==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 12-OCT-11 3U64 . COMPND 2 MOLECULE: PROTEIN TP_0956; . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA PALLIDUM SUBSP. PALLIDUM; . AUTHOR D.R.TOMCHICK,C.A.BRAUTIGAM,R.K.DEKA,M.V.NORGARD . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 78.6 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 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 161 59.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.3 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 2 2 0 0 1 1 0 0 0 1 1 1 2 1 1 0 0 1 0 0 0 0 0 0 0 1 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 31 A D 0 0 185 0, 0.0 4,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -60.1 21.8 -9.5 1.1 2 32 A F + 0 0 108 2,-0.1 4,-0.4 1,-0.1 3,-0.4 0.643 360.0 65.4 -93.1 -24.2 21.2 -11.2 4.5 3 33 A T S >> S+ 0 0 77 1,-0.2 4,-3.2 2,-0.2 3,-1.2 0.809 87.9 69.6 -72.6 -28.6 23.4 -14.2 3.6 4 34 A R H 3> S+ 0 0 189 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.873 92.3 58.1 -54.8 -40.7 26.5 -12.0 3.6 5 35 A V H 34 S+ 0 0 87 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.730 115.6 36.7 -66.7 -19.4 26.3 -11.5 7.4 6 36 A F H X4 S+ 0 0 33 -3,-1.2 3,-1.2 -4,-0.4 -2,-0.2 0.865 116.9 48.4 -93.1 -46.8 26.5 -15.3 7.7 7 37 A T H 3< S+ 0 0 34 -4,-3.2 243,-2.7 1,-0.3 244,-0.4 0.704 115.2 44.2 -72.7 -20.8 29.0 -16.2 4.9 8 38 A E T 3< S+ 0 0 53 -4,-2.0 -1,-0.3 -5,-0.3 -3,-0.1 0.316 88.8 120.3-101.9 6.6 31.5 -13.5 5.8 9 39 A E < - 0 0 47 -3,-1.2 -3,-0.1 -5,-0.1 3,-0.1 -0.342 42.4-171.8 -67.9 146.0 31.3 -14.2 9.6 10 40 A D + 0 0 84 1,-0.1 2,-0.8 243,-0.1 -1,-0.1 0.418 66.9 85.2-112.1 -4.7 34.5 -15.3 11.4 11 41 A D > - 0 0 67 1,-0.2 4,-1.4 2,-0.0 3,-0.3 -0.820 56.5-171.4-101.4 101.0 32.6 -16.2 14.7 12 42 A L H > S+ 0 0 31 -2,-0.8 4,-3.1 1,-0.2 5,-0.2 0.890 81.6 57.3 -57.9 -44.0 31.3 -19.7 14.5 13 43 A D H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.881 103.6 52.2 -60.6 -41.0 29.3 -19.6 17.7 14 44 A L H > S+ 0 0 102 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.903 114.3 44.1 -60.4 -41.6 27.2 -16.6 16.6 15 45 A V H >X S+ 0 0 2 -4,-1.4 4,-2.7 2,-0.2 3,-0.7 0.972 112.5 50.9 -66.4 -52.5 26.4 -18.4 13.4 16 46 A A H 3< S+ 0 0 25 -4,-3.1 -2,-0.2 1,-0.3 -1,-0.2 0.846 113.8 45.4 -53.6 -39.9 25.6 -21.7 15.1 17 47 A Q H 3< S+ 0 0 159 -4,-2.3 4,-0.3 -5,-0.2 -1,-0.3 0.746 118.4 40.6 -81.1 -22.9 23.3 -20.0 17.6 18 48 A S H S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.903 102.9 42.3 -52.0 -51.7 18.3 -22.6 13.7 21 51 A L H > S+ 0 0 128 -3,-0.3 4,-2.9 -4,-0.3 5,-0.2 0.898 113.2 55.8 -64.3 -36.4 15.4 -20.1 13.7 22 52 A V H X S+ 0 0 24 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.930 106.8 48.8 -55.2 -49.0 16.6 -19.1 10.2 23 53 A L H X S+ 0 0 6 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.943 112.3 50.3 -54.9 -44.9 16.2 -22.7 9.1 24 54 A K H X S+ 0 0 104 