==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 18-DEC-09 3L3Z . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.E.ZHOU,K.M.SUINO-POWELL,J.LI,A.HE,J.P.MACKEIGAN,K.MELCHER, . 261 3 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12891.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 75.5 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 . 9 3.4 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 . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 8 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 55.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.9 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 1 0 1 0 2 0 0 0 1 0 0 1 1 0 1 0 0 0 0 0 1 0 0 0 1 0 1 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 2 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 . 2 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 1 669 A S 0 0 173 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.4 20.7 4.2 26.7 2 670 A Q - 0 0 160 1,-0.1 0, 0.0 2,-0.0 0, 0.0 -0.326 360.0-118.5 -56.8 124.8 18.1 4.1 23.9 3 671 A P + 0 0 66 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.217 33.3 174.4 -69.6 159.4 16.8 7.6 23.1 4 672 A I > + 0 0 126 3,-0.1 4,-2.1 2,-0.0 5,-0.2 0.537 69.3 63.8-132.7 -44.0 13.1 8.4 23.5 5 673 A F H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.936 108.5 43.0 -56.7 -49.8 12.7 12.1 22.8 6 674 A L H > S+ 0 0 27 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.874 107.8 59.6 -67.4 -37.4 13.7 11.8 19.2 7 675 A N H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 109.6 45.5 -51.9 -46.5 11.7 8.6 18.6 8 676 A V H X S+ 0 0 41 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.965 111.1 50.2 -66.5 -54.5 8.6 10.7 19.6 9 677 A L H X S+ 0 0 4 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.909 113.7 45.5 -50.1 -46.1 9.4 13.7 17.4 10 678 A E H >< S+ 0 0 87 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.907 112.4 52.4 -65.2 -41.3 10.0 11.6 14.3 11 679 A A H 3< S+ 0 0 83 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.827 113.5 41.2 -62.5 -39.5 6.9 9.6 15.0 12 680 A I H 3< S+ 0 0 36 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.443 79.6 129.5 -91.7 -1.3 4.5 12.6 15.3 13 681 A E << - 0 0 65 -4,-0.7 -3,-0.0 -3,-0.6 124,-0.0 -0.337 66.2-110.2 -61.4 128.0 6.0 14.6 12.4 14 682 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.200 30.4-135.5 -62.6 145.0 3.1 15.7 10.1 15 683 A G - 0 0 61 1,-0.2 2,-0.1 -3,-0.1 31,-0.0 0.005 48.6 -41.2 -82.5-165.1 2.8 14.2 6.7 16 684 A V - 0 0 118 1,-0.0 2,-0.4 81,-0.0 -1,-0.2 -0.360 54.3-163.9 -62.7 135.6 2.1 15.8 3.4 17 685 A V - 0 0 23 79,-0.1 2,-0.2 -3,-0.1 26,-0.1 -0.985 4.8-151.3-126.9 126.1 -0.6 18.5 3.3 18 686 A C - 0 0 57 -2,-0.4 24,-0.1 79,-0.2 79,-0.0 -0.644 10.9-146.5 -93.6 150.0 -2.2 19.9 0.1 19 687 A A - 0 0 1 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.774 