==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HORMONE RECEPTOR 17-APR-07 2PKL . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR E.ESTEBANEZ-PERPINA,A.A.ARNOLD,J.D.BAXTER,K.R.GUY,P.WEBB, . 253 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12519.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 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 3.6 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 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 140 55.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 0 1 1 0 0 2 0 0 1 0 0 0 2 1 0 1 0 0 0 1 0 0 1 0 0 0 0 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 1 670 A Q 0 0 204 0, 0.0 2,-0.8 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.6 8.9 26.6 24.8 2 671 A P > + 0 0 73 0, 0.0 4,-1.9 0, 0.0 5,-0.1 -0.222 360.0 131.7 -87.7 44.9 10.8 24.9 21.9 3 672 A I H > S+ 0 0 114 -2,-0.8 4,-2.1 2,-0.2 5,-0.1 0.965 75.3 48.5 -57.5 -50.4 14.2 25.1 23.5 4 673 A F H > S+ 0 0 19 -3,-0.4 4,-2.2 1,-0.2 -1,-0.2 0.911 111.9 44.9 -56.0 -53.9 14.8 21.4 22.7 5 674 A L H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.848 108.9 61.5 -62.1 -30.9 13.7 21.5 19.1 6 675 A N H X S+ 0 0 91 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.966 106.5 43.8 -56.4 -53.7 15.8 24.6 18.8 7 676 A V H X S+ 0 0 43 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.895 113.2 50.9 -58.7 -45.4 18.9 22.7 19.7 8 677 A L H X S+ 0 0 2 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.883 111.1 47.4 -63.2 -39.9 18.0 19.7 17.4 9 678 A E H < S+ 0 0 108 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.829 115.1 47.4 -70.8 -31.5 17.4 22.0 14.4 10 679 A A H < S+ 0 0 84 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.879 114.1 43.1 -77.3 -40.8 20.7 23.8 15.1 11 680 A I H < S+ 0 0 39 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.408 80.5 129.7 -88.6 2.6 23.0 20.9 15.6 12 681 A E < - 0 0 62 -4,-0.5 -3,-0.0 -3,-0.2 -4,-0.0 -0.403 67.1-108.4 -62.8 124.3 21.6 18.9 12.7 13 682 A P - 0 0 43 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.235 32.0-135.5 -55.7 132.5 24.5 17.6 10.5 14 683 A G - 0 0 58 1,-0.2 31,-0.0 -3,-0.1 2,-0.0 0.012 45.7 -49.7 -75.7-169.3 24.9 19.3 7.1 15 684 A V - 0 0 116 1,-0.0 2,-0.4 81,-0.0 -1,-0.2 -0.314 52.5-162.3 -64.9 144.1 25.5 17.6 3.8 16 685 A V - 0 0 23 -3,-0.1 2,-0.3 -2,-0.0 26,-0.1 -0.990 6.8-147.0-133.9 124.8 28.4 15.1 3.5 17 686 A C - 0 0 66 -2,-0.4 24,-0.1 79,-0.2 79,-0.0 -0.692 7.7-147.7 -91.5 142.9 30.0 13.9 0.3 18 687 A A - 0 0 1 -2,-0.3 -1,-0.1 2,-0.1 3,-0.1 0.627 35.6-123.8 -82.1 -13.9 31.4 10.3 0.0 19 688 A G + 0 0 49 1,-0.2 2,-0.3 18,-0.1 -2,-0.0 0.739 51.4 166.3 76.1 23.0 34.2 11.4 -2.3 20 689 A H - 0 0 14 14,-0.1 2,-1.4 1,-0.1 -1,-0.2 -0.551 38.6-134.6 -75.7 133.4 32.9 8.9 -4.9 21 690 A D > - 0 0 80 -2,-0.3 3,-3.0 1,-0.1 2,-0.9 -0.687 15.1-166.6 -88.6 87.6 34.4 9.3 -8.3 22 691 