==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 08-APR-08 3CS1 . COMPND 2 MOLECULE: FLAGELLAR CALCIUM-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR J.B.AMES,J.E.LADNER,J.N.WINGARD,H.ROBINSON,A.FISHER . 192 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10243.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 69.8 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 . 6 3.1 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 . 9 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 0 0 0 0 1 0 1 0 0 0 3 0 1 0 0 0 1 0 1 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 . 1 0 1 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 . 1 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 17 A S 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -1.8 32.4 -9.8 -9.6 2 18 A D + 0 0 111 2,-0.1 2,-0.1 68,-0.0 67,-0.0 0.086 360.0 123.3-116.3 14.2 28.7 -9.3 -10.6 3 19 A K S S- 0 0 181 1,-0.1 2,-0.3 2,-0.0 0, 0.0 -0.500 71.8-108.7 -71.1 146.2 28.5 -6.0 -8.7 4 20 A D - 0 0 30 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.655 22.8-156.3 -80.0 134.5 27.5 -3.0 -10.8 5 21 A G + 0 0 63 -2,-0.3 2,-0.3 2,-0.0 -1,-0.1 0.588 62.5 96.5 -91.3 -11.9 30.4 -0.6 -11.4 6 22 A K - 0 0 63 4,-0.1 2,-0.2 3,-0.0 -2,-0.1 -0.615 59.0-155.9 -79.6 139.7 28.3 2.5 -12.1 7 23 A K > - 0 0 136 -2,-0.3 4,-2.0 61,-0.0 5,-0.2 -0.426 38.8 -86.3-100.4-179.3 27.7 4.9 -9.3 8 24 A A H > S+ 0 0 42 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.839 127.3 53.5 -59.3 -44.9 24.8 7.5 -8.8 9 25 A K H > S+ 0 0 136 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 108.4 49.3 -50.4 -53.1 26.7 10.1 -10.9 10 26 A D H > S+ 0 0 54 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.934 114.5 45.9 -54.3 -48.8 27.2 7.8 -13.8 11 27 A R H X S+ 0 0 4 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.907 110.5 52.4 -63.4 -41.7 23.5 6.8 -13.7 12 28 A K H X S+ 0 0 117 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.916 113.1 44.0 -64.7 -44.0 22.3 10.4 -13.4 13 29 A E H X S+ 0 0 106 -4,-2.3 4,-0.6 2,-0.2 3,-0.3 0.904 114.9 48.0 -63.8 -44.8 24.4 11.5 -16.5 14 30 A A H >X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 3,-0.7 0.843 106.0 59.2 -65.4 -35.4 23.3 8.4 -18.6 15 31 A W H 3X S+ 0 0 9 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.842 92.2 67.6 -63.3 -37.6 19.7 8.9 -17.7 16 32 A E H 3< S+ 0 0 114 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.875 115.7 28.5 -43.8 -41.9 19.9 12.5 -19.2 17 33 A R H XX S+ 0 0 78 -3,-0.7 4,-2.9 -4,-0.6 3,-1.8 0.925 119.8 52.4 -88.3 -52.8 20.2 10.7 -22.6 18 34 A I H 