==== 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 IMMUNE SYSTEM 07-MAR-06 2GA0 . COMPND 2 MOLECULE: SURFACE PROTEIN VSPA; . SOURCE 2 ORGANISM_SCIENTIFIC: BORRELIA TURICATAE; . AUTHOR C.L.LAWSON,B.H.YUNG,A.G.BARBOUR,W.R.ZUCKERT . 1312 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 54155.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1048 79.9 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 . 40 3.0 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 . 8 0.6 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 . 2 0.2 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 . 28 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 806 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 8 1 0 0 8 0 0 0 0 0 0 0 0 0 0 0 0 8 0 8 0 1 0 7 1 0 7 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 8 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 . 8 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 38 A V 0 0 202 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 65.3 -64.4 -9.3 10.4 2 39 A I - 0 0 128 1,-0.1 2,-1.3 162,-0.0 3,-0.1 -0.568 360.0-128.3 -88.2 141.6 -61.2 -11.4 10.2 3 40 A D >> - 0 0 90 -2,-0.2 4,-2.0 1,-0.2 3,-1.3 -0.610 18.2-170.2 -96.3 79.9 -57.8 -10.0 11.3 4 41 A L H 3> S+ 0 0 87 -2,-1.3 4,-2.5 1,-0.3 -1,-0.2 0.762 85.1 53.7 -26.2 -47.8 -55.4 -10.5 8.4 5 42 A A H 3> S+ 0 0 60 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.882 107.3 46.1 -70.9 -40.8 -52.5 -9.5 10.7 6 43 A T H <> S+ 0 0 75 -3,-1.3 4,-2.1 2,-0.2 -1,-0.2 0.895 115.6 48.8 -65.3 -39.9 -53.1 -11.9 13.6 7 44 A I H X S+ 0 0 23 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.898 111.9 49.9 -63.2 -43.2 -53.6 -14.7 11.0 8 45 A T H X S+ 0 0 42 -4,-2.5 4,-2.6 -5,-0.3 -2,-0.2 0.908 110.1 48.9 -60.1 -50.7 -50.3 -13.7 9.3 9 46 A K H X S+ 0 0 123 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.923 109.2 53.4 -58.7 -42.6 -48.3 -13.6 12.5 10 47 A N H X S+ 0 0 86 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.875 109.0 48.3 -63.6 -36.0 -49.6 -17.0 13.4 11 48 A I H X S+ 0 0 0 -4,-1.7 4,-2.6 149,-0.2 5,-0.2 0.945 113.5 48.2 -63.4 -50.7 -48.5 -18.5 10.1 12 49 A T H X S+ 0 0 63 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.932 113.9 45.3 -57.6 -49.8 -45.1 -16.9 10.5 13 50 A D H X S+ 0 0 73 -4,-3.1 4,-2.6 1,-0.2 -1,-0.2 0.907 114.2 48.0 -62.3 -43.5 -44.6 -18.1 14.0 14 51 A A H X S+ 0 0 16 -4,-2.2 4,-2.0 -5,-0.2 143,-0.3 0.868 113.2 48.8 -66.4 -36.4 -45.8 -21.7 13.2 15 52 A V H X S+ 0 0 28 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.915 110.8 49.4 -71.5 -42.1 -43.6 -21.8 10.2 16 53 A A H X S+ 