A N T 3 S+ 0 0 83 -2,-1.4 -1,-0.1 1,-0.3 4,-0.1 0.218 80.9 77.3 -61.2 22.8 31.2 8.9 -10.4 23 692 A N T 3 S+ 0 0 130 -2,-0.9 -1,-0.3 2,-0.1 3,-0.0 0.630 77.3 84.9-102.0 -24.4 33.6 8.5 -13.3 24 693 A Q S < S- 0 0 111 -3,-3.0 3,-0.1 1,-0.1 -4,-0.0 -0.605 93.8-100.9 -82.4 135.7 34.4 4.9 -12.4 25 694 A P - 0 0 104 0, 0.0 2,-1.6 0, 0.0 5,-0.2 -0.281 46.1 -98.8 -56.2 137.8 32.2 2.1 -13.6 26 695 A D + 0 0 35 -4,-0.1 2,-0.2 4,-0.1 3,-0.0 -0.394 63.5 161.2 -61.3 87.5 29.8 1.0 -10.8 27 696 A S > - 0 0 52 -2,-1.6 4,-2.1 1,-0.1 5,-0.2 -0.599 51.6-109.8-104.1 170.1 31.7 -2.1 -9.6 28 697 A F H > S+ 0 0 20 -2,-0.2 4,-2.5 2,-0.2 5,-0.4 0.983 116.6 46.0 -61.9 -57.8 31.4 -3.9 -6.3 29 698 A A H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 192,-0.3 0.860 115.1 46.9 -53.7 -42.5 34.7 -2.8 -4.9 30 699 A A H > S+ 0 0 24 2,-0.2 4,-1.5 -5,-0.2 -1,-0.2 0.903 113.3 47.2 -70.1 -41.9 34.3 0.8 -6.0 31 700 A L H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.971 117.2 40.8 -65.0 -53.6 30.7 1.2 -4.6 32 701 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.889 111.4 55.8 -64.4 -39.6 31.4 -0.4 -1.2 33 702 A S H X S+ 0 0 28 -4,-1.9 4,-1.6 -5,-0.4 -1,-0.2 0.886 109.7 48.5 -60.0 -35.7 34.8 1.3 -0.8 34 703 A S H X S+ 0 0 17 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.841 109.8 50.6 -72.6 -34.2 32.9 4.6 -1.3 35 704 A L H X S+ 0 0 24 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.849 108.9 52.6 -70.5 -34.2 30.2 3.7 1.2 36 705 A N H X S+ 0 0 12 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.898 110.7 46.8 -67.4 -38.0 32.9 2.8 3.7 37 706 A E H X S+ 0 0 68 -4,-1.6 4,-3.2 2,-0.2 5,-0.3 0.944 112.2 50.5 -65.9 -47.8 34.5 6.3 3.1 38 707 A L H X S+ 0 0 8 -4,-2.6 4,-3.7 1,-0.2 5,-0.3 0.925 112.0 48.0 -53.4 -48.4 31.0 7.8 3.5 39 708 A G H X S+ 0 0 9 -4,-2.9 4,-1.6 2,-0.2 -1,-0.2 0.910 111.9 48.2 -61.1 -45.4 30.5 5.9 6.7 40 709 A E H X S+ 0 0 25 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.957 118.0 41.6 -59.7 -51.1 33.9 6.9 8.1 41 710 A R H >X S+ 0 0 94 -4,-3.2 4,-1.1 1,-0.2 3,-1.1 0.941 115.2 49.0 -60.7 -51.3 33.3 10.6 7.2 42 711 A Q H 3X S+ 0 0 25 -4,-3.7 4,-2.0 -5,-0.3 -1,-0.2 0.761 102.8 64.8 -63.3 -22.1 29.7 10.6 8.3 43 712 A L H 3X S+ 0 0 2 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.3 0.852 96.1 57.2 -68.8 -33.0 30.9 9.0 11.5 44 713 A V H < S+ 0 0 10 -4,-3.0 3,-1.4 2,-0.2 4,-0.4 0.970 110.8 45.6 -58.4 -57.4 26.3 15.9 16.7 50 719 A A H >< S+ 0 0 0 -4,-2.6 3,-2.3 1,-0.3 6,-0.2 0.909 107.5 55.2 -54.0 -52.5 25.9 13.6 19.7 51 720 A K T 3< S+ 0 0 41 -4,-1.9 -1,-0.3 1,-0.3 6,-0.2 0.609 108.8 52.7 -60.1 -10.2 28.3 15.5 22.0 52 721 A A T < S+ 0 0 45 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.489 84.7 109.2-101.9 -8.1 26.0 18.5 21.2 53 722 A L S X> S- 0 0 5 -3,-2.3 3,-1.7 -4,-0.4 4,-0.5 -0.411 86.7 -90.2 -69.4 143.3 22.8 16.7 22.2 54 723 A P T 34 S- 