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 1rr9_1_B DATA FIRST_RESID 594 DATA SEQUENCE RVGQVTGLAW TEVGGDLLTI ETAcVPGKGK LTYTGSLGEV MQESIQAALT DATA SEQUENCE VVRARAEKLG INPDFYEKRD IHVHVPEGAT PKDGPAAGIA MCTALVScLT DATA SEQUENCE GNPVRADVAM TGEITLRGQV LPIGGLKEKL LAAHRGGIKT VLIPFENKRD DATA SEQUENCE LEEIPDNVIA DLDIHPVKRI EEVLTLALQN EP 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 594 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 594 R C 0.000 176.295 176.300 -0.008 0.000 0.893 594 R CA 0.000 56.096 56.100 -0.007 0.000 0.921 594 R CB 0.000 30.300 30.300 -0.000 0.000 0.687 595 V N 2.015 121.924 119.914 -0.008 0.000 2.408 595 V HA 0.662 4.782 4.120 0.000 0.000 0.267 595 V C 1.776 177.866 176.094 -0.008 0.000 1.047 595 V CA 1.415 63.709 62.300 -0.010 0.000 0.937 595 V CB 1.142 32.958 31.823 -0.011 0.000 0.999 595 V HN 1.970 10.160 8.190 -0.000 0.000 0.472 596 G N 4.018 112.813 108.800 -0.009 0.000 2.179 596 G HA2 -0.189 3.771 3.960 0.000 0.000 0.260 596 G HA3 -0.189 3.771 3.960 0.000 0.000 0.260 596 G C 0.123 175.024 174.900 0.002 0.000 0.977 596 G CA -0.203 44.895 45.100 -0.003 0.000 0.641 596 G HN 0.592 8.882 8.290 -0.000 0.000 0.533 597 Q N 0.149 119.948 119.800 -0.001 0.000 2.333 597 Q HA 0.631 4.972 4.340 0.000 0.000 0.265 597 Q C -0.564 175.434 176.000 -0.003 0.000 0.989 597 Q CA -0.427 55.376 55.803 0.001 0.000 0.842 597 Q CB 2.680 31.418 28.738 -0.000 0.000 1.262 597 Q HN 0.265 8.535 8.270 -0.000 0.000 0.451 598 V N 1.536 121.449 119.914 -0.002 0.000 2.789 598 V HA 0.403 4.523 4.120 0.000 0.000 0.311 598 V C -0.155 175.936 176.094 -0.004 0.000 1.073 598 V CA -0.732 61.565 62.300 -0.004 0.000 0.921 598 V CB 2.397 34.217 31.823 -0.004 0.000 1.009 598 V HN 0.682 8.872 8.190 -0.000 0.000 0.426 599 T N 3.335 117.887 114.554 -0.003 0.000 2.738 599 T HA 0.574 4.924 4.350 0.000 0.000 0.298 599 T C 0.351 175.051 174.700 0.001 0.000 0.962 599 T CA -0.116 61.983 62.100 -0.003 0.000 0.972 599 T CB 0.883 69.750 68.868 -0.001 0.000 0.928 599 T HN 0.977 9.217 8.240 -0.000 0.000 0.474 600 G N 2.388 111.188 108.800 -0.000 0.000 2.432 600 G HA2 0.663 4.624 3.960 0.000 0.000 0.331 600 G HA3 0.663 4.624 3.960 0.000 0.000 0.331 600 G C -0.895 174.010 174.900 0.008 0.000 1.170 600 G CA -0.846 44.258 45.100 0.006 0.000 0.943 600 G HN 0.690 8.980 8.290 -0.000 0.000 0.483 601 L N 1.498 122.732 121.223 0.018 0.000 2.277 601 L HA 0.676 5.016 4.340 0.000 0.000 0.284 601 L C 0.254 177.147 176.870 0.038 0.000 1.028 601 L CA -0.557 54.296 54.840 0.022 0.000 0.835 601 L CB 1.185 43.259 42.059 0.026 0.000 1.215 601 L HN 0.634 8.864 8.230 -0.000 0.000 0.425 602 A N 2.561 125.406 122.820 0.043 0.000 2.539 602 A HA 0.492 4.812 4.320 0.000 0.000 0.296 602 A C -1.439 176.214 177.584 0.116 0.000 1.073 602 A CA -0.583 51.506 52.037 0.088 0.000 0.700 602 A CB 0.999 20.045 19.000 0.076 0.000 1.296 602 A HN 0.665 8.815 8.150 -0.000 0.000 0.405 603 W N 1.895 123.191 121.300 -0.007 0.000 2.253 603 W HA 0.385 5.045 4.660 0.000 0.000 0.348 603 W C 0.668 177.183 176.519 -0.008 0.000 1.267 603 W CA 2.409 59.750 57.345 -0.006 0.000 1.298 603 W CB 0.629 30.086 29.460 -0.005 0.000 1.181 603 W HN 1.101 9.281 8.180 -0.000 0.000 0.585 604 T N 1.740 115.711 114.554 -0.971 0.000 2.821 604 T HA 0.163 4.514 4.350 0.000 0.000 0.306 604 T C 0.382 174.111 174.700 -1.619 0.000 1.313 604 T CA -0.762 60.811 62.100 -0.879 0.000 1.012 604 T CB 1.691 70.308 68.868 -0.419 0.000 1.298 604 T HN 0.505 8.745 8.240 -0.000 0.000 0.502 605 E N 0.539 120.172 120.200 -0.945 0.000 2.118 605 E HA -0.090 4.260 4.350 0.000 0.000 0.195 605 E C 2.013 178.360 176.600 -0.423 0.000 0.992 605 E CA 1.812 57.849 56.400 -0.604 0.000 0.804 605 E CB -0.333 29.266 29.700 -0.168 0.000 0.741 605 E HN 0.697 9.056 8.360 -0.000 0.000 0.458 606 V N -3.011 116.688 119.914 -0.358 0.000 3.620 606 V HA 0.426 4.546 4.120 0.000 0.000 0.286 606 V C 0.792 176.735 176.094 -0.252 0.000 1.288 606 V CA 0.538 62.700 62.300 -0.229 0.000 1.178 606 V CB -0.342 31.387 31.823 -0.156 0.000 0.986 606 V HN 0.182 8.372 8.190 -0.000 0.000 0.431 607 G N -0.716 107.832 108.800 -0.419 0.000 2.359 607 G HA2 0.342 4.303 3.960 0.000 0.000 0.303 607 G HA3 0.342 4.303 3.960 0.000 0.000 0.303 607 G C 0.078 174.705 174.900 -0.454 0.000 1.293 607 G CA -0.372 44.526 45.100 -0.338 0.000 0.964 607 G HN 0.884 9.174 8.290 -0.000 0.000 0.531 608 G N -0.154 108.514 108.800 -0.219 0.000 3.609 608 G HA2 0.461 4.421 3.960 0.000 0.000 0.280 608 G HA3 0.461 4.421 3.960 0.000 0.000 0.280 608 G C 0.451 175.310 174.900 -0.067 0.000 1.155 608 G CA 0.939 45.970 45.100 -0.115 0.000 0.876 608 G HN 1.051 9.341 8.290 -0.000 0.000 0.535 609 D N 0.259 120.598 120.400 -0.102 0.000 2.223 609 D HA 0.226 4.866 4.640 0.000 0.000 0.250 609 D C 0.783 177.058 176.300 -0.042 0.000 1.287 609 D CA -0.513 53.450 54.000 -0.061 0.000 0.977 609 D CB 0.136 40.896 40.800 -0.068 0.000 1.177 609 D HN 0.149 8.519 8.370 -0.000 0.000 0.536 610 L N -2.339 118.867 121.223 -0.030 0.000 2.350 610 L HA 0.542 4.882 4.340 0.000 0.000 0.275 610 L C -0.835 176.018 176.870 -0.029 0.000 1.099 610 L CA -0.547 54.281 54.840 -0.019 0.000 0.808 610 L CB 0.462 42.516 42.059 -0.008 0.000 1.149 610 L HN 0.372 8.602 8.230 -0.000 0.000 0.442 611 L N 2.301 123.510 121.223 -0.023 0.000 2.362 611 L HA 0.530 4.871 4.340 0.000 0.000 0.271 611 L C 0.155 177.011 176.870 -0.023 0.000 1.002 611 L CA -0.665 54.157 54.840 -0.031 0.000 0.818 611 L CB 2.086 44.127 42.059 -0.031 0.000 1.298 611 L HN 0.800 9.030 8.230 -0.000 0.000 0.420 612 T N 3.118 117.655 114.554 -0.028 0.000 2.832 612 T HA 0.491 4.841 4.350 0.000 0.000 0.313 612 T C -0.271 174.417 174.700 -0.021 0.000 1.035 612 T CA -0.433 61.656 62.100 -0.019 0.000 0.950 612 T CB -0.379 68.481 68.868 -0.014 0.000 0.984 612 T HN 0.217 8.457 8.240 -0.000 0.000 0.486 613 I N 4.961 125.523 120.570 -0.013 0.000 2.529 613 I HA 0.293 4.463 4.170 0.000 0.000 0.284 613 I C 0.776 176.899 176.117 0.010 0.000 1.082 613 I CA 0.212 61.508 61.300 -0.007 0.000 1.406 613 I CB 0.862 38.860 38.000 -0.004 0.000 1.405 613 I HN 0.629 8.839 8.210 -0.000 0.000 0.548 614 E N 3.743 123.961 120.200 0.031 0.000 2.227 614 E HA 0.715 5.065 4.350 0.000 0.000 0.268 614 E C -0.996 175.643 176.600 0.065 0.000 0.907 614 E CA -0.843 55.584 56.400 0.045 0.000 0.786 614 E CB 2.059 31.798 29.700 0.065 0.000 1.191 614 E HN 0.491 8.851 8.360 -0.000 0.000 0.411 615 T N 0.773 115.355 114.554 0.047 0.000 2.952 615 T HA 0.615 4.965 4.350 0.000 