0 0 44 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.933 112.1 49.0 -63.7 -41.5 -40.5 -20.6 12.1 17 54 A F H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.909 111.0 49.7 -59.5 -42.3 -41.1 -23.1 14.8 18 55 A A H X S+ 0 0 13 -4,-2.0 4,-3.9 2,-0.2 5,-0.3 0.896 104.9 59.2 -66.4 -38.5 -41.5 -25.9 12.2 19 56 A K H X S+ 0 0 75 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.963 108.7 43.8 -50.2 -55.4 -38.2 -24.8 10.6 20 57 A S H X S+ 0 0 41 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.925 116.6 46.8 -57.4 -45.4 -36.4 -25.4 13.9 21 58 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.964 111.4 50.5 -62.6 -51.6 -38.2 -28.7 14.5 22 59 A K H X S+ 0 0 30 -4,-3.9 4,-2.2 2,-0.2 -1,-0.2 0.857 106.8 55.3 -51.9 -40.5 -37.6 -29.9 10.9 23 60 A D H X S+ 0 0 12 -4,-2.4 4,-2.2 -5,-0.3 -1,-0.2 0.936 109.4 47.4 -64.1 -40.8 -33.9 -29.1 11.2 24 61 A V H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.934 110.3 51.7 -63.1 -44.0 -33.7 -31.3 14.3 25 62 A H H X S+ 0 0 16 -4,-2.7 4,-3.0 1,-0.2 -2,-0.2 0.919 109.8 49.8 -63.0 -34.8 -35.6 -34.2 12.5 26 63 A T H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.940 108.8 51.3 -71.0 -43.2 -33.2 -34.0 9.6 27 64 A L H X S+ 0 0 4 -4,-2.2 4,-0.6 2,-0.2 -1,-0.2 0.916 113.2 46.0 -58.0 -41.8 -30.1 -34.1 11.9 28 65 A V H >< S+ 0 0 0 -4,-2.3 3,-1.7 1,-0.2 4,-0.4 0.962 111.7 50.0 -66.4 -51.1 -31.6 -37.2 13.6 29 66 A K H >X S+ 0 0 103 -4,-3.0 3,-2.1 1,-0.3 4,-0.6 0.832 98.8 70.4 -52.2 -31.8 -32.5 -39.0 10.3 30 67 A S H >X S+ 0 0 2 -4,-2.0 4,-2.0 1,-0.3 3,-1.0 0.777 80.9 71.9 -64.3 -23.4 -29.0 -38.3 9.1 31 68 A I H S+ 0 0 38 -3,-2.1 4,-1.1 -4,-0.4 -1,-0.3 0.810 102.8 50.4 -67.8 -30.0 -29.3 -43.4 9.2 33 70 A E H < S+ 0 0 0 -4,-2.0 3,-1.6 1,-0.2 4,-0.3 0.880 105.6 56.4 -64.5 -39.0 -24.0 -42.5 8.7 35 72 A A H >< S+ 0 0 10 -4,-2.4 3,-1.5 89,-0.3 -1,-0.2 0.842 96.6 63.5 -61.7 -32.7 -24.9 -46.0 9.7 36 73 A K H 3< S+ 0 0 107 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.764 100.4 56.7 -61.7 -19.5 -24.9 -47.0 5.9 37 74 A A T X< S+ 0 0 0 -3,-1.6 3,-2.0 -4,-0.5 -1,-0.3 0.541 73.9 124.2 -90.0 -8.6 -21.2 -46.1 6.1 38 75 A I T < S+ 0 0 4 -3,-1.5 3,-0.1 -4,-0.3 12,-0.1 -0.316 89.3 2.0 -55.3 126.8 -20.3 -48.6 8.9 39 76 A G T 3 S+ 0 0 1 13,-0.3 11,-2.5 1,-0.2 2,-0.4 0.817 109.7 119.4 61.1 32.8 -17.5 -50.8 7.7 40 77 A K E < -A 49 0A 33 -3,-2.0 2,-0.3 9,-0.3 9,-0.2 -0.983 45.5-160.0-127.7 141.2 -17.3 -49.0 4.3 41 78 A K E -A 48 0A 55 7,-2.9 7,-2.2 -2,-0.4 2,-0.5 -0.815 33.2-104.0-107.2 156.4 -14.6 -47.1 2.6 42 79 A I E -A 47 0A 0 -2,-0.3 2,-0.2 233,-0.3 5,-0.2 -0.737 50.5-177.9 -77.4 125.4 -14.9 -44.5 -0.1 43 80 A G E > -A 46 0A 0 3,-2.0 3,-2.0 -2,-0.5 228,-0.1 -0.693 46.0 -83.6-121.0 173.0 -13.8 -46.4 -3.3 44 81 A A T 3 S+ 0 0 61 1,-0.3 3,-0.1 -2,-0.2 225,-0.1 0.704 129.8 30.8 -52.8 -21.5 -13.4 -45.4 -6.9 45 82 A N T 3 S- 0 0 149 1,-0.5 2,-0.3 224,-0.1 -1,-0.3 0.201 127.2 -72.5-123.5 12.4 -17.2 -46.0 -7.4 46 83 A G E < S-A 43 0A 7 -3,-2.0 -3,-2.0 223,-0.1 -1,-0.5 -0.821 87.9 -10.7 124.1-170.2 -18.7 -45.2 -4.1 47 84 A L E +A 42 0A 48 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.359 64.9 175.3 -65.3 139.9 -18.8 -46.8 -0.8 48 85 A E E -A 41 0A 63 -7,-2.2 -7,-2.9 -11,-0.1 2,-0.1 -0.948 38.4 -74.6-139.8 165.3 -17.5 -50.4 -0.7 49 86 A T E +A 40 0A 10 -2,-0.3 -9,-0.3 586,-0.3 -10,-0.1 -0.366 52.4 149.2 -66.3 132.3 -16.9 -52.9 2.0 50 87 A D - 0 0 38 -11,-2.5 -11,-0.1 -2,-0.1 572,-0.1 -0.551 43.3-132.9-159.1 85.2 -13.9 -52.4 4.3 51 88 A A - 0 0 4 570,-0.3 -12,-0.1 -2,-0.1 -11,-0.1 0.102 50.4 -14.8 -45.9 144.4 -14.9 -53.8 7.7 52 89 A D + 0 0 7 1,-0.1 -13,-0.3 2,-0.0 64,-0.2 -0.103 67.9 111.9 77.8-161.6 -14.4 -52.3 11.1 53 90 A K + 0 0 44 1,-0.1 168,-0.5 -14,-0.1 3,-0.2 0.912 45.4 145.6 51.3 51.0 -12.3 -49.4 12.3 54 91 A N >> + 0 0 0 61,-1.7 4,-2.1 1,-0.2 3,-0.5 0.424 24.5 106.0-100.3 -3.1 -15.6 -47.4 13.0 55 92 A A H 3> S+ 0 0 10 57,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.880 82.3 47.3 -45.5 -50.7 -14.8 -45.3 16.1 56 93 A K H 3> S+ 0 0 6 162,-0.5 4,-2.0 1,-0.3 -1,-0.2 0.832 108.7 55.1 -70.7 -32.0 -14.5 -42.0 14.3 57 94 A L H <> S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.3 0.927 109.1 47.7 -61.7 -42.8 -17.7 -42.6 12.4 58 95 A I H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.880 107.9 56.2 -67.4 -33.4 -19.5 -43.1 15.8 59 96 A S H X S+ 0 0 0 -4,-2.2 4,-3.0 -5,-0.3 -1,-0.2 0.925 105.3 53.1 -60.7 -41.1 -17.8 -40.0 17.0 60 97 A G H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.952 109.2 46.3 -55.2 -52.8 -19.4 -38.3 14.0 61 98 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.948 112.0 52.8 -59.6 -43.5 -22.8 -39.5 15.0 62 99 A Y H X S+ 0 0 10 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.933 108.5 49.9 -55.5 -48.8 -22.1 -38.5 18.5 63 100 A S H X S+ 0 0 5 -4,-3.0 4,-1.5 1,-0.2 -1,-0.2 0.893 109.9 51.3 -55.8 -45.0 -21.2 -35.0 17.3 64 101 A V H X S+ 0 0 1 -4,-2.7 4,-2.1 1,-0.2 3,-0.3 0.931 109.8 47.8 -62.5 -45.8 -24.4 -34.7 15.3 65 102 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.815 106.2 59.4 -69.1 -25.6 -26.6 -35.7 18.2 66 103 A S H X S+ 0 0 35 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.910 106.3 48.3 -60.5 -42.7 -24.7 -33.2 20.4 67 104 A A H X S+ 0 0 11 -4,-1.5 4,-2.7 -3,-0.3 -2,-0.2 0.928 111.6 48.9 -65.5 -48.7 -25.9 -30.5 17.9 68 105 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.942 110.8 50.9 -48.1 -54.4 -29.4 -31.9 18.1 69 106 A D H X S+ 0 0 25 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.896 111.8 47.2 -56.4 -41.2 -29.3 -31.8 21.9 70 107 A T H X S+ 0 0 97 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.928 110.3 51.8 -67.2 -43.8 -28.0 -28.2 21.8 71 108 A K H X S+ 0 0 57 -4,-2.7 4,-2.5 1,-0.2 3,-0.2 0.907 111.5 47.3 -60.4 -44.7 -30.7 -27.1 19.4 72 109 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.859 104.8 59.7 -66.4 -34.4 -33.5 -28.6 21.5 73 110 A A H < S+ 0 0 29 -4,-1.9 4,-0.4 -5,-0.3 -1,-0.2 0.887 110.3 43.5 -60.9 -34.1 -32.0 -27.0 24.7 74 111 A S H >< S+ 0 0 80 -4,-1.6 3,-1.3 -3,-0.2 4,-0.2 0.927 111.7 52.6 -77.5 -44.9 -32.6 -23.7 22.9 75 112 A L H >< S+ 0 0 8 -4,-2.5 3,-2.5 1,-0.3 -2,-0.2 0.892 99.7 63.0 -52.5 -48.2 -36.1 -24.7 21.6 76 113 A E T 3< S+ 0 0 64 -4,-3.0 -1,-0.3 1,-0.3 -2,-0.2 0.795 103.9 51.8 -45.0 -30.1 -37.1 -25.6 25.2 77 114 A K T < S+ 0 0 167 -3,-1.3 -1,-0.3 -4,-0.4 -2,-0.2 0.508 78.6 123.9 -92.6 -5.3 -36.6 -22.0 26.0 78 115 A K X - 0 0 84 -3,-2.5 3,-0.6 -4,-0.2 2,-0.2 -0.288 59.2-126.1 -63.5 139.6 -38.7 -20.4 23.2 79 116 A V T 3 S+ 0 0 142 1,-0.2 3,-0.1 0, 0.0 -1,-0.1 -0.591 85.3 25.7 -85.5 151.8 -41.4 -18.0 24.4 80 117 A G T 3 S+ 0 0 84 1,-0.3 -1,-0.2 -2,-0.2 2,-0.1 0.375 80.9 141.0 82.2 -3.5 -45.1 -18.4 23.5 81 118 A I < - 0 0 25 -3,-0.6 -1,-0.3 1,-0.1 2,-0.1 -0.411 58.1-110.0 -61.5 142.4 -44.9 -22.2 22.9 82 119 A S > - 0 0 65 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.481 23.7-115.8 -73.9 152.7 -47.9 -24.1 24.1 83 120 A D H > S+ 0 0 135 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.900 116.3 58.1 -54.7 -43.5 -47.3 -26.3 27.1 84 121 A D H > S+ 0 0 97 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 109.2 42.3 -50.2 -52.2 -48.2 -29.3 24.9 85 122 A L H > S+ 0 0 26 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.873 111.2 56.1 -65.8 -39.0 -45.4 -28.5 22.4 86 123 A K H X S+ 0 0 82 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.927 108.8 47.7 -57.4 -46.5 -43.0 -27.7 25.2 87 124 A G H X S+ 0 0 36 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.884 109.1 53.4 -59.0 -43.0 -43.7 -31.2 26.6 88 125 A K H X S+ 0 0 65 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.884 109.5 49.1 -61.4 -36.4 -43.2 -32.7 23.2 89 126 A I H X S+ 0 0 0 -4,-2.4 4,-3.1 2,-0.2 -2,-0.2 0.915 107.2 54.7 -67.1 -43.2 -39.8 -30.9 23.0 90 127 A T H X S+ 0 0 46 -4,-2.4 4,-2.8 1,-0.3 5,-0.2 0.886 103.4 55.3 -60.0 -40.7 -38.8 -32.2 26.4 91 128 A T H X S+ 0 0 87 -4,-2.1 4,-1.9 2,-0.2 -1,-0.3 0.900 111.3 45.4 -57.4 -41.0 -39.5 -35.7 25.3 92 129 A V H X S+ 0 0 0 -4,-1.3 4,-2.5 53,-0.2 -2,-0.2 0.974 113.4 47.9 -66.8 -52.2 -37.1 -35.2 22.4 93 130 A K H X S+ 0 0 31 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.858 110.1 53.3 -58.5 -36.1 -34.4 -33.5 24.5 94 131 A N H X S+ 0 0 101 -4,-2.8 4,-3.1 -5,-0.2 -1,-0.2 0.941 109.5 49.6 -58.9 -47.6 -34.6 -36.2 27.1 95 132 A A H X S+ 0 0 8 -4,-1.9 4,-1.9 -5,-0.2 47,-0.3 0.884 111.6 46.9 -63.2 -41.5 -34.1 -38.8 24.3 96 133 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.902 111.8 50.1 -71.4 -36.8 -31.0 -37.0 22.9 97 134 A T H X S+ 0 0 60 -4,-2.5 4,-3.0 -5,-0.2 5,-0.2 0.949 110.1 53.2 -59.1 -48.5 -29.5 -36.6 26.4 98 135 A S H X S+ 0 0 56 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.881 107.5 50.6 -47.7 -47.5 -30.1 -40.3 26.9 99 136 A F H X S+ 0 0 4 -4,-1.9 4,-2.7 39,-0.2 5,-0.2 0.969 112.1 44.9 -61.2 -53.0 -28.3 -41.2 23.7 100 137 A L H X S+ 0 0 13 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.913 113.8 51.3 -59.8 -44.3 -25.2 -39.1 24.5 101 138 A T H X S+ 0 0 78 -4,-3.0 4,-2.1 -5,-0.2 -1,-0.2 0.906 111.9 46.1 -55.3 -45.1 -25.1 -40.5 28.1 102 139 A K H X S+ 0 0 60 -4,-2.3 4,-1.2 -5,-0.2 -2,-0.2 0.943 113.6 48.6 -66.9 -47.2 -25.4 -44.1 26.9 103 140 A A H >< S+ 0 0 1 -4,-2.7 3,-0.9 1,-0.2 7,-0.2 0.930 111.8 48.8 -57.1 -52.6 -22.6 -43.6 24.2 104 141 A K H >< S+ 0 0 61 -4,-2.9 3,-1.6 1,-0.3 -1,-0.2 0.907 108.7 54.9 -51.2 -44.0 -20.3 -41.9 26.7 105 142 A S H 3< S+ 0 0 74 -4,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.764 106.3 51.6 -66.3 -25.1 -21.0 -44.8 29.1 106 143 A K T XX S+ 0 0 56 -4,-1.2 4,-2.4 -3,-0.9 3,-1.4 -0.012 71.1 127.6-100.2 31.4 -19.9 -47.2 26.4 107 144 A T H <> + 0 0 37 -3,-1.6 4,-2.9 1,-0.3 5,-0.3 0.902 67.6 57.4 -52.7 -45.8 -16.6 -45.5 25.7 108 145 A A H 34 S+ 0 0 80 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.733 116.8 36.9 -60.9 -21.3 -14.5 -48.6 26.2 109 146 A D H <4 S+ 0 0 53 -3,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.765 124.8 37.0 -95.7 -34.2 -16.6 -50.2 23.4 110 147 A L H < S+ 0 0 0 -4,-2.4 97,-0.2 -7,-0.2 -2,-0.2 0.653 117.6 45.1-101.0 -19.1 -17.1 -47.3 21.1 111 148 A G S < S+ 0 0 4 -4,-2.9 -1,-0.2 -5,-0.3 -3,-0.1 0.369 82.1 119.9-107.2 -1.2 -13.8 -45.4 21.3 112 149 A K S > S- 0 0 95 -5,-0.3 3,-0.5 1,-0.1 -57,-0.3 -0.187 80.2-102.7 -64.1 160.6 -11.4 -48.3 21.0 113 150 A D T 3 S+ 0 0 96 1,-0.3 2,-0.2 -58,-0.1 -1,-0.1 0.634 113.6 32.3 -65.0 -12.9 -8.9 -48.4 18.1 114 151 A D T 3 - 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