==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/INHIBITOR 07-SEP-11 3VHU . COMPND 2 MOLECULE: MINERALOCORTICOID RECEPTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR S.SOGABE,N.HABUKA . 249 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 186 74.7 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 . 6 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 58.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 2 0 1 0 0 0 1 0 0 1 0 1 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 1 728 A S > 0 0 117 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -38.6 30.4 58.2 6.4 2 729 A T H > + 0 0 99 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.895 360.0 42.0 -61.8 -42.7 32.2 57.4 9.7 3 730 A I H > S+ 0 0 129 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 115.1 52.0 -64.4 -46.9 28.7 56.7 11.3 4 731 A S H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.921 112.5 44.0 -55.9 -49.5 27.7 54.8 8.1 5 732 A R H < S+ 0 0 167 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.2 0.901 114.3 50.0 -63.9 -43.8 30.9 52.6 8.2 6 733 A A H < S+ 0 0 83 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.846 113.9 43.5 -67.4 -35.6 30.6 52.0 12.0 7 734 A L H < S+ 0 0 134 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.692 83.3 113.3 -85.1 -19.2 26.9 51.0 11.9 8 735 A T S < S- 0 0 85 -4,-1.4 2,-0.0 -5,-0.2 -3,-0.0 -0.340 78.2-111.0 -54.0 123.1 27.2 48.8 8.8 9 736 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.360 30.4-111.9 -59.8 136.0 26.6 45.2 10.1 10 737 A S >> - 0 0 48 1,-0.1 4,-2.2 -3,-0.1 3,-0.5 -0.285 33.1-104.0 -56.9 151.2 29.6 42.9 10.0 11 738 A P H 3> S+ 0 0 47 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.863 125.3 53.6 -45.1 -40.2 29.4 40.0 7.4 12 739 A V H 3> S+ 0 0 11 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.866 105.5 52.1 -65.0 -40.0 28.6 37.6 10.3 13 740 A M H <> S+ 0 0 102 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.904 109.9 49.5 -61.8 -43.5 25.7 39.9 11.5 14 741 A V H X S+ 0 0 32 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.958 106.0 56.5 -60.5 -48.0 24.3 39.8 8.0 15 742 A L H X S+ 0 0 1 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.865 108.6 47.6 -51.4 -41.2 24.6 35.9 7.9 16 743 A E H >< S+ 0 0 106 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.935 111.7 50.2 -63.0 -45.9 22.5 35.8 11.1 17 744 A N H 3< S+ 0 0 115 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.806 115.1 41.8 -65.8 -31.5 19.8 38.2 9.6 18 745 A I H 3< S+ 0 0 33 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.552 78.8 126.3 -95.0 -10.3 19.4 36.3 6.3 19 746 A E << - 0 0 50 -4,-0.9 -3,-0.0 -3,-0.5 124,-0.0 -0.276 67.1-113.8 -51.1 124.1 19.5 32.7 7.8 20 747 A P - 0 0 35 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.243 27.8-102.3 -61.8 150.8 16.3 31.1 6.4 21 748 A E - 0 0 163 1,-0.1 2,-0.1 -3,-0.1 