==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 11-OCT-04 1XQ3 . COMPND 2 MOLECULE: ANDROGEN RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.HE,R.T.GAMPE JR.,A.J.KOLE,A.T.HNAT,T.B.STANLEY,G.AN, . 243 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11847.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 76.5 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 3.7 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 . 6 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 57.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.1 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 1 1 0 0 2 0 0 1 0 0 0 1 0 0 1 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 1 671 A P > 0 0 133 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -87.3 12.3 26.1 21.3 2 672 A I H > + 0 0 137 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.911 360.0 43.5 -51.0 -59.4 15.4 25.1 23.3 3 673 A F H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.952 122.1 39.2 -53.9 -54.9 15.6 21.3 22.7 4 674 A L H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.802 109.8 60.7 -65.6 -32.1 14.7 21.6 19.0 5 675 A N H X S+ 0 0 89 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.944 108.3 45.8 -60.2 -45.0 16.9 24.7 18.6 6 676 A V H X S+ 0 0 46 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.945 111.1 50.6 -63.2 -48.9 19.9 22.6 19.7 7 677 A L H X S+ 0 0 2 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.889 113.3 46.2 -57.6 -40.6 19.0 19.6 17.4 8 678 A E H >< S+ 0 0 99 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.928 112.0 51.0 -67.9 -43.5 18.7 21.9 14.4 9 679 A A H 3< S+ 0 0 86 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.814 114.2 43.0 -64.4 -32.0 21.9 23.8 15.2 10 680 A I H 3< S+ 0 0 35 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.461 79.7 122.0 -96.4 -0.2 24.0 20.6 15.5 11 681 A E << - 0 0 64 -3,-0.8 -3,-0.0 -4,-0.6 124,-0.0 -0.438 68.5-116.8 -63.9 126.3 22.7 18.7 12.6 12 682 A P - 0 0 45 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.268 27.4-126.2 -63.8 151.8 25.7 17.9 10.3 13 683 A G - 0 0 57 1,-0.2 31,-0.0 -3,-0.1 -3,-0.0 -0.154 50.5 -45.6 -86.7-172.5 25.7 19.3 6.8 14 684 A V - 0 0 118 1,-0.1 2,-0.4 -2,-0.0 -1,-0.2 -0.248 54.4-158.7 -57.0 138.1 26.1 17.6 3.5 15 685 A V - 0 0 23 -3,-0.1 2,-0.2 29,-0.0 26,-0.1 -0.987 3.0-151.7-124.8 124.2 28.9 15.0 3.4 16 686 A C - 0 0 63 -2,-0.4 24,-0.1 79,-0.1 79,-0.0 -0.628 10.4-146.0 -94.0 155.3 30.5 13.8 0.1 17 687 A A - 0 0 2 -2,-0.2 -1,-0.1 2,-0.1 3,-0.1 0.665 29.2-130.0 -92.6 -19.8 32.0 10.4 -0.5 18 688 A G + 0 0 52 1,-0.2 80,-0.1 18,-0.1 2,-0.0 0.680 48.8 164.8 76.4 16.9 34.8 11.5 -2.9 19 689 A H - 0 0 16 78,-0.1 2,-1.1 1,-0.1 -1,-0.2 -0.349 41.6-126.4 -68.0 146.7 33.7 8.7 -5.3 20 690 A D > - 0 0 82 1,-0.1 3,-1.0 9,-0.1 -1,-0.1 -0.779 24.0-174.3 -97.9 92.4 34.9 8.8 -8.9 21 691 A N T 3 S+ 0 0 77 -2,-1.1 -1,-0.1 1,-0.2 4,-0.1 0.558 74.5 69.5 -64.1 -8.1 31.7 8.6 -10.9 22 692 A N T 3 S+ 0 0 158 2,-0.1 -1,-0.2 -3,-0.0 3,-0.1 0.861 82.6 75.8 -80.6 -37.5 33.7 8.4 -14.2 23 693 A Q S < S- 0 0 134 -3,-1.0 3,-0.1 1,-0.1 -3,-0.0 -0.560 101.0 -89.7 -77.5 139.9 35.1 