0.000 0.305 615 T C -1.425 173.302 174.700 0.045 0.000 1.064 615 T CA -0.718 61.421 62.100 0.065 0.000 1.008 615 T CB 1.593 70.492 68.868 0.051 0.000 1.078 615 T HN 0.504 8.744 8.240 -0.000 0.000 0.459 616 A N 1.497 124.361 122.820 0.073 0.000 2.353 616 A HA 0.632 4.952 4.320 0.000 0.000 0.299 616 A C 0.057 177.695 177.584 0.090 0.000 1.089 616 A CA -0.868 51.203 52.037 0.056 0.000 0.736 616 A CB 0.336 19.353 19.000 0.028 0.000 1.195 616 A HN 1.152 9.302 8.150 -0.000 0.000 0.447 617 c N 2.202 120.838 118.600 0.060 0.000 2.787 617 c HA 0.643 5.213 4.570 0.000 0.000 0.265 617 c C 0.192 174.313 174.090 0.053 0.000 1.190 617 c CA -0.928 55.440 56.329 0.066 0.000 1.616 617 c CB -1.182 41.346 42.510 0.030 0.000 1.732 617 c HN 0.707 8.937 8.230 -0.000 0.000 0.433 618 V N 3.731 123.680 119.914 0.060 0.000 2.863 618 V HA 0.624 4.744 4.120 0.000 0.000 0.307 618 V C -1.924 174.197 176.094 0.045 0.000 1.061 618 V CA -1.726 60.600 62.300 0.044 0.000 1.024 618 V CB 2.033 33.880 31.823 0.041 0.000 1.049 618 V HN 0.668 8.858 8.190 -0.000 0.000 0.471 619 P HA 0.312 4.732 4.420 -0.000 0.000 0.267 619 P C -0.195 177.118 177.300 0.023 0.000 1.205 619 P CA 0.571 63.687 63.100 0.027 0.000 0.765 619 P CB 0.823 32.534 31.700 0.017 0.000 0.828 620 G N 2.749 111.560 108.800 0.019 0.000 2.604 620 G HA2 0.257 4.217 3.960 0.000 0.000 0.242 620 G HA3 0.257 4.217 3.960 0.000 0.000 0.242 620 G C -0.488 174.408 174.900 -0.007 0.000 1.208 620 G CA -0.584 44.521 45.100 0.009 0.000 0.912 620 G HN 0.297 8.587 8.290 -0.000 0.000 0.502 621 K N -0.003 120.390 120.400 -0.012 0.000 2.414 621 K HA 0.439 4.759 4.320 0.000 0.000 0.204 621 K C 0.796 177.374 176.600 -0.036 0.000 1.026 621 K CA 0.324 56.592 56.287 -0.031 0.000 1.108 621 K CB 1.427 33.912 32.500 -0.026 0.000 0.855 621 K HN 1.410 9.660 8.250 -0.000 0.000 0.517 622 G N 3.083 111.877 108.800 -0.011 0.000 2.255 622 G HA2 -0.262 3.698 3.960 0.000 0.000 0.239 622 G HA3 -0.262 3.698 3.960 0.000 0.000 0.239 622 G C -0.549 174.368 174.900 0.028 0.000 1.083 622 G CA -0.140 44.966 45.100 0.010 0.000 0.826 622 G HN 0.377 8.667 8.290 -0.000 0.000 0.493 623 K N -0.087 120.323 120.400 0.017 0.000 2.244 623 K HA 0.801 5.121 4.320 0.000 0.000 0.260 623 K C -0.146 176.439 176.600 -0.024 0.000 0.951 623 K CA -1.303 54.975 56.287 -0.015 0.000 0.826 623 K CB 2.005 34.481 32.500 -0.040 0.000 1.108 623 K HN 0.013 8.263 8.250 -0.000 0.000 0.433 624 L N 2.847 124.025 121.223 -0.076 0.000 2.272 624 L HA 0.371 4.711 4.340 0.000 0.000 0.289 624 L C -0.177 176.396 176.870 -0.496 0.000 1.032 624 L CA -0.410 54.356 54.840 -0.123 0.000 0.810 624 L CB 0.649 42.740 42.059 0.053 0.000 1.205 624 L HN 0.765 8.995 8.230 -0.000 0.000 0.422 625 T N 3.735 118.067 114.554 -0.369 0.000 2.824 625 T HA 0.650 5.000 4.350 0.000 0.000 0.280 625 T C -0.703 173.875 174.700 -0.203 0.000 0.995 625 T CA -0.181 61.623 62.100 -0.493 0.000 1.009 625 T CB 0.821 69.350 68.868 -0.564 0.000 0.955 625 T HN 0.299 8.539 8.240 -0.000 0.000 0.452 626 Y N 1.772 122.018 120.300 -0.090 0.000 2.346 626 Y HA 0.557 5.107 4.550 -0.000 0.000 0.332 626 Y C 0.705 176.643 175.900 0.064 0.000 0.985 626 Y CA -1.260 56.855 58.100 0.025 0.000 1.112 626 Y CB 1.914 40.394 38.460 0.034 0.000 1.170 626 Y HN 0.687 8.967 8.280 -0.000 0.000 0.447 627 T N -1.419 113.340 114.554 0.340 0.000 2.841 627 T HA 0.774 5.124 4.350 0.000 0.000 0.296 627 T C 0.251 175.113 174.700 0.271 0.000 1.166 627 T CA -0.631 61.671 62.100 0.335 0.000 1.007 627 T CB 1.850 70.980 68.868 0.436 0.000 1.253 627 T HN 1.107 9.347 8.240 -0.000 0.000 0.511 628 G N 0.008 108.918 108.800 0.185 0.000 2.338 628 G HA2 0.169 4.129 3.960 0.000 0.000 0.115 628 G HA3 0.169 4.129 3.960 0.000 0.000 0.115 628 G C 0.205 175.117 174.900 0.020 0.000 1.053 628 G CA -0.019 45.069 45.100 -0.020 0.000 0.733 628 G HN 1.683 9.973 8.290 -0.000 0.000 0.482 629 S N -1.141 114.601 115.700 0.070 0.000 3.628 629 S HA -0.192 4.278 4.470 0.000 0.000 0.373 629 S C 0.777 175.416 174.600 0.066 0.000 0.968 629 S CA 1.169 59.407 58.200 0.063 0.000 1.215 629 S CB -1.235 61.993 63.200 0.046 0.000 0.912 629 S HN 0.968 9.278 8.310 -0.000 0.000 0.495 630 L N 1.112 122.381 121.223 0.077 0.000 2.326 630 L HA 0.554 4.894 4.340 0.000 0.000 0.278 630 L C 1.350 178.271 176.870 0.085 0.000 1.092 630 L CA -0.376 54.512 54.840 0.080 0.000 0.810 630 L CB 0.525 42.633 42.059 0.082 0.000 1.153 630 L HN 0.405 8.635 8.230 -0.000 0.000 0.439 631 G N 0.948 109.802 108.800 0.091 0.000 2.599 631 G HA2 0.082 4.042 3.960 0.000 0.000 0.264 631 G HA3 0.082 4.042 3.960 0.000 0.000 0.264 631 G C 0.643 175.577 174.900 0.056 0.000 1.200 631 G CA -0.272 44.874 45.100 0.077 0.000 0.896 631 G HN 0.841 9.131 8.290 -0.000 0.000 0.536 632 E N -0.627 119.598 120.200 0.040 0.000 2.085 632 E HA -0.169 4.181 4.350 0.000 0.000 0.194 632 E C 2.424 179.038 176.600 0.023 0.000 0.994 632 E CA 1.531 57.952 56.400 0.034 0.000 0.801 632 E CB -0.169 29.545 29.700 0.023 0.000 0.743 632 E HN 0.187 8.547 8.360 -0.000 0.000 0.453 633 V N 0.762 120.681 119.914 0.008 0.000 2.427 633 V HA -0.240 3.880 4.120 0.000 0.000 0.248 633 V C 2.464 178.559 176.094 0.001 0.000 1.051 633 V CA 2.044 64.342 62.300 -0.004 0.000 1.048 633 V CB -0.475 31.333 31.823 -0.025 0.000 0.666 633 V HN 0.447 8.637 8.190 -0.000 0.000 0.456 634 M N -0.680 118.930 119.600 0.016 0.000 2.254 634 M HA -0.196 4.284 4.480 0.000 0.000 0.265 634 M C 2.285 178.573 176.300 -0.020 0.000 1.066 634 M CA 1.649 56.956 55.300 0.011 0.000 1.123 634 M CB -0.072 32.552 32.600 0.040 0.000 1.388 634 M HN 0.335 8.625 8.290 -0.000 0.000 0.425 635 Q N 0.017 119.819 119.800 0.004 0.000 2.084 635 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 635 Q C 1.724 177.702 176.000 -0.037 0.000 0.978 635 Q CA 1.761 57.564 55.803 0.000 0.000 0.844 635 Q CB -0.149 28.647 28.738 0.097 0.000 0.898 635 Q HN 0.637 8.907 8.270 -0.000 0.000 0.426 636 E N 0.421 120.619 120.200 -0.004 0.000 2.208 636 E HA -0.129 4.222 4.350 0.000 0.000 0.193 636 E C 2.131 178.710 176.600 -0.034 0.000 0.988 636 E CA 1.172 57.570 56.400 -0.003 0.000 0.828 636 E CB -0.011 29.694 29.700 0.008 0.000 0.763 636 E HN 0.304 8.664 8.360 -0.000 0.000 0.478 637 S N 0.754 116.426 115.700 -0.046 0.000 2.447 637 S HA -0.081 4.389 4.470 0.000 0.000 0.233 637 S C 1.978 176.526 174.600 -0.088 0.000 1.006 637 S CA 0.483 58.654 58.200 -0.048 0.000 0.957 637 S CB -0.312 62.868 63.200 -0.033 0.000 0.773 637 S HN 0.168 8.478 8.310 -0.000 0.000 0.507 638 I N 1.419 