31,-0.1 -0.439 50.2 -90.4 -64.9 146.0 13.4 30.0 8.8 22 749 A I - 0 0 72 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.433 49.0-136.7 -64.4 133.8 13.3 26.3 9.5 23 750 A V - 0 0 26 79,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.690 4.5-124.2-102.5 145.4 11.2 24.6 6.9 24 751 A Y - 0 0 138 -2,-0.3 24,-0.1 79,-0.2 79,-0.0 -0.647 6.7-147.5 -88.1 142.9 8.5 21.8 7.4 25 752 A A - 0 0 0 -2,-0.3 3,-0.1 2,-0.0 -1,-0.1 0.743 26.9-131.6 -76.8 -24.9 8.7 18.5 5.5 26 753 A G - 0 0 39 1,-0.2 2,-0.3 19,-0.0 -2,-0.0 0.900 37.5-172.0 60.0 42.9 5.0 18.0 5.1 27 754 A Y - 0 0 42 1,-0.1 2,-1.2 2,-0.0 -1,-0.2 -0.552 18.8-141.0 -68.1 124.2 5.7 14.5 6.4 28 755 A D > - 0 0 78 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 -0.746 15.7-171.5 -93.6 93.1 2.6 12.4 6.1 29 756 A S T 3 S+ 0 0 98 -2,-1.2 -1,-0.2 1,-0.3 4,-0.1 0.500 79.1 68.8 -66.7 -1.8 2.7 10.3 9.3 30 757 A S T 3 S+ 0 0 92 2,-0.1 -1,-0.3 -3,-0.0 3,-0.0 0.706 84.9 78.8 -87.8 -23.0 -0.3 8.2 8.0 31 758 A K S < S- 0 0 118 -3,-1.8 2,-0.1 1,-0.1 0, 0.0 -0.588 95.4-102.8 -81.5 147.0 1.8 6.6 5.2 32 759 A P - 0 0 87 0, 0.0 2,-2.2 0, 0.0 5,-0.2 -0.394 31.8-108.8 -73.5 151.8 4.0 3.7 6.3 33 760 A D + 0 0 39 4,-0.1 2,-0.2 -4,-0.1 -4,-0.0 -0.403 59.0 155.9 -79.7 64.9 7.8 4.5 6.7 34 761 A T > - 0 0 54 -2,-2.2 4,-2.7 1,-0.1 5,-0.3 -0.506 58.1-110.7 -79.1 158.1 8.9 2.5 3.6 35 762 A A H > S+ 0 0 24 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.944 120.1 53.5 -54.1 -47.4 12.2 3.4 2.0 36 763 A E H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 187,-0.4 0.877 111.2 44.2 -53.7 -47.2 10.2 4.7 -1.0 37 764 A N H > S+ 0 0 55 2,-0.2 4,-2.5 -5,-0.2 -1,-0.2 0.941 115.5 47.4 -66.9 -48.0 8.0 7.0 1.1 38 765 A L H X S+ 0 0 2 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.912 113.5 46.8 -61.0 -44.8 10.9 8.3 3.3 39 766 A L H X S+ 0 0 17 -4,-3.0 4,-2.6 -5,-0.3 -1,-0.2 0.899 112.4 50.2 -69.4 -36.3 13.1 9.1 0.3 40 767 A S H X S+ 0 0 16 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.897 111.8 49.2 -66.3 -39.7 10.3 10.8 -1.5 41 768 A T H X S+ 0 0 23 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.925 110.2 50.1 -62.1 -46.3 9.6 12.9 1.6 42 769 A L H X S+ 0 0 21 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.936 110.9 50.0 -60.6 -42.2 13.3 13.8 1.9 43 770 A N H X S+ 0 0 23 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.881 110.9 48.7 -62.1 -39.0 13.3 14.9 -1.8 44 771 A R H X S+ 0 0 131 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.919 112.2 48.4 -66.2 -43.3 10.2 17.0 -1.3 45 772 A L H X S+ 0 0 3 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.921 108.0 55.4 -60.3 -44.6 11.7 18.6 1.8 46 773 A A H X S+ 0 0 13 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.882 105.2 54.0 -53.7 -40.0 14.9 19.2 -0.2 47 774 A G H X S+ 0 0 5 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.941 110.5 44.4 -60.9 -48.4 12.8 21.0 -2.8 48 775 A K H X S+ 0 0 72 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.883 113.5 51.1 -65.9 -38.2 11.4 23.4 -0.1 49 776 A Q H X S+ 0 0 21 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.893 105.2 56.3 -66.2 -35.4 14.8 23.9 1.4 50 777 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.820 100.5 58.4 -67.1 -32.9 16.3 24.8 -2.0 51 778 A I H X S+ 0 0 86 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.958 109.6 45.0 -53.4 -51.8 13.7 27.5 -2.4 52 779 A Q H X S+ 0 0 43 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.883 108.3 56.6 -62.3 -40.7 15.1 29.0 0.8 53 780 A V H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.904 107.2 49.3 -56.0 -42.7 18.7 28.5 -0.3 54 781 A V H X S+ 0 0 62 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.939 111.3 48.7 -66.4 -46.0 18.1 30.6 -3.4 55 782 A K H X S+ 0 0 126 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.880 113.0 47.9 -57.5 -42.4 16.5 33.4 -1.4 56 783 A W H < S+ 0 0 8 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.870 110.1 52.3 -68.4 -37.2 19.4 33.3 1.0 57 784 A A H >< S+ 0 0 3 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.842 100.3 63.1 -67.5 -35.6 21.9 33.4 -1.9 58 785 A K H 3< S+ 0 0 132 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.832 114.5 32.2 -52.6 -37.4 20.1 36.4 -3.3 59 786 A V T 3< S+ 0 0 85 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.110 86.7 125.6-114.9 18.5 21.1 38.5 -0.2 60 787 A L X> - 0 0 3 -3,-1.1 3,-1.7 1,-0.1 4,-0.5 -0.710 66.9-113.0 -84.9 120.9 24.4 36.9 0.6 61 788 A P T 34 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.220 99.0 10.1 -59.5 140.0 27.3 39.5 0.9 62 789 A G T >4 S+ 0 0 24 1,-0.1 3,-0.6 109,-0.0 106,-0.1 -0.003 106.4 94.6 80.6 -27.9 29.9 39.1 -1.8 63 790 A F T <4 S+ 0 0 0 -3,-1.7 3,-0.4 1,-0.2 -1,-0.1 0.685 81.2 50.7 -75.6 -18.0 27.7 36.6 -3.7 64 791 A K T 3< S+ 0 0 105 -4,-0.5 -1,-0.2 1,-0.2 4,-0.1 0.569 91.3 74.6 -94.8 -10.7 26.1 39.2 -6.0 65 792 A N S < S+ 0 0 122 -3,-0.6 -1,-0.2 99,-0.1 -2,-0.2 0.524 89.6 87.5 -64.6 -7.6 29.5 40.5 -7.0 66 793 A L S S- 0 0 5 -3,-0.4 5,-0.1 -4,-0.1 -4,-0.0 -0.798 90.8-105.9 -98.8 138.1 29.4 37.2 -8.9 67 794 A P >> - 0 0 27 0, 0.0 4,-2.2 0, 0.0 3,-1.1 -0.219 33.6-110.4 -55.0 147.0 28.0 36.7 -12.5 68 795 A L H 3> S+ 0 0 120 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.807 118.6 54.7 -52.3 -37.0 24.6 34.9 -12.7 69 796 A E H 3> S+ 0 0 100 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.846 109.6 47.2 -67.4 -33.4 26.3 31.9 -14.3 70 797 A D H <> S+ 0 0 5 -3,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.862 110.8 51.1 -73.8 -41.1 28.8 31.6 -11.4 71 798 A Q H X S+ 0 0 22 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.943 113.4 45.4 -58.5 -48.9 26.0 31.9 -8.8 72 799 A I H X S+ 0 0 77 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.925 113.5 50.9 -61.8 -46.2 24.0 29.2 -10.5 