==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-MAR-04 1SR2 . COMPND 2 MOLECULE: PUTATIVE SENSOR-LIKE HISTIDINE KINASE YOJN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR V.V.ROGOV,F.BERNHARD,F.LOEHR,V.DOETSCH . 116 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8291.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 67.2 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 . 0 0.0 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 4 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 4 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 56.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 4.3 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 0 0 1 0 0 0 0 0 1 1 0 0 2 0 0 0 0 0 0 0 0 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 775 A M 0 0 175 0, 0.0 5,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 81.1 -49.8 -0.3 41.5 2 776 A Q + 0 0 177 3,-0.1 0, 0.0 0, 0.0 0, 0.0 0.629 360.0 24.8-116.1 -27.1 -51.7 2.9 40.7 3 777 A E S S+ 0 0 131 2,-0.1 3,-0.2 0, 0.0 0, 0.0 0.819 137.3 16.1-102.3 -77.4 -49.0 5.2 39.5 4 778 A A S S+ 0 0 60 1,-0.2 2,-0.5 3,-0.0 0, 0.0 0.851 81.8 152.8 -69.3 -34.9 -46.0 3.3 38.0 5 779 A V - 0 0 81 2,-0.0 2,-0.3 1,-0.0 -1,-0.2 -0.174 64.2 -16.1 41.7 -90.6 -48.1 0.1 37.7 6 780 A L - 0 0 146 -2,-0.5 2,-0.3 -3,-0.2 3,-0.1 -0.998 59.3-164.4-144.0 142.9 -46.3 -1.6 34.8 7 781 A Q - 0 0 154 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.843 28.3-129.0-121.1 162.5 -43.9 -0.5 32.1 8 782 A L S S- 0 0 133 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 0.926 79.6 -64.4 -73.6 -45.8 -42.8 -2.1 28.8 9 783 A I - 0 0 88 -3,-0.1 -1,-0.1 1,-0.1 0, 0.0 -0.600 52.0 -98.4-163.4-126.1 -39.1 -1.6 29.8 10 784 A E S S+ 0 0 147 -2,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.457 107.0 16.3-142.4 -39.8 -37.1 1.6 30.3 11 785 A V S S- 0 0 38 3,-0.1 4,-0.1 4,-0.0 5,-0.1 0.768 80.6-150.7-108.5 -37.9 -35.1 2.4 27.2 12 786 A Q S S- 0 0 116 1,-0.2 3,-0.1 2,-0.1 -3,-0.0 0.998 77.9 -29.3 63.0 73.2 -36.8 0.2 24.5 13 787 A L S S+ 0 0 174 1,-0.2 2,-0.3 2,-0.1 3,-0.2 0.737 120.8 113.0 61.3 23.6 -34.0 -0.6 22.1 14 788 A A + 0 0 43 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 -0.772 52.6 38.2-120.1 168.0 -32.4 2.8 23.1 15 789 A Q S S+ 0 0 170 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.730 91.3 115.9 63.2 23.2 -29.2 3.8 24.9 16 790 A E - 0 0 153 -3,-0.2 2,-0.4 -5,-0.1 -1,-0.3 -0.889 53.1-150.6-118.8 156.9 -27.4 1.0 23.2 17 791 A E - 0 0 159 -2,-0.3 2,-0.7 -3,-0.1 3,-0.1 -0.977 11.3-162.4-133.9 120.4 -24.5 1.1 20.7 18 792 A V + 0 0 146 -2,-0.4 -2,-0.0 1,-0.2 -1,-0.0 -0.281 50.1 129.4 -93.8 49.3 -23.8 -1.4 18.0 19 793 A T + 