34.6-125.0 -84.2 -28.2 -3.6 23.4 -0.3 20 688 A G + 0 0 48 1,-0.3 2,-0.2 18,-0.0 80,-0.0 0.629 50.8 167.1 87.0 20.9 -6.5 22.4 -2.6 21 689 A H - 0 0 11 1,-0.1 2,-1.1 14,-0.1 -1,-0.3 -0.463 38.1-134.3 -73.9 134.7 -5.2 24.9 -5.1 22 690 A D > - 0 0 79 -2,-0.2 3,-1.5 1,-0.1 -1,-0.1 -0.763 15.1-166.1 -86.1 99.1 -6.6 24.7 -8.6 23 691 A N T 3 S+ 0 0 77 -2,-1.1 -1,-0.1 1,-0.2 4,-0.1 0.428 78.4 73.7 -67.7 5.3 -3.5 25.0 -10.8 24 692 A N T 3 S+ 0 0 144 2,-0.1 -1,-0.2 3,-0.0 3,-0.1 0.715 79.4 81.0 -88.9 -29.3 -5.8 25.6 -13.8 25 693 A Q S < S- 0 0 76 -3,-1.5 3,-0.0 1,-0.1 -4,-0.0 -0.492 95.6 -93.1 -74.8 151.2 -6.8 29.1 -12.9 26 694 A P - 0 0 110 0, 0.0 2,-1.4 0, 0.0 -1,-0.1 -0.186 44.7 -96.4 -61.0 157.7 -4.3 32.0 -13.7 27 695 A D + 0 0 33 4,-0.1 2,-0.3 -3,-0.1 3,-0.1 -0.656 62.6 161.6 -80.0 90.8 -1.9 33.0 -11.0 28 696 A S > - 0 0 45 -2,-1.4 4,-2.5 1,-0.1 5,-0.3 -0.780 52.9-115.5-109.5 160.2 -3.7 36.0 -9.5 29 697 A F H > S+ 0 0 27 -2,-0.3 4,-2.6 1,-0.2 5,-0.4 0.954 117.0 46.8 -51.9 -52.2 -3.2 37.7 -6.2 30 698 A A H > S+ 0 0 27 1,-0.2 4,-1.8 2,-0.2 192,-0.3 0.886 114.5 45.2 -63.3 -41.4 -6.7 36.6 -5.1 31 699 A A H > S+ 0 0 10 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.924 116.0 45.2 -70.6 -44.4 -6.3 33.0 -6.1 32 700 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.946 116.6 44.0 -65.7 -47.2 -2.8 32.5 -4.7 33 701 A L H X S+ 0 0 6 -4,-2.6 4,-2.5 -5,-0.3 -1,-0.2 0.887 111.2 53.5 -72.0 -33.7 -3.6 34.2 -1.4 34 702 A S H X S+ 0 0 25 -4,-1.8 4,-1.9 -5,-0.4 -1,-0.2 0.919 111.6 46.5 -65.2 -37.9 -6.9 32.4 -0.9 35 703 A S H X S+ 0 0 13 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.855 110.8 51.9 -72.4 -33.3 -5.1 29.1 -1.5 36 704 A L H X S+ 0 0 24 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.918 109.4 50.6 -68.8 -40.9 -2.3 30.0 1.0 37 705 A N H X S+ 0 0 9 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.874 110.3 49.6 -63.1 -38.3 -5.0 30.9 3.6 38 706 A E H X S+ 0 0 68 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.916 110.7 49.9 -65.6 -42.1 -6.7 27.5 3.0 39 707 A L H X S+ 0 0 8 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.887 108.9 52.4 -62.8 -39.9 -3.3 25.7 3.4 40 708 A G H X S+ 0 0 7 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.919 109.5 49.6 -61.1 -42.1 -2.7 27.7 6.6 41 709 A E H X S+ 0 0 19 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.932 114.3 43.8 -64.4 -45.9 -6.1 26.5 7.9 42 710 A R H X S+ 0 0 96 -4,-2.6 4,-1.3 1,-0.2 3,-0.2 0.926 114.4 50.2 -66.7 -41.4 -5.4 22.8 7.0 43 711 A Q H X S+ 0 0 21 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.855 101.1 62.3 -65.9 -31.1 -1.9 23.1 8.4 44 712 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.915 99.4 56.8 -62.1 -38.8 -3.3 24.6 11.6 45 713 A V H X S+ 0 0 34 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.932 110.2 43.5 -54.3 -45.0 -5.2 21.3 12.2 46 714 A H H X S+ 0 0 70 -4,-1.3 