73 800 A T H X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.931 109.7 47.7 -55.2 -53.4 27.1 27.0 -10.8 74 801 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.888 113.2 48.5 -63.1 -38.8 28.2 27.2 -7.2 75 802 A I H X S+ 0 0 23 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.916 111.4 49.6 -65.2 -44.0 24.6 26.5 -6.0 76 803 A Q H < S+ 0 0 18 -4,-2.5 4,-0.2 1,-0.2 -2,-0.2 0.890 116.0 43.9 -62.5 -38.6 24.3 23.5 -8.3 77 804 A Y H < S+ 0 0 11 -4,-2.4 -2,-0.2 -5,-0.2 3,-0.2 0.870 124.8 30.3 -72.7 -35.4 27.7 22.2 -7.1 78 805 A S H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 3,-0.5 0.467 81.0 103.8-111.1 -1.8 27.2 22.8 -3.4 79 806 A W H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.3 5,-0.2 0.852 85.6 51.6 -54.4 -37.9 23.5 22.4 -2.6 80 807 A M H > S+ 0 0 23 -4,-0.2 4,-2.4 -3,-0.2 -1,-0.3 0.903 110.3 48.5 -66.2 -41.9 24.0 19.0 -1.1 81 808 A S H > S+ 0 0 2 -3,-0.5 4,-2.4 -4,-0.2 5,-0.2 0.914 112.4 49.2 -60.6 -47.5 26.8 20.3 1.2 82 809 A L H X S+ 0 0 4 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.934 115.5 42.1 -57.3 -49.6 24.7 23.2 2.3 83 810 A L H X S+ 0 0 21 -4,-2.4 4,-1.7 -5,-0.2 -2,-0.2 0.855 116.2 46.7 -74.7 -32.4 21.6 21.1 3.1 84 811 A S H X S+ 0 0 6 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.910 113.1 49.7 -75.9 -39.2 23.5 18.3 4.8 85 812 A F H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.894 110.5 50.4 -60.3 -42.2 25.5 20.7 6.9 86 813 A A H X S+ 0 0 9 -4,-2.1 4,-2.6 -5,-0.2 -1,-0.2 0.861 108.0 54.4 -66.3 -35.0 22.3 22.5 7.9 87 814 A L H X S+ 0 0 11 -4,-1.7 4,-2.3 2,-0.2 14,-0.5 0.915 107.1 49.5 -59.0 -47.7 20.9 19.1 8.9 88 815 A S H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.895 112.6 49.8 -60.8 -36.1 23.8 18.4 11.1 89 816 A W H X S+ 0 0 15 -4,-1.9 4,-2.9 2,-0.2 5,-0.3 0.908 110.7 46.0 -70.8 -45.0 23.3 21.9 12.7 90 817 A R H X S+ 0 0 22 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.890 112.5 52.4 -66.1 -37.4 19.6 21.5 13.3 91 818 A S H X S+ 0 0 0 -4,-2.3 6,-2.5 -5,-0.2 4,-1.2 0.883 114.2 43.6 -59.0 -42.7 20.3 18.0 14.8 92 819 A Y H X S+ 0 0 15 -4,-1.8 4,-0.7 4,-0.3 -2,-0.2 0.910 120.3 39.2 -69.5 -45.8 22.9 19.5 17.1 93 820 A K H < S+ 0 0 109 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.879 124.4 34.8 -76.4 -40.6 20.9 22.6 18.1 94 821 A H H < S+ 0 0 90 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.651 134.2 18.4 -95.8 -15.9 17.4 21.1 18.4 95 822 A T H >< S- 0 0 13 -4,-1.2 3,-1.1 -5,-0.4 -3,-0.2 0.287 99.6-111.9-135.8 7.2 18.1 17.6 19.8 96 823 A N T 3< S- 0 0 127 -4,-0.7 -4,-0.3 1,-0.2 -3,-0.1 0.909 76.6 -60.7 58.1 42.0 21.6 17.9 21.1 97 824 A S T 3 S+ 0 0 4 -6,-2.5 -1,-0.2 2,-0.2 -5,-0.2 0.682 112.0 120.1 56.7 25.6 22.7 15.5 18.3 98 825 A Q S < S+ 0 0 131 -3,-1.1 2,-0.3 -7,-0.5 -2,-0.1 0.740 79.1 15.3 -79.4 -31.1 20.4 12.8 19.6 99 826 A F S S- 0 0 73 -8,-0.4 2,-0.7 10,-0.1 10,-0.2 -0.857 83.1-100.3-138.2 