5.0 -13.7 24 694 A P - 0 0 101 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 -0.051 47.4-101.5 -46.9 142.7 32.7 2.1 -14.3 25 695 A D + 0 0 36 -4,-0.1 2,-0.3 -3,-0.1 3,-0.1 -0.276 52.6 164.5 -62.0 156.2 30.7 0.9 -11.3 26 696 A S > - 0 0 34 1,-0.1 4,-2.9 -3,-0.1 5,-0.4 -0.950 51.5-104.8-169.9 156.3 32.1 -2.3 -9.7 27 697 A F H > S+ 0 0 14 -2,-0.3 4,-2.1 1,-0.2 5,-0.3 0.943 121.1 43.1 -51.3 -53.3 31.8 -4.3 -6.5 28 698 A A H > S+ 0 0 29 1,-0.2 4,-1.9 2,-0.2 187,-0.3 0.922 117.0 43.7 -61.8 -50.0 35.2 -3.1 -5.4 29 699 A A H > S+ 0 0 35 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.888 115.9 47.0 -67.2 -39.7 34.9 0.6 -6.4 30 700 A L H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.962 115.9 42.2 -67.7 -51.7 31.4 1.1 -5.0 31 701 A L H X S+ 0 0 4 -4,-2.1 4,-2.6 -5,-0.4 -2,-0.2 0.863 112.6 54.4 -64.2 -36.3 31.9 -0.6 -1.6 32 702 A S H X S+ 0 0 25 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.874 110.5 47.1 -65.8 -35.7 35.3 1.1 -1.2 33 703 A S H X S+ 0 0 16 -4,-1.5 4,-2.9 2,-0.2 -2,-0.2 0.931 110.5 51.2 -69.7 -45.5 33.6 4.5 -1.8 34 704 A L H X S+ 0 0 25 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.906 110.2 50.8 -57.2 -41.4 30.8 3.6 0.7 35 705 A N H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.878 109.3 49.4 -64.7 -38.2 33.4 2.7 3.2 36 706 A E H X S+ 0 0 66 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.929 113.0 47.8 -65.7 -42.4 35.2 6.0 2.7 37 707 A L H X S+ 0 0 5 -4,-2.9 4,-3.0 1,-0.2 5,-0.3 0.890 108.8 54.8 -63.3 -40.1 31.9 7.8 3.1 38 708 A G H X S+ 0 0 5 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.929 108.0 48.6 -59.0 -45.2 31.2 5.7 6.2 39 709 A E H X S+ 0 0 24 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.964 113.6 47.2 -59.1 -51.9 34.5 6.9 7.7 40 710 A R H X S+ 0 0 96 -4,-2.5 4,-1.2 1,-0.2 -2,-0.2 0.882 112.1 48.7 -58.3 -42.0 33.7 10.5 6.9 41 711 A Q H X S+ 0 0 20 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.861 104.6 61.6 -68.3 -32.2 30.2 10.3 8.3 42 712 A L H X S+ 0 0 7 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.908 98.8 55.0 -59.8 -42.5 31.6 8.7 11.4 43 713 A V H X S+ 0 0 65 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.918 112.6 43.7 -56.8 -42.9 33.6 11.8 12.1 44 714 A H H X S+ 0 0 58 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.863 108.6 56.3 -70.8 -39.3 30.4 13.9 12.0 45 715 A V H X S+ 0 0 16 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.909 108.4 49.5 -60.5 -39.8 28.3 11.4 14.0 46 716 A V H X S+ 0 0 32 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.955 112.8 44.8 -63.5 -50.6 30.9 11.7 16.8 47 717 A K H X S+ 0 0 127 -4,-1.8 4,-0.8 1,-0.2 -2,-0.2 0.909 115.7 49.4 -59.9 -42.3 30.9 15.6 16.8 48 718 A W H >< S+ 0 0 12 -4,-2.9 3,-1.0 1,-0.2 4,-0.2 0.951 111.2 47.2 -61.4 -52.2 27.1 15.6 16.6 49 719 A A H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.3 -1,-0.2 0.888 107.6 55.7 -59.8 -42.9 26.5 13.1 19.5 50 720 A K H 3< S+ 0 0 77 -4,-2.3 -1,-0.3 1,-0.3 6,-0.2 0.727 107.3 51.5 -64.6 -20.5 28.9 14.9 21.8 51 721 A A T << S+ 0 0 50 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.378 83.7 117.6 -97.0 3.6 27.0 18.1 21.3 52 722 