3X S+ 0 0 1 -4,-2.9 4,-2.6 1,-0.3 -3,-0.2 0.857 102.7 58.2 -53.6 -45.4 18.4 7.4 -22.0 19 35 A R H 3< S+ 0 0 96 -4,-2.6 -1,-0.3 1,-0.2 5,-0.2 0.599 116.1 37.6 -62.9 -13.1 15.2 9.1 -20.7 20 36 A Q H <4 S+ 0 0 141 -3,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.726 114.5 55.7-104.1 -38.3 15.0 10.9 -24.1 21 37 A A H < S+ 0 0 34 -4,-2.9 -2,-0.2 41,-0.1 -3,-0.2 0.831 94.4 70.1 -63.6 -40.8 16.3 8.0 -26.2 22 38 A I S < S- 0 0 1 -4,-2.6 2,-1.1 -5,-0.2 3,-0.2 -0.769 77.5-144.0 -88.4 119.5 13.7 5.4 -25.1 23 39 A P + 0 0 0 0, 0.0 85,-0.1 0, 0.0 84,-0.1 -0.747 42.1 148.3 -86.4 93.3 10.3 6.3 -26.6 24 40 A R + 0 0 91 -2,-1.1 84,-0.1 -5,-0.2 -5,-0.0 0.548 33.0 109.2-103.9 -16.9 8.1 5.2 -23.7 25 41 A E S S- 0 0 54 -3,-0.2 2,-1.3 1,-0.1 83,-0.0 -0.201 73.1-121.9 -72.0 154.5 5.2 7.7 -24.1 26 42 A K S S+ 0 0 104 4,-0.1 2,-0.3 166,-0.1 163,-0.1 -0.724 73.3 113.1 -94.8 75.8 1.7 7.1 -25.3 27 43 A T S > S- 0 0 60 -2,-1.3 4,-1.5 161,-0.1 5,-0.1 -0.937 77.9-119.7-137.6 161.3 1.8 9.5 -28.2 28 44 A A H > S+ 0 0 74 -2,-0.3 4,-1.9 2,-0.2 5,-0.2 0.860 116.0 59.9 -64.8 -37.9 1.8 9.1 -32.0 29 45 A E H > S+ 0 0 130 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.925 110.8 38.6 -54.9 -48.1 5.2 10.8 -31.9 30 46 A A H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.764 107.6 65.6 -72.3 -32.7 6.6 8.0 -29.7 31 47 A K H X S+ 0 0 74 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.918 105.6 43.2 -60.2 -41.8 4.7 5.3 -31.6 32 48 A Q H X S+ 0 0 89 -4,-1.9 4,-2.3 1,-0.2 3,-0.2 0.888 108.5 57.2 -70.9 -38.9 6.7 6.0 -34.7 33 49 A R H X S+ 0 0 75 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.862 103.5 57.0 -59.9 -29.9 10.0 6.2 -32.9 34 50 A R H X S+ 0 0 0 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.876 104.7 48.8 -69.8 -41.3 9.2 2.7 -31.6 35 51 A I H X S+ 0 0 56 -4,-1.2 4,-2.6 -3,-0.2 5,-0.2 0.964 112.4 49.3 -55.6 -55.1 8.9 1.4 -35.2 36 52 A E H X S+ 0 0 87 -4,-2.3 4,-1.3 1,-0.2 -2,-0.2 0.933 114.1 46.3 -51.7 -52.3 12.2 3.1 -36.1 37 53 A L H X S+ 0 0 22 -4,-2.8 4,-1.1 1,-0.2 3,-0.3 0.896 109.8 53.5 -54.8 -48.3 13.8 1.6 -33.0 38 54 A F H X S+ 0 0 23 -4,-2.8 4,-2.7 1,-0.2 3,-0.4 0.887 105.6 54.2 -58.4 -37.7 12.3 -1.9 -33.7 39 55 A K H < S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.864 104.4 54.6 -65.8 -32.7 13.8 -1.9 -37.2 40 56 A K H < S+ 0 0 107 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.778 114.3 41.0 -67.7 -29.9 17.2 -1.3 -35.8 41 57 A F H < S+ 0 0 5 -4,-1.1 2,-1.9 -3,-0.4 3,-0.3 0.857 104.1 67.6 -81.2 -45.9 16.9 -4.3 -33.5 42 58 A D >< + 0 0 12 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 -0.453 56.1 154.1 -81.2 64.4 15.3 -6.7 -36.1 43 59 A K T 3 S+ 0 0 125 -2,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.837 74.3 51.3 -61.2 -35.0 18.3 -7.0 -38.4 44 60 A N T 3 S- 0 0 126 -3,-0.3 -1,-0.3 4,-0.1 -2,-0.1 0.553 102.9-135.9 -82.5 -3.6 17.0 -10.4 -39.7 45 61 A E < + 0 0 154 -3,-1.1 -2,-0.1 -6,-0.2 -3,-0.1 0.827 67.4 125.0 53.5 36.2 13.6 -8.9 -40.4 46 62 A T S S- 0 0 74 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.565 70.0-133.5 -91.9 -15.8 11.8 -11.8 -38.9 47 63 A G S S+ 0 0 21 1,-0.2 2,-0.4 -9,-0.1 53,-0.4 0.619 79.3 99.8 65.1 11.3 9.8 -9.6 -36.5 48 64 A K - 0 0 81 51,-0.1 2,-0.5 52,-0.1 -2,-0.3 -0.999 58.2-161.7-125.9 126.5 10.8 -12.2 -33.8 49 65 A L B -A 98 0A 0 49,-2.1 49,-2.2 -2,-0.4 2,-0.1 -0.938 3.6-158.1-117.7 124.5 13.6 -11.4 -31.5 50 66 A X >> - 0 0 78 -2,-0.5 4,-1.9 47,-0.2 3,-0.6 -0.413 43.3 -91.9 -83.6 166.8 15.5 -13.9 -29.4 51 67 A Y H 3> S+ 0 0 74 45,-0.3 4,-3.2 1,-0.2 5,-0.2 0.838 123.3 55.2 -50.8 -45.0 17.4 -12.7 -26.3 52 68 A D H 3> S+ 0 0 109 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.886 108.5 50.0 -60.7 -39.1 20.8 -12.2 -28.1 53 69 A E H <> S+ 0 0 39 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.938 113.1 44.2 -60.4 -50.6 19.1 -9.9 -30.5 54 70 A V H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.909 115.2 50.4 -59.4 -45.6 17.4 -7.8 -27.8 55 71 A Y H X S+ 0 0 66 -4,-3.2 4,-2.5 -5,-0.2 -1,-0.2 0.891 109.4 50.5 -57.6 -43.9 20.7 -7.8 -25.9 56 72 A S H X S+ 0 0 31 -4,-2.4 4,-3.3 -5,-0.2 5,-0.3 0.921 114.3 43.1 -63.3 -45.3 22.7 -6.7 -28.9 57 73 A G H X>S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-2.4 0.867 111.4 54.8 -69.5 -38.6 20.3 -3.8 -29.6 58 74 A C H <>S+ 0 0 0 -4,-2.7 6,-2.2 -5,-0.2 5,-0.6 0.945 117.6 38.0 -58.8 -44.8 20.2 -2.9 -25.9 59 75 A L H <5S+ 0 0 51 -4,-2.5 6,-0.3 4,-0.2 -2,-0.2 0.954 130.7 25.5 -63.5 -55.0 23.9 -2.7 -26.0 60 76 A E H <5S+ 0 0 98 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.676 130.9 31.7 -95.6 -27.9 24.5 -1.1 -29.4 61 77 A V T <5S+ 0 0 42 -4,-2.6 -3,-0.2 -5,-0.3 -4,-0.1 0.850 132.8 28.3 -94.5 -55.9 21.4 0.9 -30.2 62 78 A L T < + 0 0 104 -5,-0.6 3,-1.6 -6,-0.5 -4,-0.2 0.940 31.7 168.4 60.6 44.6 23.8 2.0 -25.3 64 80 A L G >> + 0 0 0 -6,-2.2 3,-1.9 1,-0.2 4,-1.7 0.692 61.4 80.1 -61.2 -19.7 22.4 0.8 -21.9 65 81 A D G 34 S+ 0 0 72 -6,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.671 79.4 67.3 -65.0 -17.4 26.0 0.1 -20.8 66 82 A E G <4 S+ 0 0 75 -3,-1.6 -1,-0.3 1,-0.2 -52,-0.2 0.821 109.8 36.3 -65.4 -27.8 26.4 3.8 -20.1 67 83 A F T <4 S+ 0 0 4 -3,-1.9 2,-0.3 1,-0.4 -2,-0.2 0.819 130.3 10.2 -98.0 -39.8 23.9 3.3 -17.2 68 84 A T < - 0 0 8 -4,-1.7 -1,-0.4 -58,-0.1 3,-0.3 -0.990 50.0-145.7-148.5 146.9 24.8 -0.1 -15.9 69 85 A S S S+ 0 0 63 -2,-0.3 3,-0.2 1,-0.2 2,-0.1 0.352 95.6 73.7 -94.1 0.6 27.6 -2.5 -16.4 70 86 A R > + 0 0 38 1,-0.1 4,-1.9 -6,-0.1 5,-0.2 -0.479 50.9 142.8-108.7 57.1 25.0 -5.3 -16.0 71 87 A V H > + 0 0 5 -3,-0.3 4,-2.6 1,-0.2 5,-0.2 0.870 69.3 61.1 -63.9 -39.5 23.2 -5.0 -19.4 72 88 A R H > S+ 0 0 96 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.951 107.0 43.9 -44.2 -59.6 22.8 -8.8 -19.5 73 89 A D H > S+ 0 0 35 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.905 115.2 44.2 -62.9 -52.3 20.7 -8.8 -16.3 74 90 A I H X S+ 0 0 4 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.929 113.4 53.1 -61.6 -42.4 18.4 -5.9 -17.0 75 91 A T H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.908 109.9 48.4 -58.8 -42.9 17.9 -7.1 -20.6 76 92 A K H X S+ 0 0 125 -4,-2.4 4,-2.9 -5,-0.2 -1,-0.2 0.903 111.2 49.4 -65.4 -46.3 16.9 -10.6 -19.4 77 93 A R H X S+ 0 0 46 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.946 115.0 43.7 -55.4 -53.9 14.5 -9.2 -16.8 78 94 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.884 113.2 52.9 -58.9 -40.8 12.8 -6.9 -19.4 79 95 A F H X S+ 0 0 12 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.962 113.6 42.3 -61.5 -53.4 12.8 -9.8 -22.0 80 96 A D H X S+ 0 0 58 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.937 117.0 45.0 -60.0 -53.7 11.0 -12.2 -19.6 81 97 A K H X S+ 0 0 67 -4,-2.6 4,-2.8 2,-0.2 3,-0.4 0.896 110.9 52.0 -57.2 -49.4 8.5 -9.7 -18.2 82 98 A S H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.825 108.6 53.1 -62.7 -33.4 7.5 -8.2 -21.5 83 99 A R H X S+ 0 0 51 -4,-1.6 4,-1.4 -5,-0.3 12,-0.3 0.836 110.6 47.8 -64.9 -34.3 6.9 -11.7 -22.8 84 100 A T H X S+ 0 0 81 -4,-1.3 4,-1.1 -3,-0.4 -2,-0.2 0.904 113.7 44.6 -78.3 -41.6 4.6 -12.3 -19.8 85 101 A L H X S+ 0 0 5 -4,-2.8 4,-2.0 1,-0.2 3,-0.3 0.893 107.6 60.6 -69.7 -37.6 2.6 -9.1 -20.2 86 102 A G H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 5,-0.2 0.902 99.8 55.4 -48.4 -49.9 2.3 -9.7 -23.9 87 103 A S H X>S+ 0 0 27 -4,-1.4 5,-2.3 1,-0.2 4,-0.9 0.902 109.7 49.2 -45.0 -46.2 0.5 -12.9 -23.3 88 104 A K H ><5S+ 0 0 140 -4,-1.1 3,-0.7 -3,-0.3 -2,-0.2 0.954 109.4 45.2 -65.7 -60.0 -2.0 -11.0 -21.2 89 105 A L H 3<5S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.752 119.6 42.6 -61.2 -30.2 -3.0 -8.0 -23.5 90 106 A E H 3<5S- 0 0 87 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.645 104.0-133.3 -88.5 -17.7 -3.3 -10.3 -26.5 91 107 A N T <<5 + 0 0 153 