168.8 18.5 12.7 16.4 100 827 A L E -A 108 0A 1 8,-2.3 8,-3.3 -2,-0.3 2,-1.3 -0.897 35.2-156.8 -95.3 113.0 18.7 13.8 12.7 101 828 A Y E +A 107 0A 37 -2,-0.7 6,-0.2 -14,-0.5 -11,-0.1 -0.669 28.2 159.3 -97.8 81.8 16.5 16.8 12.7 102 829 A F E S- 0 0 24 -2,-1.3 -1,-0.2 4,-1.2 -79,-0.2 0.923 74.6 -21.9 -67.3 -44.2 15.4 17.0 9.0 103 830 A A E > S-A 106 0A 0 3,-1.6 3,-1.5 -3,-0.2 -1,-0.3 -0.937 72.3 -96.9-156.5 164.3 12.4 19.2 9.8 104 831 A P T 3 S+ 0 0 40 0, 0.0 3,-0.2 0, 0.0 -80,-0.1 0.833 129.6 41.8 -62.2 -24.5 10.3 19.8 12.9 105 832 A D T 3 S+ 0 0 49 1,-0.2 2,-0.2 -4,-0.0 -81,-0.1 0.292 115.6 55.3 -99.7 6.0 7.8 17.2 11.6 106 833 A L E < +A 103 0A 2 -3,-1.5 -3,-1.6 2,-0.0 -4,-1.2 -0.694 61.0 157.3-144.8 88.8 10.5 14.9 10.4 107 834 A V E -A 101 0A 51 -2,-0.2 2,-0.5 -6,-0.2 -6,-0.2 -0.948 30.1-141.6-116.5 124.8 13.1 13.8 13.0 108 835 A F E +A 100 0A 1 -8,-3.3 -8,-2.3 -2,-0.5 2,-0.2 -0.784 18.6 179.8 -95.4 128.7 15.0 10.5 12.4 109 836 A N > - 0 0 68 -2,-0.5 4,-2.0 -10,-0.2 3,-0.2 -0.438 55.8 -80.3 -96.3-175.5 15.9 8.1 15.2 110 837 A E H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.920 130.1 57.9 -53.1 -46.5 17.8 4.8 14.4 111 838 A E H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.897 108.6 44.1 -54.1 -46.9 14.6 3.1 13.2 112 839 A K H > S+ 0 0 29 2,-0.2 4,-2.2 -3,-0.2 -1,-0.2 0.841 108.6 58.4 -66.3 -36.6 14.0 5.8 10.5 113 840 A M H <>S+ 0 0 5 -4,-2.0 5,-0.7 2,-0.2 4,-0.2 0.925 110.8 42.3 -61.1 -42.3 17.7 5.8 9.5 114 841 A H H ><5S+ 0 0 105 -4,-2.4 3,-1.8 1,-0.2 5,-0.3 0.944 114.0 52.6 -64.8 -47.2 17.4 2.0 8.8 115 842 A Q H 3<5S+ 0 0 61 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.785 98.2 63.7 -61.1 -31.3 14.0 2.5 7.1 116 843 A S T 3<5S- 0 0 0 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.590 102.3-131.3 -67.5 -12.7 15.3 5.2 4.7 117 844 A A T < 5S+ 0 0 63 -3,-1.8 -3,-0.1 -4,-0.2 -2,-0.1 0.627 91.7 86.9 59.9 17.3 17.6 2.6 3.1 118 845 A M >< + 0 0 28 -5,-0.7 4,-2.4 1,-0.1 3,-0.3 -0.315 46.7 146.1-129.3 54.6 20.5 5.1 3.5 119 846 A Y H > S+ 0 0 54 -5,-0.3 4,-2.3 1,-0.2 5,-0.1 0.899 70.1 47.9 -58.0 -47.5 21.5 4.1 7.0 120 847 A E H > S+ 0 0 154 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.796 110.9 51.3 -70.2 -29.5 25.2 4.7 6.6 121 848 A L H > S+ 0 0 23 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.890 109.5 50.1 -71.7 -43.6 24.7 8.1 5.0 122 849 A C H X S+ 0 0 3 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.906 110.1 51.8 -54.9 -45.0 22.5 9.1 7.9 123 850 A Q H X S+ 0 0 81 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.887 105.7 54.7 -58.6 -44.9 25.2 7.9 10.3 124 851 A G H X S+ 0 0 15 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.912 112.2 43.3 -54.2 -46.2 27.8 10.0 8.4 125 852 A M H X S+ 0 0 4 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.859 112.0 52.7 -72.6 -35.1 25.7 13.1 8.9 126 853 A H H X S+ 0 0 36 