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.908 110.1 48.5 -65.3 -41.1 12.8 -22.7 10.7 25 55 A V H X S+ 0 0 76 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.934 113.7 45.7 -64.7 -45.9 11.6 -19.5 9.0 26 56 A Y H X S+ 0 0 61 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.918 111.5 53.9 -62.1 -40.8 12.8 -20.6 5.5 27 57 A E H X S+ 0 0 15 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.926 110.1 46.2 -59.8 -45.0 11.2 -24.0 6.2 28 58 A A H X S+ 0 0 58 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.904 111.4 51.5 -65.5 -41.4 7.9 -22.3 7.0 29 59 A L H X S+ 0 0 66 -4,-2.6 4,-1.1 1,-0.2 -1,-0.2 0.919 109.3 52.0 -59.5 -41.9 8.1 -20.0 3.9 30 60 A H H < S+ 0 0 12 -4,-2.8 3,-0.3 1,-0.2 6,-0.2 0.885 109.7 46.9 -62.2 -40.7 8.7 -23.1 1.8 31 61 A L H < S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.782 111.4 52.2 -76.3 -24.4 5.7 -24.9 3.1 32 62 A Q H < S+ 0 0 139 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.674 124.0 28.2 -80.3 -20.7 3.5 -21.8 2.6 33 63 A N >< + 0 0 71 -4,-1.1 3,-2.6 -3,-0.3 -1,-0.2 -0.413 69.6 167.7-138.2 63.6 4.7 -21.5 -1.0 34 64 A P T 3 S+ 0 0 82 0, 0.0 60,-0.1 0, 0.0 -1,-0.1 0.575 74.2 58.5 -63.1 -11.9 5.6 -25.1 -2.2 35 65 A A T 3 S+ 0 0 73 59,-0.0 2,-1.0 4,-0.0 3,-0.1 0.405 76.1 104.8 -98.0 0.1 5.8 -24.1 -5.9 36 66 A H <> - 0 0 104 -3,-2.6 4,-2.0 -6,-0.2 5,-0.1 -0.733 53.6-168.7 -82.3 108.0 8.5 -21.5 -5.3 37 67 A R H > S+ 0 0 64 -2,-1.0 4,-2.6 1,-0.2 5,-0.2 0.889 83.0 56.1 -66.9 -40.7 11.6 -23.3 -6.6 38 68 A G H > S+ 0 0 42 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.879 109.0 47.0 -56.9 -41.2 14.1 -20.8 -5.1 39 69 A L H > S+ 0 0 27 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.892 109.9 53.0 -70.9 -42.8 12.6 -21.4 -1.6 40 70 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.951 115.0 41.8 -51.4 -54.1 12.7 -25.1 -2.0 41 71 A L H X S+ 0 0 26 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.930 112.8 53.4 -61.8 -47.0 16.4 -25.0 -2.9 42 72 A A H X S+ 0 0 17 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.941 112.0 42.9 -57.9 -51.5 17.3 -22.4 -0.3 43 73 A V H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.905 114.1 52.3 -66.2 -38.0 15.9 -24.3 2.6 44 74 A G H X S+ 0 0 0 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.943 110.9 46.3 -58.0 -50.7 17.4 -27.6 1.3 45 75 A R H X S+ 0 0 80 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.898 110.5 55.0 -59.2 -42.4 20.9 -26.1 1.0 46 76 A L H X S+ 0 0 33 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.904 107.4 47.6 -60.1 -47.9 20.6 -24.6 4.4 47 77 A Y H X S+ 0 0 8 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.913 113.2 49.5 -59.5 -42.8 19.8 -27.8 6.2 48 78 A I H X S+ 0 0 5 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.910 113.8 44.2 -66.3 -41.9 22.6 -29.6 4.4 49 79 A M H X S+ 0 0 67 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.915 115.9 47.6 -69.3 -44.5 25.2 -26.9 5.3 50 80 A Y H X>S+ 0 0 26 -4,-2.8 4,-2.7 -5,-0.2 5,-0.6 0.947 109.1 54.4 -57.8 -48.5 24.0 -26.7 8.8 51 81 A A H X>S+ 0 0 0 -4,-3.0 5,-2.9 -5,-0.2 4,-0.9 0.910 116.3 38.7 -55.4 -41.5 24.1 -30.5 9.1 52 82 A N H <>S+ 0 0 76 -4,-1.9 5,-2.4 3,-0.2 -2,-0.2 0.984 123.0 35.9 -71.7 -59.4 27.7 -30.5 8.0 53 83 A A H <5S+ 0 0 13 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.841 130.9 25.8 -67.7 -35.4 29.1 -27.5 9.7 54 84 A F H <5S+ 0 0 30 -4,-2.7 -1,-0.2 -5,-0.4 -3,-0.2 0.463 131.1 26.0-118.4 -0.0 27.2 -27.6 13.0 55 85 A V T X>4 S+ 0 0 58 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.859 109.4 56.8 -56.6 -37.0 31.6 -30.9 16.0 59 89 A A H >< S+ 0 0 4 -4,-1.4 3,-1.6 1,-0.2 -2,-0.2 0.875 101.5 57.7 -57.8 -37.8 30.7 -34.6 16.5 60 90 A Q H << S+ 0 0 27 -4,-1.6 -1,-0.2 -3,-0.6 -3,-0.1 0.759 100.6 56.1 -67.4 -24.3 34.0 -35.5 14.7 61 91 A Y T << S+ 0 0 66 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.358 85.4 111.4 -92.1 6.6 36.0 -33.5 17.2 62 92 A L S < S- 0 0 57 -3,-1.6 2,-0.1 -4,-0.1 -3,-0.0 -0.424 74.5-100.3 -74.8 156.1 34.6 -35.5 20.1 63 93 A P > - 0 0 72 0, 0.0 3,-1.6 0, 0.0 7,-0.1 -0.442 30.7-106.9 -75.2 148.4 36.9 -37.9 22.1 64 94 A E G > S+ 0 0 165 1,-0.3 3,-0.9 -2,-0.1 6,-0.1 0.775 115.7 57.1 -35.7 -46.2 37.0 -41.7 21.6 65 95 A D G 3 S+ 0 0 117 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.781 98.6 59.9 -70.9 -25.8 35.2 -42.4 24.9 66 96 A E G <> + 0 0 103 -3,-1.6 4,-1.5 1,-0.2 -1,-0.3 -0.131 63.3 129.8 -94.6 39.5 32.1 -40.3 23.9 67 97 A F H <> + 0 0 108 -3,-0.9 4,-3.3 1,-0.2 5,-0.2 0.796 65.2 63.4 -60.3 -31.5 31.4 -42.4 20.8 68 98 A E H > S+ 0 0 141 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.966 105.9 42.2 -59.7 -55.2 27.8 -42.8 21.9 69 99 A A H > S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.831 114.6 55.2 -58.5 -32.3 27.1 -39.0 21.7 70 100 A Q H X S+ 0 0 48 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.955 107.7 46.4 -65.3 -50.2 29.1 -39.2 18.4 71 101 A N H X S+ 0 0 82 -4,-3.3 4,-2.0 1,-0.2 -2,-0.2 0.873 113.0 50.3 -60.5 -38.7 26.9 -41.9 16.9 72 102 A E H X S+ 0 0 148 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.869 111.2 48.2 -68.3 -38.2 23.8 -40.0 18.0 73 103 A A H X S+ 0 0 22 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.896 110.4 52.1 -69.1 -39.5 25.1 -36.8 16.4 74 104 A Y H X S+ 0 0 45 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.892 110.0 48.5 -59.8 -39.7 26.0 -38.7 13.2 75 105 A S H X S+ 0 0 54 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.875 111.3 51.3 -68.7 -36.8 22.4 -40.1 13.1 76 106 A R H X S+ 0 0 132 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 111.0 46.7 -62.7 -46.8 21.1 -36.6 13.6 77 107 A A H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.922 109.2 56.0 -61.2 -44.2 23.3 -35.2 10.8 78 108 A R H X S+ 0 0 76 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.926 108.4 