A L S X S- 0 0 6 -3,-1.7 3,-1.9 -4,-0.2 4,-0.4 -0.434 82.0 -88.8 -71.6 143.8 23.6 16.5 22.1 53 723 A P T 3 S- 0 0 41 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.307 109.7 -2.5 -53.8 126.0 21.8 17.9 25.2 54 724 A G T > S+ 0 0 30 -3,-0.1 3,-2.2 1,-0.1 4,-0.4 0.334 92.8 124.7 75.4 -6.7 22.9 15.9 28.3 55 725 A F G X + 0 0 0 -3,-1.9 3,-1.7 1,-0.3 -4,-0.1 0.853 69.3 56.9 -52.9 -42.4 25.2 13.5 26.3 56 726 A R G 3 S+ 0 0 143 -4,-0.4 -1,-0.3 1,-0.3 4,-0.1 0.492 86.2 78.7 -70.9 -3.1 28.2 14.4 28.4 57 727 A N G < S+ 0 0 117 -3,-2.2 -1,-0.3 2,-0.1 -2,-0.2 0.734 80.4 92.0 -72.6 -21.7 26.3 13.3 31.6 58 728 A L S < S- 0 0 4 -3,-1.7 5,-0.1 -4,-0.4 96,-0.1 -0.438 98.5 -92.3 -73.3 146.3 27.2 9.8 30.4 59 729 A H >> - 0 0 80 94,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.352 39.7-117.1 -57.5 133.3 30.3 8.1 31.6 60 730 A V H 3> S+ 0 0 95 1,-0.3 4,-1.3 2,-0.2 5,-0.2 0.815 114.7 50.3 -43.5 -42.8 33.1 8.9 29.1 61 731 A D H 3> S+ 0 0 90 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.887 108.7 51.9 -66.6 -38.3 33.6 5.2 28.2 62 732 A D H <> S+ 0 0 5 -3,-0.9 4,-2.8 1,-0.2 5,-0.3 0.877 101.0 65.6 -64.7 -35.8 29.8 4.8 27.7 63 733 A Q H X S+ 0 0 19 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.939 106.6 37.3 -51.5 -58.0 29.9 7.8 25.3 64 734 A M H X S+ 0 0 70 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.882 114.5 58.0 -65.0 -37.4 32.0 6.2 22.6 65 735 A A H X S+ 0 0 15 -4,-1.6 4,-2.3 1,-0.2 5,-0.2 0.951 106.5 45.5 -58.3 -53.3 30.4 2.8 23.1 66 736 A V H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.854 113.9 51.2 -62.2 -31.1 26.8 4.0 22.3 67 737 A I H X S+ 0 0 0 -4,-1.5 4,-1.4 -5,-0.3 -1,-0.2 0.914 110.8 47.2 -70.8 -41.7 28.1 6.0 19.3 68 738 A Q H < S+ 0 0 39 -4,-2.6 4,-0.4 1,-0.2 -2,-0.2 0.857 115.0 46.0 -69.5 -33.0 30.0 3.0 17.9 69 739 A Y H < S+ 0 0 15 -4,-2.3 4,-0.3 -5,-0.2 3,-0.3 0.892 118.9 40.1 -74.7 -40.6 27.0 0.6 18.4 70 740 A S H X S+ 0 0 6 -4,-2.0 4,-3.0 -5,-0.2 5,-0.2 0.596 87.7 97.7 -83.5 -15.0 24.4 3.0 16.9 71 741 A W H X S+ 0 0 4 -4,-1.4 4,-2.6 1,-0.2 5,-0.2 0.863 83.8 46.9 -40.9 -54.9 26.6 4.3 14.1 72 742 A M H > S+ 0 0 16 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.926 114.7 44.8 -59.2 -49.4 25.1 2.0 11.5 73 743 A G H > S+ 0 0 5 -4,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.903 112.7 52.8 -62.8 -40.9 21.5 2.6 12.3 74 744 A L H X S+ 0 0 4 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.941 110.2 46.9 -59.7 -48.4 22.2 6.4 12.5 75 745 A M H X S+ 0 0 29 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.914 113.4 49.7 -59.8 -43.7 23.7 6.4 9.1 76 746 A V H X S+ 0 0 7 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.927 111.4 48.1 -61.4 -46.7 20.8 4.4 7.7 77 747 A F H X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.943 114.2 44.2 -61.8 -50.9 18.2 6.6 9.2 78 748 A A H X S+ 0 0 14 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.895 112.7 54.0 -61.5 -39.1 19.7 9.9 8.0 79 749 A M H X S+ 0 0 4 -4,-2.3 4,-2.5 -5,-0.3 14,-0.4 0.922 106.5 50.6 -62.2 -44.5 20.3 8.4 4.6 80 750 A G H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.883 110.9 50.4 -60.7 -37.8 16.7 7.4 4.2 81 751 A W