==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 18-AUG-08 3E7C . COMPND 2 MOLECULE: GLUCOCORTICOID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR K.P.MADAUSS,S.P.WILLIAMS,I.MCLAY,E.L.STEWART,R.K.BLEDSOE . 514 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 23 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 274 53.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 2 0 1 4 1 0 0 0 2 0 0 0 3 0 0 0 1 1 0 1 0 3 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 526 A P 0 0 115 0, 0.0 2,-0.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0-156.2 66.1 -6.3 -8.1 2 527 A Q + 0 0 57 1,-0.2 4,-0.2 4,-0.0 319,-0.1 -0.612 360.0 154.8-118.8 70.7 67.0 -3.6 -5.5 3 528 A L + 0 0 23 -2,-0.4 -1,-0.2 1,-0.1 0, 0.0 0.722 67.5 86.5 -61.3 -20.4 68.5 -0.6 -7.3 4 529 A T S S- 0 0 117 -3,-0.2 -1,-0.1 266,-0.0 265,-0.1 -0.760 93.0-131.2 -80.5 98.0 67.1 0.9 -4.1 5 530 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.211 13.7-135.5 -57.0 132.1 70.2 0.3 -1.9 6 531 A T > - 0 0 60 -4,-0.2 4,-0.9 1,-0.1 3,-0.2 -0.506 19.2-117.1 -85.3 158.0 69.8 -1.2 1.5 7 532 A L H >> S+ 0 0 11 1,-0.2 4,-2.2 2,-0.2 3,-1.0 0.921 113.0 54.0 -57.9 -47.0 71.5 0.1 4.6 8 533 A V H 3> S+ 0 0 9 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.824 103.1 56.1 -62.2 -32.8 73.5 -3.1 5.2 9 534 A S H 3> S+ 0 0 36 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.756 107.7 49.9 -71.0 -23.8 74.9 -3.0 1.7 10 535 A L H - 0 0 85 -2,-0.5 3,-0.7 1,-0.2 -1,-0.0 -0.625 15.6-167.1 -80.7 102.8 109.4 -8.4 11.3 25 550 A S T 3 S+ 0 0 100 -2,-0.9 -1,-0.2 1,-0.2 4,-0.1 0.712 81.8 68.1 -55.3 -22.8 109.2 -12.2 11.5 26 551 A S T 3 S+ 0 0 96 2,-0.1 -1,-0.2 -3,-0.0 3,-0.0 0.826 86.5 68.0 -77.0 -35.6 113.1 -12.4 11.5 27 552 A V S < S- 0 0 68 -3,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.670 99.5 -99.7 -79.7 141.7 113.7 -10.9 14.9 28 553 A P - 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.269 43.7 -99.4 -61.6 148.7 112.6 -13.1 17.8 29 554 A D + 0 0 42 -4,-0.1 2,-0.3 -3,-0.0 3,-0.1 -0.327 38.9 177.3 -69.6 147.8 109.3 -12.3 19.5 30 555 A S > - 0 0 49 1,-0.1 4,-2.3 -2,-0.1 3,-0.3 -0.983 36.9-128.2-144.8 143.8 108.9 -10.4 22.8 31 556 A T H > S+ 0 0 17 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.936 114.1 54.2 -54.1 -44.6 105.7 -9.4 24.6 32 557 A W H > S+ 0 0 124 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.868 109.1 47.5 -56.3 -39.5 107.1 -5.9 24.8 33 558 A R H > S+ 0 0 42 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.841 113.4 46.7 -75.2 -34.7 107.6 -5.9 21.0 34 559 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.964 109.2 53.8 -70.3 -51.5 104.1 -7.2 20.2 35 560 A M H X S+ 0 0 32 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.871 114.2 43.9 -47.2 -40.9 102.4 -4.7 22.6 36 561 A T H X S+ 0 0 21 -4,-1.4 4,-2.3 -5,-0.3 -1,-0.2 0.952 112.5 48.5 -75.4 -46.9 104.2 -1.9 20.8 37 562 A T H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.866 114.2 49.4 -60.8 -35.4 103.6 -3.1 17.3 38 563 A L H X S+ 0 0 30 -4,-3.1 4,-2.7 2,-0.2 -1,-0.2 0.822 106.4 54.6 -73.2 -36.3 100.0 -3.6 18.2 39 564 A N H X S+ 0 0 22 -4,-1.7 4,-2.4 -5,-0.3 -2,-0.2 0.898 110.8 47.4 -59.2 -42.3 99.7 -0.1 19.7 40 565 A M H X S+ 0 0 74 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.968 115.7 41.7 -67.9 -51.8 101.0 1.3 16.4 41 566 A L H X S+ 0 0 4 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.900 114.2 55.6 -57.9 -40.8 98.6 -0.7 14.3 42 567 A G H X S+ 0 0 12 -4,-2.7 4,-2.3 1,-0.2 3,-0.2 0.921 102.0 53.8 -61.0 -47.6 95.8 -0.0 16.8 43 568 A G H X S+ 0 0 2 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.892 111.5 48.1 -53.1 -39.4 96.2 3.8 16.6 44 569 A R H X S+ 0 0 117 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.813 107.5 53.8 -72.3 -31.3 95.8 3.4 12.8 45 570 A Q H X S+ 0 0 37 -4,-1.8 4,-1.8 -3,-0.2 -2,-0.2 0.847 107.6 52.3 -70.0 -35.1 92.7 1.1 13.1 46 571 A V H X S+ 0 0 4 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.903 107.5 50.6 -67.7 -42.6 91.1 3.8 15.3 47 572 A I H X S+ 0 0 73 -4,-1.6 4,-1.8 1,-0.2 3,-0.2 0.907 110.7 50.8 -57.8 -43.2 91.8 6.4 12.7 48 573 A A H X S+ 0 0 25 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.853 105.1 56.5 -58.8 -39.1 90.2 4.1 10.2 49 574 A A H X S+ 0 0 9 -4,-1.8 4,-3.6 2,-0.2 -1,-0.2 0.816 103.7 53.4 -69.0 -30.4 87.2 3.7 12.4 50 575 A V H X S+ 0 0 3 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.952 108.1 48.9 -64.9 -51.0 86.6 7.4 12.4 51 576 A K H < S+ 0 0 169 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.815 116.5 46.5 -57.1 -28.9 86.7 7.4 8.6 52 577 A W H >X S+ 0 0 7 -4,-1.5 3,-1.8 2,-0.2 4,-0.8 0.958 108.3 51.5 -77.9 -55.1 84.2 4.6 8.9 53 578 A A H >< S+ 0 0 0 -4,-3.6 3,-1.4 1,-0.3 6,-0.2 0.885 106.5 56.2 -50.1 -45.8 81.9 6.0 11.5 54 579 A K T 3< S+ 0 0 40 -4,-2.4 6,-0.3 1,-0.3 -1,-0.3 0.707 104.7 52.5 -61.1 -22.8 81.5 9.2 9.5 55 580 A A T <4 S+ 0 0 29 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.566 83.3 107.1 -92.0 -9.7 80.3 7.2 6.5 56 581 A I S XX S- 0 0 4 -3,-1.4 3,-2.1 -4,-0.8 4,-0.6 -0.596 86.1-106.8 -71.2 114.8 77.6 5.5 8.6 57 582 A P T 34 S+ 0 0 17 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.149 102.3 12.8 -45.1 124.8 74.2 6.9 7.5 58 583 A G T >4 S+ 0 0 4 -4,-0.1 3,-0.6 -3,-0.0 4,-0.3 -0.094 102.6 93.2 99.7 -34.7 73.0 9.2 10.3 59 584 A F G X4 S+ 0 0 2 -3,-2.1 3,-2.0 1,-0.3 -5,-0.1 0.929 83.9 50.4 -59.7 -51.2 76.2 9.4 12.3 60 585 A R G 3< S+ 0 0 154 -4,-0.6 -1,-0.3 -6,-0.3 -6,-0.1 0.718 103.4 64.0 -59.2 -20.8 77.5 12.6 10.7 61 586 A N G < S+ 0 0 67 -3,-0.6 -1,-0.3 2,-0.1 -2,-0.2 0.556 85.2 91.0 -86.1 -8.6 74.1 14.1 11.4 62 587 A L S < S- 0 0 5 -3,-2.0 5,-0.0 -4,-0.3 -4,-0.0 -0.474 97.7 -80.3 -74.1 157.7 74.6 13.8 15.2 63 588 A H > - 0 0 85 -2,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.235 41.6-117.7 -52.9 147.2 76.2 16.8 17.1 64 589 A L H > S+ 0 0 38 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.886 116.6 51.3 -63.0 -38.9 80.0 16.8 16.7 65 590 A D H > S+ 0 0 43 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.886 109.0 52.5 -65.3 -37.6 80.5 16.3 20.5 66 591 A D H > S+ 0 0 4 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.965 107.8 51.2 -56.0 -54.6 78.1 13.3 20.2 67 592 A Q H X S+ 0 0 12 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.866 113.3 45.4 -51.4 -41.8 80.2 11.9 17.4 68 593 A M H X S+ 0 0 12 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.941 109.0 53.9 -69.8 -48.3 83.3 12.3 19.5 69 594 A T H X S+ 0 0 25 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.844 109.2 50.3 -54.6 -33.9 81.9 10.8 22.7 70 595 A L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.881 111.6 44.5 -80.0 -37.8 80.8 7.7 20.8 71 596 A L H X S+ 0 0 6 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.860 113.4 54.0 -67.6 -36.4 84.1 7.0 19.2 72 597 A Q H < S+ 0 0 7 -4,-2.6 4,-0.2 1,-0.2 -2,-0.2 0.913 115.5 38.8 -62.9 -42.5 85.7 7.7 22.6 73 598 A Y H < S+ 0 0 16 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.808 125.4 34.9 -73.6 -33.0 83.4 5.2 24.3 74 599 A S H >X S+ 0 0 1 -4,-1.9 4,-2.4 1,-0.1 3,-0.9 0.522 77.7 103.6-111.5 -7.4 83.4 2.5 21.6 75 600 A W H 3X S+ 0 0 13 -4,-1.8 4,-2.2 1,-0.3 5,-0.2 0.881 91.0 43.6 -46.7 -45.9 86.9 2.4 19.9 76 601 A M H 3> S+ 0 0 17 -4,-0.2 4,-2.7 2,-0.2 -1,-0.3 0.792 109.6 57.1 -74.7 -24.8 87.9 -0.8 21.7 77 602 A Y H <> S+ 0 0 3 -3,-0.9 4,-2.0 2,-0.2 -1,-0.2 0.913 112.1 42.7 -64.0 -46.8 84.4 -2.4 21.2 78 603 A L H X S+ 0 0 7 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.843 115.2 49.1 -68.0 -38.2 85.0 -1.9 17.5 79 604 A M H X S+ 0 0 36 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.951 115.1 44.0 -66.4 -49.5 88.6 -3.1 17.6 80 605 A A H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.867 116.0 46.3 -65.4 -38.9 87.7 -6.1 19.6 81 606 A F H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.893 112.7 49.3 -74.6 -38.0 84.7 -7.0 17.5 82 607 A A H X S+ 0 0 31 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.855 112.3 48.6 -68.6 -36.6 86.5 -6.5 14.2 83 608 A L H X S+ 0 0 11 -4,-2.1 4,-3.2 2,-0.2 12,-0.3 0.947 109.1 53.7 -65.4 -50.6 89.4 -8.7 15.3 84 609 A G H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.933 111.0 46.8 -46.1 -52.0 87.0 -11.3 16.5 85 610 A W H X S+ 0 0 16 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.965 113.8 46.3 -57.6 -56.6 85.4 -11.3 13.0 86 611 A R H < S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.878 115.2 47.2 -50.8 -44.5 88.8 -11.5 11.2 87 612 A S H >< S+ 0 0 6 -4,-3.2 3,-1.1 2,-0.2 6,-0.3 0.896 112.2 49.8 -69.1 -41.6 90.0 -14.2 13.5 88 613 A Y H 3< S+ 0 0 38 -4,-2.8 -2,-0.2 -5,-0.3 -1,-0.2 0.957 106.6 54.5 -61.0 -52.0 86.8 -16.2 13.1 89 614 A R T 3< 0 0 135 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.561 360.0 360.0 -61.0 -3.1 86.9 -15.9 9.3 90 615 A Q < 0 0 152 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.941 360.0 360.0 -93.7 360.0 90.5 -17.4 9.5 91 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 92 619 A N 0 0 179 0, 0.0 2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 28.0 91.9 -20.8 16.3 93 620 A L - 0 0 70 -6,-0.3 2,-0.8 -5,-0.1 -3,-0.2 -0.665 360.0-116.8-111.4 156.1 94.1 -17.7 16.2 94 621 A L E -A 102 0A 0 8,-1.2 8,-2.9 -2,-0.2 2,-1.3 -0.762 28.9-162.5 -81.8 107.3 94.0 -13.9 16.8 95 622 A C E +A 101 0A 12 -2,-0.8 6,-0.2 -12,-0.3 -1,-0.1 -0.530 22.1 164.5 -96.6 70.5 94.7 -12.4 13.4 96 623 A F E S- 0 0 39 -2,-1.3 -1,-0.2 4,-0.6 5,-0.2 0.827 76.9 -15.2 -54.4 -34.5 95.6 -8.9 14.4 97 624 A A E > S-A 100 0A 1 3,-1.1 3,-2.4 -3,-0.2 -1,-0.2 -0.951 73.2-102.5-162.4 158.2 97.0 -8.5 10.9 98 625 A P T 3 S+ 0 0 66 0, 0.0 3,-0.2 0, 0.0 -78,-0.1 0.818 128.6 40.1 -57.5 -29.2 98.0 -10.9 8.0 99 626 A D T 3 S+ 0 0 46 1,-0.2 -76,-0.2 -4,-0.1 2,-0.1 0.141 116.6 53.8-104.7 15.9 101.6 -10.3 9.1 100 627 A L E < +A 97 0A 0 -3,-2.4 -3,-1.1 -78,-0.1 -4,-0.6 -0.517 64.2 158.6-148.9 78.4 100.8 -10.4 12.8 101 628 A I E -A 95 0A 55 -3,-0.2 2,-1.3 -6,-0.2 -6,-0.2 -0.890 38.9-134.7-103.8 123.1 98.9 -13.5 13.9 102 629 A I E +A 94 0A 3 -8,-2.9 -8,-1.2 -2,-0.5 2,-0.1 -0.657 38.5 178.7 -78.2 97.6 99.0 -14.5 17.6 103 630 A N > - 0 0 50 -2,-1.3 4,-3.7 -10,-0.2 5,-0.2 -0.202 47.2 -78.5 -89.4-175.8 99.7 -18.2 17.2 104 631 A E H > S+ 0 0 162 1,-0.2 4,-1.4 2,-0.2 -2,-0.0 0.931 131.3 46.9 -53.4 -53.1 100.2 -20.9 19.9 105 632 A Q H >4 S+ 0 0 140 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.967 116.6 43.2 -51.1 -57.9 103.8 -19.9 20.5 106 633 A R H >4 S+ 0 0 26 1,-0.3 3,-1.9 2,-0.2 -2,-0.2 0.892 106.6 62.6 -60.1 -37.0 103.0 -16.2 20.6 107 634 A M H 3< S+ 0 0 27 -4,-3.7 6,-0.3 1,-0.3 -1,-0.3 0.855 101.8 52.7 -54.8 -34.4 99.9 -16.9 22.8 108 635 A T T << S+ 0 0 106 -4,-1.4 -1,-0.3 -3,-1.0 -2,-0.2 0.483 80.5 120.1 -88.4 -1.7 102.2 -18.3 25.4 109 636 A L S X S- 0 0 36 -3,-1.9 3,-1.7 -4,-0.4 4,-0.5 -0.267 82.4 -74.0 -56.6 148.6 104.5 -15.2 25.7 110 637 A P T 3 S- 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.147 113.5 -2.6 -51.1 132.1 104.6 -13.6 29.1 111 638 A G T 3 S+ 0 0 45 -3,-0.1 -2,-0.1 1,-0.1 -3,-0.1 0.677 104.5 108.0 64.4 21.8 101.5 -11.6 30.0 112 639 A M X> + 0 0 15 -3,-1.7 4,-2.0 -5,-0.2 3,-1.2 0.821 66.1 54.1-100.3 -38.4 99.8 -12.2 26.7 113 640 A Y H 3> S+ 0 0 134 -4,-0.5 4,-2.1 -6,-0.3 5,-0.2 0.813 93.9 71.8 -70.8 -27.3 97.0 -14.7 27.3 114 641 A D H 34 S+ 0 0 98 