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.270 107.7 -1.9 -54.1 137.6 21.2 18.0 25.4 55 724 A G T 3> S+ 0 0 32 1,-0.1 4,-0.6 -3,-0.1 3,-0.4 0.330 96.5 116.4 64.8 -6.1 22.5 16.0 28.4 56 725 A F T X4 S+ 0 0 0 -3,-1.7 3,-1.4 1,-0.2 -1,-0.1 0.910 70.4 55.7 -60.9 -44.5 24.7 13.7 26.3 57 726 A R T 3< S+ 0 0 152 -4,-0.5 -1,-0.2 1,-0.3 7,-0.1 0.823 96.6 66.6 -57.8 -32.9 28.0 14.9 27.9 58 727 A N T 34 S+ 0 0 123 -3,-0.4 -1,-0.3 99,-0.1 -2,-0.2 0.784 81.6 93.5 -60.1 -29.3 26.7 14.0 31.4 59 728 A L S << S- 0 0 4 -3,-1.4 96,-0.1 -4,-0.6 5,-0.1 -0.244 99.2 -81.4 -58.9 156.9 26.7 10.3 30.5 60 729 A H > - 0 0 64 94,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.255 39.2-116.2 -60.6 151.0 29.9 8.6 31.5 61 730 A V H > S+ 0 0 85 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.881 113.8 45.9 -56.5 -44.1 32.8 9.0 29.0 62 731 A D H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 112.0 50.2 -67.8 -44.3 33.0 5.3 28.1 63 732 A D H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.863 105.6 58.8 -62.6 -33.7 29.2 4.9 27.7 64 733 A Q H X S+ 0 0 8 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.923 109.2 43.4 -60.0 -43.2 29.3 8.0 25.5 65 734 A M H X S+ 0 0 27 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.841 114.5 51.2 -70.6 -34.8 31.8 6.2 23.1 66 735 A A H X S+ 0 0 16 -4,-2.1 4,-2.1 2,-0.2 5,-0.3 0.953 105.5 51.5 -69.2 -53.3 29.8 2.9 23.3 67 736 A V H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.832 113.4 47.5 -55.7 -32.4 26.3 4.3 22.4 68 737 A I H X S+ 0 0 5 -4,-1.1 4,-1.0 -5,-0.3 -1,-0.2 0.921 112.2 48.4 -73.2 -46.0 27.8 5.9 19.4 69 738 A Q H < S+ 0 0 37 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.725 117.2 42.6 -67.2 -23.1 29.7 2.8 18.3 70 739 A Y H < S+ 0 0 16 -4,-2.1 3,-0.3 76,-0.2 4,-0.3 0.885 121.5 35.5 -90.5 -41.6 26.6 0.7 18.7 71 740 A S H X S+ 0 0 6 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.296 84.2 98.7 -97.3 11.0 24.0 2.9 17.2 72 741 A W H X S+ 0 0 10 -4,-1.0 4,-2.8 2,-0.2 5,-0.3 0.923 81.9 54.7 -64.2 -40.4 25.8 4.6 14.3 73 742 A M H > S+ 0 0 20 -3,-0.3 4,-2.4 1,-0.2 5,-0.2 0.956 110.6 43.8 -55.5 -56.4 24.5 2.2 11.7 74 743 A G H > S+ 0 0 5 -4,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.817 114.4 51.8 -59.8 -34.0 20.8 2.8 12.6 75 744 A L H X S+ 0 0 6 -4,-1.7 4,-2.5 2,-0.2 5,-0.3 0.962 111.8 43.4 -68.3 -54.1 21.4 6.6 12.8 76 745 A M H X S+ 0 0 18 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.878 115.8 50.0 -59.2 -39.4 23.1 6.9 9.4 77 746 A V H X S+ 0 0 11 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.915 110.6 49.1 -65.6 -44.9 20.5 4.7 7.9 78 747 A F H X S+ 0 0 0 -4,-2.1 4,-1.3 -5,-0.2 -2,-0.2 0.952 115.1 44.0 -60.0 -50.1 17.5 6.6 9.4 79 748 A A H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 3,-0.4 0.922 110.5 56.4 -61.3 -45.4 18.9 9.9 8.2 80 749 A M H X S+ 0 0 4 -4,-2.6 4,-2.1 1,-0.3 5,-0.2 0.966 105.4 50.3 -51.7 -57.0 19.7 