46.6 -54.0 -47.5 22.2 -38.1 8.5 79 109 A K H X S+ 0 0 121 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.868 112.7 50.2 -65.1 -37.7 18.5 -37.2 9.1 80 110 A L H X S+ 0 0 16 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.890 107.8 52.7 -67.9 -41.2 19.2 -33.5 8.4 81 111 A Y H X S+ 0 0 6 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.945 112.3 46.6 -55.0 -45.1 21.0 -34.3 5.2 82 112 A L H X S+ 0 0 23 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.866 111.4 49.2 -71.4 -36.6 18.1 -36.3 4.0 83 113 A R H X S+ 0 0 99 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.926 114.2 48.1 -65.2 -43.5 15.5 -33.6 5.0 84 114 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.927 111.6 48.5 -60.4 -47.1 17.7 -31.1 3.2 85 115 A A H X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.893 112.2 49.3 -62.4 -38.4 18.0 -33.3 0.1 86 116 A R H X S+ 0 0 147 -4,-2.2 4,-0.8 2,-0.2 -1,-0.2 0.826 108.6 52.4 -72.3 -35.6 14.3 -33.9 0.0 87 117 A Y H >< S+ 0 0 37 -4,-2.1 3,-0.6 2,-0.2 4,-0.5 0.926 113.0 44.4 -61.8 -45.6 13.5 -30.2 0.3 88 118 A A H >X S+ 0 0 0 -4,-2.2 3,-1.7 1,-0.2 4,-0.9 0.892 105.9 61.7 -68.2 -37.3 15.8 -29.4 -2.6 89 119 A L H 3X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.3 -1,-0.2 0.783 91.3 67.5 -59.2 -25.8 14.4 -32.3 -4.6 90 120 A S H S+ 0 0 2 -3,-1.7 4,-1.8 -4,-0.5 -1,-0.2 0.936 108.3 42.4 -62.6 -45.7 12.4 -27.8 -6.7 92 122 A L H X S+ 0 0 0 -4,-0.9 4,-2.2 1,-0.2 -2,-0.2 0.909 113.1 53.1 -64.8 -40.7 12.9 -30.6 -9.3 93 123 A E H < S+ 0 0 62 -4,-2.5 6,-0.2 1,-0.2 -2,-0.2 0.858 108.7 49.6 -63.7 -35.9 9.5 -32.1 -8.6 94 124 A T H < S+ 0 0 58 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.904 114.7 44.5 -66.2 -42.9 7.8 -28.7 -9.1 95 125 A A H < S+ 0 0 32 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.781 130.0 22.2 -72.8 -29.4 9.6 -28.2 -12.4 96 126 A Y S >< S- 0 0 31 -4,-2.2 3,-1.9 -5,-0.1 -1,-0.3 -0.674 83.7-142.4-145.1 81.2 9.0 -31.7 -13.7 97 127 A P T 3 S+ 0 0 100 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.157 89.5 26.8 -48.2 131.0 6.0 -33.5 -12.0 98 128 A G T 3> S+ 0 0 30 -5,-0.1 4,-2.1 4,-0.0 3,-0.2 0.369 82.9 126.1 95.3 -1.8 6.7 -37.2 -11.4 99 129 A F H <> + 0 0 0 -3,-1.9 4,-3.1 1,-0.2 5,-0.2 0.854 69.7 52.1 -55.3 -42.9 10.4 -36.5 -11.2 100 130 A T H > S+ 0 0 49 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.871 109.1 48.3 -66.2 -40.2 10.8 -38.2 -7.9 101 131 A R H 4 S+ 0 0 199 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.900 117.7 42.7 -66.5 -41.5 9.0 -41.4 -8.9 102 132 A E H >< S+ 0 0 44 -4,-2.1 3,-2.1 1,-0.2 5,-0.3 0.965 112.1 50.7 -68.4 -52.5 11.1 -41.6 -12.1 103 133 A V H 3< S+ 0 0 2 -4,-3.1 3,-0.3 1,-0.3 -1,-0.2 0.802 119.2 37.6 -64.7 -28.6 14.5 -40.7 -10.6 104 134 A F T 3< S+ 0 0 51 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.198 84.6 108.2-104.5 17.1 14.1 -43.3 -7.8 105 135 A S S < S- 0 0 38 -3,-2.1 -1,-0.2 2,-0.2 -2,-0.1 