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.552 112.7 28.3 -68.3 -6.0 95.5 -12.5 30.0 115 642 A Q H X> S+ 0 0 39 -3,-1.2 3,-1.6 2,-0.1 4,-1.1 0.680 117.1 54.9-113.9 -47.0 94.4 -10.1 27.2 116 643 A C H 3X S+ 0 0 7 -4,-2.0 4,-3.6 1,-0.3 5,-0.2 0.775 94.6 69.2 -64.4 -28.1 93.9 -12.3 24.2 117 644 A K H 3X S+ 0 0 68 -4,-2.1 4,-1.4 1,-0.2 -1,-0.3 0.755 99.2 51.3 -64.7 -24.0 91.5 -14.7 25.9 118 645 A H H <> S+ 0 0 26 -3,-1.6 4,-1.3 -5,-0.2 -1,-0.2 0.881 112.3 45.2 -77.1 -40.7 89.0 -11.8 25.9 119 646 A M H X S+ 0 0 10 -4,-1.1 4,-2.1 1,-0.2 -2,-0.2 0.916 111.3 54.4 -61.7 -42.9 89.6 -11.4 22.2 120 647 A L H X S+ 0 0 30 -4,-3.6 4,-2.9 1,-0.2 -2,-0.2 0.849 101.8 57.3 -62.5 -38.0 89.4 -15.1 21.8 121 648 A Y H X S+ 0 0 86 -4,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.904 106.5 49.8 -58.4 -42.3 86.0 -15.2 23.5 122 649 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 5,-0.2 0.957 113.8 45.4 -61.7 -48.1 84.7 -12.8 20.9 123 650 A S H X S+ 0 0 13 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.887 113.9 49.3 -58.8 -42.0 86.1 -14.9 18.1 124 651 A S H X S+ 0 0 63 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.864 110.9 49.5 -69.6 -37.6 84.7 -18.1 19.7 125 652 A E H 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4,-3.3 1,-0.2 5,-0.3 0.862 105.1 58.7 -71.4 -35.5 90.6 -1.7 28.8 207 734 A N H X S+ 0 0 81 -4,-1.9 4,-1.0 -5,-0.3 -1,-0.2 0.763 114.4 38.4 -64.9 -22.7 91.7 -2.6 32.4 208 735 A Y H < S+ 0 0 53 -4,-1.3 4,-0.4 -3,-0.4 -1,-0.2 0.600 117.8 48.2-104.7 -17.1 94.8 -4.2 31.0 209 736 A C H X S+ 0 0 17 -4,-1.2 4,-1.4 -5,-0.2 -2,-0.2 0.822 114.8 47.1 -85.2 -39.2 95.4 -1.7 28.2 210 737 A F H >X S+ 0 0 14 -4,-3.3 4,-2.2 2,-0.2 3,-0.8 0.981 111.8 46.4 -63.5 -60.1 95.0 1.2 30.6 211 738 A Q H 3X S+ 0 0 124 -4,-1.0 4,-1.3 -5,-0.3 -1,-0.2 0.817 112.0 54.2 -58.0 -29.1 97.2 -0.1 33.5 212 739 A T H 34 S+ 0 0 14 -4,-0.4 -1,-0.3 2,-0.2 8,-0.3 0.842 108.1 49.3 -69.3 -34.7 99.8 -0.9 30.8 213 740 A F H << S+ 0 0 56 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.842 115.2 44.4 -69.5 -34.3 99.5 2.7 29.6 214 741 A L H < S+ 0 0 98 -4,-2.2 2,-1.0 -5,-0.1 -2,-0.2 0.659 82.8 111.0 -85.9 -18.2 100.0 3.9 33.2 215 742 A D >< - 0 0 61 -4,-1.3 3,-1.3 -5,-0.3 4,-0.5 -0.439 49.7-167.9 -65.2 99.3 102.8 1.5 34.0 216 743 A K T 3 S+ 0 0 125 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110.2 53.2 -68.9 -28.0 95.7 0.1 -12.7 308 570 B Q H X S+ 0 0 35 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.880 108.6 49.5 -72.2 -40.1 92.9 2.6 -13.2 309 571 B V H X S+ 0 0 4 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.925 108.5 51.7 -65.2 -45.7 90.9 0.1 -15.4 310 572 B I H >X S+ 0 0 76 -4,-2.2 4,-1.6 1,-0.2 3,-0.5 0.921 111.5 49.0 -54.9 -42.7 91.3 -2.7 -12.8 311 573 B A H 3X S+ 0 0 27 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.814 104.7 