H X S+ 0 0 37 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.892 110.3 48.3 -67.3 -40.5 15.7 10.9 5.1 82 752 A R H X S+ 0 0 54 -4,-2.4 4,-2.1 1,-0.2 5,-0.4 0.876 111.0 51.8 -66.5 -37.5 18.1 12.4 2.5 83 753 A S H X S+ 0 0 0 -4,-2.5 6,-2.8 2,-0.2 4,-1.3 0.873 111.5 47.5 -65.6 -38.1 16.8 10.0 -0.1 84 754 A F H X S+ 0 0 50 -4,-1.9 4,-0.6 4,-0.3 -2,-0.2 0.913 117.2 39.8 -70.1 -44.7 13.2 11.1 0.7 85 755 A T H < S+ 0 0 70 -4,-2.4 -2,-0.2 2,-0.1 -1,-0.2 0.756 126.2 34.5 -78.7 -24.5 13.9 14.8 0.7 86 756 A N H < S+ 0 0 84 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.911 135.8 11.5 -96.4 -54.5 16.2 14.7 -2.4 87 757 A V H >< S- 0 0 35 -4,-1.3 3,-3.0 -5,-0.4 4,-0.3 -0.050 99.1-110.3-117.5 33.5 15.1 12.0 -4.8 88 758 A N T 3< S- 0 0 121 -4,-0.6 -4,-0.3 1,-0.3 -3,-0.1 0.820 70.1 -66.3 40.5 43.9 11.7 11.2 -3.3 89 759 A S T 3 S+ 0 0 4 -6,-2.8 -1,-0.3 2,-0.2 33,-0.2 0.560 108.0 123.8 60.7 8.9 12.9 7.8 -2.1 90 760 A R S < S+ 0 0 192 -3,-3.0 2,-0.3 -7,-0.4 -2,-0.1 0.841 81.8 7.7 -65.9 -33.6 13.3 6.8 -5.8 91 761 A M S S- 0 0 47 -4,-0.3 2,-0.8 -8,-0.3 -4,-0.2 -0.888 89.5 -90.6-140.8 170.4 16.9 6.0 -5.2 92 762 A L E -A 100 0A 0 8,-1.5 8,-2.7 -2,-0.3 2,-1.6 -0.780 31.5-159.7 -91.9 109.6 19.4 5.8 -2.3 93 763 A Y E +A 99 0A 40 -2,-0.8 6,-0.2 -14,-0.4 -11,-0.1 -0.536 27.3 158.1 -87.4 69.7 21.0 9.2 -1.7 94 764 A F E S- 0 0 23 -2,-1.6 -1,-0.2 4,-0.7 5,-0.2 0.921 75.1 -19.6 -57.8 -44.3 24.1 8.0 0.2 95 765 A A E > -A 98 0A 0 3,-0.8 3,-2.6 -3,-0.3 -1,-0.3 -0.973 69.7-100.9-160.0 156.2 25.9 11.2 -0.8 96 766 A P T 3 S+ 0 0 52 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.839 127.9 39.8 -51.7 -32.8 25.5 13.9 -3.6 97 767 A D T 3 S+ 0 0 34 1,-0.2 -78,-0.1 -4,-0.1 -76,-0.1 0.118 116.9 50.7-104.4 19.9 28.3 12.1 -5.4 98 768 A L E < +A 95 0A 0 -3,-2.6 -3,-0.8 -80,-0.1 -4,-0.7 -0.417 64.8 159.8-155.4 69.7 27.2 8.6 -4.6 99 769 A V E -A 93 0A 32 -3,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.823 32.6-136.7 -96.7 129.4 23.6 8.0 -5.5 100 770 A F E -A 92 0A 0 -8,-2.7 -8,-1.5 -2,-0.5 2,-0.2 -0.780 22.0-177.7 -92.9 123.9 22.6 4.3 -6.0 101 771 A N > - 0 0 64 -2,-0.5 4,-2.4 -10,-0.2 3,-0.3 -0.504 51.7 -83.1-102.9 179.5 20.3 3.5 -8.9 102 772 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.897 130.4 53.1 -51.2 -42.8 19.0 -0.1 -9.6 103 773 A Y H > S+ 0 0 136 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.888 110.0 44.8 -62.5 -43.0 22.2 -0.9 -11.4 104 774 A R H > S+ 0 0 23 -3,-0.3 4,-1.6 2,-0.2 6,-0.2 0.872 108.4 58.5 -70.3 -34.1 24.5 0.1 -8.5 105 775 A M H <>S+ 0 0 1 -4,-2.4 5,-1.3 1,-0.2 6,-0.5 0.898 113.7 39.3 -59.6 -40.3 22.2 -1.7 -6.0 106 776 A H H ><5S+ 0 0 125 -4,-1.8 3,-1.2 -5,-0.2 -2,-0.2 0.904 114.3 51.2 -76.4 -44.0 22.9 -4.9 -7.9 107 777 A K H 3<5S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.666 105.6 56.8 -69.5 -16.4 26.5 -4.3 -8.7 108 778 A S T 3<5S- 0 0 0 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.573 106.1-129.1 -88.3 -11.4 27.3 -3.6 -5.0 109 779 A R T < 5S+ 0 0 153 -3,-1.2 -3,-0.2 -4,-0.2 -2,-0.1 0.774 85.7 102.9 66.0 29.4 25.8 -7.1 -4.2 110 780 A M >< + 0 0 10 -5,-1.3 4,-3.1 -6,-0.2 5,-0.3 0.046 35.3 129.2-123.7 18.6 23.6 -5.3 -1.5 111 781 A Y H > S+ 0 0 80 -6,-0.5 4,-2.4 1,-0.2 5,-0.2 0.880 72.4 44.6 -45.3 -57.9 20.4 -5.3 -3.5 112 782 A S H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.909 116.2 47.7 -58.4 -41.9 18.1 -6.9 -0.9 113 783 A Q H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.927 112.0 50.1 -64.3 -42.6 19.5 -4.6 1.9 114 784 A C H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.857 107.9 53.7 -62.9 -34.2 19.2 -1.6 -0.4 115 785 A V H X S+ 0 0 31 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.921 108.9 49.7 -65.4 -41.4 15.6 -2.6 -1.1 116 786 A R H X S+ 0 0 91 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 112.3 46.5 -61.4 -45.9 15.1 -2.7 2.7 117 787 A M H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.862 108.6 55.4 -67.0 -35.6 16.6 0.8 3.1 118 788 A R H X S+ 0 0 47 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.903 106.1 52.6 -63.4 -39.0 14.5 2.2 0.2 119 789 A H H X S+ 0 0 85 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.934 108.0 50.5 -60.7 -46.0 11.4 1.0 2.0 120 790 A L H X S+ 0 0 6 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.933 110.5 50.3 -56.4 -47.1 12.6 2.9 5.2 121 791 A S H >X S+ 0 0 0 -4,-2.4 3,-1.2 1,-0.2 4,-0.7 0.912 108.1 51.7 -57.0 -46.8 13.1 5.9 3.0 122 792 A Q H >X S+ 0 0 50 -4,-2.5 4,-2.7 1,-0.3 3,-1.0 0.835 99.2 65.9 -60.7 -34.5 9.6 5.7 1.5 123 793 A E H 3X S+ 0 0 65 -4,-1.9 4,-2.2 1,-0.3 -1,-0.3 0.792 90.8 63.3 -59.3 -29.2 8.1 5.4 5.0 124 794 A F H <<>S+ 0 0 0 -3,-1.2 5,-2.3 -4,-0.8 4,-0.3 0.869 111.3 38.8 -63.4 -34.5 9.2 9.0 5.6 125 795 A G H X<5S+ 0 0 23 -3,-1.0 3,-1.5 -4,-0.7 -2,-0.2 0.962 112.9 52.7 -77.6 -56.3 6.9 10.0 2.8 126 796 A W H 3<5S+ 0 0 163 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.800 120.5 36.4 -48.8 -33.5 4.0 7.6 3.6 127 797 A L T 3<5S- 0 0 29 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.492 103.3-131.0 -99.4 -6.4 4.0 8.9 7.2 128 798 A Q T < 5 - 0 0 155 -3,-1.5 2,-0.2 -4,-0.3 -3,-0.2 0.957 29.1-160.3 54.7 53.1 4.8 12.5 6.3 129 799 A I < - 0 0 6 -5,-2.3 -1,-0.2 -6,-0.2 -2,-0.0 -0.490 8.6-135.8 -67.1 128.5 7.6 12.7 8.9 130 800 A T > - 0 0 51 -2,-0.2 4,-2.7 -3,-0.1 5,-0.2 -0.443 20.0-111.5 -82.3 159.3 8.3 16.3 9.7 131 801 A P H > S+ 0 0 70 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.886 119.4 52.2 -57.5 -37.7 11.9 17.6 10.0 132 802 A Q H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.904 110.3 46.5 -64.9 -42.7 11.4 18.1 13.8 133 803 A E H > S+ 0 0 12 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 111.0 54.2 -66.0 -40.8 10.2 14.5 14.2 134 804 A F H X S+ 0 0 5 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.950 109.3 46.7 -56.8 -52.2 13.1 13.3 12.1 135 805 A L H X S+ 0 0 17 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.883 114.1 47.5 -59.6 -42.4 15.6 15.1 14.3 136 806 A C H X S+ 0 0 1 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.918 112.7 48.8 -65.5 -44.6 14.1 13.8 17.6 137 807 A M H X S+ 0 0 0 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.868 110.1 51.4 -63.5 -36.9 13.9 10.3 16.3 138 808 A K H X S+ 0 0 9 -4,-2.4 4,-0.8 -5,-0.2 -1,-0.2 0.896 110.1 49.2 -67.7 -39.9 17.5 10.4 15.1 139 809 A A H >X S+ 0 0 0 -4,-1.9 3,-1.6 1,-0.2 4,-0.6 0.965 112.8 46.9 -62.1 -51.3 18.6 11.6 18.5 140 810 A L H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 -1,-0.2 0.840 102.6 65.3 -58.7 -33.8 16.6 8.8 20.3 141 811 A L H >< S+ 0 0 3 -4,-1.9 3,-1.0 1,-0.3 -1,-0.3 0.786 92.7 62.3 -61.6 -25.4 18.1 6.4 17.8 142 812 A L H << S+ 0 0 0 -3,-1.6 3,-0.3 -4,-0.8 -1,-0.3 0.821 104.7 47.6 -69.2 -29.8 21.5 7.0 19.3 143 813 A F T << S+ 0 0 0 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.1 -0.208 88.6 91.1-103.9 41.4 20.2 5.7 22.7 144 814 A S S < S+ 0 0 6 -3,-1.0 95,-2.9 1,-0.2 2,-0.3 0.096 74.7 56.5-126.0 24.9 18.6 2.5 21.3 145 815 A I E +B 238 0B 4 93,-0.3 -1,-0.2 -3,-0.3 -75,-0.1 -0.853 59.2 153.0-158.3 120.2 21.3 -0.2 21.5 146 816 A I E -B 237 0B 24 91,-2.2 91,-2.7 -2,-0.3 -3,-0.0 -0.927 46.1 -76.9-144.6 166.1 23.3 -1.3 24.6 147 817 A P E > -B 236 0B 23 0, 0.0 3,-1.6 0, 0.0 89,-0.3 -0.334 34.5-130.2 -64.0 144.0 25.3 -4.2 26.2 148 818 A V T 3 S+ 0 0 88 87,-3.2 88,-0.1 1,-0.3 3,-0.1 0.868 112.8 52.3 -62.2 -35.2 23.2 -7.0 27.7 149 819 A D T 3 S- 0 0 163 86,-0.5 -1,-0.3 1,-0.2 87,-0.1 0.395 117.9-117.3 -82.2 3.3 25.3 -6.6 30.8 150 820 A G < - 0 0 26 -3,-1.6 -1,-0.2 3,-0.1 -2,-0.1 0.069 29.3 -74.2 82.4 164.7 24.7 -2.8 30.9 151 821 A L > - 0 0 21 -4,-0.1 3,-0.7 -3,-0.1 4,-0.1 -0.278 52.0 -89.4 -89.2 177.2 27.0 0.2 30.6 152 822 A K T 3 S+ 0 0 146 1,-0.3 2,-0.4 -93,-0.1 3,-0.1 0.945 127.2 15.5 -52.7 -50.7 29.5 1.7 33.1 153 823 A N T 3> S+ 0 0 47 1,-0.1 4,-1.2 -94,-0.1 3,-0.3 -0.789 71.2 173.0-128.6 91.0 26.7 3.8 34.4 154 824 A Q H <> S+ 0 0 42 -3,-0.7 4,-3.0 -2,-0.4 5,-0.3 0.859 74.8 65.8 -62.1 -38.4 23.4 2.4 33.2 155 825 A K H > S+ 0 0 175 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.878 101.1 46.5 -55.3 -43.6 21.4 4.8 35.4 156 826 A F H > S+ 0 0 107 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.883 114.0 50.6 -67.4 -35.2 22.6 8.0 33.5 157 827 A F H X S+ 0 0 0 -4,-1.2 4,-3.0 2,-0.2 5,-0.3 0.957 109.9 47.8 -65.9 -50.9 21.8 6.3 30.2 158 828 A D H X S+ 0 0 81 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.871 113.6 49.4 -57.5 -38.8 18.3 5.2 31.2 159 829 A E H X S+ 0 0 99 -4,-2.0 4,-1.8 -5,-0.3 -1,-0.2 0.938 113.0 45.8 -65.4 -48.3 17.6 8.8 32.5 160 830 A L H X S+ 0 0 11 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.908 113.2 49.3 -62.6 -43.9 18.9 10.4 29.3 161 831 A R H X S+ 0 0 26 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.921 107.9 54.7 -62.4 -44.1 17.0 7.9 27.1 162 832 A M H X S+ 0 0 75 -4,-2.2 4,-2.0 -5,-0.3 -1,-0.2 0.889 107.5 51.2 -57.0 -40.1 13.8 8.6 29.0 163 833 A N H X S+ 0 0 57 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.898 107.2 50.8 -66.5 -40.8 14.2 12.3 28.4 164 834 A Y H X S+ 0 0 6 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.771 109.1 53.1 -68.7 -23.1 14.6 11.9 24.6 165 835 A I H X S+ 0 0 41 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.907 108.2 49.7 -74.5 -42.0 11.5 9.8 24.6 166 836 A K H X S+ 0 0 103 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.864 108.8 53.6 -62.6 -36.2 9.6 12.6 26.5 167 837 A E H X S+ 0 0 32 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.912 107.1 