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.902 67.9 115.9 62.4 42.2 -5.2 -12.9 -24.4 92 108 A K S - 0 0 63 -2,-0.6 4,-2.6 -51,-0.2 5,-0.2 -0.396 51.6 -77.9 -88.3-178.3 7.4 -9.7 -31.3 100 116 A F H > S+ 0 0 52 -53,-0.4 4,-2.5 1,-0.2 5,-0.2 0.890 130.3 54.4 -51.3 -45.5 6.8 -6.0 -31.8 101 117 A L H > S+ 0 0 17 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.940 111.3 43.1 -52.9 -57.9 4.3 -5.8 -28.8 102 118 A E H > S+ 0 0 12 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.900 110.3 56.7 -57.4 -45.3 6.7 -7.3 -26.3 103 119 A F H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.924 107.3 50.0 -50.8 -48.3 9.6 -5.1 -27.7 104 120 A R H X S+ 0 0 27 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.888 112.2 46.7 -55.3 -43.9 7.4 -2.0 -26.9 105 121 A L H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.827 108.5 55.9 -69.6 -37.6 6.8 -3.3 -23.4 106 122 A M H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.3 0.902 105.5 52.6 -55.1 -48.6 10.5 -4.1 -22.9 107 123 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.956 111.5 45.2 -55.4 -53.1 11.3 -0.5 -23.8 108 124 A C H X S+ 0 0 5 -4,-1.8 4,-2.8 1,-0.2 -2,-0.2 0.893 111.5 53.2 -54.6 -44.4 8.8 0.7 -21.1 109 125 A Y H X S+ 0 0 4 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.931 111.5 44.8 -58.7 -47.1 10.1 -1.8 -18.5 110 126 A I H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.926 112.8 52.7 -64.9 -42.2 13.8 -0.6 -19.0 111 127 A Y H X S+ 0 0 17 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.944 113.6 42.3 -56.4 -49.6 12.6 2.9 -18.9 112 128 A D H X S+ 0 0 4 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.911 113.2 52.2 -65.6 -46.7 10.8 2.3 -15.6 113 129 A F H X S+ 0 0 8 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.898 113.9 43.2 -60.4 -41.0 13.6 0.2 -14.0 114 130 A F H X S+ 0 0 3 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.901 111.4 54.0 -72.6 -41.8 16.2 2.9 -14.8 115 131 A E H X S+ 0 0 53 -4,-2.3 4,-1.6 -5,-0.3 -2,-0.2 0.897 111.1 47.8 -58.7 -39.1 13.9 5.8 -13.6 116 132 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.833 107.9 54.8 -71.6 -33.5 13.5 3.9 -10.3 117 133 A T H X S+ 0 0 5 -4,-1.3 4,-1.9 2,-0.2 -2,-0.2 0.931 106.2 50.2 -64.2 -43.4 17.2 3.3 -9.9 118 134 A V H X S+ 0 0 18 -4,-2.2 4,-0.7 1,-0.2 -2,-0.2 0.910 111.6 49.8 -62.8 -42.8 17.9 7.0 -10.2 119 135 A M H >< S+ 0 0 30 -4,-1.6 3,-0.8 1,-0.2 4,-0.5 0.894 109.8 50.0 -56.8 -47.2 15.3 7.7 -7.6 120 136 A F H >X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.3 3,-0.9 0.797 101.0 65.7 -68.4 -25.5 16.7 5.0 -5.2 121 137 A D H 3< S+ 0 0 24 