58.2 -67.6 -31.7 89.9 -0.2 -10.3 312 574 B A H 3X S+ 0 0 10 -4,-1.7 4,-2.9 2,-0.2 -1,-0.2 0.799 103.1 54.3 -66.5 -28.4 87.1 0.6 -12.6 313 575 B V H X S+ 0 0 8 -4,-1.6 3,-0.9 2,-0.2 4,-0.5 0.955 109.3 48.1 -70.8 -52.7 83.9 0.1 -9.1 316 578 B A H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 6,-0.2 0.903 107.8 55.5 -55.1 -47.0 81.4 -1.2 -11.7 317 579 B K H 3< S+ 0 0 14 -4,-2.3 6,-0.4 1,-0.3 -1,-0.3 0.741 106.0 52.4 -63.1 -23.4 80.7 -4.4 -9.7 318 580 B A H << S+ 0 0 30 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.531 83.6 107.3 -89.7 -6.1 79.8 -2.3 -6.7 319 581 B I S XX S- 0 0 5 -3,-1.7 3,-2.4 -4,-0.5 4,-0.5 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107.6 49.0 -58.5 -40.2 69.5 18.4 -18.0 449 716 B Y H X S+ 0 0 127 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.884 112.8 48.5 -64.1 -38.3 69.8 19.1 -21.7 450 717 B Q H X S+ 0 0 73 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.968 113.7 44.3 -68.6 -52.0 73.3 20.7 -21.1 451 718 B L H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -1,-0.2 0.838 115.5 47.5 -59.4 -39.4 74.6 17.8 -19.0 452 719 B T H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 55,-0.4 0.749 107.8 56.9 -78.5 -22.7 73.2 15.1 -21.3 453 720 B K H X S+ 0 0 87 -4,-1.3 4,-2.0 -5,-0.2 -2,-0.2 0.909 107.1 48.8 -68.1 -43.1 74.6 17.0 -24.2 454 721 B L H X S+ 0 0 2 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.953 109.0 53.0 -58.5 -48.4 78.0 16.7 -22.5 455 722 B L H >< S+ 0 0 5 -4,-2.2 3,-0.6 1,-0.2 4,-0.3 0.919 109.8 48.4 -52.5 -47.8 77.4 12.9 -22.1 456 723 B D H >< S+ 0 0 20 -4,-2.0 3,-1.7 1,-0.2 4,-0.4 0.882 105.1 58.3 -59.8 -41.6 76.7 12.6 -25.8 457 724 B S H >X S+ 0 0 30 -4,-2.0 4,-1.8 1,-0.3 3,-0.7 0.786 87.2 78.1 -64.7 -26.3 79.8 14.5 -26.7 458 725 B M H S+ 0 0 10 -3,-1.7 4,-2.5 -4,-0.3 -1,-0.2 0.956 104.0 41.9 -66.6 -47.5 81.5 9.6 -27.8 460 727 B E H <> S+ 0 0 130 -3,-0.7 4,-2.1 -4,-0.4 -2,-0.2 0.928 113.7 54.4 -64.9 -43.4 83.5 11.7 -30.2 461 728 B V H X S+ 0 0 7 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.942 113.7 40.4 -48.8 -54.8 86.0 12.5 -27.5 462 729 B V H X S+ 0 0 2 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.842 107.4 62.8 -69.7 -34.0 86.7 8.8 -26.8 463 730 B E H X S+ 0 0 90 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.927 111.3 39.5 -53.8 -46.0 86.6 8.0 -30.5 464 731 B N H X S+ 0 0 53 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.966 112.0 55.4 -68.6 -55.5 89.6 10.2 -30.9 465 732 B L H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.830 110.2 47.8 -42.9 -41.2 91.3 9.1 -27.7 466 733 B L H X S+ 0 0 2 -4,-2.5 4,-4.2 2,-0.2 5,-0.4 0.891 105.9 56.0 -78.5 -37.0 91.2 5.5 -28.9 467 734 B N H X S+ 0 0 96 -4,-1.6 4,-2.8 -5,-0.2 5,-0.2 0.951 111.8 42.9 -53.8 -50.6 92.5 6.2 -32.4 468 735 B Y H X S+ 0 0 64 