49.3 -65.8 -43.0 10.9 15.1 23.9 168 838 A L H X S+ 0 0 0 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.878 109.6 55.5 -61.8 -36.0 9.6 13.1 21.0 169 839 A D H X S+ 0 0 80 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.924 106.3 48.4 -62.4 -47.1 6.3 13.0 22.9 170 840 A R H < S+ 0 0 168 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 109.5 52.7 -61.8 -42.0 6.1 16.8 23.1 171 841 A I H < S+ 0 0 41 -4,-2.0 -1,-0.2 2,-0.3 -2,-0.2 0.844 110.3 47.5 -63.6 -34.7 6.8 17.2 19.5 172 842 A I H < 0 0 26 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.918 360.0 360.0 -71.3 -42.7 4.0 14.8 18.6 173 843 A A < 0 0 93 -4,-2.5 -2,-0.3 -5,-0.2 -1,-0.2 0.629 360.0 360.0 -82.6 360.0 1.8 16.7 21.0 174 ! 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 0.0 175 850 A T > 0 0 165 0, 0.0 4,-1.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 10.3 -6.3 10.1 20.4 176 851 A S H > + 0 0 83 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.833 360.0 59.5 -78.9 -34.0 -4.1 11.2 17.5 177 852 A C H > S+ 0 0 55 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.948 105.9 49.2 -57.2 -50.3 -1.0 11.7 19.7 178 853 A S H > S+ 0 0 85 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.874 112.3 47.0 -57.9 -41.5 -1.2 8.0 20.7 179 854 A R H X S+ 0 0 166 -4,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.899 114.2 46.8 -69.2 -41.0 -1.5 6.9 17.0 180 855 A R H X S+ 0 0 43 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.917 111.9 50.4 -65.7 -45.2 1.4 9.1 15.9 181 856 A F H X S+ 0 0 53 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.860 110.4 52.4 -61.2 -36.0 3.6 7.9 18.8 182 857 A Y H X S+ 0 0 125 -4,-1.7 4,-1.7 -5,-0.2 -2,-0.2 0.943 111.8 43.6 -65.4 -50.2 2.7 4.4 17.8 183 858 A Q H X S+ 0 0 46 -4,-2.3 4,-1.6 1,-0.2 -2,-0.2 0.814 114.2 49.8 -70.2 -28.1 3.7 4.7 14.2 184 859 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.906 111.8 46.9 -75.9 -40.4 6.9 6.7 14.9 185 860 A T H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 56,-0.3 0.836 111.3 53.8 -67.0 -31.4 8.2 4.2 17.5 186 861 A K H X S+ 0 0 73 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.918 109.1 47.9 -66.9 -42.7 7.3 1.4 15.0 187 862 A L H X S+ 0 0 5 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.930 110.8 51.0 -62.3 -47.1 9.4 3.2 12.4 188 863 A L H >X S+ 0 0 7 -4,-2.6 3,-0.9 1,-0.2 4,-0.6 0.888 109.7 50.7 -57.8 -41.6 12.3 3.6 14.9 189 864 A D H >< S+ 0 0 6 -4,-2.2 3,-1.0 1,-0.2 -1,-0.2 0.894 101.7 62.2 -63.3 -40.5 12.1 -0.1 15.7 190 865 A S H 3X S+ 0 0 38 -4,-2.1 4,-0.9 1,-0.2 -1,-0.2 0.690 90.9 67.8 -62.0 -18.2 12.2 -1.0 12.0 191 866 A V H S+ 0 0 33 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.893 115.5 47.9 -54.5 -36.5 16.6 -5.3 11.7 194 869 A I H X S+ 0 0 5 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.952 109.9 50.2 -67.8 -48.5 18.0 -3.3 8.8 195 870 A A H X S+ 0 0 2 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.876 109.0 54.7 -58.2 -35.8 21.1 -2.2 10.8 196 871 A R H X S+ 0 0 112 -4,-2.9 4,-2.3 2,-0.2 -1,-0.2 0.891 105.8 49.7 -66.3 -40.7 21.6 -5.8 11.8 197 872 A E H X S+ 0 0 63 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.901 