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.817 94.4 58.6 -63.1 -31.6 20.2 6.6 -5.7 122 138 A E T << S+ 0 0 150 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.758 115.8 33.8 -74.7 -20.6 18.9 9.6 -4.0 123 139 A I T <4 S+ 0 0 9 -3,-0.9 2,-0.8 -4,-0.5 -2,-0.2 0.675 87.9 100.4-106.8 -20.9 18.1 7.5 -0.9 124 140 A D < - 0 0 13 -4,-2.4 3,-0.3 1,-0.2 7,-0.1 -0.512 47.8-175.3 -71.4 101.5 20.9 4.8 -0.8 125 141 A A S S+ 0 0 87 -2,-0.8 -1,-0.2 1,-0.2 6,-0.1 0.928 78.8 48.9 -69.7 -37.3 23.3 6.2 1.8 126 142 A S S S- 0 0 77 4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.670 99.5-131.5 -78.0 -15.2 26.1 3.6 1.5 127 143 A G S S+ 0 0 58 -3,-0.3 -2,-0.1 3,-0.2 -1,-0.1 0.712 74.6 120.1 65.7 24.9 26.1 3.9 -2.3 128 144 A N S S- 0 0 80 2,-0.3 3,-0.1 -121,-0.0 -3,-0.1 0.181 85.3-111.9 -99.4 10.1 26.0 0.1 -2.4 129 145 A M S S+ 0 0 33 1,-0.3 41,-2.4 -5,-0.1 42,-0.3 0.881 85.3 108.8 54.6 38.4 22.7 -0.2 -4.4 130 146 A L E -B 169 0B 47 39,-0.2 2,-0.4 40,-0.1 -2,-0.3 -0.931 57.8-146.5-129.9 155.3 20.9 -1.6 -1.4 131 147 A V E -B 168 0B 0 37,-2.3 37,-3.1 -2,-0.3 -7,-0.1 -0.998 9.2-145.9-125.2 128.1 18.3 0.1 0.8 132 148 A D E > -B 167 0B 57 -2,-0.4 4,-3.7 35,-0.3 5,-0.2 -0.262 40.2 -89.9 -74.8 174.5 17.9 -0.5 4.5 133 149 A E H > S+ 0 0 106 33,-0.6 4,-2.0 1,-0.2 5,-0.1 0.907 127.2 48.1 -52.7 -47.9 14.5 -0.4 6.2 134 150 A E H > S+ 0 0 151 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.923 115.2 43.6 -63.5 -48.2 14.7 3.3 7.0 135 151 A E H > S+ 0 0 12 1,-0.2 4,-1.4 2,-0.2 3,-0.4 0.911 110.3 57.4 -65.7 -45.5 15.7 4.2 3.4 136 152 A F H >X S+ 0 0 0 -4,-3.7 4,-1.0 1,-0.2 3,-0.5 0.918 106.2 49.8 -42.1 -53.0 13.1 1.8 2.0 137 153 A K H 3< S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.780 106.4 54.7 -66.1 -26.6 10.4 3.7 4.0 138 154 A R H 3< S+ 0 0 131 -4,-1.2 4,-0.5 -3,-0.4 -1,-0.2 0.764 106.9 52.9 -78.6 -22.9 11.5 7.1 2.7 139 155 A A H XX S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.5 3,-0.6 0.806 90.6 81.6 -77.5 -26.1 11.2 5.8 -0.9 140 156 A V H 3X S+ 0 0 10 -4,-1.0 4,-1.6 1,-0.3 3,-0.3 0.864 90.2 44.1 -53.9 -52.8 7.6 4.7 -0.2 141 157 A P H 3> S+ 0 0 72 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.824 111.8 54.9 -62.3 -28.5 5.7 8.0 -0.8 142 158 A K H <> S+ 0 0 102 -3,-0.6 4,-1.9 -4,-0.5 -2,-0.2 0.846 108.2 49.8 -71.2 -32.1 7.8 8.8 -3.9 143 159 A L H X>S+ 0 0 0 -4,-2.0 5,-3.2 -3,-0.3 4,-1.1 0.861 106.8 54.0 -72.0 -36.0 6.8 5.4 -5.3 144 160 A E H <5S+ 0 0 76 -4,-1.6 3,-0.2 3,-0.2 5,-0.2 0.900 113.2 43.8 -63.1 -41.7 3.1 6.1 -4.6 145 161 A A H <5S+ 0 0 90 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.845 110.7 