0 0 124 -2,-0.7 -1,-0.2 0, 0.0 2,-0.0 0.035 40.0 114.7 -94.0 26.2 -20.3 -0.1 17.6 20 794 A E + 0 0 168 -3,-0.1 -2,-0.0 2,-0.0 0, 0.0 -0.075 34.5 72.0 -82.6-169.0 -18.8 -3.6 17.9 21 795 A S - 0 0 105 2,-0.1 3,-0.1 -2,-0.0 -3,-0.0 0.946 61.7-161.8 59.1 97.5 -16.9 -5.6 15.2 22 796 A P - 0 0 122 0, 0.0 2,-0.1 0, 0.0 -2,-0.0 0.353 49.7 -17.2 -80.0-144.3 -13.5 -4.1 14.7 23 797 A L S S+ 0 0 144 2,-0.0 -2,-0.1 4,-0.0 0, 0.0 -0.403 97.9 82.1 -65.0 133.1 -11.1 -4.6 11.7 24 798 A G + 0 0 62 -2,-0.1 0, 0.0 -3,-0.1 0, 0.0 0.340 36.4 112.7 132.3 96.9 -12.0 -7.6 9.6 25 799 A G S S- 0 0 65 -4,-0.0 -2,-0.0 0, 0.0 -4,-0.0 0.320 93.5 -41.6-142.4 -68.5 -14.6 -7.9 6.9 26 800 A D S > S+ 0 0 89 2,-0.0 4,-2.7 3,-0.0 3,-0.4 -0.048 73.2 148.7-165.9 40.3 -13.3 -8.4 3.3 27 801 A E H > S+ 0 0 85 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.832 75.7 50.5 -55.0 -40.1 -10.3 -6.1 3.1 28 802 A N H > S+ 0 0 67 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.883 112.1 47.4 -69.4 -36.5 -8.4 -8.3 0.7 29 803 A A H > S+ 0 0 43 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.875 110.1 54.2 -69.4 -36.9 -11.5 -8.5 -1.6 30 804 A Q H X S+ 0 0 93 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.937 108.4 47.5 -60.5 -48.5 -11.9 -4.8 -1.3 31 805 A L H X>S+ 0 0 12 -4,-2.4 4,-1.1 1,-0.2 5,-0.8 0.822 112.0 52.0 -64.4 -31.3 -8.3 -4.2 -2.5 32 806 A H H <5S+ 0 0 117 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.894 110.5 47.8 -68.2 -40.1 -9.0 -6.7 -5.3 33 807 A A H <5S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.850 107.3 54.6 -71.7 -36.1 -12.1 -4.8 -6.3 34 808 A S H <5S- 0 0 87 -4,-2.3 -1,-0.2 -5,-0.1 -2,-0.2 0.831 111.9-120.4 -68.2 -31.2 -10.4 -1.4 -6.3 35 809 A G T ><5S+ 0 0 39 -4,-1.1 3,-1.5 -5,-0.2 4,-0.3 0.368 81.7 119.1 107.7 -1.0 -7.8 -2.7 -8.7 36 810 A Y T 3>< + 0 0 102 -5,-0.8 4,-1.9 1,-0.3 3,-0.5 0.493 52.9 89.8 -76.8 -0.6 -4.8 -2.1 -6.5 37 811 A Y H 3> S+ 0 0 45 -6,-0.8 4,-1.4 1,-0.2 -1,-0.3 0.801 77.7 64.3 -61.1 -29.5 -4.2 -5.9 -6.6 38 812 A A H <4 S+ 0 0 68 -3,-1.5 -1,-0.2 1,-0.2 3,-0.2 0.896 105.6 42.5 -60.5 -40.5 -2.1 -5.1 -9.7 39 813 A L H >>>S+ 0 0 74 -3,-0.5 5,-1.3 -4,-0.3 3,-1.2 0.866 106.6 63.5 -71.9 -36.6 0.3 -3.2 -7.5 40 814 A F H 3<5S+ 0 0 1 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.798 112.9 34.1 -59.2 -31.9 0.1 -5.9 -4.8 41 815 A V T 3<5S+ 0 0 79 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.330 118.0 57.7-106.4 6.3 1.6 -8.4 -7.3 42 816 A D T <45S- 0 0 114 -3,-1.2 4,-0.5 -4,-0.2 -3,-0.2 0.839 124.1 -2.3 -97.4 -81.3 3.9 -5.9 -9.0 43 817 A T T X5S+ 0 0 62 -4,-0.8 4,-2.2 2,-0.1 5,-0.2 0.722 120.4 72.0 -89.0 -21.9 6.3 -4.1 -6.7 44 818 A V H > S+ 0 0 41 