113.6 46.9 -64.0 -39.7 21.7 -7.1 8.2 198 873 A L H X S+ 0 0 13 -4,-2.1 4,-3.4 2,-0.2 5,-0.3 0.871 108.7 54.8 -70.0 -35.3 24.2 -4.3 7.3 199 874 A H H X S+ 0 0 4 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.940 111.9 44.6 -61.3 -45.3 26.3 -5.2 10.4 200 875 A Q H X S+ 0 0 69 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.917 115.7 48.2 -64.2 -43.0 26.4 -8.8 9.2 201 876 A F H X S+ 0 0 41 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.940 112.8 44.6 -65.9 -48.7 27.2 -7.7 5.7 202 877 A T H X S+ 0 0 12 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.883 113.1 53.3 -66.1 -34.6 30.0 -5.2 6.5 203 878 A F H X S+ 0 0 52 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.965 110.7 44.9 -62.9 -51.2 31.5 -7.7 9.0 204 879 A D H X S+ 0 0 76 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.897 113.0 53.6 -58.5 -39.4 31.7 -10.5 6.3 205 880 A L H < S+ 0 0 4 -4,-2.3 4,-0.4 1,-0.2 3,-0.3 0.919 106.3 50.9 -62.0 -45.9 33.0 -7.9 3.9 206 881 A L H >< S+ 0 0 27 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.904 106.4 55.1 -59.5 -43.1 35.9 -6.8 6.2 207 882 A I H 3< S+ 0 0 97 -4,-2.0 -1,-0.2 1,-0.3 3,-0.2 0.837 121.2 29.4 -60.6 -34.7 37.0 -10.4 6.8 208 883 A K T >X S+ 0 0 91 -4,-1.4 4,-1.5 -3,-0.3 3,-1.0 0.186 85.9 112.5-111.0 16.4 37.4 -11.0 3.0 209 884 A S H <>>S+ 0 0 21 -3,-1.0 5,-2.1 -4,-0.4 4,-0.7 0.808 75.1 56.5 -59.0 -31.7 38.2 -7.4 2.0 210 885 A H H 345S+ 0 0 139 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.796 108.4 47.2 -70.7 -28.6 41.8 -8.5 1.1 211 886 A M H <45S+ 0 0 150 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.743 118.6 39.3 -83.9 -26.0 40.4 -11.1 -1.4 212 887 A V H <5S- 0 0 35 -4,-1.5 -2,-0.2 -7,-0.2 -1,-0.2 0.358 107.0-117.1-106.5 3.7 37.9 -8.7 -3.0 213 888 A S T <5 + 0 0 83 -4,-0.7 2,-0.6 1,-0.2 -3,-0.2 0.913 62.4 146.5 62.5 44.3 39.9 -5.5 -3.1 214 889 A V < - 0 0 2 -5,-2.1 2,-0.3 -9,-0.2 -1,-0.2 -0.957 38.1-146.0-114.9 114.6 37.6 -3.6 -0.9 215 890 A D - 0 0 118 -2,-0.6 -180,-0.2 -187,-0.3 -179,-0.1 -0.586 7.6-159.0 -84.0 140.5 39.5 -1.1 1.3 216 891 A F - 0 0 30 -2,-0.3 5,-0.1 -10,-0.1 -184,-0.1 -0.969 19.6-127.0-119.8 116.7 38.3 -0.3 4.9 217 892 A P > - 0 0 26 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.143 32.2 -98.4 -58.9 160.3 39.4 3.0 6.5 218 893 A E H > S+ 0 0 164 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.901 115.6 39.9 -42.9 -71.9 41.1 2.9 9.9 219 894 A M H > S+ 0 0 79 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.768 117.8 49.6 -57.4 -30.7 38.4 3.8 12.4 220 895 A M H > S+ 0 0 2 -3,-0.3 4,-3.0 2,-0.2 5,-0.3 0.896 107.3 52.8 -75.1 -42.5 35.7 1.7 10.6 221 896 A A H X S+ 0 0 25 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.858 112.1 49.1 -59.6 -34.3 37.9 -1.3 10.4 222 897 A E H X S+ 0 0 113 -4,-1.8 4,-1.6 -5,-0.3 5,-0.4 0.954 112.9 44.3 -70.2 -51.4 38.4 -0.9 14.1 223 898 A I H X>S+ 0 0 4 -4,-2.1 5,-2.5 1,-0.2 4,-1.5 0.883 114.1 49.3 -61.2 -42.8 34.6 -0.5 14.9 224 899 A I H <5S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.819 118.1 40.4 -69.0 -29.6 33.6 -3.4 12.6 225 900 A S H <5S+ 0 0 63 -4,-1.3 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