53.9 -70.3 -37.4 3.4 9.3 -6.5 146 162 A W H <5S- 0 0 33 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.657 130.3 -90.9 -75.7 -17.4 5.4 7.7 -9.4 147 163 A G T <5S+ 0 0 33 -4,-1.1 -3,-0.2 -3,-0.2 2,-0.2 0.682 97.9 96.9 114.3 24.3 2.6 5.1 -9.7 148 164 A A < - 0 0 1 -5,-3.2 -3,-0.1 -8,-0.1 -2,-0.1 -0.672 56.3-156.1-139.2 86.1 3.4 2.0 -7.5 149 165 A K - 0 0 122 -5,-0.2 2,-0.8 -2,-0.2 3,-0.1 -0.340 6.3-152.5 -61.2 132.2 1.6 2.1 -4.2 150 166 A V - 0 0 6 -10,-0.2 -6,-0.1 1,-0.2 -1,-0.1 -0.932 13.8-178.2-100.5 103.7 3.1 0.1 -1.4 151 167 A E S S+ 0 0 158 -2,-0.8 -1,-0.2 1,-0.3 -2,-0.0 0.833 80.6 26.2 -71.1 -32.5 0.1 -0.7 0.7 152 168 A D > + 0 0 92 1,-0.1 4,-2.4 -3,-0.1 -1,-0.3 -0.762 68.7 179.7-132.5 83.8 2.1 -2.5 3.4 153 169 A P H > S+ 0 0 37 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.873 82.2 50.1 -55.2 -45.0 5.7 -1.1 3.5 154 170 A A H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.932 112.9 47.3 -61.2 -43.8 7.0 -3.4 6.3 155 171 A A H > S+ 0 0 44 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.903 112.5 48.5 -61.7 -47.1 5.6 -6.5 4.6 156 172 A L H X S+ 0 0 19 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.897 109.5 53.7 -60.1 -39.8 7.1 -5.6 1.2 157 173 A F H X S+ 0 0 16 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.903 112.1 44.7 -61.4 -42.7 10.4 -4.9 2.8 158 174 A K H < S+ 0 0 167 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.900 113.2 49.7 -68.5 -42.7 10.4 -8.3 4.4 159 175 A E H < S+ 0 0 141 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.898 114.1 43.8 -66.0 -38.1 9.3 -10.1 1.3 160 176 A L H < S+ 0 0 14 -4,-2.6 2,-1.9 -5,-0.2 9,-0.4 0.672 91.5 83.1 -85.1 -15.2 11.9 -8.5 -1.0 161 177 A D >< - 0 0 20 -4,-1.0 3,-1.5 -5,-0.2 -1,-0.2 -0.623 68.9-177.2 -84.6 79.1 14.7 -8.9 1.4 162 178 A K T 3 S+ 0 0 137 -2,-1.9 -1,-0.2 1,-0.3 6,-0.1 0.738 71.6 31.6 -60.7 -34.7 15.1 -12.5 0.1 163 179 A N T 3 S- 0 0 149 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.285 109.8-110.8-110.8 8.4 17.9 -13.8 2.3 164 180 A G S < S+ 0 0 61 -3,-1.5 -2,-0.1 -6,-0.2 -6,-0.0 0.920 70.0 138.4 69.7 49.4 17.1 -11.8 5.4 165 181 A T S S- 0 0 100 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.424 71.3-111.9-100.2 -6.1 20.1 -9.4 5.4 166 182 A G S S+ 0 0 35 1,-0.3 -33,-0.6 -5,-0.1 2,-0.3 0.642 88.6 83.2 80.5 11.8 18.1 -6.3 6.4 167 183 A S E -B 132 0B 26 -35,-0.2 2,-0.4 -34,-0.1 -2,-0.4 -0.971 67.9-136.9-131.8 160.9 18.5 -4.5 3.0 168 184 A V E -B 131 0B 0 -37,-3.1 -37,-2.3 -2,-0.3 -7,-0.1 -0.953 26.2-121.6-111.6 135.5 16.6 -4.8 -0.2 169 185 A T E > -B 130 0B 58 -2,-0.4 4,-2.6 -9,-0.4 5,-0.3 -0.403 16.0-123.6 -70.0 147.4 18.6 -4.8 -3.5 170 186 A F H > S+ 0 0 3 -41,-2.4 4,-3.1 1,-0.2 5,-0.3 0.892 114.7 57.9 -50.5 -41.0 17.9 -2.1 -6.1 171 187 A D H > S+ 0 0 34 -42,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.926 110.3 40.9 -60.2 -43.6 17.2 -5.0 -8.5 172 188 A E H > S+ 0 0 53 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.910 118.5 45.4 -72.3 -39.4 14.5 -6.5 -6.2 173 189 A F H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.959 116.8 44.8 -66.2 -50.6 12.9 -3.1 -5.4 174 190 A A H X S+ 0 0 0 -4,-3.1 4,-2.3 -5,-0.3 -1,-0.2 0.782 111.9 52.9 -65.2 -33.3 13.0 -1.9 -9.0 175 191 A A H X S+ 0 0 24 -4,-1.9 4,-1.6 -5,-0.3 -1,-0.2 0.847 108.3 50.6 -67.5 -43.2 11.7 -5.2 -10.4 176 192 A W H X S+ 0 0 61 -4,-2.0 4,-1.4 -5,-0.2 -2,-0.2 0.960 117.2 39.1 -54.7 -54.0 8.7 -5.1 -8.0 177 193 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.853 113.8 52.0 -72.3 -41.0 7.8 -1.5 -9.0 178 194 A S H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.853 107.3 54.5 -61.6 -35.4 8.5 -1.7 -12.7 179 195 A A H X S+ 0 0 27 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.889 112.2 44.2 -67.8 -38.8 6.3 -4.9 -12.9 180 196 A V H X S+ 0 0 54 -4,-1.4 4,-2.1 2,-0.2 -2,-0.2 0.939 116.2 45.4 -62.2 -53.2 3.5 -2.9 -11.3 181 197 A K H X S+ 0 0 35 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.930 113.6 50.3 -63.7 -44.6 4.0 0.2 -13.5 182 198 A L H X S+ 0 0 1 -4,-2.7 4,-3.0 2,-0.2 -1,-0.2 0.932 111.0 45.9 -52.9 -57.1 4.3 -1.8 -16.7 183 199 A D H < S+ 0 0 83 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.883 115.8 49.7 -60.6 -36.8 1.2 -3.8 -16.1 184 200 A A H < S+ 0 0 69 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.936 114.6 42.4 -56.5 -57.7 -0.6 -0.5 -15.2 185 201 A D H < S+ 0 0 83 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.869 87.9 175.6 -66.7 -42.1 0.7 1.3 -18.3 186 202 A G < + 0 0 9 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.1 -0.404 52.5 1.9 75.3-144.3 0.1 -1.5 -20.8 187 203 A D > - 0 0 33 1,-0.1 3,-1.3 -2,-0.1 -85,-0.1 -0.644 58.0-158.8 -80.7 115.2 0.7 -1.0 -24.5 188 204 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 -157,-0.1 0.756 90.3 63.9 -74.1 -10.5 2.0 2.5 -25.1 189 205 A D T 3 S+ 0 0 22 1,-0.2 2,-2.1 -163,-0.1 -158,-0.1 0.685 79.3 88.7 -75.9 -17.8 0.9 2.3 -28.8 190 206 A N S < S- 0 0 129 -3,-1.3 -1,-0.2 2,-0.1 -164,-0.1 -0.498 81.6-158.5 -79.8 74.3 -2.7 2.0 -27.6 191 207 A V 0 0 48 -2,-2.1 -164,-0.1 1,-0.4 -2,-0.0 -0.873 360.0 360.0-118.1 139.6 -3.2 5.8 -27.6 192 208 A P 0 0 140 0, 0.0 -1,-0.4 0, 0.0 -2,-0.1 -0.869 360.0 360.0 -35.1 360.0 -5.2 7.8 -26.1