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.910 104.9 56.5 -62.4 -41.9 24.9 12.2 12.5 127 854 A Q H X S+ 0 0 100 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.883 103.5 54.1 -56.2 -40.5 28.7 11.9 13.1 128 855 A I H X S+ 0 0 3 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.935 108.3 49.4 -60.1 -44.7 29.1 15.5 11.9 129 856 A S H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -2,-0.2 0.825 107.5 53.9 -60.1 -38.1 26.4 16.6 14.5 130 857 A L H X S+ 0 0 73 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.828 106.3 52.8 -68.1 -32.0 28.3 14.7 17.2 131 858 A Q H X S+ 0 0 53 -4,-1.9 4,-3.0 2,-0.2 5,-0.3 0.876 101.4 59.6 -66.9 -36.4 31.4 16.6 16.2 132 859 A F H X>S+ 0 0 0 -4,-1.8 5,-2.1 1,-0.2 4,-1.3 0.880 107.8 47.2 -56.8 -36.0 29.4 19.8 16.6 133 860 A V H <5S+ 0 0 56 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.922 110.7 49.4 -72.9 -46.7 28.9 18.7 20.3 134 861 A R H <5S+ 0 0 235 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.921 122.1 35.5 -52.3 -47.3 32.7 17.8 20.7 135 862 A L H <5S- 0 0 23 -4,-3.0 -1,-0.2 -5,-0.1 -2,-0.2 0.666 99.3-135.1 -79.9 -20.6 33.5 21.3 19.3 136 863 A Q T <5 - 0 0 118 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.973 31.8-150.0 53.7 55.8 30.6 23.1 20.8 137 864 A L < - 0 0 2 -5,-2.1 2,-0.3 -6,-0.1 -1,-0.1 -0.247 4.8-135.1 -57.4 142.0 30.2 24.8 17.4 138 865 A T > - 0 0 53 1,-0.1 4,-2.9 -3,-0.1 5,-0.1 -0.679 17.2-118.4 -98.2 156.1 28.7 28.3 17.5 139 866 A F H > S+ 0 0 52 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.890 117.4 54.3 -52.8 -42.7 26.0 29.7 15.3 140 867 A E H > S+ 0 0 77 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.927 110.9 43.0 -60.8 -48.1 28.6 32.3 14.1 141 868 A E H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.895 114.3 54.3 -63.2 -38.8 31.1 29.6 13.1 142 869 A Y H X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.940 106.8 47.7 -60.4 -51.4 28.2 27.6 11.6 143 870 A T H X S+ 0 0 3 -4,-2.9 4,-1.5 1,-0.2 -1,-0.2 0.858 114.9 46.1 -62.8 -36.6 26.9 30.4 9.3 144 871 A I H X S+ 0 0 0 -4,-1.6 4,-2.3 -5,-0.2 -1,-0.2 0.930 111.3 51.6 -70.8 -45.3 30.5 31.2 8.0 145 872 A M H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.865 106.2 56.1 -58.7 -37.1 31.3 27.6 7.5 146 873 A K H X S+ 0 0 11 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.881 107.4 47.5 -65.4 -41.5 28.0 27.2 5.5 147 874 A V H X S+ 0 0 0 -4,-1.5 4,-1.2 2,-0.2 -1,-0.2 0.888 108.5 55.8 -62.7 -39.7 29.1 30.0 3.1 148 875 A L H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.851 105.3 52.4 -63.6 -30.6 32.5 28.3 2.8 149 876 A L H >< S+ 0 0 3 -4,-1.7 3,-1.5 1,-0.2 4,-0.2 0.852 103.6 56.6 -69.1 -35.0 30.7 25.2 1.7 150 877 A L H 3< S+ 0 0 0 -4,-1.5 3,-0.3 1,-0.3 -1,-0.2 0.823 113.6 41.3 -63.5 -29.0 28.9 27.2 -0.9 151 878 A L T 3< S+ 0 0 0 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.013 90.2 95.8-105.9 24.0 32.3 28.2 -2.2 152 