121.887 120.570 -0.170 0.000 2.333 638 I HA -0.131 4.039 4.170 0.000 0.000 0.246 638 I C 2.934 178.912 176.117 -0.232 0.000 1.106 638 I CA 1.098 62.224 61.300 -0.289 0.000 1.411 638 I CB -0.370 37.258 38.000 -0.620 0.000 1.082 638 I HN 0.344 8.554 8.210 -0.000 0.000 0.420 639 Q N 0.772 120.476 119.800 -0.160 0.000 2.084 639 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 639 Q C 2.491 178.495 176.000 0.006 0.000 0.978 639 Q CA 1.676 57.475 55.803 -0.007 0.000 0.844 639 Q CB -0.282 28.493 28.738 0.062 0.000 0.898 639 Q HN 0.568 8.838 8.270 -0.000 0.000 0.426 640 A N 1.367 124.179 122.820 -0.013 0.000 1.858 640 A HA -0.168 4.153 4.320 0.000 0.000 0.216 640 A C 2.347 179.932 177.584 0.003 0.000 1.190 640 A CA 1.738 53.774 52.037 -0.002 0.000 0.617 640 A CB -0.970 18.025 19.000 -0.008 0.000 0.827 640 A HN 0.402 8.552 8.150 -0.000 0.000 0.443 641 A N -0.584 122.229 122.820 -0.013 0.000 1.883 641 A HA -0.084 4.236 4.320 0.000 0.000 0.217 641 A C 2.158 179.757 177.584 0.025 0.000 1.186 641 A CA 1.854 53.889 52.037 -0.003 0.000 0.624 641 A CB -0.724 18.262 19.000 -0.023 0.000 0.822 641 A HN 0.740 8.890 8.150 -0.000 0.000 0.444 642 L N -0.307 120.938 121.223 0.037 0.000 2.042 642 L HA -0.143 4.197 4.340 0.000 0.000 0.210 642 L C 2.472 179.417 176.870 0.126 0.000 1.076 642 L CA 2.821 57.724 54.840 0.105 0.000 0.749 642 L CB -1.101 41.046 42.059 0.146 0.000 0.893 642 L HN 0.370 8.600 8.230 -0.000 0.000 0.432 643 T N -1.158 113.445 114.554 0.081 0.000 2.746 643 T HA -0.170 4.180 4.350 0.000 0.000 0.267 643 T C 1.975 176.712 174.700 0.061 0.000 1.039 643 T CA 1.593 63.729 62.100 0.062 0.000 1.142 643 T CB -0.315 68.572 68.868 0.031 0.000 0.866 643 T HN 0.210 8.450 8.240 -0.000 0.000 0.444 644 V N 1.269 121.212 119.914 0.049 0.000 2.282 644 V HA -0.180 3.940 4.120 0.000 0.000 0.249 644 V C 2.631 178.762 176.094 0.061 0.000 1.057 644 V CA 1.575 63.900 62.300 0.041 0.000 1.032 644 V CB -0.720 31.119 31.823 0.026 0.000 0.645 644 V HN 0.335 8.525 8.190 -0.000 0.000 0.447 645 V N -0.329 119.634 119.914 0.082 0.000 2.407 645 V HA -0.252 3.868 4.120 0.000 0.000 0.248 645 V C 2.538 178.750 176.094 0.197 0.000 1.055 645 V CA 2.045 64.404 62.300 0.097 0.000 1.049 645 V CB -0.829 31.029 31.823 0.059 0.000 0.662 645 V HN 0.472 8.662 8.190 -0.000 0.000 0.455 646 R N 0.461 121.116 120.500 0.259 0.000 2.073 646 R HA -0.110 4.231 4.340 0.000 0.000 0.234 646 R C 2.399 178.776 176.300 0.129 0.000 1.134 646 R CA 1.551 57.807 56.100 0.260 0.000 0.952 646 R CB -0.655 29.706 30.300 0.101 0.000 0.850 646 R HN 0.515 8.785 8.270 -0.000 0.000 0.433 647 A N 0.977 123.841 122.820 0.074 0.000 2.121 647 A HA -0.110 4.210 4.320 0.000 0.000 0.218 647 A C 1.422 179.036 177.584 0.049 0.000 1.154 647 A CA 1.090 53.150 52.037 0.039 0.000 0.679 647 A CB -0.093 18.921 19.000 0.022 0.000 0.795 647 A HN 0.246 8.396 8.150 -0.000 0.000 0.458 648 R N -1.397 119.145 120.500 0.069 0.000 2.629 648 R HA 0.386 4.726 4.340 0.000 0.000 0.386 648 R C 1.537 177.882 176.300 0.076 0.000 1.071 648 R CA 0.468 56.602 56.100 0.057 0.000 1.104 648 R CB 0.169 30.491 30.300 0.038 0.000 1.370 648 R HN 0.334 8.604 8.270 -0.000 0.000 0.574 649 A N 1.410 124.308 122.820 0.130 0.000 1.940 649 A HA -0.245 4.075 4.320 0.000 0.000 0.219 649 A C 2.023 179.673 177.584 0.109 0.000 1.176 649 A CA 1.709 53.844 52.037 0.164 0.000 0.631 649 A CB -0.135 19.076 19.000 0.352 0.000 0.814 649 A HN 0.233 8.383 8.150 -0.000 0.000 0.446 650 E N 0.259 120.514 120.200 0.092 0.000 2.031 650 E HA -0.154 4.196 4.350 0.000 0.000 0.193 650 E C 1.892 178.519 176.600 0.045 0.000 0.994 650 E CA 1.807 58.246 56.400 0.065 0.000 0.800 650 E CB -0.191 29.540 29.700 0.052 0.000 0.752 650 E HN 0.622 8.982 8.360 -0.000 0.000 0.447 651 K N -0.383 120.039 120.400 0.037 0.000 2.365 651 K HA 0.025 4.345 4.320 0.000 0.000 0.199 651 K C 1.057 177.669 176.600 0.019 0.000 1.045 651 K CA 0.473 56.775 56.287 0.024 0.000 0.962 651 K CB 0.097 32.608 32.500 0.020 0.000 0.759 651 K HN 0.197 8.447 8.250 -0.000 0.000 0.469 652 L N 0.325 121.561 121.223 0.022 0.000 2.791 652 L HA 0.189 4.529 4.340 0.000 0.000 0.239 652 L C 0.710 177.581 176.870 0.002 0.000 1.203 652 L CA -0.250 54.594 54.840 0.007 0.000 1.002 652 L CB 0.094 42.153 42.059 -0.001 0.000 1.295 652 L HN 0.286 8.516 8.230 -0.000 0.000 0.504 653 G N 1.233 110.041 108.800 0.014 0.000 2.296 653 G HA2 -0.306 3.654 3.960 0.000 0.000 0.282 653 G HA3 -0.306 3.654 3.960 0.000 0.000 0.282 653 G C 0.188 175.096 174.900 0.013 0.000 1.014 653 G CA 0.358 45.466 45.100 0.013 0.000 0.812 653 G HN 0.409 8.699 8.290 -0.000 0.000 0.508 654 I N -0.137 120.448 120.570 0.025 0.000 2.377 654 I HA 0.183 4.353 4.170 0.000 0.000 0.293 654 I C 0.522 176.711 176.117 0.120 0.000 0.987 654 I CA -1.139 60.178 61.300 0.027 0.000 1.185 654 I CB 1.518 39.485 38.000 -0.056 0.000 1.341 654 I HN 0.099 8.309 8.210 -0.000 0.000 0.455 655 N N 8.872 127.654 118.700 0.137 0.000 2.411 655 N HA 0.000 4.741 4.740 0.000 0.000 0.282 655 N C -1.725 173.971 175.510 0.310 0.000 1.322 655 N CA -1.007 52.148 53.050 0.175 0.000 0.943 655 N CB 0.489 39.062 38.487 0.144 0.000 1.266 655 N HN 0.317 8.697 8.380 -0.000 0.000 0.486 656 P HA -0.018 4.402 4.420 -0.000 0.000 0.299 656 P C -0.883 176.539 177.300 0.203 0.000 1.515 656 P CA 0.700 63.952 63.100 0.254 0.000 0.770 656 P CB 0.090 31.883 31.700 0.155 0.000 1.614 657 D N -1.184 119.321 120.400 0.175 0.000 2.538 657 D HA 0.029 4.669 4.640 0.000 0.000 0.241 657 D C 1.327 177.535 176.300 -0.153 0.000 1.297 657 D CA -0.127 53.884 54.000 0.018 0.000 0.804 657 D CB -0.300 40.501 40.800 0.002 0.000 1.122 657 D HN 0.227 8.597 8.370 -0.000 0.000 0.519 658 F N 1.578 121.547 119.950 0.032 0.000 2.171 658 F HA -0.201 4.326 4.527 0.000 0.000 0.300 658 F C 2.431 178.214 175.800 -0.029 0.000 1.090 658 F CA 0.559 58.559 58.000 -0.002 0.000 1.293 658 F CB -1.331 37.699 39.000 0.051 0.000 1.013 658 F HN -0.028 8.272 8.300 -0.000 0.000 0.486 659 Y N 1.309 120.974 120.300 -1.059 0.000 2.283 659 Y HA -0.227 4.323 4.550 -0.000 0.000 0.285 659 Y C 2.011 177.777 175.900 -0.224 0.000 1.176 659 Y CA 1.841 59.527 58.100 -0.690 0.000 1.229 659 Y CB -1.170 36.864 38.460 -0.710 0.000 0.975 659 Y HN 0.458 8.738 8.280 -0.000 0.000 0.537 660 E N -0.049 119.590 120.200 -0.936 0.000 2.526 660 E HA 0.105 4.456 4.350 0.000 0.000 0.208 660 E C 1.042 177.465 176.600 -0.295 0.000 0.997 660 E CA -0.048 55.983 56.400 -0.615 0.000 0.961 660 E CB 0.303 29.472 29.700 -0.885 