4,-2.6 2,-0.2 -1,-0.2 0.840 108.9 57.2 -71.4 -33.8 -2.0 19.3 12.0 47 715 A V H X S+ 0 0 16 -4,-2.4 4,-3.0 2,-0.2 5,-0.2 0.942 109.2 46.8 -61.0 -47.3 -0.1 21.7 14.1 48 716 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.941 114.4 44.9 -57.7 -50.3 -2.8 21.2 16.9 49 717 A K H X S+ 0 0 125 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.884 116.0 48.7 -63.6 -37.9 -2.7 17.4 16.6 50 718 A W H >< S+ 0 0 12 -4,-2.6 3,-1.2 2,-0.2 4,-0.4 0.952 110.1 49.6 -61.2 -56.3 1.1 17.4 16.5 51 719 A A H >< S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.3 6,-0.2 0.904 105.7 57.7 -55.0 -40.7 1.5 19.8 19.6 52 720 A K H 3< S+ 0 0 30 -4,-2.2 6,-0.3 1,-0.3 -1,-0.3 0.783 106.5 49.6 -62.9 -26.7 -0.9 17.6 21.6 53 721 A A T << S+ 0 0 53 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.411 87.6 112.2 -91.3 -2.4 1.4 14.6 21.1 54 722 A L S X S- 0 0 6 -3,-1.7 3,-1.7 -4,-0.4 4,-0.5 -0.480 82.8 -92.9 -73.8 142.1 4.5 16.5 22.1 55 723 A P T 3 S- 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.283 105.2 -3.2 -56.0 128.4 6.2 15.5 25.3 56 724 A G T > S+ 0 0 23 1,-0.1 3,-0.9 -4,-0.1 4,-0.1 0.287 97.7 115.3 75.8 -10.1 5.0 17.6 28.3 57 725 A F G X S+ 0 0 0 -3,-1.7 3,-1.6 1,-0.2 -5,-0.1 0.878 71.0 54.3 -63.9 -40.9 2.7 19.8 26.2 58 726 A R G 3 S+ 0 0 128 -4,-0.5 -1,-0.2 1,-0.3 4,-0.1 0.672 93.6 72.5 -69.8 -14.6 -0.6 18.6 27.8 59 727 A N G < S+ 0 0 110 -3,-0.9 2,-0.3 2,-0.1 -1,-0.3 0.479 81.9 93.8 -75.9 0.5 0.8 19.5 31.2 60 728 A L S < S- 0 0 4 -3,-1.6 5,-0.1 -4,-0.1 96,-0.1 -0.684 96.4 -89.7 -89.0 151.2 0.4 23.1 30.2 61 729 A H >> - 0 0 82 -2,-0.3 4,-2.1 1,-0.1 3,-1.4 -0.314 38.7-119.2 -54.1 133.8 -2.8 25.0 31.2 62 730 A V H 3> S+ 0 0 41 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.852 115.3 51.5 -44.7 -46.5 -5.3 24.5 28.3 63 731 A D H 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.787 109.8 49.7 -61.8 -31.1 -5.4 28.3 27.7 64 732 A D H <> S+ 0 0 5 -3,-1.4 4,-2.6 2,-0.2 5,-0.2 0.820 107.3 55.4 -75.5 -31.0 -1.6 28.4 27.5 65 733 A Q H X S+ 0 0 22 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.904 110.5 44.8 -65.2 -45.3 -1.8 25.5 25.1 66 734 A M H X S+ 0 0 7 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.941 112.4 53.5 -62.0 -47.6 -4.1 27.6 22.9 67 735 A A H X S+ 0 0 13 -4,-2.1 4,-2.4 1,-0.2 5,-0.3 0.928 107.7 46.3 -56.9 -55.3 -1.9 30.7 23.3 68 736 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.890 115.8 47.8 -59.3 -35.8 1.4 29.1 22.2 69 737 A I H X S+ 0 0 1 -4,-1.4 4,-1.5 -5,-0.2 -2,-0.2 0.937 112.2 48.4 -67.6 -47.7 -0.3 27.5 19.2 70 738 A Q H < S+ 0 0 10 -4,-3.0 4,-0.2 1,-0.2 -2,-0.2 0.843 119.6 40.1 -62.9 -32.9 -2.1 30.8 18.2 71 739 A Y H < S+ 0 0 19 -4,-2.4 4,-0.3 -5,-0.2 3,-0.2 0.834 120.7 38.0 -84.0 -33.1 1.2 32.8 18.5 72 740 A S H X S+ 0 0 5 -4,-2.4 4,-2.4 -5,-0.3 5,-0.2 0.521 82.1 95.5-107.1 -2.1 3.7 30.4 17.0 73 741 A W H X S+ 0 0 7 -4,-1.5 4,-3.1 1,-0.2 5,-0.3 0.873 