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.823 114.7 57.9 -62.5 -28.7 6.6 -9.2 -3.8 46 820 A D H > S+ 0 0 70 -4,-0.5 4,-1.6 2,-0.2 -2,-0.2 0.903 108.5 43.8 -66.6 -41.9 9.6 -7.7 -5.5 47 821 A D H X S+ 0 0 17 -4,-2.2 4,-2.8 -3,-0.2 -1,-0.2 0.852 113.4 53.4 -70.7 -34.0 10.3 -5.6 -2.4 48 822 A V H X S+ 0 0 5 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.945 111.1 43.4 -65.7 -49.3 9.6 -8.7 -0.2 49 823 A K H X S+ 0 0 108 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.823 114.0 52.8 -67.3 -29.1 12.1 -10.9 -2.0 50 824 A R H X S+ 0 0 57 -4,-1.6 4,-3.7 -5,-0.2 5,-0.4 0.931 103.8 56.3 -68.1 -44.3 14.5 -8.0 -2.0 51 825 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.923 109.7 46.2 -48.0 -49.9 14.0 -7.7 1.8 52 826 A Y H X S+ 0 0 92 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.915 114.9 47.0 -59.4 -45.0 15.1 -11.3 2.0 53 827 A T H X S+ 0 0 74 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.923 114.9 44.1 -66.7 -45.5 18.0 -10.7 -0.3 54 828 A E H X>S+ 0 0 45 -4,-3.7 5,-3.0 1,-0.2 4,-0.7 0.817 110.0 57.0 -71.7 -30.2 19.2 -7.5 1.5 55 829 A A H <5S+ 0 0 23 -4,-2.3 3,-0.3 -5,-0.4 -1,-0.2 0.890 102.2 56.2 -64.7 -39.3 18.7 -9.3 4.9 56 830 A A H <5S+ 0 0 86 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.905 113.2 39.3 -57.7 -43.6 21.1 -12.0 3.7 57 831 A T H <5S- 0 0 104 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.564 112.3-125.6 -81.3 -10.3 23.7 -9.3 3.1 58 832 A S T <5 + 0 0 57 -4,-0.7 2,-1.9 -3,-0.3 -3,-0.2 0.819 49.4 163.5 66.5 33.8 22.6 -7.6 6.3 59 833 A D >>< + 0 0 71 -5,-3.0 4,-2.2 1,-0.2 3,-1.2 -0.576 9.3 175.3 -82.8 76.5 22.1 -4.3 4.3 60 834 A F H 3> S+ 0 0 51 -2,-1.9 4,-2.7 1,-0.3 -1,-0.2 0.758 74.5 65.2 -55.1 -27.7 20.0 -2.7 7.0 61 835 A A H 3> S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.907 108.6 38.2 -60.9 -40.0 19.9 0.4 4.9 62 836 A A H <> S+ 0 0 7 -3,-1.2 4,-2.1 2,-0.2 5,-0.2 0.835 113.9 55.5 -82.2 -33.9 18.0 -1.4 2.2 63 837 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.906 110.6 46.7 -60.2 -43.0 16.0 -3.2 4.8 64 838 A A H X S+ 0 0 29 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.937 111.1 48.8 -67.6 -49.3 14.9 0.1 6.3 65 839 A Q H X S+ 0 0 101 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.893 115.9 44.4 -61.0 -39.6 14.1 1.8 3.0 66 840 A T H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 5,-0.2 0.879 110.8 53.9 -73.3 -37.3 11.9 -1.1 1.9 67 841 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.911 113.1 44.1 -60.3 -41.3 10.3 -1.4 5.4 68 842 A H H X S+ 0 0 100 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.872 113.3 51.5 -69.6 -38.1 9.4 2.3 5.0 69 843 A R H X S+ 0 0 172 