0.712 79.5-132.1 -64.8 -22.7 12.5 -46.0 -10.0 106 136 A G S S+ 0 0 42 -3,-0.3 2,-0.7 -4,-0.3 -1,-0.1 0.423 73.1 121.1 76.3 -1.8 15.5 -48.2 -10.0 107 137 A D > - 0 0 65 -5,-0.3 4,-2.7 1,-0.2 3,-0.3 -0.864 56.2-154.9 -95.8 113.9 14.9 -48.4 -13.8 108 138 A E H > S+ 0 0 98 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.825 92.1 51.8 -62.2 -34.7 18.0 -47.0 -15.5 109 139 A Q H > S+ 0 0 141 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.855 111.9 45.5 -71.5 -36.9 16.2 -46.0 -18.7 110 140 A R H > S+ 0 0 82 -3,-0.3 4,-2.3 2,-0.2 5,-0.2 0.893 113.6 51.1 -70.2 -39.6 13.6 -44.0 -16.7 111 141 A L H X S+ 0 0 7 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.957 114.3 43.0 -60.3 -50.4 16.4 -42.5 -14.6 112 142 A H H X S+ 0 0 136 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.847 112.5 53.4 -65.0 -36.9 18.3 -41.4 -17.7 113 143 A K H < S+ 0 0 121 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.916 111.4 44.8 -68.5 -40.5 15.2 -40.2 -19.5 114 144 A V H >< S+ 0 0 3 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.865 111.4 52.6 -73.5 -32.6 14.2 -37.9 -16.6 115 145 A L H >< S+ 0 0 12 -4,-2.0 3,-0.8 1,-0.2 -1,-0.2 0.758 100.2 63.9 -71.7 -21.3 17.7 -36.6 -16.1 116 146 A S T 3< S+ 0 0 66 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.656 93.3 62.8 -77.8 -11.8 17.8 -35.7 -19.9 117 147 A R T < S+ 0 0 125 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.2 0.712 84.6 101.2 -80.5 -20.5 14.9 -33.2 -19.2 118 148 A C < - 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0 0 44 0, 0.0 3,-1.8 0, 0.0 5,-1.8 -0.348 30.2-118.7 -53.9 143.0 32.8 -49.4 -2.3 185 215 A E T 3 5S+ 0 0 163 1,-0.3 3,-0.5 3,-0.2 -2,-0.0 0.581 115.5 65.3 -67.4 -10.5 33.2 -50.4 -6.0 186 216 A S T 3 5S+ 0 0 107 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.773 103.7 46.5 -76.3 -28.3 29.9 -52.3 -5.6 187 217 A F T < 5S- 0 0 42 -3,-1.8 -2,-0.2 -7,-0.1 -1,-0.2 0.197 134.1 -89.1 -97.8 12.7 28.3 -48.9 -5.1 188 218 A G T 5S+ 0 0 27 -3,-0.5 -3,-0.2 1,-0.1 -2,-0.1 0.411 82.2 136.4 100.1 -0.4 30.1 -47.3 -8.0 189 219 A G < + 0 0 9 -5,-1.8 -8,-0.2 -10,-0.1 -9,-0.2 0.173 15.9 150.2 -66.4-171.0 33.3 -46.1 -6.3 190 220 A G > - 0 0 13 -10,-2.5 4,-2.0 -7,-0.3 -8,-0.1 -0.359 47.3-122.8 142.6 137.4 36.8 -46.4 -7.6 191 221 A M H > S+ 0 0 51 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.775 109.4 57.4 -76.2 -27.7 40.1 -44.5 -7.4 192 222 A E H > S+ 0 0 169 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.948 110.3 45.5 -67.7 -46.1 40.5 -43.9 -11.1 193 223 A K H > S+ 0 0 107 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.912 111.4 53.4 -57.8 -44.4 37.1 -42.2 -11.1 194 224 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.898 108.8 48.7 -61.0 -40.8 38.1 -40.2 -8.1 195 225 A H H X S+ 0 0 70 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.887 110.4 49.4 -67.1 -41.8 41.3 -39.0 -9.6 196 226 A T H X S+ 0 0 67 