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.646 119.5 46.3 -74.5 -14.1 95.7 7.8 -31.0 469 736 B C H X S+ 0 0 18 -4,-0.6 4,-1.4 -3,-0.3 -2,-0.2 0.874 115.0 42.9 -90.4 -50.0 95.9 5.0 -28.4 470 737 B F H X S+ 0 0 16 -4,-4.2 4,-2.0 2,-0.2 5,-0.2 0.913 113.1 54.3 -60.0 -45.4 95.2 2.1 -30.7 471 738 B Q H X S+ 0 0 130 -4,-2.8 4,-1.3 -5,-0.4 3,-0.3 0.933 108.6 48.1 -54.5 -49.6 97.6 3.6 -33.3 472 739 B T H < S+ 0 0 12 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.813 111.0 53.9 -58.5 -31.9 100.3 3.8 -30.8 473 740 B F H < S+ 0 0 54 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.837 110.5 43.7 -73.6 -34.2 99.5 0.2 -29.8 474 741 B L H < S+ 0 0 97 -4,-2.0 2,-0.5 -3,-0.3 -1,-0.2 0.632 89.7 101.7 -88.4 -16.1 99.9 -1.1 -33.4 475 742 B D < - 0 0 57 -4,-1.3 3,-0.4 -5,-0.2 5,-0.2 -0.602 48.5-171.9 -79.0 122.6 103.0 0.8 -34.2 476 743 B K S S+ 0 0 192 -2,-0.5 -1,-0.2 1,-0.2 -4,-0.0 0.783 81.9 66.5 -83.7 -30.3 106.1 -1.4 -34.0 477 744 B T S S+ 0 0 123 1,-0.2 2,-0.7 2,-0.1 -1,-0.2 0.582 93.0 72.1 -66.8 -9.1 108.6 1.5 -34.5 478 745 B M S S- 0 0 61 -3,-0.4 2,-1.1 -6,-0.1 -1,-0.2 -0.804 75.6-154.5-113.8 89.6 107.4 2.7 -31.1 479 746 B S + 0 0 81 -2,-0.7 2,-0.4 2,-0.0 -3,-0.1 -0.472 35.9 157.6 -61.0 96.7 108.7 0.5 -28.4 480 747 B I - 0 0 26 -2,-1.1 2,-0.5 -5,-0.2 -2,-0.1 -0.981 35.0-138.1-136.6 122.6 105.9 1.2 -25.9 481 748 B E - 0 0 49 -2,-0.4 -179,-0.2 0, 0.0 -178,-0.1 -0.674 18.1-179.1 -85.8 124.5 104.8 -1.0 -22.9 482 749 B F - 0 0 33 -2,-0.5 2,-0.1 -180,-0.1 -179,-0.1 -0.936 34.0-113.8-108.0 142.5 101.2 -1.5 -22.1 483 750 B P > - 0 0 30 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.459 32.4-108.6 -71.8 155.1 100.3 -3.7 -19.1 484 751 B E H > S+ 0 0 156 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.884 114.2 59.3 -55.8 -51.3 98.5 -7.0 -20.0 485 752 B M H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.910 115.2 37.5 -38.4 -55.5 95.0 -6.0 -18.7 486 753 B L H > S+ 0 0 6 -3,-0.5 4,-3.2 2,-0.2 5,-0.2 0.915 111.7 56.2 -67.6 -48.0 95.0 -3.1 -21.1 487 754 B A H X S+ 0 0 24 -4,-2.5 4,-3.0 1,-0.2 5,-0.2 0.920 109.6 50.0 -53.3 -43.1 96.7 -4.8 -24.0 488 755 B E H X S+ 0 0 36 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.958 111.6 45.0 -56.6 -57.5 94.0 -7.4 -23.8 489 756 B I H < S+ 0 0 0 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.2 0.865 115.2 51.0 -58.7 -35.7 91.1 -5.0 -23.8 490 757 B I H >X S+ 0 0 1 -4,-3.2 4,-2.1 2,-0.2 3,-1.1 0.949 110.6 45.4 -68.8 -48.1 92.8 -3.1 -26.6 491 758 B T H 3< S+ 0 0 79 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.934 112.3 51.6 -61.5 -46.5 93.4 -6.1 -28.9 492 759 B N T 3< S+ 0 0 52 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.3 0.601 114.4 47.4 -65.9 -9.7 89.9 -7.4 -28.3 493 760 B Q T <> S+ 0 0 0 -3,-1.1 4,-1.1 -4,-0.4 -2,-0.2 0.824 87.5 75.6-103.1 -39.0 88.6 -3.9 -29.2 494 761 B