8.4 4.8 81 750 A G H X S+ 0 0 1 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.803 108.7 53.9 -52.2 -31.4 16.1 7.4 4.3 82 751 A W H X S+ 0 0 42 -4,-1.3 4,-2.7 -3,-0.4 5,-0.3 0.949 107.4 49.1 -69.0 -46.5 15.1 10.9 5.2 83 752 A R H X S+ 0 0 58 -4,-2.4 4,-1.2 1,-0.2 5,-0.4 0.832 111.0 51.7 -59.3 -34.2 17.4 12.4 2.6 84 753 A S H < S+ 0 0 0 -4,-2.1 6,-2.3 -5,-0.2 5,-0.3 0.872 112.9 44.6 -71.4 -38.4 16.0 10.0 0.1 85 754 A F H X S+ 0 0 58 -4,-1.7 4,-0.5 4,-0.3 -2,-0.2 0.985 116.4 42.6 -68.7 -61.0 12.4 11.0 0.9 86 755 A T H < S+ 0 0 67 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.733 131.6 24.3 -58.8 -23.7 12.9 14.8 1.0 87 756 A N T < S+ 0 0 85 -4,-1.2 2,-0.2 -5,-0.3 -3,-0.2 0.605 128.3 24.0-106.9-102.7 15.0 14.5 -2.2 88 757 A V T >4 S- 0 0 15 -5,-0.4 3,-1.5 1,-0.2 4,-0.3 0.386 101.7-116.2 -51.9 9.2 14.9 11.7 -4.8 89 758 A N T 3< - 0 0 102 -4,-0.5 -4,-0.3 -5,-0.3 -1,-0.2 0.656 59.3 -70.2 62.2 18.4 11.4 11.2 -3.5 90 759 A S T 3 S+ 0 0 9 -6,-2.3 -1,-0.3 2,-0.3 33,-0.2 0.308 111.8 112.6 83.1 -7.0 12.3 7.7 -2.3 91 760 A R S < S+ 0 0 150 -3,-1.5 2,-0.3 -7,-0.2 -2,-0.1 0.854 88.9 16.5 -63.1 -33.4 12.6 6.3 -5.9 92 761 A M S S- 0 0 54 -4,-0.3 2,-0.9 -8,-0.2 -2,-0.3 -0.827 90.0 -98.8-133.1 170.2 16.3 5.9 -5.2 93 762 A L E -A 101 0A 0 8,-1.3 8,-2.1 -2,-0.3 2,-1.9 -0.805 27.2-155.4 -99.7 101.3 18.6 5.9 -2.1 94 763 A Y E +A 100 0A 48 -2,-0.9 6,-0.2 -14,-0.2 -11,-0.1 -0.492 28.6 159.1 -75.3 79.5 20.3 9.3 -1.6 95 764 A F E S- 0 0 20 -2,-1.9 -1,-0.2 4,-0.8 5,-0.2 0.933 70.9 -22.1 -67.3 -48.1 23.4 8.3 0.3 96 765 A A E > S-A 99 0A 1 3,-1.0 3,-2.6 -3,-0.2 -1,-0.3 -0.959 70.7 -99.7-157.2 156.3 25.4 11.4 -0.5 97 766 A P T 3 S+ 0 0 55 0, 0.0 3,-0.3 0, 0.0 -80,-0.1 0.870 127.2 42.6 -51.4 -35.4 25.2 13.9 -3.3 98 767 A D T 3 S+ 0 0 24 1,-0.2 2,-0.1 -4,-0.1 -76,-0.1 0.288 116.8 49.5 -94.5 9.5 28.0 12.1 -5.1 99 768 A L E < +A 96 0A 0 -3,-2.6 -3,-1.0 2,-0.0 -4,-0.8 -0.536 62.9 158.7-151.0 77.9 26.7 8.6 -4.4 100 769 A V E -A 94 0A 32 -3,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.904 32.5-137.0-105.1 124.4 23.0 8.1 -5.2 101 770 A F E -A 93 0A 0 -8,-2.1 -8,-1.3 -2,-0.5 2,-0.2 -0.644 21.7-179.1 -87.0 137.5 22.0 4.5 -5.8 102 771 A N > - 0 0 60 -2,-0.3 4,-2.1 -10,-0.2 5,-0.2 -0.571 51.9 -81.6-116.3-177.7 19.7 3.4 -8.6 103 772 A E H > S+ 0 0 103 -2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.906 129.9 51.6 -53.8 -44.6 18.4 -0.1 -9.4 104 773 A Y H >> S+ 0 0 131 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.956 109.8 46.1 -59.3 -54.7 21.7 -1.0 -11.1 105 774 A R H 3> S+ 0 0 22 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.831 107.0 60.5 -59.2 -31.7 23.9 0.1 -8.3 106 775 A M H 3<>S+ 0 0 1 -4,-2.1 5,-1.1 2,-0.2 -1,-0.3 0.879 109.9 42.0 -63.1 -36.3 21.7 -1.7 -5.8 107 776 A H H X<5S+ 0 0 121 -4,-1.4 3,-1.6 -3,-0.7 5,-0.2 0.930 113.2 50.9 -75.7 -46.8 22.5 -4.9 -7.7 108 777 A K H 3<5S+ 0 0 