0.000 1.030 660 E HN 0.599 8.959 8.360 -0.000 0.000 0.483 661 K N -0.091 120.185 120.400 -0.208 0.000 2.373 661 K HA 0.246 4.566 4.320 0.000 0.000 0.200 661 K C 0.168 176.768 176.600 -0.000 0.000 1.054 661 K CA -0.050 56.188 56.287 -0.083 0.000 1.065 661 K CB 1.035 33.498 32.500 -0.061 0.000 0.886 661 K HN -0.141 8.109 8.250 -0.000 0.000 0.546 662 R N 0.906 121.436 120.500 0.050 0.000 2.807 662 R HA 0.318 4.658 4.340 0.000 0.000 0.276 662 R C -1.225 175.137 176.300 0.103 0.000 0.979 662 R CA -0.853 55.306 56.100 0.100 0.000 0.928 662 R CB 1.531 31.936 30.300 0.174 0.000 1.191 662 R HN -0.099 8.171 8.270 -0.000 0.000 0.471 663 D N 2.184 122.636 120.400 0.086 0.000 2.256 663 D HA 0.415 5.056 4.640 0.000 0.000 0.240 663 D C -0.231 176.137 176.300 0.114 0.000 1.062 663 D CA -0.258 53.791 54.000 0.081 0.000 0.832 663 D CB 1.758 42.589 40.800 0.052 0.000 1.135 663 D HN 0.299 8.669 8.370 -0.000 0.000 0.484 664 I N 2.159 122.810 120.570 0.135 0.000 2.404 664 I HA 0.158 4.328 4.170 0.000 0.000 0.293 664 I C -0.348 175.890 176.117 0.202 0.000 0.992 664 I CA -0.701 60.705 61.300 0.177 0.000 1.149 664 I CB 1.718 39.847 38.000 0.216 0.000 1.315 664 I HN 0.217 8.427 8.210 -0.000 0.000 0.446 665 H N 6.394 125.538 119.070 0.122 0.000 2.800 665 H HA 0.465 5.021 4.556 0.000 0.000 0.322 665 H C -1.606 173.823 175.328 0.168 0.000 0.979 665 H CA -0.574 55.554 56.048 0.133 0.000 1.277 665 H CB 1.653 31.461 29.762 0.075 0.000 1.484 665 H HN 0.222 8.502 8.280 -0.000 0.000 0.512 666 V N 6.639 126.886 119.914 0.555 0.000 2.347 666 V HA 0.188 4.308 4.120 0.000 0.000 0.280 666 V C -0.230 176.137 176.094 0.455 0.000 1.021 666 V CA -0.551 61.975 62.300 0.378 0.000 0.847 666 V CB 0.880 32.836 31.823 0.222 0.000 0.990 666 V HN 0.759 8.949 8.190 -0.000 0.000 0.444 667 H N 3.553 122.740 119.070 0.196 0.000 2.637 667 H HA 0.726 5.282 4.556 0.000 0.000 0.363 667 H C -1.148 174.221 175.328 0.068 0.000 1.131 667 H CA -0.605 55.529 56.048 0.142 0.000 1.183 667 H CB 2.157 31.938 29.762 0.032 0.000 1.637 667 H HN 0.354 8.634 8.280 -0.000 0.000 0.531 668 V N 6.604 126.211 119.914 -0.512 0.000 2.305 668 V HA 0.303 4.423 4.120 0.000 0.000 0.275 668 V C -2.312 173.489 176.094 -0.488 0.000 1.020 668 V CA -1.801 60.290 62.300 -0.349 0.000 0.811 668 V CB 0.565 32.291 31.823 -0.162 0.000 1.031 668 V HN 0.788 8.978 8.190 -0.000 0.000 0.439 669 P HA 0.013 4.433 4.420 -0.000 0.000 0.269 669 P C 0.278 177.521 177.300 -0.095 0.000 1.200 669 P CA 0.573 63.593 63.100 -0.134 0.000 0.779 669 P CB 0.246 31.946 31.700 -0.001 0.000 0.841 670 E N -0.427 119.755 120.200 -0.031 0.000 2.312 670 E HA -0.123 4.227 4.350 0.000 0.000 0.283 670 E C 1.189 177.776 176.600 -0.021 0.000 1.066 670 E CA 0.151 56.536 56.400 -0.026 0.000 0.817 670 E CB -1.711 27.959 29.700 -0.050 0.000 1.304 670 E HN 0.690 9.050 8.360 -0.000 0.000 0.407 671 G N 0.959 109.775 108.800 0.026 0.000 2.606 671 G HA2 -0.341 3.619 3.960 0.000 0.000 0.221 671 G HA3 -0.341 3.619 3.960 0.000 0.000 0.221 671 G C 1.398 176.327 174.900 0.049 0.000 1.152 671 G CA 1.324 46.468 45.100 0.073 0.000 0.765 671 G HN 0.567 8.857 8.290 -0.000 0.000 0.595 672 A N -0.709 122.130 122.820 0.032 0.000 2.123 672 A HA 0.337 4.658 4.320 0.000 0.000 0.214 672 A C 1.393 178.982 177.584 0.008 0.000 1.152 672 A CA 1.016 53.067 52.037 0.025 0.000 0.728 672 A CB -0.130 18.882 19.000 0.020 0.000 0.814 672 A HN 0.239 8.389 8.150 -0.000 0.000 0.464 673 T N 3.420 117.967 114.554 -0.011 0.000 2.769 673 T HA 0.345 4.695 4.350 0.000 0.000 0.293 673 T C -2.650 172.032 174.700 -0.029 0.000 0.931 673 T CA -0.613 61.465 62.100 -0.036 0.000 1.139 673 T CB 0.698 69.529 68.868 -0.062 0.000 0.881 673 T HN 0.116 8.356 8.240 -0.000 0.000 0.532 674 P HA 0.227 4.647 4.420 -0.000 0.000 0.268 674 P C -0.444 176.865 177.300 0.016 0.000 1.204 674 P CA -0.197 62.921 63.100 0.030 0.000 0.768 674 P CB 0.524 32.265 31.700 0.068 0.000 0.842 675 K N 2.165 122.619 120.400 0.090 0.000 2.469 675 K HA 0.696 5.017 4.320 0.000 0.000 0.254 675 K C -0.991 175.761 176.600 0.253 0.000 0.939 675 K CA -0.762 55.603 56.287 0.131 0.000 0.812 675 K CB 2.502 35.030 32.500 0.046 0.000 1.301 675 K HN 0.358 8.608 8.250 -0.000 0.000 0.433 676 D N -0.549 120.091 120.400 0.399 0.000 2.792 676 D HA 0.529 5.169 4.640 0.000 0.000 0.335 676 D C -0.833 175.583 176.300 0.195 0.000 1.353 676 D CA 0.776 54.926 54.000 0.251 0.000 0.839 676 D CB 2.036 42.939 40.800 0.171 0.000 1.396 676 D HN 0.670 9.040 8.370 -0.000 0.000 0.479 677 G N 0.226 109.050 108.800 0.041 0.000 2.707 677 G HA2 -0.063 3.897 3.960 0.000 0.000 0.686 677 G HA3 -0.063 3.897 3.960 0.000 0.000 0.686 677 G C -2.420 172.493 174.900 0.022 0.000 1.315 677 G CA -0.090 45.009 45.100 -0.002 0.000 0.832 677 G HN 0.399 8.689 8.290 -0.000 0.000 0.573 678 P HA 0.269 4.689 4.420 -0.000 0.000 0.267 678 P C 1.505 178.816 177.300 0.019 0.000 1.289 678 P CA 1.091 64.195 63.100 0.008 0.000 0.866 678 P CB 0.522 32.219 31.700 -0.003 0.000 1.309 679 A N 0.920 123.761 122.820 0.036 0.000 2.186 679 A HA 0.055 4.375 4.320 0.000 0.000 0.219 679 A C 2.060 179.665 177.584 0.035 0.000 1.159 679 A CA 1.582 53.644 52.037 0.041 0.000 0.680 679 A CB -1.053 17.985 19.000 0.063 0.000 0.787 679 A HN 0.259 8.409 8.150 -0.000 0.000 0.467 680 A N -1.026 121.812 122.820 0.030 0.000 2.345 680 A HA 0.450 4.770 4.320 0.000 0.000 0.225 680 A C 1.960 179.545 177.584 0.002 0.000 1.243 680 A CA 0.871 52.918 52.037 0.017 0.000 0.875 680 A CB -0.726 18.284 19.000 0.015 0.000 0.929 680 A HN 0.568 8.718 8.150 -0.000 0.000 0.502 681 G N 1.611 110.412 108.800 0.002 0.000 2.440 681 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 681 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 681 G C 1.462 176.359 174.900 -0.004 0.000 1.154 681 G CA 1.428 46.524 45.100 -0.007 0.000 0.767 681 G HN 0.843 9.133 8.290 -0.000 0.000 0.552 682 I N -1.584 118.988 120.570 0.004 0.000 2.761 682 I HA 0.287 4.457 4.170 0.000 0.000 0.261 682 I C 2.678 178.796 176.117 0.001 0.000 1.198 682 I CA 1.098 62.401 61.300 0.005 0.000 1.482 682 I CB -0.194 37.814 38.000 0.013 0.000 1.100 682 I HN 0.118 8.328 8.210 -0.000 0.000 0.445 683 A N 1.708 124.528 122.820 0.001 0.000 1.929 683 A HA -0.039 4.281 4.320 0.000 0.000 0.216 683 A C 2.349 179.929 177.584 -0.007 0.000 1.176 683 A CA 1.365 53.401 52.037 -0.002 0.000 0.628 683 A CB -0.436 18.564 19.000 0.001 0.000 0.816 683 A HN 0.382 8.532 8.150 -0.000 0.000 0.444 684 M N -0.795 118.797 119.600 -0.013 0.000 2.117 684 M