879 A S S < S+ 0 0 6 -3,-1.5 95,-4.2 1,-0.2 2,-0.4 0.579 79.9 46.9 -97.8 -10.6 33.9 24.7 -1.8 153 880 A T E +B 246 0B 15 -3,-0.3 -1,-0.2 93,-0.3 -76,-0.2 -0.986 61.4 170.2-135.2 129.7 33.4 23.4 -5.4 154 881 A I E -B 245 0B 4 91,-2.5 91,-3.0 -2,-0.4 2,-0.1 -0.823 45.7 -78.6-127.3 164.2 34.2 25.1 -8.7 155 882 A P E > -B 244 0B 19 0, 0.0 3,-3.0 0, 0.0 89,-0.2 -0.425 50.3-111.9 -60.4 141.0 34.4 24.2 -12.4 156 883 A K T 3 S+ 0 0 116 87,-2.6 88,-0.1 1,-0.3 3,-0.1 0.698 118.8 38.4 -52.0 -24.0 37.7 22.4 -13.1 157 884 A D T 3 S- 0 0 121 1,-0.3 -1,-0.3 86,-0.3 87,-0.1 0.248 122.8-100.3-113.3 10.3 38.9 25.3 -15.2 158 885 A G < - 0 0 20 -3,-3.0 -1,-0.3 3,-0.0 2,-0.1 -0.117 37.7 -63.4 103.4 169.1 37.4 28.0 -13.0 159 886 A L > - 0 0 15 -3,-0.1 3,-0.8 1,-0.1 4,-0.1 -0.430 45.9-107.5 -86.5 164.2 34.5 30.4 -12.7 160 887 A K T 3 S+ 0 0 146 1,-0.3 2,-0.3 -2,-0.1 3,-0.1 0.837 123.0 31.8 -59.9 -35.8 33.5 33.2 -15.1 161 888 A S T 3> S+ 0 0 37 1,-0.1 4,-1.9 -94,-0.1 -1,-0.3 -0.657 74.6 161.6-121.0 75.2 34.7 35.7 -12.4 162 889 A Q H <> S+ 0 0 53 -3,-0.8 4,-2.5 -2,-0.3 5,-0.2 0.870 71.9 54.2 -63.0 -41.0 37.5 33.7 -10.7 163 890 A A H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 109.7 46.2 -61.1 -44.0 39.2 36.8 -9.1 164 891 A A H > S+ 0 0 17 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.882 113.3 49.9 -68.8 -39.2 36.0 37.9 -7.4 165 892 A F H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.918 111.1 49.3 -60.0 -47.0 35.2 34.4 -6.2 166 893 A E H X S+ 0 0 90 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.898 112.9 47.7 -59.8 -44.7 38.8 34.1 -4.8 167 894 A E H X S+ 0 0 121 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.924 113.7 46.5 -60.9 -49.1 38.4 37.4 -3.1 168 895 A M H X S+ 0 0 8 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.896 112.8 49.8 -64.2 -42.1 35.0 36.5 -1.6 169 896 A R H X S+ 0 0 33 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.934 110.5 49.5 -61.6 -47.8 36.2 33.1 -0.5 170 897 A T H X S+ 0 0 67 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.847 108.1 55.3 -58.4 -38.5 39.3 34.6 1.3 171 898 A N H X S+ 0 0 80 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.894 110.3 43.9 -65.3 -40.6 37.1 37.2 3.0 172 899 A Y H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.890 111.7 52.6 -73.7 -36.6 34.9 34.5 4.5 173 900 A I H X S+ 0 0 35 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.923 111.3 48.9 -58.3 -43.0 37.9 32.4 5.5 174 901 A K H X S+ 0 0 112 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.921 108.5 53.3 -59.5 -46.1 39.2 35.6 7.2 175 902 A E H X S+ 0 0 34 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.875 109.6 48.4 -57.0 -40.5 35.8 35.9 8.9 176 903 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.958 111.0 50.2 -64.2 -49.8 36.1 32.4 10.2 177 904 A R H X S+ 0 0 55 -4,-2.5 4,-0.7 1,-0.2 3,-0.3 0.904 112.5 46.6 -53.9 -48.7 