 121.976 121.300 -0.135 0.000 2.354 751 W HA -0.223 4.437 4.660 -0.000 0.000 0.315 751 W C 1.890 178.355 176.519 -0.091 0.000 1.206 751 W CA 1.775 59.054 57.345 -0.109 0.000 1.290 751 W CB -0.143 29.274 29.460 -0.072 0.000 1.152 751 W HN 0.242 8.422 8.180 0.000 0.000 0.489 752 E N -0.410 119.709 120.200 -0.135 0.000 2.265 752 E HA -0.190 4.161 4.350 0.001 0.000 0.196 752 E C 2.069 178.495 176.600 -0.290 0.000 0.996 752 E CA 2.101 58.376 56.400 -0.208 0.000 0.832 752 E CB -0.120 29.621 29.700 0.067 0.000 0.756 752 E HN 0.369 8.729 8.360 0.000 0.000 0.491 753 T N -3.076 111.252 114.554 -0.377 0.000 3.046 753 T HA 0.084 4.435 4.350 0.001 0.000 0.242 753 T C 1.202 175.712 174.700 -0.317 0.000 1.018 753 T CA 0.154 61.982 62.100 -0.454 0.000 1.131 753 T CB 0.332 68.811 68.868 -0.647 0.000 0.904 753 T HN -0.141 8.099 8.240 0.000 0.000 0.459 757 P HA -0.194 4.226 4.420 0.000 0.000 0.217 757 P C 0.817 178.042 177.300 -0.124 0.000 1.162 757 P CA 1.568 64.587 63.100 -0.134 0.000 0.901 757 P CB 0.405 32.081 31.700 -0.039 0.000 0.793 758 E N -0.942 119.190 120.200 -0.113 0.000 2.047 758 E HA -0.101 4.249 4.350 0.001 0.000 0.191 758 E C 2.172 178.718 176.600 -0.089 0.000 0.987 758 E CA 1.582 57.937 56.400 -0.075 0.000 0.799 758 E CB -0.748 28.927 29.700 -0.041 0.000 0.752 758 E HN 0.175 8.534 8.360 0.000 0.000 0.449 759 S N 0.646 116.260 115.700 -0.142 0.000 2.362 759 S HA -0.058 4.412 4.470 0.001 0.000 0.221 759 S C 0.878 175.406 174.600 -0.120 0.000 1.032 759 S CA 0.480 58.611 58.200 -0.116 0.000 0.973 759 S CB -0.374 62.736 63.200 -0.150 0.000 0.849 759 S HN 0.292 8.602 8.310 0.000 0.000 0.465 760 R N 1.974 122.367 120.500 -0.178 0.000 2.758 760 R HA 0.224 4.564 4.340 0.001 0.000 0.263 760 R C 0.097 176.344 176.300 -0.088 0.000 1.010 760 R CA 0.131 56.143 56.100 -0.146 0.000 1.114 760 R CB 0.444 30.654 30.300 -0.150 0.000 0.985 760 R HN 0.189 8.459 8.270 0.000 0.000 0.439 764 R N 3.340 123.980 120.500 0.233 0.000 2.594 764 R HA 0.598 4.939 4.340 0.001 0.000 0.272 764 R C -0.463 175.841 176.300 0.006 0.000 1.074 764 R CA -0.498 55.687 56.100 0.141 0.000 1.105 764 R CB 0.969 31.340 30.300 0.118 0.000 1.008 764 R HN 0.348 8.618 8.270 0.000 0.000 0.472 765 V N -0.551 119.316 119.914 -0.077 0.000 2.481 765 V HA 0.464 4.584 4.120 0.001 0.000 0.286 765 V C 0.397 176.457 176.094 -0.058 0.000 1.042 765 V CA -0.749 61.527 62.300 -0.040 0.000 0.928 765 V CB 1.282 33.099 31.823 -0.011 0.000 0.986 765 V HN 0.984 9.174 8.190 0.000 0.000 0.462 766 T N 0.824 115.362 114.554 -0.028 0.000 2.918 766 T HA 0.382 4.733 4.350 0.001 0.000 0.283 766 T C 1.007 175.701 174.700 -0.010 0.000 1.001 766 T CA 0.181 62.266 62.100 -0.025 0.000 1.041 766 T CB 1.685 70.544 68.868 -0.015 0.000 1.028 766 T HN 0.911 9.151 8.240 0.000 0.000 0.511 767 V N 1.230 121.146 119.914 0.004 0.000 2.688 767 V HA -0.101 4.020 4.120 0.001 0.000 0.256 767 V C 2.428 178.520 176.094 -0.003 0.000 1.084 767 V CA 2.281 64.608 62.300 0.044 0.000 1.103 767 V CB -0.960 30.907 31.823 0.073 0.000 0.688 767 V HN 1.017 9.207 8.190 0.000 0.000 0.480 768 K N -0.976 119.411 120.400 -0.021 0.000 2.296 768 K HA -0.119 4.202 4.320 0.001 0.000 0.200 768 K C 1.578 178.137 176.600 -0.067 0.000 1.048 768 K CA 1.436 57.694 56.287 -0.048 0.000 0.966 768 K CB -0.117 32.368 32.500 -0.025 0.000 0.754 768 K HN 0.457 8.707 8.250 0.000 0.000 0.466 769 D N 0.759 121.132 120.400 -0.045 0.000 2.183 769 D HA -0.010 4.631 4.640 0.001 0.000 0.205 769 D C 1.778 178.047 176.300 -0.051 0.000 0.962 769 D CA 1.092 55.071 