75 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.749 101.6 62.6 -64.2 -24.3 26.2 -4.3 -8.2 109 778 A S T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.537 105.1-129.2 -77.4 -7.9 26.6 -3.5 -4.4 110 779 A R T < 5S+ 0 0 156 -3,-1.6 -3,-0.1 -4,-0.1 -2,-0.1 0.775 88.6 90.2 63.7 28.4 25.6 -7.1 -3.7 111 780 A M >< + 0 0 11 -5,-1.1 4,-1.8 2,-0.1 5,-0.2 -0.256 38.3 140.2-145.6 49.8 23.0 -5.9 -1.2 112 781 A Y H > S+ 0 0 88 -5,-0.2 4,-1.8 1,-0.2 5,-0.1 0.942 71.8 52.0 -61.7 -49.7 19.9 -5.4 -3.2 113 782 A S H > S+ 0 0 73 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.922 109.3 49.3 -55.6 -47.4 17.5 -6.8 -0.6 114 783 A Q H > S+ 0 0 25 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.896 108.6 53.8 -58.5 -42.5 18.8 -4.5 2.1 115 784 A C H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.835 105.2 55.3 -60.8 -34.1 18.5 -1.5 -0.1 116 785 A V H X S+ 0 0 30 -4,-1.8 4,-2.5 -3,-0.3 -1,-0.2 0.946 107.3 48.4 -64.9 -46.1 14.9 -2.5 -0.7 117 786 A R H X S+ 0 0 95 -4,-1.9 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0.867 119.2 37.9 -46.2 -47.0 3.1 7.4 4.3 128 797 A L T 3<5S- 0 0 20 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.546 103.5-132.2 -84.9 -8.7 3.2 8.6 7.9 129 798 A Q T < 5 - 0 0 154 -3,-1.4 2,-0.4 -5,-0.3 -3,-0.2 0.945 28.6-160.4 54.6 50.9 3.7 12.3 6.9 130 799 A I < - 0 0 7 -5,-1.9 -1,-0.2 -6,-0.2 -2,-0.0 -0.490 7.7-138.3 -65.6 116.5 6.5 12.6 9.4 131 800 A T > - 0 0 52 -2,-0.4 4,-2.1 -3,-0.2 3,-0.4 -0.374 23.5-107.2 -73.8 158.1 7.1 16.2 10.0 132 801 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.838 120.1 54.6 -54.7 -34.1 10.7 17.5 10.3 133 802 A Q H > S+ 0 0 65 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.923 107.5 49.7 -67.5 -40.6 10.4 18.0 14.0 134 803 A E H > S+ 0 0 7 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.904 108.2 54.9 -62.5 -40.6 9.3 14.3 14.5 135 804 A F H X S+ 0 0 7 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.949 107.4 49.0 -57.1 -52.2 12.2 13.2 12.4 136 805 A L H X S+ 0 0 20 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.936 112.3 46.5 -55.8 -52.5 14.7 15.0 14.6 137 806 A C H X S+ 0 0 1 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.948 113.1 49.4 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-81.9-149.1 165.6 23.0 -1.0 24.5 148 817 A P E > -B 242 0B 18 0, 0.0 3,-1.0 0, 0.0 94,-0.3 -0.482 33.8-128.2 -74.2 140.8 25.0 -4.0 26.0 149 818 A V T 3 S+ 0 0 97 92,-3.0 93,-0.1 1,-0.3 3,-0.1 0.852 110.5 57.8 -54.9 -37.2 23.0 -6.6 27.8 150 819 A D T 3 S- 0 0 151 91,-0.5 -1,-0.3 1,-0.2 2,-0.1 0.822 115.0-120.7 -63.3 -32.2 25.4 -6.3 30.8 151 820 A G < - 0 0 23 -3,-1.0 -1,-0.2 3,-0.0 -2,-0.1 -0.274 25.0 -70.8 109.5 163.6 24.5 -2.6 31.0 152 821 A L > - 0 0 20 -2,-0.1 3,-0.8 -3,-0.1 4,-0.1 -0.291 47.9-101.2 -84.6 173.0 26.5 0.7 30.7 153 822 A K T 3 S+ 0 0 149 1,-0.3 2,-0.3 2,-0.1 3,-0.1 0.917 122.3 20.7 -61.4 -42.9 28.9 2.0 33.3 154 823 A N T 3> S+ 0 0 65 1,-0.1 4,-1.2 -94,-0.1 3,-0.3 -0.686 71.7 162.7-126.5 76.6 26.2 4.4 34.6 155 824 A Q H <> + 0 0 44 -3,-0.8 4,-3.1 -2,-0.3 5,-0.3 0.848 70.0 70.5 -61.0 -34.5 22.9 2.9 33.4 156 825 A K H > S+ 0 0 175 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.923 103.3 38.7 -49.7 -54.1 21.1 5.0 35.9 157 826 A F H > S+ 0 0 28 -3,-0.3 4,-2.2 1,-0.2 -1,-0.3 0.778 113.8 57.0 -70.9 -26.8 21.7 8.2 34.1 158 827 A F H X S+ 0 0 0 -4,-1.2 4,-3.2 2,-0.2 5,-0.3 0.943 104.7 50.3 -68.1 -48.0 21.2 6.5 30.7 159 828 A D H X S+ 0 0 87 -4,-3.1 4,-2.7 1,-0.2 -2,-0.2 0.905 114.0 46.1 -57.6 -40.2 17.7 5.3 31.6 160 829 A E H X S+ 0 0 96 -4,-1.5 4,-1.9 -5,-0.3 -1,-0.2 0.885 112.4 48.6 -70.7 -39.7 16.8 8.9 32.7 161 830 A L H X S+ 0 0 7 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.962 114.0 47.4 -65.5 -45.8 18.3 10.5 29.7 162 831 A R H X S+ 0 0 25 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.948 108.8 54.3 -57.3 -49.9 16.5 8.1 27.4 163 832 A M H X S+ 0 0 86 -4,-2.7 4,-1.9 -5,-0.3 -1,-0.2 0.861 107.5 52.0 -51.5 -41.1 13.2 8.6 29.3 164 833 A N H X S+ 0 0 56 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.930 104.8 52.2 -65.5 -47.7 13.5 12.3 28.7 165 834 A Y H X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.893 108.1 54.5 -58.1 -34.9 14.0 12.2 25.0 166 835 A I H X S+ 0 0 38 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.948 105.9 50.5 -63.5 -45.6 10.9 10.0 24.9 167 836 A K H X S+ 0 0 106 -4,-1.9 4,-3.3 1,-0.3 -2,-0.2 0.944 108.6 53.9 -54.8 -46.9 8.9 12.7 26.7 168 837 A E H X S+ 0 0 34 -4,-2.6 4,-2.4 1,-0.2 -1,-0.3 0.875 106.2 52.6 -54.3 -40.5 10.2 15.2 24.2 169 838 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.959 111.5 44.6 -60.7 -51.1 8.9 13.0 21.4 170 839 A D H X S+ 0 0 78 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.934 110.2 56.5 -57.8 -46.8 5.4 12.9 23.0 171 840 A R H < S+ 0 0 134 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.915 107.3 49.5 -51.0 -47.0 5.7 16.6 23.5 172 841 A I H >< S+ 0 0 18 -4,-2.4 3,-0.8 -5,-0.2 -1,-0.2 0.954 112.1 46.7 -58.6 -53.3 6.3 17.1 19.8 173 842 A I H 3X S+ 0 0 3 -4,-2.3 2,-2.3 1,-0.3 4,-0.6 0.960 105.3 58.4 -53.3 -59.7 3.3 14.9 18.8 174 843 A A T 3< S+ 0 0 50 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.1 -0.034 84.4 88.3 -67.0 37.9 0.8 16.5 21.2 175 844 A C T <4 S+ 0 0 97 -2,-2.3 -1,-0.2 -3,-0.8 -2,-0.1 0.014 99.4 22.5-124.2 25.7 1.4 19.9 19.6 176 845 A K T 4 S+ 0 0 184 -3,-0.5 -2,-0.2 1,-0.1 2,-0.1 0.297 107.2 81.0-158.8 -23.9 -1.2 19.7 16.8 177 846 A R < + 0 0 73 -4,-0.6 -1,-0.1 1,-0.1 0, 0.0 -0.431 41.3 178.0 -89.1 168.2 -3.7 17.1 18.0 178 847 A K + 0 0 200 -2,-0.1 -1,-0.1 -3,-0.1 -4,-0.0 0.450 55.3 92.2-137.9 -33.4 -6.6 17.7 20.4 179 848 A N S > S- 0 0 97 1,-0.1 4,-1.1 2,-0.0 5,-0.2 -0.224 73.3-132.5 -67.7 155.2 -8.2 14.3 20.5 180 849 A P H > S+ 0 0 119 