84.1 55.7 -56.3 -40.4 2.0 28.7 14.1 74 742 A M H > S+ 0 0 20 -3,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.964 111.4 42.8 -58.6 -51.2 3.4 31.2 11.6 75 743 A G H > S+ 0 0 5 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.894 114.9 50.5 -59.9 -42.6 7.0 30.5 12.6 76 744 A L H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.938 112.0 45.9 -60.7 -50.5 6.4 26.8 12.8 77 745 A M H X S+ 0 0 19 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.847 113.1 49.7 -65.6 -36.2 4.8 26.6 9.3 78 746 A V H X S+ 0 0 9 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.896 111.1 49.2 -66.9 -42.2 7.5 28.8 7.7 79 747 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.964 114.2 45.7 -62.3 -49.1 10.3 26.7 9.2 80 748 A A H X S+ 0 0 13 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.873 112.0 50.6 -59.9 -42.4 8.7 23.5 8.1 81 749 A M H X S+ 0 0 4 -4,-1.9 4,-2.4 1,-0.2 14,-0.4 0.866 107.6 54.6 -68.0 -32.8 8.0 24.9 4.6 82 750 A G H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.879 107.6 50.3 -67.7 -34.8 11.7 26.0 4.3 83 751 A W H X S+ 0 0 42 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.923 111.6 47.4 -66.4 -45.5 12.7 22.4 5.1 84 752 A R H X S+ 0 0 63 -4,-2.0 4,-2.5 2,-0.2 5,-0.4 0.835 111.5 50.9 -61.3 -42.6 10.4 21.0 2.4 85 753 A S H X S+ 0 0 0 -4,-2.4 6,-2.8 2,-0.2 4,-1.7 0.903 111.7 48.2 -61.8 -41.5 11.7 23.5 -0.0 86 754 A F H X S+ 0 0 48 -4,-2.1 4,-0.8 4,-0.3 -2,-0.2 0.948 119.1 37.3 -64.1 -48.5 15.3 22.6 0.8 87 755 A T H < S+ 0 0 73 -4,-2.6 -2,-0.2 2,-0.1 -1,-0.2 0.801 124.2 38.5 -75.8 -30.4 14.7 18.8 0.5 88 756 A N H < S+ 0 0 84 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.771 136.8 8.9 -92.5 -33.6 12.2 18.8 -2.5 89 757 A V H >< S- 0 0 33 -4,-1.7 3,-2.4 -5,-0.4 4,-0.2 0.108 98.9-108.6-139.1 21.5 13.6 21.5 -4.8 90 758 A N T 3< S- 0 0 111 -4,-0.8 -4,-0.3 1,-0.3 -3,-0.1 0.845 73.7 -65.3 50.4 39.2 16.9 22.4 -3.2 91 759 A S T 3 S+ 0 0 3 -6,-2.8 -1,-0.3 2,-0.2 -5,-0.2 0.576 110.0 122.3 61.3 14.8 15.5 25.8 -2.1 92 760 A R S < S+ 0 0 187 -3,-2.4 2,-0.3 -7,-0.4 -2,-0.1 0.758 81.2 14.8 -78.0 -26.7 15.1 26.8 -5.7 93 761 A M S S- 0 0 68 -8,-0.3 2,-0.8 -4,-0.2 -2,-0.2 -0.941 88.7-100.5-139.9 165.0 11.4 27.3 -5.2 94 762 A L E -A 102 0A 0 8,-1.6 8,-2.5 -2,-0.3 2,-1.7 -0.788 29.6-157.1 -95.2 111.9 9.1 27.6 -2.2 95 763 A Y E +A 101 0A 51 -2,-0.8 6,-0.2 -14,-0.4 -11,-0.1 -0.530 29.3 157.4 -90.2 72.9 7.4 24.3 -1.6 96 764 A F E S- 0 0 19 -2,-1.7 -1,-0.2 4,-0.6 5,-0.2 0.937 73.9 -23.9 -59.4 -45.9 4.3 25.4 0.3 97 765 A A E > -A 100 0A 1 3,-1.3 3,-2.2 -3,-0.3 -1,-0.2 -0.963 68.1 -97.6-160.8 163.4 2.5 22.2 -0.8 98 766 A P T 3 S+ 0 0 57 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.850 128.6 38.4 -57.7 -33.4 2.6 19.6 -3.6 99 767 A D T 3 S+ 0 0 33 1,-0.2 2,-0.1 -4,-0.1 -81,-0.1 0.155 118.4 51.9 -99.9 14.5 -0.2 21.5 -5.4 100 768 A L E < +A 97 0A 0 -3,-2.2 -3,-1.3 2,-0.0 -4,-0.6 -0.522 62.7 156.6-153.3 75.6 1.1 25.0 -4.5 101 769 A V E -A 95 0A 31 -3,-0.2 2,-0.5 -5,-0.2 -6,-0.2 -0.908 33.2-138.8-103.9 126.2 4.7 25.5 -5.4 102 770 A F E +A 94 0A 0 -8,-2.5 -8,-1.6 -2,-0.5 2,-0.2 -0.786 21.7 179.9 -91.3 127.0 5.8 29.2 -5.9 103 771 A N > - 0 0 68 -2,-0.5 4,-2.3 -10,-0.2 5,-0.2 -0.462 52.1 -79.8-100.9-175.5 8.1 30.1 -8.7 104 772 A E H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.912 130.5 52.7 -53.5 -50.5 9.4 33.6 -9.5 105 773 A Y H > S+ 0 0 126 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.923 111.5 45.7 -54.6 -46.7 6.2 34.6 -11.2 106 774 A R H > S+ 0 0 22 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.879 107.0 58.8 -66.2 -36.0 4.0 33.5 -8.2 107 775 A M H <>S+ 0 0 2 -4,-2.3 5,-0.8 2,-0.2 -1,-0.2 0.915 112.8 40.0 -58.0 -42.5 6.3 35.3 -5.8 108 776 A H H ><5S+ 0 0 126 -4,-2.0 3,-1.7 1,-0.2 5,-0.2 0.928 114.6 51.2 -69.7 -47.0 5.7 38.5 -7.7 109 777 A K H 3<5S+ 0 0 64 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.802 101.9 61.8 -63.3 -30.9 2.0 37.9 -8.2 110 778 A S T 3<5S- 0 0 0 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.559 103.4-133.2 -69.2 -13.6 1.5 37.1 -4.4 111 779 A R T < 5S+ 0 0 158 -3,-1.7 -3,-0.1 -4,-0.2 -2,-0.1 0.606 88.1 91.4 64.9 14.7 2.6 40.7 -3.8 112 780 A M >< + 0 0 11 -5,-0.8 4,-2.4 1,-0.1 5,-0.2 -0.292 39.6 137.3-129.2 51.3 5.0 39.4 -1.1 113 781 A Y H > S+ 0 0 83 -5,-0.2 4,-2.5 2,-0.2 5,-0.2 0.914 71.6 51.5 -65.8 -46.0 8.1 38.9 -3.2 114 782 A S H > S+ 0 0 82 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.933 111.0 48.2 -55.0 -49.6 10.5 40.3 -0.5 115 783 A Q H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.922 110.8 51.9 -61.9 -40.3 9.0 38.0 2.1 116 784 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.899 107.2 52.8 -61.4 -39.5 9.3 35.0 -0.2 117 785 A V H X S+ 0 0 28 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.959 108.9 49.0 -59.9 -50.3 13.0 35.9 -0.9 118 786 A R H X S+ 0 0 84 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.881 110.6 51.5 -57.7 -35.4 13.6 35.9 2.9 119 787 A M H X S+ 0 0 5 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.869 108.0 52.4 -67.8 -34.5 11.9 32.5 3.2 120 788 A R H X S+ 0 0 57 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.927 107.0 51.5 -69.6 -40.0 14.1 31.2 0.4 121 789 A H H X S+ 0 0 87 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.903 109.1 51.9 -59.5 -43.3 17.2 32.4 2.3 122 790 A L H X S+ 0 0 7 -4,-1.9 4,-0.9 2,-0.2 3,-0.3 0.953 109.8 48.9 -54.3 -52.6 15.9 30.5 5.3 123 791 A S H >X S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 4,-0.6 0.907 108.4 53.6 -54.9 -43.5 15.4 27.3 3.3 124 792 A Q H >X S+ 0 0 58 -4,-2.2 4,-2.4 1,-0.3 3,-1.4 0.862 96.9 67.1 -64.3 -34.3 19.0 27.7 1.9 125 793 A E H 3X S+ 0 0 62 -4,-1.7 4,-2.7 -3,-0.3 5,-0.3 0.840 90.1 63.5 -54.9 -34.5 20.4 27.9 5.4 126 794 A F H <<>S+ 0 0 0 -4,-0.9 5,-2.0 -3,-0.9 