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.939 112.6 44.7 -61.9 -47.9 8.3 1.7 1.4 70 844 A L H X S+ 0 0 3 -4,-3.4 4,-2.8 2,-0.2 5,-0.3 0.891 110.6 54.8 -65.0 -41.0 6.1 -1.2 2.5 71 845 A K H X S+ 0 0 28 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.918 112.0 45.1 -56.3 -44.1 4.8 0.8 5.4 72 846 A G H X S+ 0 0 40 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.913 115.0 44.8 -68.6 -44.8 3.8 3.5 3.0 73 847 A V H X S+ 0 0 55 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.846 114.0 49.9 -71.9 -32.4 2.2 1.2 0.4 74 848 A F H X>S+ 0 0 1 -4,-2.8 5,-3.2 2,-0.2 4,-0.6 0.893 111.0 49.4 -70.7 -38.1 0.3 -0.8 3.1 75 849 A A H <5S+ 0 0 41 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.852 110.8 51.4 -64.6 -34.6 -0.9 2.5 4.5 76 850 A M H <5S+ 0 0 126 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 110.5 46.3 -66.5 -41.8 -1.9 3.4 1.0 77 851 A L H <5S- 0 0 30 -4,-2.3 -1,-0.2 2,-0.1 -2,-0.2 0.583 116.1-123.1 -74.5 -11.5 -3.8 0.1 0.7 78 852 A N T <5 + 0 0 139 -4,-0.6 2,-1.1 1,-0.2 -3,-0.2 0.719 60.7 150.2 74.5 25.1 -5.2 1.0 4.1 79 853 A L >< - 0 0 17 -5,-3.2 4,-2.5 1,-0.2 -1,-0.2 -0.743 21.3-179.9 -92.0 92.9 -3.8 -2.2 5.6 80 854 A V H > S+ 0 0 73 -2,-1.1 4,-2.9 1,-0.2 -1,-0.2 0.951 78.8 47.7 -61.9 -55.9 -3.1 -1.3 9.2 81 855 A P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.855 113.6 50.7 -54.5 -36.7 -1.8 -4.7 10.4 82 856 A G H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.945 111.7 44.9 -66.4 -47.8 0.5 -4.8 7.4 83 857 A K H X S+ 0 0 65 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.866 110.1 57.8 -62.7 -35.7 1.8 -1.3 8.0 84 858 A Q H X S+ 0 0 84 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.910 103.7 51.5 -58.8 -44.7 2.2 -2.3 11.6 85 859 A L H X S+ 0 0 24 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.916 111.0 47.6 -58.9 -44.1 4.5 -5.2 10.6 86 860 A C H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.829 109.2 55.3 -66.7 -32.4 6.6 -2.8 8.6 87 861 A E H X S+ 0 0 64 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.937 110.1 43.9 -65.0 -48.0 6.6 -0.5 11.6 88 862 A T H X S+ 0 0 51 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.864 109.7 59.5 -64.8 -34.6 8.0 -3.2 13.9 89 863 A L H X S+ 0 0 0 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.947 106.2 45.2 -57.4 -51.1 10.4 -4.1 11.1 90 864 A E H X S+ 0 0 50 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.878 114.1 50.4 -63.0 -36.4 12.0 -0.6 11.1 91 865 A H H X S+ 0 0 98 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.887 108.4 51.9 -67.3 -38.8 12.1 -0.7 14.9 92 866 A L H <>S+ 0 0 26 -4,-2.8 5,-2.8 1,-0.2 4,-0.4 0.822 108.5 51.8 -67.3 -29.8 13.8 -4.1 14.8 93 867 A I H ><5S+ 0 0 15 -4,-1.8 3,-0.5 3,-0.2 -2,-0.2 0.888 108.0 51.3 -72.4 -38.8 16.3 -2.7 12.4 94 868 A R H 3<5S+ 0 0 171 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.852 113.1 44.9 -64.4 -35.7 17.0 0.2 14.8 95 869 A E T 3<5S- 0 0 108 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.526 109.9-127.0 -85.4 -7.4 17.5 -2.4 17.6 96 870 A K T < 5 + 0 0 120 -3,-0.5 2,-1.4 -4,-0.4 -3,-0.2 0.842 50.5 160.5 62.1 36.7 19.7 -4.5 15.3 97 871 A D >< + 0 0 74 -5,-2.8 4,-2.9 1,-0.2 3,-0.2 -0.664 13.5 178.8 -90.0 82.0 17.5 -7.5 16.0 98 872 A V H > S+ 0 0 73 -2,-1.4 4,-2.7 1,-0.2 5,-0.3 0.913 79.3 48.4 -52.0 -53.2 18.5 -9.6 13.0 99 873 A P H > S+ 0 0 82 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.852 114.4 48.3 -57.5 -35.0 16.3 -12.7 14.0 100 874 A G H > S+ 0 0 12 -3,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.911 109.8 51.8 -70.4 -42.1 13.4 -10.3 14.6 101 875 A I H X S+ 0 0 2 -4,-2.9 4,-2.3 -9,-0.2 5,-0.2 0.957 114.0 42.1 -57.3 -53.4 14.0 -8.6 11.3 102 876 A E H X S+ 0 0 101 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.855 112.0 57.1 -65.6 -33.9 14.0 -11.8 9.3 103 877 A K H X S+ 0 0 101 -4,-1.8 4,-2.2 -5,-0.3 -1,-0.2 0.946 111.0 41.6 -59.1 -49.5 11.0 -13.0 11.4 104 878 A Y H X S+ 0 0 58 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.825 110.5 57.0 -72.4 -31.9 8.9 -10.0 10.4 105 879 A I H X S+ 0 0 0 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.925 111.1 44.4 -59.2 -43.1 10.2 -10.3 6.8 106 880 A S H X S+ 0 0 35 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.869 110.9 54.3 -67.4 -37.0 8.8 -13.9 6.9 107 881 A D H X S+ 0 0 50 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.847 110.8 45.7 -65.7 -35.1 5.6 -12.6 8.6 108 882 A I H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.850 113.1 50.6 -73.7 -34.0 5.2 -10.1 5.8 109 883 A D H X S+ 0 0 36 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.940 113.6 43.6 -69.3 -46.8 5.9 -12.8 3.3 110 884 A S H X S+ 0 0 51 -4,-3.2 4,-2.0 2,-0.2 -1,-0.2 0.884 115.3 51.8 -62.9 -38.5 3.4 -15.1 4.9 111 885 A Y H X S+ 0 0 55 -4,-1.7 4,-1.8 -5,-0.2 3,-0.3 0.971 112.0 43.1 -60.5 -57.9 1.0 -12.1 5.1 112 886 A V H X S+ 0 0 7 -4,-3.1 4,-1.3 1,-0.2 -1,-0.2 0.856 110.8 58.0 -59.6 -36.6 1.3 -11.2 1.5 113 887 A K H < S+ 0 0 134 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.900 108.8 44.1 -61.7 -43.2 1.1 -14.9 0.5 114 888 A S H < S+ 0 0 90 -4,-2.0 -1,-0.2 -3,-0.3 -2,-0.2 0.785 115.2 48.8 -73.2 -27.6 -2.3 -15.2 2.2 115 889 A L H < 0 0 20 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.610 360.0 360.0 -88.1 -13.0 -3.5 -11.9 0.8 116 890 A L < 0 0 94 -4,-1.3 -3,-0.1 -5,-0.2 -75,-0.0 0.017 360.0 360.0 -94.4 360.0 -2.4 -12.9 -2.8