HA -0.143 4.337 4.480 0.000 0.000 0.262 684 M C 2.475 178.766 176.300 -0.016 0.000 1.065 684 M CA 1.235 56.522 55.300 -0.021 0.000 1.114 684 M CB -1.869 30.704 32.600 -0.045 0.000 1.361 684 M HN 0.624 8.914 8.290 -0.000 0.000 0.408 685 C N 0.704 119.996 119.300 -0.013 0.000 2.432 685 C HA -0.150 4.310 4.460 0.000 0.000 0.277 685 C C 2.876 177.858 174.990 -0.012 0.000 1.249 685 C CA 1.765 60.778 59.018 -0.008 0.000 1.725 685 C CB -0.962 26.776 27.740 -0.003 0.000 2.028 685 C HN 0.577 8.807 8.230 -0.000 0.000 0.477 686 T N 0.945 115.493 114.554 -0.011 0.000 2.708 686 T HA -0.119 4.231 4.350 0.000 0.000 0.266 686 T C 2.106 176.796 174.700 -0.016 0.000 1.037 686 T CA 1.776 63.868 62.100 -0.014 0.000 1.146 686 T CB -0.648 68.214 68.868 -0.011 0.000 0.865 686 T HN 0.690 8.930 8.240 -0.000 0.000 0.435 687 A N 1.324 124.138 122.820 -0.011 0.000 1.883 687 A HA -0.056 4.264 4.320 0.000 0.000 0.217 687 A C 2.344 179.920 177.584 -0.012 0.000 1.186 687 A CA 1.402 53.434 52.037 -0.008 0.000 0.624 687 A CB -0.947 18.053 19.000 0.001 0.000 0.822 687 A HN 0.480 8.630 8.150 -0.000 0.000 0.444 688 L N -0.703 120.511 121.223 -0.015 0.000 2.017 688 L HA -0.158 4.182 4.340 0.000 0.000 0.208 688 L C 2.558 179.385 176.870 -0.070 0.000 1.073 688 L CA 1.151 55.974 54.840 -0.029 0.000 0.745 688 L CB -0.632 41.417 42.059 -0.016 0.000 0.894 688 L HN 0.253 8.483 8.230 -0.000 0.000 0.432 689 V N -0.849 119.028 119.914 -0.062 0.000 2.332 689 V HA -0.320 3.800 4.120 0.000 0.000 0.248 689 V C 2.728 178.781 176.094 -0.070 0.000 1.055 689 V CA 2.085 64.339 62.300 -0.077 0.000 1.038 689 V CB -0.498 31.295 31.823 -0.049 0.000 0.651 689 V HN 0.498 8.688 8.190 -0.000 0.000 0.450 690 S N -1.492 114.180 115.700 -0.047 0.000 2.382 690 S HA -0.269 4.201 4.470 0.000 0.000 0.228 690 S C 2.067 176.643 174.600 -0.041 0.000 1.027 690 S CA 1.989 60.166 58.200 -0.037 0.000 0.991 690 S CB -0.628 62.557 63.200 -0.025 0.000 0.823 690 S HN 0.674 8.984 8.310 -0.000 0.000 0.469 691 c N 0.691 119.264 118.600 -0.044 0.000 2.446 691 c HA 0.138 4.708 4.570 0.000 0.000 0.277 691 c C 2.318 176.370 174.090 -0.064 0.000 1.275 691 c CA 0.619 56.924 56.329 -0.040 0.000 1.727 691 c CB -1.433 41.062 42.510 -0.025 0.000 2.010 691 c HN 0.560 8.790 8.230 -0.000 0.000 0.486 692 L N 1.008 122.162 121.223 -0.115 0.000 2.395 692 L HA 0.056 4.397 4.340 0.000 0.000 0.218 692 L C 2.558 179.363 176.870 -0.109 0.000 1.130 692 L CA 2.231 56.973 54.840 -0.163 0.000 0.826 692 L CB -0.922 40.929 42.059 -0.346 0.000 0.941 692 L HN 0.636 8.866 8.230 -0.000 0.000 0.451 693 T N -6.111 108.395 114.554 -0.080 0.000 3.010 693 T HA 0.347 4.697 4.350 0.000 0.000 0.257 693 T C 1.488 176.168 174.700 -0.033 0.000 1.020 693 T CA 0.443 62.511 62.100 -0.052 0.000 0.938 693 T CB 0.527 69.366 68.868 -0.048 0.000 1.049 693 T HN 0.272 8.512 8.240 -0.000 0.000 0.522 694 G N 2.065 110.846 108.800 -0.032 0.000 2.184 694 G HA2 -0.322 3.638 3.960 0.000 0.000 0.264 694 G HA3 -0.322 3.638 3.960 0.000 0.000 0.264 694 G C 0.002 174.891 174.900 -0.019 0.000 0.975 694 G CA 0.201 45.288 45.100 -0.022 0.000 0.642 694 G HN 0.812 9.102 8.290 -0.000 0.000 0.536 695 N N 2.099 120.786 118.700 -0.023 0.000 2.402 695 N HA 0.362 5.102 4.740 0.000 0.000 0.259 695 N C -1.728 173.770 175.510 -0.019 0.000 1.167 695 N CA -1.221 51.817 53.050 -0.020 0.000 0.949 695 N CB 1.115 39.589 38.487 -0.022 0.000 1.212 695 N HN 0.206 8.586 8.380 -0.000 0.000 0.493 696 P HA -0.053 4.367 4.420 -0.000 0.000 0.270 696 P C -0.188 177.103 177.300 -0.015 0.000 1.223 696 P CA -0.233 62.858 63.100 -0.014 0.000 0.785 696 P CB 0.906 32.599 31.700 -0.012 0.000 0.923 697 V N 0.270 120.175 119.914 -0.014 0.000 2.743 697 V HA 0.469 4.589 4.120 0.000 0.000 0.301 697 V C 0.479 176.564 176.094 -0.015 0.000 1.057 697 V CA -1.019 61.272 62.300 -0.015 0.000 1.006 697 V CB 0.656 32.470 31.823 -0.014 0.000 1.024 697 V HN 0.371 8.561 8.190 -0.000 0.000 0.473 698 R N 2.565 123.055 120.500 -0.017 0.000 2.643 698 R HA 0.584 4.924 4.340 0.000 0.000 0.270 698 R C 0.401 176.694 176.300 -0.013 0.000 1.061 698 R CA 0.295 56.385 56.100 -0.016 0.000 1.107 698 R CB 0.689 30.976 30.300 -0.022 0.000 0.999 698 R HN 1.077 9.347 8.270 -0.000 0.000 0.460 699 A N 1.769 124.583 122.820 -0.011 0.000 2.322 699 A HA 0.183 4.503 4.320 0.000 0.000 0.269 699 A C -0.025 177.554 177.584 -0.007 0.000 1.094 699 A CA -0.336 51.695 52.037 -0.009 0.000 0.807 699 A CB 0.326 19.320 19.000 -0.009 0.000 1.047 699 A HN 0.914 9.064 8.150 -0.000 0.000 0.487 700 D N -1.264 119.132 120.400 -0.006 0.000 2.981 700 D HA -0.140 4.500 4.640 0.000 0.000 0.223 700 D C -0.405 175.896 176.300 0.002 0.000 1.151 700 D CA 1.366 55.364 54.000 -0.004 0.000 0.827 700 D CB -1.485 39.312 40.800 -0.005 0.000 1.101 700 D HN 0.571 8.941 8.370 -0.000 0.000 0.426 701 V N -0.526 119.388 119.914 0.000 0.000 2.604 701 V HA 0.823 4.943 4.120 0.000 0.000 0.305 701 V C -0.806 175.292 176.094 0.006 0.000 1.043 701 V CA 0.172 62.474 62.300 0.003 0.000 0.888 701 V CB 1.939 33.757 31.823 -0.009 0.000 0.995 701 V HN 0.299 8.489 8.190 -0.000 0.000 0.429 702 A N 7.528 130.357 122.820 0.014 0.000 2.539 702 A HA 0.991 5.311 4.320 0.000 0.000 0.296 702 A C -0.845 176.752 177.584 0.021 0.000 1.073 702 A CA -0.663 51.383 52.037 0.015 0.000 0.700 702 A CB 2.103 21.114 19.000 0.018 0.000 1.296 702 A HN 1.403 9.553 8.150 -0.000 0.000 0.405 703 M N 0.073 119.684 119.600 0.019 0.000 2.531 703 M HA 0.830 5.310 4.480 0.000 0.000 0.286 703 M C -0.894 175.421 176.300 0.025 0.000 1.232 703 M CA -0.380 54.935 55.300 0.024 0.000 0.877 703 M CB 2.166 34.777 32.600 0.018 0.000 1.726 703 M HN 0.648 8.938 8.290 -0.000 0.000 0.463 704 T N 0.508 115.081 114.554 0.030 0.000 2.912 704 T HA 0.895 5.245 4.350 0.000 0.000 0.299 704 T C -0.803 173.917 174.700 0.033 0.000 1.052 704 T CA 0.314 62.433 62.100 0.032 0.000 0.996 704 T CB 1.814 70.702 68.868 0.034 0.000 1.070 704 T HN 1.459 9.699 8.240 -0.000 0.000 0.465 705 G N 2.760 111.579 108.800 0.032 0.000 2.282 705 G HA2 0.266 4.227 3.960 0.000 0.000 0.274 705 G HA3 0.266 4.227 3.960 0.000 0.000 0.274 705 G C -1.292 173.623 174.900 0.025 0.000 1.718 705 G CA -0.829 44.290 45.100 0.032 0.000 0.927 705 G HN 0.850 9.140 8.290 -0.000 0.000 0.733 706 E N 0.981 121.195 120.200 0.023 0.000 2.354 706 E HA 0.537 4.887 4.350 0.000 0.000 0.269 706 E C -0.286 176.323 176.600 0.015 0.000 1.036 706 E CA -0.590 55.820 56.400 0.015 0.000 0.876 706 E CB 1.156 30.863 29.700 0.012 0.000 1.009 706 E HN 