4,-0.3 0.846 111.0 38.9 -58.7 -35.1 19.3 24.3 5.9 127 795 A G H X<5S+ 0 0 28 -3,-1.4 3,-0.6 -4,-0.6 -2,-0.2 0.926 113.9 51.6 -76.4 -51.3 21.8 23.4 3.1 128 796 A W H 3<5S+ 0 0 149 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.895 119.4 36.9 -54.5 -43.9 24.6 25.9 4.1 129 797 A L T 3<5S- 0 0 24 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.563 105.1-128.9 -85.2 -11.5 24.6 24.6 7.7 130 798 A Q T < 5 - 0 0 155 -3,-0.6 -3,-0.2 -4,-0.3 2,-0.2 0.923 30.6-158.5 60.2 47.5 24.0 21.0 6.7 131 799 A I < - 0 0 7 -5,-2.0 -1,-0.2 -6,-0.3 -5,-0.0 -0.383 7.0-136.4 -60.1 121.7 21.1 20.7 9.2 132 800 A T > - 0 0 36 -2,-0.2 4,-2.3 -3,-0.1 3,-0.3 -0.432 21.1-112.9 -75.2 156.0 20.4 17.1 10.1 133 801 A P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.898 119.2 53.4 -58.9 -35.0 16.8 15.9 10.2 134 802 A Q H > S+ 0 0 66 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.872 109.0 47.0 -64.1 -42.2 17.2 15.4 14.0 135 803 A E H > S+ 0 0 0 -3,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.859 111.3 53.5 -67.4 -36.7 18.4 19.0 14.5 136 804 A F H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 109.3 47.9 -63.2 -45.7 15.5 20.2 12.3 137 805 A L H X S+ 0 0 16 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.928 113.4 46.7 -65.8 -43.8 12.9 18.3 14.4 138 806 A C H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.883 113.4 48.2 -64.0 -39.7 14.3 19.6 17.7 139 807 A M H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.923 111.2 50.6 -67.1 -44.9 14.5 23.2 16.4 140 808 A K H X S+ 0 0 10 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.905 109.1 51.1 -60.5 -43.7 11.0 23.1 15.1 141 809 A A H >X S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 4,-0.5 0.926 107.9 53.7 -60.4 -38.6 9.7 21.7 18.4 142 810 A L H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 -1,-0.2 0.836 96.8 66.3 -66.9 -29.4 11.4 24.6 20.2 143 811 A L H >< S+ 0 0 4 -4,-1.6 3,-1.6 1,-0.3 -1,-0.2 0.787 90.4 64.2 -60.4 -28.1 9.7 27.2 18.0 144 812 A L H << S+ 0 0 0 -3,-1.0 3,-0.3 -4,-0.8 -1,-0.3 0.840 107.5 42.7 -63.7 -28.7 6.4 26.2 19.6 145 813 A F T << S+ 0 0 0 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 -0.064 92.3 90.4-107.4 29.8 7.9 27.5 22.8 146 814 A S S < S+ 0 0 6 -3,-1.6 100,-3.2 1,-0.2 2,-0.3 0.352 78.3 53.8-111.7 8.3 9.4 30.7 21.3 147 815 A I E +B 245 0B 6 -3,-0.3 -1,-0.2 98,-0.3 -76,-0.2 -0.923 58.0 147.2-146.2 124.0 6.6 33.2 21.6 148 816 A I E -B 244 0B 16 96,-2.0 96,-2.3 -2,-0.3 5,-0.0 -0.928 49.1 -79.0-147.2 163.4 4.6 34.3 24.7 149 817 A P E > -B 243 0B 19 0, 0.0 3,-1.3 0, 0.0 94,-0.3 -0.336 34.2-126.3 -65.9 151.5 2.9 37.4 26.2 150 818 A V T 3 S+ 0 0 92 92,-3.1 93,-0.1 1,-0.3 3,-0.1 0.771 114.8 56.5 -68.1 -26.2 5.1 39.9 27.9 151 819 A D T 3 S- 0 0 147 91,-0.5 -1,-0.3 1,-0.2 92,-0.1 0.493 115.6-124.8 -78.8 -5.7 2.7 39.5 30.9 152 820 A G < - 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