39.7 33.1 11.4 178 905 A K H >< S+ 0 0 141 -4,-2.9 3,-0.6 1,-0.2 -1,-0.2 0.861 110.2 55.7 -60.8 -37.0 38.5 36.3 13.2 179 906 A M H 3< S+ 0 0 59 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.785 99.3 57.6 -70.3 -30.2 35.6 34.4 14.7 180 907 A V H 3< 0 0 15 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.683 360.0 360.0 -78.7 -15.0 37.6 31.6 16.4 181 908 A T << 0 0 134 -4,-0.7 -3,-0.0 -3,-0.6 0, 0.0 -0.218 360.0 360.0 -57.1 360.0 39.6 34.2 18.4 182 ! 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 0.0 183 915 A G > 0 0 82 0, 0.0 4,-1.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-110.0 47.7 28.5 20.8 184 916 A Q H > + 0 0 177 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.755 360.0 61.5 -70.2 -27.9 44.0 27.6 21.2 185 917 A S H > S+ 0 0 29 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 104.9 45.4 -63.6 -51.1 42.9 29.9 18.3 186 918 A W H > S+ 0 0 132 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.858 110.5 53.8 -62.6 -40.6 44.9 28.1 15.6 187 919 A Q H X S+ 0 0 121 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.887 109.2 47.4 -65.9 -42.8 43.8 24.6 16.8 188 920 A R H X S+ 0 0 52 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.944 111.5 51.2 -64.6 -46.5 40.1 25.5 16.6 189 921 A F H X S+ 0 0 15 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.905 111.9 46.7 -56.9 -45.1 40.5 27.0 13.2 190 922 A Y H X S+ 0 0 118 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.885 109.4 53.8 -68.7 -35.8 42.2 23.9 11.9 191 923 A Q H X S+ 0 0 73 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.887 111.5 47.0 -61.6 -38.4 39.6 21.6 13.4 192 924 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.894 111.5 48.5 -69.3 -41.7 36.9 23.6 11.6 193 925 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 56,-0.3 0.886 111.6 52.4 -66.1 -36.1 38.8 23.6 8.2 194 926 A K H X S+ 0 0 129 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.905 107.9 49.9 -61.6 -45.5 39.3 19.8 8.7 195 927 A L H X S+ 0 0 2 -4,-1.9 4,-0.8 2,-0.2 -2,-0.2 0.903 110.5 50.8 -61.0 -42.2 35.6 19.3 9.3 196 928 A L H >< S+ 0 0 8 -4,-2.2 3,-1.1 1,-0.2 4,-0.5 0.936 110.3 48.6 -61.4 -48.6 34.8 21.3 6.1 197 929 A D H >X S+ 0 0 18 -4,-2.4 3,-1.5 1,-0.3 4,-0.6 0.895 105.1 58.8 -52.0 -44.3 37.3 19.2 4.1 198 930 A S H 3X S+ 0 0 42 -4,-2.3 4,-1.5 1,-0.3 3,-0.4 0.739 92.0 71.3 -64.2 -20.1 35.7 16.1 5.5 199 931 A M H S+ 0 0 14 -3,-1.5 4,-2.5 -4,-0.5 -1,-0.2 0.903 104.4 43.7 -58.1 -47.0 33.5 16.6 0.4 201 933 A D H X S+ 0 0 108 -4,-0.6 4,-1.7 -3,-0.4 -2,-0.2 0.906 116.3 46.5 -68.9 -42.7 33.7 12.8 1.0 202 934 A L H X S+ 0 0 36 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.916 115.5 47.0 -60.4 -46.8 30.4 12.7 2.8 203 935 A V H X S+ 0 0 8 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.860 106.6 56.4 -67.7 -36.7 28.8 14.8 0.1 204 936 A 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