0.501 8.861 8.360 -0.000 0.000 0.416 707 I N 3.146 123.721 120.570 0.008 0.000 2.530 707 I HA 0.329 4.499 4.170 0.000 0.000 0.297 707 I C -0.355 175.765 176.117 0.005 0.000 1.011 707 I CA -0.370 60.934 61.300 0.008 0.000 1.107 707 I CB 1.755 39.758 38.000 0.005 0.000 1.285 707 I HN 0.667 8.877 8.210 -0.000 0.000 0.436 708 T N 3.958 118.516 114.554 0.007 0.000 2.950 708 T HA 0.419 4.769 4.350 0.000 0.000 0.288 708 T C 1.121 175.824 174.700 0.005 0.000 1.035 708 T CA -0.881 61.222 62.100 0.005 0.000 1.028 708 T CB 1.576 70.447 68.868 0.005 0.000 1.109 708 T HN 0.553 8.793 8.240 -0.000 0.000 0.514 709 L N 0.345 121.570 121.223 0.004 0.000 2.265 709 L HA -0.023 4.317 4.340 0.000 0.000 0.215 709 L C 2.853 179.726 176.870 0.005 0.000 1.117 709 L CA 1.294 56.137 54.840 0.006 0.000 0.782 709 L CB -0.603 41.459 42.059 0.004 0.000 0.914 709 L HN 0.764 8.994 8.230 -0.000 0.000 0.441 710 R N 0.768 121.270 120.500 0.003 0.000 2.323 710 R HA 0.065 4.405 4.340 0.000 0.000 0.198 710 R C 1.262 177.563 176.300 0.002 0.000 0.988 710 R CA 0.778 56.878 56.100 0.001 0.000 1.041 710 R CB -0.174 30.126 30.300 -0.001 0.000 0.926 710 R HN 0.230 8.500 8.270 -0.000 0.000 0.476 711 G N 0.585 109.387 108.800 0.005 0.000 2.159 711 G HA2 -0.316 3.644 3.960 0.000 0.000 0.256 711 G HA3 -0.316 3.644 3.960 0.000 0.000 0.256 711 G C -0.235 174.668 174.900 0.005 0.000 0.977 711 G CA 0.283 45.386 45.100 0.005 0.000 0.652 711 G HN 0.456 8.746 8.290 -0.000 0.000 0.531 712 Q N -0.168 119.635 119.800 0.005 0.000 2.293 712 Q HA 0.576 4.916 4.340 0.000 0.000 0.251 712 Q C 0.285 176.295 176.000 0.017 0.000 0.930 712 Q CA -0.197 55.610 55.803 0.007 0.000 0.893 712 Q CB 1.557 30.298 28.738 0.005 0.000 1.215 712 Q HN 0.287 8.557 8.270 -0.000 0.000 0.425 713 V N 5.383 125.314 119.914 0.027 0.000 2.350 713 V HA 0.298 4.419 4.120 0.000 0.000 0.276 713 V C -0.076 176.048 176.094 0.050 0.000 1.028 713 V CA -0.506 61.817 62.300 0.039 0.000 0.860 713 V CB 0.519 32.373 31.823 0.052 0.000 0.990 713 V HN 0.664 8.854 8.190 -0.000 0.000 0.453 714 L N 7.683 128.929 121.223 0.039 0.000 2.379 714 L HA 0.486 4.826 4.340 0.000 0.000 0.269 714 L C -1.916 174.978 176.870 0.041 0.000 1.084 714 L CA -1.847 53.016 54.840 0.039 0.000 0.802 714 L CB 1.795 43.869 42.059 0.024 0.000 1.175 714 L HN 0.393 8.623 8.230 -0.000 0.000 0.448 715 P HA 0.137 4.557 4.420 -0.000 0.000 0.269 715 P C -1.007 176.306 177.300 0.022 0.000 1.215 715 P CA -0.103 63.017 63.100 0.032 0.000 0.780 715 P CB 0.895 32.613 31.700 0.029 0.000 0.898 716 I N -1.061 119.521 120.570 0.020 0.000 3.170 716 I HA 0.841 5.011 4.170 0.000 0.000 0.312 716 I C 0.359 176.486 176.117 0.018 0.000 1.085 716 I CA -1.268 60.044 61.300 0.020 0.000 0.999 716 I CB 0.842 38.860 38.000 0.030 0.000 1.233 716 I HN 0.369 8.579 8.210 -0.000 0.000 0.467 717 G N -0.483 108.330 108.800 0.021 0.000 2.552 717 G HA2 0.503 4.463 3.960 0.000 0.000 0.318 717 G HA3 0.503 4.463 3.960 0.000 0.000 0.318 717 G C 0.455 175.383 174.900 0.047 0.000 1.240 717 G CA -0.765 44.348 45.100 0.023 0.000 1.002 717 G HN 1.711 10.001 8.290 -0.000 0.000 0.493 718 G N -1.165 107.664 108.800 0.049 0.000 2.422 718 G HA2 -0.203 3.757 3.960 0.000 0.000 0.301 718 G HA3 -0.203 3.757 3.960 0.000 0.000 0.301 718 G C 1.043 175.972 174.900 0.047 0.000 0.981 718 G CA 0.812 45.950 45.100 0.063 0.000 0.994 718 G HN 0.945 9.235 8.290 -0.000 0.000 0.514 719 L N -0.050 121.189 121.223 0.027 0.000 2.042 719 L HA 0.031 4.371 4.340 0.000 0.000 0.210 719 L C 2.733 179.608 176.870 0.009 0.000 1.076 719 L CA 3.008 57.857 54.840 0.016 0.000 0.749 719 L CB -0.311 41.750 42.059 0.003 0.000 0.893 719 L HN 0.439 8.669 8.230 -0.000 0.000 0.432 720 K N -0.617 119.785 120.400 0.004 0.000 2.074 720 K HA -0.256 4.064 4.320 0.000 0.000 0.209 720 K C 1.861 178.458 176.600 -0.005 0.000 1.048 720 K CA 2.089 58.372 56.287 -0.007 0.000 0.926 720 K CB -0.004 32.492 32.500 -0.008 0.000 0.713 720 K HN 0.399 8.649 8.250 -0.000 0.000 0.444 721 E N 0.358 120.563 120.200 0.009 0.000 2.107 721 E HA -0.094 4.256 4.350 0.000 0.000 0.191 721 E C 1.818 178.423 176.600 0.008 0.000 0.982 721 E CA 1.076 57.480 56.400 0.007 0.000 0.809 721 E CB 0.079 29.790 29.700 0.018 0.000 0.756 721 E HN 0.238 8.598 8.360 -0.000 0.000 0.459 722 K N 0.245 120.656 120.400 0.018 0.000 1.991 722 K HA -0.142 4.178 4.320 0.000 0.000 0.212 722 K C 1.889 178.499 176.600 0.018 0.000 1.049 722 K CA 1.204 57.503 56.287 0.020 0.000 0.932 722 K CB -0.269 32.249 32.500 0.030 0.000 0.717 722 K HN 0.019 8.269 8.250 -0.000 0.000 0.441 723 L N 1.053 122.284 121.223 0.013 0.000 2.131 723 L HA -0.166 4.174 4.340 0.000 0.000 0.210 723 L C 2.162 179.043 176.870 0.019 0.000 1.092 723 L CA 1.105 55.955 54.840 0.016 0.000 0.759 723 L CB -0.540 41.518 42.059 -0.002 0.000 0.903 723 L HN 0.228 8.458 8.230 -0.000 0.000 0.435 724 L N -0.395 120.827 121.223 -0.002 0.000 2.093 724 L HA -0.097 4.244 4.340 0.000 0.000 0.208 724 L C 2.475 179.371 176.870 0.044 0.000 1.085 724 L CA 1.981 56.819 54.840 -0.004 0.000 0.755 724 L CB -1.136 40.911 42.059 -0.020 0.000 0.904 724 L HN 0.318 8.548 8.230 -0.000 0.000 0.435 725 A N -1.015 121.822 122.820 0.028 0.000 2.066 725 A HA 0.039 4.360 4.320 0.000 0.000 0.218 725 A C 2.367 179.975 177.584 0.040 0.000 1.157 725 A CA 1.204 53.256 52.037 0.025 0.000 0.670 725 A CB -0.398 18.603 19.000 0.002 0.000 0.804 725 A HN 0.447 8.597 8.150 -0.000 0.000 0.453 726 A N -1.199 121.656 122.820 0.057 0.000 1.930 726 A HA 0.004 4.324 4.320 0.000 0.000 0.215 726 A C 1.937 179.574 177.584 0.087 0.000 1.176 726 A CA 1.634 53.707 52.037 0.060 0.000 0.632 726 A CB -0.683 18.354 19.000 0.062 0.000 0.819 726 A HN 0.613 8.763 8.150 -0.000 0.000 0.445 727 H N -0.175 118.893 119.070 -0.003 0.000 2.256 727 H HA -0.081 4.475 4.556 0.000 0.000 0.299 727 H C 2.219 177.544 175.328 -0.005 0.000 1.071 727 H CA 2.208 58.254 56.048 -0.003 0.000 1.280 727 H CB -0.159 29.601 29.762 -0.004 0.000 1.370 727 H HN 0.394 8.674 8.280 -0.000 0.000 0.490 728 R N -0.201 120.370 120.500 0.118 0.000 2.200 728 R HA -0.082 4.258 4.340 0.000 0.000 0.234 728 R C 2.042 178.343 176.300 0.002 0.000 1.127 728 R CA 1.162 57.286 56.100 0.039 0.000 0.989 728 R CB -0.391 29.937 30.300 0.045 0.000 0.869 728 R HN 0.470 8.740 8.270 -0.000 0.000 0.459 729 G N -1.153 107.651 108.800 0.007 0.000 2.813 729 G HA2 0.072 4.032 3.960 0.000 0.000 0.209 729 G HA3 0.072 4.032 3.960 0.000 0.000 0.209 729 G C 0.814 175.701 174.900 -0.021 0.000 1.150 729 G CA 0.355 