I H >X S+ 0 0 39 -4,-2.1 4,-1.5 1,-0.2 3,-0.7 0.865 99.5 48.5 -44.4 -48.8 90.4 -2.8 -32.4 495 762 B P H >> S+ 0 0 78 0, 0.0 4,-2.9 0, 0.0 3,-0.5 0.953 102.6 59.4 -57.3 -55.2 88.2 -5.1 -34.6 496 763 B K H 3>>S+ 0 0 53 -4,-0.4 5,-1.2 1,-0.3 4,-1.0 0.702 106.4 50.8 -50.1 -24.1 84.9 -4.1 -33.2 497 764 B Y H <<5S+ 0 0 73 -4,-1.1 -1,-0.3 -3,-0.7 -3,-0.1 0.886 109.5 47.6 -81.4 -43.6 85.6 -0.5 -34.3 498 765 B S H <<5S+ 0 0 95 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.1 0.922 117.7 44.9 -56.0 -43.6 86.5 -1.5 -37.8 499 766 B N H <5S- 0 0 78 -4,-2.9 -2,-0.2 -5,-0.1 -1,-0.2 0.738 96.0-145.4 -76.2 -25.0 83.3 -3.6 -37.8 500 767 B G T <5 + 0 0 52 -4,-1.0 -3,-0.2 -5,-0.3 -4,-0.1 0.896 47.4 146.0 57.7 42.8 81.1 -0.9 -36.2 501 768 B N < + 0 0 47 -5,-1.2 -87,-2.9 2,-0.1 2,-0.6 0.135 41.1 107.1 -90.3 19.0 79.1 -3.4 -34.3 502 769 B I E -D 413 0D 30 -6,-0.3 2,-0.7 -89,-0.2 -91,-0.0 -0.885 58.6-155.3-107.2 119.6 78.8 -0.8 -31.5 503 770 B K E -D 412 0D 109 -91,-3.2 -91,-2.3 -2,-0.6 2,-0.7 -0.842 11.5-151.4 -92.3 116.8 75.6 1.1 -30.9 504 771 B K E -D 411 0D 86 -2,-0.7 2,-0.2 -93,-0.2 -93,-0.2 -0.804 14.5-133.7 -91.9 115.9 76.3 4.5 -29.2 505 772 B L - 0 0 24 -95,-2.0 2,-0.4 -2,-0.7 -96,-0.0 -0.475 22.7-161.8 -73.8 132.0 73.4 5.6 -27.0 506 773 B L - 0 0 72 -2,-0.2 3,-0.1 1,-0.1 -53,-0.1 -0.937 25.2-164.0-119.0 133.2 72.4 9.3 -27.5 507 774 B F S S+ 0 0 41 -2,-0.4 2,-0.4 -55,-0.4 -1,-0.1 0.835 92.5 32.9 -75.6 -32.7 70.3 11.5 -25.2 508 775 B H 0 0 41 -56,-0.2 -1,-0.2 1,-0.1 -59,-0.0 -0.987 360.0 360.0-128.8 133.8 69.8 13.9 -28.2 509 776 B Q 0 0 200 -2,-0.4 -1,-0.1 -3,-0.1 -2,-0.0 0.874 360.0 360.0 -83.6 360.0 69.6 12.7 -31.8 510 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 511 742 D N > 0 0 55 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 15.6 89.9 -11.8 -22.0 512 743 D A H > + 0 0 67 2,-0.2 4,-4.8 1,-0.2 5,-0.1 0.815 360.0 49.8 -66.5 -40.8 90.5 -14.0 -19.0 513 744 D L H > S+ 0 0 51 2,-0.2 4,-3.9 1,-0.2 5,-0.3 0.938 113.6 46.4 -68.3 -45.9 91.7 -11.5 -16.4 514 745 D L H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.960 115.9 47.4 -53.7 -48.6 88.8 -9.1 -17.1 515 746 D R H X S+ 0 0 105 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.975 114.4 47.0 -57.7 -52.7 86.7 -12.3 -16.9 516 747 D Y H < S+ 0 0 153 -4,-4.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 112.0 49.7 -49.4 -51.9 88.5 -13.3 -13.6 517 748 D L H < S+ 0 0 24 -4,-3.9 3,-0.5 1,-0.2 -1,-0.2 0.851 116.7 41.5 -60.9 -36.2 88.2 -9.7 -12.1 518 749 D L H < S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.950 112.1 51.6 -78.8 -46.6 84.5 -9.6 -12.9 519 750 D D < 0 0 107 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.276 360.0 360.0 -75.6 11.2 83.5 -13.1 -11.9 520 751 D K 0 0 149 -3,-0.5 -1,-0.2 -4,-0.2 -3,-0.1 0.017 360.0 360.0 -77.5 360.0 85.2 -12.7 -8.5