54.000 -0.036 0.000 0.849 769 D CB 0.064 40.858 40.800 -0.010 0.000 0.978 769 D HN 0.328 8.698 8.370 0.000 0.000 0.488 770 A N 0.829 123.620 122.820 -0.048 0.000 1.969 770 A HA -0.090 4.230 4.320 0.001 0.000 0.218 770 A C 2.314 179.736 177.584 -0.270 0.000 1.169 770 A CA 0.612 52.621 52.037 -0.046 0.000 0.635 770 A CB -0.597 18.458 19.000 0.092 0.000 0.810 770 A HN 0.166 8.316 8.150 0.000 0.000 0.445 771 I N -0.354 119.948 120.570 -0.446 0.000 2.226 771 I HA -0.298 3.873 4.170 0.001 0.000 0.245 771 I C 2.899 178.830 176.117 -0.310 0.000 1.100 771 I CA 1.188 62.094 61.300 -0.656 0.000 1.374 771 I CB -0.241 37.485 38.000 -0.456 0.000 1.057 771 I HN 0.381 8.591 8.210 0.000 0.000 0.413 772 A N 0.293 123.011 122.820 -0.169 0.000 2.014 772 A HA -0.024 4.296 4.320 0.001 0.000 0.218 772 A C 2.419 179.976 177.584 -0.045 0.000 1.163 772 A CA 1.469 53.456 52.037 -0.083 0.000 0.652 772 A CB -0.513 18.456 19.000 -0.052 0.000 0.808 772 A HN 0.442 8.592 8.150 0.000 0.000 0.449 773 A N -0.379 122.412 122.820 -0.048 0.000 2.016 773 A HA -0.073 4.247 4.320 0.001 0.000 0.217 773 A C 1.878 179.488 177.584 0.043 0.000 1.162 773 A CA 1.597 53.638 52.037 0.007 0.000 0.662 773 A CB -0.332 18.674 19.000 0.010 0.000 0.812 773 A HN 0.481 8.631 8.150 0.000 0.000 0.450 774 D N -0.346 120.047 120.400 -0.012 0.000 2.123 774 D HA -0.200 4.441 4.640 0.001 0.000 0.200 774 D C 2.023 178.388 176.300 0.109 0.000 0.976 774 D CA 1.574 55.608 54.000 0.056 0.000 0.831 774 D CB -0.248 40.555 40.800 0.004 0.000 0.974 774 D HN 0.604 8.974 8.370 0.000 0.000 0.469 775 Q N -0.376 119.443 119.800 0.031 0.000 2.061 775 Q HA -0.177 4.164 4.340 0.001 0.000 0.204 775 Q C 2.356 178.398 176.000 0.070 0.000 0.984 775 Q CA 1.231 57.059 55.803 0.042 0.000 0.846 775 Q CB -0.250 28.487 28.738 -0.001 0.000 0.902 775 Q HN 0.266 8.536 8.270 0.000 0.000 0.421 776 L N 0.267 121.535 121.223 0.073 0.000 2.017 776 L HA -0.128 4.213 4.340 0.001 0.000 0.208 776 L C 2.101 179.045 176.870 0.124 0.000 1.073 776 L CA 1.818 56.706 54.840 0.080 0.000 0.745 776 L CB -0.967 41.133 42.059 0.069 0.000 0.894 776 L HN 0.404 8.634 8.230 0.000 0.000 0.432 777 F N 0.116 120.087 119.950 0.034 0.000 2.095 777 F HA -0.263 4.265 4.527 0.001 0.000 0.298 777 F C 2.289 178.112 175.800 0.038 0.000 1.104 777 F CA 2.338 60.367 58.000 0.048 0.000 1.232 777 F CB -0.736 38.294 39.000 0.050 0.000 0.987 777 F HN 0.097 8.397 8.300 0.000 0.000 0.475 778 T N -0.590 114.043 114.554 0.133 0.000 2.788 778 T HA -0.166 4.185 4.350 0.001 0.000 0.268 778 T C 1.851 176.522 174.700 -0.048 0.000 1.044 778 T CA 1.911 64.027 62.100 0.027 0.000 1.139 778 T CB -0.583 68.346 68.868 0.103 0.000 0.867 778 T HN 0.325 8.565 8.240 0.000 0.000 0.454 779 T N 2.406 116.950 114.554 -0.017 0.000 2.708 779 T HA 0.065 4.415 4.350 0.001 0.000 0.266 779 T C 1.126 175.792 174.700 -0.057 0.000 1.037 779 T CA 0.655 62.741 62.100 -0.023 0.000 1.146 779 T CB -0.442 68.426 68.868 0.000 0.000 0.865 779 T HN 0.256 8.496 8.240 0.000 0.000 0.435 783 D N 0.078 120.452 120.400 -0.044 0.000 2.736 783 D HA 0.685 5.326 4.640 0.001 0.000 0.223 783 D C -0.356 175.926 176.300 -0.031 0.000 1.231 783 D CA 0.352 54.335 54.000 -0.029 0.000 0.818 783 D CB 2.285 43.073 40.800 -0.020 0.000 1.587 783 D HN 0.603 8.973 8.370 0.000 0.000 0.463 784 A N 0.000 122.812 122.820 -0.014 0.000 2.254 784 A HA 0.000 4.321 4.320 0.001 0.000 0.244 784 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 784 A CB 0.000 19.002 19.000 0.004 0.000 0.831 784 A HN 0.000 8.150 8.150 0.000 0.000 0.486