45.452 45.100 -0.006 0.000 0.785 729 G HN 0.511 8.801 8.290 -0.000 0.000 0.535 730 G N -0.040 108.734 108.800 -0.044 0.000 2.160 730 G HA2 -0.245 3.715 3.960 0.000 0.000 0.244 730 G HA3 -0.245 3.715 3.960 0.000 0.000 0.244 730 G C 0.242 175.115 174.900 -0.044 0.000 1.022 730 G CA -0.047 45.016 45.100 -0.063 0.000 0.741 730 G HN 0.281 8.571 8.290 -0.000 0.000 0.508 731 I N -0.312 120.243 120.570 -0.025 0.000 2.529 731 I HA 0.292 4.462 4.170 0.000 0.000 0.284 731 I C 1.321 177.437 176.117 -0.001 0.000 1.082 731 I CA -0.004 61.294 61.300 -0.004 0.000 1.406 731 I CB 1.449 39.458 38.000 0.016 0.000 1.405 731 I HN -0.012 8.198 8.210 -0.000 0.000 0.548 732 K N 3.006 123.410 120.400 0.007 0.000 2.121 732 K HA 0.093 4.414 4.320 0.000 0.000 0.203 732 K C 0.380 177.007 176.600 0.046 0.000 1.041 732 K CA 0.957 57.254 56.287 0.017 0.000 0.969 732 K CB -0.035 32.472 32.500 0.012 0.000 0.799 732 K HN 0.575 8.825 8.250 -0.000 0.000 0.456 733 T N 0.887 115.471 114.554 0.050 0.000 2.795 733 T HA 0.536 4.887 4.350 0.000 0.000 0.282 733 T C -0.942 173.805 174.700 0.077 0.000 0.980 733 T CA -0.666 61.486 62.100 0.086 0.000 1.012 733 T CB 1.718 70.623 68.868 0.061 0.000 0.936 733 T HN -0.257 7.983 8.240 -0.000 0.000 0.457 734 V N 4.828 124.808 119.914 0.111 0.000 2.577 734 V HA 0.437 4.557 4.120 0.000 0.000 0.303 734 V C -0.428 175.730 176.094 0.106 0.000 1.042 734 V CA -0.932 61.417 62.300 0.083 0.000 0.872 734 V CB 1.628 33.490 31.823 0.065 0.000 0.998 734 V HN 0.727 8.917 8.190 -0.000 0.000 0.423 735 L N 6.464 127.733 121.223 0.077 0.000 2.289 735 L HA 0.729 5.070 4.340 0.000 0.000 0.285 735 L C -0.267 176.643 176.870 0.067 0.000 1.049 735 L CA -0.448 54.443 54.840 0.086 0.000 0.804 735 L CB 1.285 43.375 42.059 0.053 0.000 1.195 735 L HN 0.680 8.910 8.230 -0.000 0.000 0.428 736 I N 0.273 120.885 120.570 0.070 0.000 2.934 736 I HA 0.641 4.811 4.170 0.000 0.000 0.306 736 I C -2.742 173.410 176.117 0.059 0.000 1.110 736 I CA -2.906 58.422 61.300 0.048 0.000 1.019 736 I CB 2.385 40.397 38.000 0.022 0.000 1.227 736 I HN 0.242 8.452 8.210 -0.000 0.000 0.434 737 P HA 0.030 4.450 4.420 -0.000 0.000 0.265 737 P C 0.133 177.487 177.300 0.090 0.000 1.193 737 P CA 0.173 63.321 63.100 0.079 0.000 0.765 737 P CB 0.220 31.955 31.700 0.057 0.000 0.823 738 F N 3.657 123.617 119.950 0.017 0.000 2.192 738 F HA -0.217 4.310 4.527 0.001 0.000 0.301 738 F C 1.603 177.409 175.800 0.010 0.000 1.079 738 F CA 1.733 59.742 58.000 0.015 0.000 1.303 738 F CB -0.120 38.889 39.000 0.014 0.000 1.024 738 F HN 0.399 8.699 8.300 -0.000 0.000 0.494 739 E N -0.499 119.774 120.200 0.122 0.000 2.511 739 E HA -0.082 4.268 4.350 0.000 0.000 0.196 739 E C 0.819 177.401 176.600 -0.030 0.000 1.066 739 E CA 0.043 56.472 56.400 0.049 0.000 0.871 739 E CB -0.181 29.577 29.700 0.097 0.000 0.863 739 E HN 0.407 8.767 8.360 -0.000 0.000 0.520 740 N N 0.501 119.167 118.700 -0.058 0.000 2.235 740 N HA -0.001 4.739 4.740 0.000 0.000 0.209 740 N C 1.060 176.509 175.510 -0.101 0.000 1.122 740 N CA 0.127 53.143 53.050 -0.056 0.000 0.845 740 N CB 0.470 38.941 38.487 -0.026 0.000 1.004 740 N HN 0.107 8.487 8.380 -0.000 0.000 0.499 741 K N 1.555 121.843 120.400 -0.186 0.000 2.097 741 K HA -0.055 4.265 4.320 0.000 0.000 0.205 741 K C 1.705 178.215 176.600 -0.150 0.000 1.050 741 K CA 0.966 57.114 56.287 -0.231 0.000 0.938 741 K CB 0.246 32.479 32.500 -0.445 0.000 0.718 741 K HN 0.174 8.424 8.250 -0.000 0.000 0.442 742 R N 0.083 120.510 120.500 -0.121 0.000 2.189 742 R HA -0.072 4.268 4.340 0.000 0.000 0.223 742 R C 1.083 177.348 176.300 -0.057 0.000 1.092 742 R CA 1.203 57.257 56.100 -0.077 0.000 0.989 742 R CB -0.244 30.024 30.300 -0.054 0.000 0.876 742 R HN 0.181 8.451 8.270 -0.000 0.000 0.457 743 D N 1.449 121.816 120.400 -0.056 0.000 2.224 743 D HA -0.012 4.628 4.640 0.000 0.000 0.205 743 D C 1.952 178.227 176.300 -0.042 0.000 0.965 743 D CA 0.621 54.597 54.000 -0.040 0.000 0.852 743 D CB -0.080 40.701 40.800 -0.031 0.000 0.947 743 D HN 0.156 8.526 8.370 -0.000 0.000 0.494 744 L N 0.662 121.853 121.223 -0.055 0.000 2.263 744 L HA -0.205 4.135 4.340 0.000 0.000 0.216 744 L C 2.173 179.015 176.870 -0.046 0.000 1.111 744 L CA 0.833 55.641 54.840 -0.053 0.000 0.773 744 L CB -0.204 41.815 42.059 -0.067 0.000 0.906 744 L HN -0.066 8.164 8.230 -0.000 0.000 0.439 745 E N 0.608 120.782 120.200 -0.044 0.000 2.012 745 E HA -0.223 4.127 4.350 0.000 0.000 0.197 745 E C 1.773 178.354 176.600 -0.031 0.000 1.007 745 E CA 1.262 57.640 56.400 -0.037 0.000 0.816 745 E CB -0.145 29.535 29.700 -0.033 0.000 0.762 745 E HN 0.264 8.624 8.360 -0.000 0.000 0.451 746 E N -0.070 120.113 120.200 -0.028 0.000 2.505 746 E HA 0.002 4.352 4.350 0.000 0.000 0.197 746 E C -0.313 176.270 176.600 -0.029 0.000 1.111 746 E CA 0.090 56.475 56.400 -0.025 0.000 0.887 746 E CB -0.056 29.632 29.700 -0.020 0.000 0.913 746 E HN 0.146 8.506 8.360 -0.000 0.000 0.517 747 I N 2.625 123.174 120.570 -0.034 0.000 2.396 747 I HA 0.159 4.329 4.170 0.000 0.000 0.292 747 I C -1.938 174.150 176.117 -0.047 0.000 0.999 747 I CA -2.956 58.319 61.300 -0.042 0.000 1.310 747 I CB 0.653 38.626 38.000 -0.045 0.000 1.404 747 I HN -0.108 8.102 8.210 -0.000 0.000 0.496 748 P HA 0.030 4.450 4.420 -0.000 0.000 0.265 748 P C 0.218 177.481 177.300 -0.062 0.000 1.193 748 P CA 0.000 63.065 63.100 -0.058 0.000 0.765 748 P CB 1.135 32.792 31.700 -0.072 0.000 0.823 749 D N 2.885 123.258 120.400 -0.045 0.000 2.116 749 D HA -0.211 4.429 4.640 0.000 0.000 0.193 749 D C 1.529 177.806 176.300 -0.038 0.000 0.998 749 D CA 2.008 55.986 54.000 -0.036 0.000 0.836 749 D CB -0.413 40.373 40.800 -0.024 0.000 0.951 749 D HN 0.580 8.950 8.370 -0.000 0.000 0.449 750 N N 1.109 119.781 118.700 -0.046 0.000 2.104 750 N HA -0.158 4.583 4.740 0.000 0.000 0.190 750 N C 1.859 177.306 175.510 -0.104 0.000 1.024 750 N CA 1.303 54.329 53.050 -0.040 0.000 0.853 750 N CB -0.794 37.672 38.487 -0.035 0.000 1.008 750 N HN 0.052 8.432 8.380 -0.000 0.000 0.424 751 V N 0.951 120.725 119.914 -0.234 0.000 2.237 751 V HA -0.213 3.908 4.120 0.000 0.000 0.245 751 V C 2.440 178.438 176.094 -0.159 0.000 1.046 751 V CA 1.390 63.422 62.300 -0.446 0.000 1.007 751 V CB -0.607 31.018 31.823 -0.329 0.000 0.638 751 V HN 0.311 8.501 8.190 -0.000 0.000 0.445 752 I N 0.473 120.995 120.570 -0.080 0.000 2.113 752 I HA -0.328 3.842 4.170 0.000 0.000 0.242 752 I C 2.780 178.909 176.117 0.019 0.000 1.064 752 I CA 2.048 63.334 61.300 -0.024 0.000 1.320 752 I CB -1.877 36.105 