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.812 110.9 43.5 -77.4 -30.8 -7.3 11.6 23.1 181 850 A T H > S+ 0 0 96 2,-0.1 4,-2.8 3,-0.1 5,-0.3 0.836 106.5 62.0 -81.0 -37.8 -7.1 9.0 20.2 182 851 A S H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.960 108.9 37.3 -55.0 -62.3 -5.2 11.3 17.8 183 852 A C H X S+ 0 0 27 -4,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.873 116.8 56.2 -59.5 -38.8 -2.0 11.8 19.8 184 853 A S H X S+ 0 0 80 -4,-0.8 4,-1.3 1,-0.2 -2,-0.2 0.930 108.9 42.9 -61.1 -50.3 -2.2 8.2 21.0 185 854 A R H X S+ 0 0 159 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.832 110.3 57.4 -67.8 -32.4 -2.2 6.6 17.6 186 855 A R H X S+ 0 0 15 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.944 104.9 50.8 -62.6 -45.3 0.5 8.9 16.3 187 856 A F H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.849 107.5 55.3 -58.8 -36.1 2.8 7.8 19.1 188 857 A Y H X S+ 0 0 126 -4,-1.3 4,-1.1 2,-0.2 -1,-0.2 0.898 106.6 49.3 -64.4 -43.5 2.1 4.2 18.1 189 858 A Q H X S+ 0 0 53 -4,-1.9 4,-3.0 2,-0.2 3,-0.4 0.965 114.2 44.5 -61.5 -52.9 3.1 4.8 14.5 190 859 A L H X S+ 0 0 0 -4,-2.1 4,-3.4 1,-0.2 5,-0.2 0.919 109.5 52.7 -60.0 -49.9 6.4 6.5 15.4 191 860 A T H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 56,-0.4 0.809 114.6 46.1 -58.0 -27.5 7.5 4.0 18.1 192 861 A K H X S+ 0 0 87 -4,-1.1 4,-2.7 -3,-0.4 -2,-0.2 0.918 108.9 53.0 -78.3 -47.4 6.9 1.3 15.5 193 862 A L H < S+ 0 0 6 -4,-3.0 4,-0.4 1,-0.2 -2,-0.2 0.920 111.2 49.3 -52.2 -43.9 8.8 3.3 12.8 194 863 A L H >X S+ 0 0 5 -4,-3.4 3,-1.7 1,-0.2 4,-0.7 0.944 108.8 50.5 -61.7 -49.7 11.6 3.5 15.3 195 864 A D H >< S+ 0 0 15 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.876 102.5 62.0 -56.3 -40.1 11.6 -0.3 16.0 196 865 A S T 3X S+ 0 0 46 -4,-2.7 4,-0.7 1,-0.2 -1,-0.3 0.627 91.7 66.5 -63.7 -13.6 11.6 -1.1 12.3 197 866 A V H <> S+ 0 0 0 -3,-1.7 4,-2.7 -4,-0.4 -1,-0.2 0.857 92.0 64.2 -73.8 -36.8 15.0 0.6 12.0 198 867 A Q H S+ 0 0 42 0, 0.0 4,-0.9 0, 0.0 -1,-0.2 0.855 113.9 49.2 -56.0 -35.2 16.1 -5.1 11.9 200 869 A I H >X S+ 0 0 8 -4,-0.7 4,-1.7 2,-0.2 3,-1.0 0.955 109.9 49.0 -68.5 -50.4 17.5 -3.2 9.0 201 870 A A H 3X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.3 -1,-0.2 0.899 107.7 57.6 -55.1 -41.1 20.6 -2.0 10.9 202 871 A R H 3X S+ 0 0 102 -4,-2.7 4,-1.7 1,-0.2 -1,-0.3 0.781 104.0 51.2 -62.4 -29.3 21.1 -5.6 12.0 203 872 A E H < S+ 0 0 25 -4,-2.5 3,-2.1 1,-0.2 4,-0.3 0.948 106.6 53.2 -63.8 -49.7 35.2 -6.8 6.3 213 882 A I H 3< S+ 0 0 116 -4,-2.1 3,-0.4 1,-0.3 -2,-0.2 0.896 120.3 32.9 -52.2 -47.2 36.4 -10.4 6.9 214 883 A K T 3X S+ 0 0 103 -4,-2.0 4,-1.4 1,-0.2 -1,-0.3 -0.071 85.7 119.6-102.5 33.3 36.8 -11.0 3.1 215 884 A S T <4>S+ 0 0 13 -3,-2.1 5,-2.7 1,-0.2 4,-0.4 0.858 76.1 46.1 -65.2 -39.5 37.7 -7.4 2.4 216 885 A H T 45S+ 0 0 173 -3,-0.4 -1,-0.2 -4,-0.3 3,-0.2 0.794 108.8 57.0 -75.4 -27.2 41.1 -8.4 0.9 217 886 A M T 45S+ 0 0 150 1,-0.2 -2,-0.2 -4,-0.1 -1,-0.2 0.813 118.1 32.3 -71.1 -31.1 39.5 -11.2 -1.1 218 887 A V T <5S- 0 0 33 -4,-1.4 -1,-0.2 -7,-0.2 -2,-0.2 0.320 109.5-116.7-108.7 7.3 37.2 -8.7 -2.8 219 888 A S T 5 + 0 0 84 -4,-0.4 2,-0.5 1,-0.2 -3,-0.2 0.906 60.2 150.6 59.5 45.7 39.4 -5.6 -2.8 220 889 A V < - 0 0 3 -5,-2.7 2,-0.4 -9,-0.2 -1,-0.2 -0.941 34.5-145.4-111.4 128.6 37.2 -3.5 -0.5 221 890 A D - 0 0 114 -2,-0.5 -185,-0.2 -192,-0.3 -184,-0.1 -0.789 7.9-162.0-100.0 132.0 38.9 -0.9 1.7 222 891 A F - 0 0 30 -2,-0.4 5,-0.1 -10,-0.1 -189,-0.1 -0.942 24.0-121.5-111.8 123.0 37.8 0.0 5.1 223 892 A P > - 0 0 22 0, 0.0 4,-2.5 0, 0.0 5,-0.3 -0.084 37.8 -91.7 -56.5 161.3 39.0 3.3 6.7 224 893 A E H > S+ 0 0 126 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.882 122.0 32.2 -38.0 -66.4 40.9 3.3 9.9 225 894 A M H > S+ 0 0 25 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.879 114.5 57.6 -66.4 -42.7 38.0 3.7 12.4 226 895 A M H > S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.897 109.8 46.7 -56.6 -39.9 35.3 1.9 10.3 227 896 A A H X S+ 0 0 29 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.914 112.7 49.2 -69.2 -41.5 37.5 -1.2 10.4 228 897 A E H X S+ 0 0 107 -4,-1.7 4,-0.9 -5,-0.3 5,-0.3 0.873 114.2 44.9 -65.6 -38.8 38.2 -0.9 14.1 229 898 A I H X>S+ 0 0 11 -4,-2.8 4,-2.2 2,-0.2 5,-1.7 0.909 110.3 52.1 -73.3 -43.5 34.5 -0.5 15.0 230 899 A I H <5S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.799 114.3 44.4 -65.5 -26.6 33.2 -3.2 12.8 231 900 A S H <5S+ 0 0 66 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.642 125.9 27.9 -92.6 -16.3 35.7 -5.7 14.3 232 901 A V H <5S+ 0 0 69 -4,-0.9 4,-0.2 -3,-0.4 -3,-0.2 0.784 131.5 23.6-111.7 -43.8 35.3 -4.8 17.9 233 902 A Q T >X5S+ 0 0 21 -4,-2.2 3,-1.9 -5,-0.3 4,-1.0 0.922 116.0 56.0 -90.8 -53.6 31.8 -3.4 18.5 234 903 A V H >> S+ 0 0 37 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.796 98.9 57.7 -55.8 -28.4 30.6 -8.4 16.7 236 905 A K H <4>S+ 0 0 60 -3,-1.9 5,-2.5 -4,-0.2 6,-1.7 0.850 108.3 46.4 -71.1 -32.8 29.1 -7.8 20.1 237 906 A I H X<5S+ 0 0 9 -3,-1.1 3,-1.2 -4,-1.0 -1,-0.2 0.925 113.8 46.3 -72.8 -46.8 25.7 -7.0 18.5 238 907 A L H 3<5S+ 0 0 31 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.790 114.3 49.2 -66.3 -27.3 25.9 -10.0 16.2 239 908 A S T 3<5S- 0 0 76 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.395 117.4-114.4 -91.8 0.9 26.8 -12.2 19.1 240 909 A G T < 5S+ 0 0 32 -3,-1.2 -3,-0.2 2,-0.3 -91,-0.1 0.569 85.5 116.7 79.9 8.4 24.0 -10.8 21.2 241 910 A K S 0 0 179 0, 0.0 3,-1.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.3 39.6 8.9 22.0 252 925 B L T 3 + 0 0 132 1,-0.3 2,-0.2 2,-0.1 -27,-0.0 0.682 360.0 20.3 -24.2 -41.9 41.2 9.2 18.6 253 926 B L T 3 0 0 48 1,-0.1 -1,-0.3 -28,-0.0 -206,-0.0 -0.656 360.0 360.0-137.1 76.3 37.8 10.5 17.4 254 927 B F < 0 0 52 -3,-1.1 -1,-0.1 -2,-0.2 -2,-0.1 -0.272 360.0 360.0-159.6 360.0 35.8 11.7 20.4