38.000 -0.031 0.000 1.028 752 I HN 0.353 8.563 8.210 -0.000 0.000 0.406 753 A N 0.724 123.555 122.820 0.019 0.000 1.883 753 A HA -0.356 3.964 4.320 0.000 0.000 0.232 753 A C 1.911 179.538 177.584 0.072 0.000 1.671 753 A CA 2.846 54.909 52.037 0.044 0.000 0.748 753 A CB -1.264 17.767 19.000 0.052 0.000 0.850 753 A HN 0.480 8.630 8.150 -0.000 0.000 0.488 754 D N -0.730 119.758 120.400 0.146 0.000 2.352 754 D HA 0.307 4.947 4.640 0.000 0.000 0.236 754 D C -0.226 176.129 176.300 0.091 0.000 1.148 754 D CA 0.018 54.080 54.000 0.103 0.000 0.844 754 D CB -0.331 40.506 40.800 0.062 0.000 0.933 754 D HN 0.381 8.751 8.370 -0.000 0.000 0.507 755 L N 0.189 121.469 121.223 0.095 0.000 2.346 755 L HA 0.342 4.682 4.340 0.000 0.000 0.276 755 L C -0.161 176.735 176.870 0.044 0.000 1.006 755 L CA -0.924 53.962 54.840 0.078 0.000 0.817 755 L CB 2.008 44.123 42.059 0.092 0.000 1.272 755 L HN -0.285 7.945 8.230 -0.000 0.000 0.421 756 D N 3.811 124.244 120.400 0.056 0.000 2.557 756 D HA 0.287 4.927 4.640 0.000 0.000 0.236 756 D C -0.060 176.281 176.300 0.067 0.000 1.154 756 D CA -0.265 53.763 54.000 0.047 0.000 0.985 756 D CB 0.115 40.987 40.800 0.119 0.000 1.010 756 D HN 0.245 8.615 8.370 -0.000 0.000 0.516 757 I N 2.651 123.215 120.570 -0.011 0.000 2.505 757 I HA 0.034 4.204 4.170 0.000 0.000 0.287 757 I C 0.080 176.143 176.117 -0.090 0.000 1.104 757 I CA 0.080 61.380 61.300 -0.001 0.000 1.387 757 I CB 0.301 38.288 38.000 -0.023 0.000 1.404 757 I HN 0.214 8.424 8.210 -0.000 0.000 0.528 758 H N 7.169 126.248 119.070 0.015 0.000 2.673 758 H HA 0.294 4.850 4.556 0.000 0.000 0.293 758 H C -2.294 173.056 175.328 0.037 0.000 1.065 758 H CA -1.805 54.259 56.048 0.027 0.000 1.236 758 H CB 0.774 30.556 29.762 0.033 0.000 1.389 758 H HN 0.363 8.643 8.280 -0.000 0.000 0.481 759 P HA 0.039 4.459 4.420 -0.000 0.000 0.281 759 P C -0.332 177.118 177.300 0.250 0.000 1.286 759 P CA -0.313 62.845 63.100 0.097 0.000 0.772 759 P CB 1.267 32.914 31.700 -0.089 0.000 0.862 760 V N 1.715 121.764 119.914 0.224 0.000 2.881 760 V HA 0.483 4.603 4.120 0.000 0.000 0.316 760 V C 0.913 177.129 176.094 0.204 0.000 1.070 760 V CA -0.576 61.848 62.300 0.206 0.000 0.976 760 V CB 2.331 34.225 31.823 0.118 0.000 1.038 760 V HN 0.333 8.523 8.190 -0.000 0.000 0.446 761 K N 0.494 120.953 120.400 0.098 0.000 2.350 761 K HA 0.387 4.707 4.320 0.000 0.000 0.196 761 K C 0.315 176.922 176.600 0.012 0.000 1.084 761 K CA -0.143 56.159 56.287 0.024 0.000 0.967 761 K CB 0.404 32.819 32.500 -0.142 0.000 0.950 761 K HN 0.552 8.802 8.250 -0.000 0.000 0.512 762 R N 0.477 120.984 120.500 0.010 0.000 2.854 762 R HA 0.222 4.562 4.340 0.000 0.000 0.271 762 R C 0.849 177.157 176.300 0.013 0.000 0.996 762 R CA -0.550 55.552 56.100 0.005 0.000 0.961 762 R CB 1.080 31.375 30.300 -0.009 0.000 1.182 762 R HN -0.058 8.212 8.270 -0.000 0.000 0.479 763 I N 1.896 122.471 120.570 0.009 0.000 2.546 763 I HA -0.157 4.013 4.170 0.000 0.000 0.255 763 I C 1.284 177.403 176.117 0.003 0.000 1.163 763 I CA 1.637 62.941 61.300 0.008 0.000 1.457 763 I CB -0.017 37.987 38.000 0.007 0.000 1.092 763 I HN 0.583 8.793 8.210 -0.000 0.000 0.434 764 E N 0.683 120.884 120.200 0.001 0.000 2.051 764 E HA -0.225 4.125 4.350 0.000 0.000 0.192 764 E C 2.067 178.665 176.600 -0.003 0.000 0.991 764 E CA 1.695 58.093 56.400 -0.002 0.000 0.799 764 E CB -0.320 29.378 29.700 -0.003 0.000 0.748 764 E HN 0.565 8.925 8.360 -0.000 0.000 0.449 765 E N 0.233 120.433 120.200 0.002 0.000 2.085 765 E HA -0.187 4.164 4.350 0.000 0.000 0.194 765 E C 2.105 178.700 176.600 -0.008 0.000 0.994 765 E CA 1.386 57.788 56.400 0.003 0.000 0.801 765 E CB -0.094 29.620 29.700 0.023 0.000 0.743 765 E HN 0.081 8.441 8.360 -0.000 0.000 0.453 766 V N 1.555 121.468 119.914 -0.001 0.000 2.261 766 V HA -0.261 3.859 4.120 0.000 0.000 0.246 766 V C 2.357 178.440 176.094 -0.018 0.000 1.047 766 V CA 1.521 63.816 62.300 -0.008 0.000 1.015 766 V CB -0.542 31.283 31.823 0.003 0.000 0.642 766 V HN 0.265 8.455 8.190 -0.000 0.000 0.446 767 L N 0.107 121.321 121.223 -0.014 0.000 2.012 767 L HA -0.238 4.103 4.340 0.000 0.000 0.210 767 L C 2.809 179.665 176.870 -0.023 0.000 1.073 767 L CA 2.376 57.206 54.840 -0.017 0.000 0.748 767 L CB -1.092 40.959 42.059 -0.014 0.000 0.891 767 L HN 0.488 8.718 8.230 -0.000 0.000 0.431 768 T N -0.362 114.179 114.554 -0.023 0.000 2.788 768 T HA -0.156 4.194 4.350 0.000 0.000 0.268 768 T C 1.875 176.549 174.700 -0.043 0.000 1.044 768 T CA 1.245 63.329 62.100 -0.027 0.000 1.139 768 T CB -0.069 68.787 68.868 -0.021 0.000 0.867 768 T HN 0.193 8.433 8.240 -0.000 0.000 0.454 769 L N 0.124 121.311 121.223 -0.059 0.000 2.131 769 L HA 0.202 4.542 4.340 0.000 0.000 0.206 769 L C 3.049 179.870 176.870 -0.082 0.000 1.087 769 L CA 1.094 55.874 54.840 -0.100 0.000 0.767 769 L CB -0.439 41.527 42.059 -0.155 0.000 0.917 769 L HN 0.354 8.584 8.230 -0.000 0.000 0.441 770 A N -0.501 122.287 122.820 -0.055 0.000 1.943 770 A HA 0.148 4.468 4.320 0.000 0.000 0.213 770 A C 1.203 178.768 177.584 -0.031 0.000 1.181 770 A CA 0.139 52.152 52.037 -0.040 0.000 0.653 770 A CB -0.230 18.753 19.000 -0.028 0.000 0.833 770 A HN 0.169 8.319 8.150 -0.000 0.000 0.451 771 L N -0.086 121.119 121.223 -0.029 0.000 2.452 771 L HA 0.100 4.440 4.340 0.000 0.000 0.267 771 L C 1.467 178.323 176.870 -0.024 0.000 1.188 771 L CA -0.259 54.566 54.840 -0.024 0.000 0.821 771 L CB 0.509 42.555 42.059 -0.023 0.000 1.102 771 L HN 0.425 8.655 8.230 -0.000 0.000 0.470 772 Q N 0.713 120.501 119.800 -0.020 0.000 2.134 772 Q HA 0.042 4.382 4.340 0.000 0.000 0.195 772 Q C 0.109 176.100 176.000 -0.015 0.000 0.958 772 Q CA 0.701 56.493 55.803 -0.017 0.000 0.840 772 Q CB 0.251 28.980 28.738 -0.014 0.000 0.918 772 Q HN 0.666 8.936 8.270 -0.000 0.000 0.467 773 N N 0.917 119.609 118.700 -0.015 0.000 2.434 773 N HA 0.119 4.860 4.740 0.000 0.000 0.266 773 N C -0.983 174.519 175.510 -0.013 0.000 1.223 773 N CA -0.590 52.452 53.050 -0.012 0.000 0.972 773 N CB 0.597 39.077 38.487 -0.012 0.000 1.207 773 N HN -0.065 8.315 8.380 -0.000 0.000 0.525 774 E N 1.758 121.951 120.200 -0.010 0.000 2.238 774 E HA 0.110 4.460 4.350 0.000 0.000 0.264 774 E C -1.901 174.693 176.600 -0.010 0.000 1.136 774 E CA -0.834 55.561 56.400 -0.009 0.000 0.929 774 E CB -0.422 29.274 29.700 -0.006 0.000 1.010 774 E HN 0.311 8.671 8.360 -0.000 0.000 0.440 775 P HA 0.000 4.420 4.420 -0.000 0.000 0.216 775 P CA 0.000 63.093 63.100 -0.012 0.000 0.800 775 P CB 0.000 31.693 31.700 -0.012 0.000 0.726