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.888 110.4 51.2 -64.8 -40.3 39.7 -37.9 -12.9 197 227 A A H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.946 110.4 49.7 -62.0 -44.3 37.0 -36.0 -10.9 198 228 A F H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.856 105.6 56.8 -60.7 -38.6 39.8 -34.3 -8.9 199 229 A E H X S+ 0 0 124 -4,-2.1 4,-0.7 2,-0.2 -1,-0.2 0.895 107.6 48.0 -58.9 -41.5 41.5 -33.4 -12.2 200 230 A H H >X S+ 0 0 70 -4,-1.9 3,-1.0 1,-0.2 4,-0.8 0.920 107.9 56.4 -64.8 -41.8 38.4 -31.6 -13.3 201 231 A L H >X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 3,-1.4 0.912 101.2 56.2 -55.0 -46.0 38.1 -29.8 -9.9 202 232 A T H 3< S+ 0 0 63 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.744 100.1 60.9 -62.3 -23.3 41.6 -28.3 -10.3 203 233 A R H << S+ 0 0 192 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.805 119.0 24.6 -70.0 -28.8 40.6 -26.7 -13.6 204 234 A Y H << S+ 0 0 82 -3,-1.4 -2,-0.2 -4,-0.8 -1,-0.1 0.604 96.0 104.4-114.2 -16.8 37.9 -24.6 -11.9 205 235 A C < - 0 0 26 -4,-2.0 2,-0.3 -5,-0.1 -35,-0.1 -0.276 66.1-110.1 -81.3 159.2 38.7 -24.2 -8.3 206 236 A S > - 0 0 27 -37,-0.2 3,-1.8 1,-0.1 6,-0.2 -0.588 9.4-134.5 -87.2 143.9 40.1 -21.1 -6.5 207 237 A A T 3 S+ 0 0 84 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.695 111.6 59.2 -59.0 -23.3 43.6 -20.6 -5.1 208 238 A H T 3 S+ 0 0 78 32,-0.1 -1,-0.3 36,-0.0 37,-0.1 0.340 85.8 100.5 -88.3 3.1 41.7 -19.1 -2.1 209 239 A D < - 0 0 36 -3,-1.8 4,-0.4 1,-0.1 3,-0.1 -0.829 47.3-177.0 -97.1 120.5 39.8 -22.4 -1.6 210 240 A P S > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 3,-0.2 0.731 73.0 75.7 -82.2 -22.3 41.1 -24.7 1.1 211 241 A D H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.823 89.3 52.4 -64.9 -38.3 38.6 -27.5 0.3 212 242 A H H > S+ 0 0 21 2,-0.2 4,-2.1 -6,-0.2 -1,-0.2 0.897 111.0 49.7 -68.4 -33.3 40.2 -28.8 -2.8 213 243 A H H > S+ 0 0 29 -4,-0.4 4,-2.2 -3,-0.2 -2,-0.2 0.930 112.8 46.9 -64.2 -45.7 43.5 -29.2 -0.8 214 244 A I H X S+ 0 0 11 -4,-2.2 4,-3.2 2,-0.2 5,-0.4 0.913 110.1 52.7 -63.6 -43.6 41.7 -31.0 2.0 215 245 A T H X>S+ 0 0 5 -4,-2.9 4,-2.3 1,-0.2 5,-1.0 0.933 108.7 50.9 -57.1 -45.1 39.9 -33.3 -0.5 216 246 A Y H X>S+ 0 0 74 -4,-2.1 5,-2.1 1,-0.2 4,-0.9 0.941 116.6 40.5 -56.6 -47.5 43.2 -34.2 -2.0 217 247 A A H <>S+ 0 0 0 -4,-2.2 5,-1.4 3,-0.2 -2,-0.2 0.931 124.6 34.7 -66.6 -47.5 44.7 -35.0 1.4 218 248 A D H <5S+ 0 0 54 -4,-3.2 -3,-0.2 3,-0.2 -2,-0.2 0.913 126.1 32.3 -81.6 -48.7 41.7 -36.8 2.9 219 249 A A H <5S+ 0 0 13 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.839 135.0 20.2 -80.3 -34.5 40.1 -38.6 -0.0 220 250 A L T X4< + 0 0 61 -5,-2.6 4,-2.2 1,-0.2 -1,-0.2 -0.708 8.4 163.3 -98.8 81.7 50.8 -40.8 0.6 227 257 A R H > S+ 0 0 95 -2,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.879 71.5 58.2 -67.6 -39.5 51.7 -39.0 3.8 228 258 A A H > S+ 0 0 64 2,-0.2 4,-2.2 -3,-0.2 5,-0.2 0.957 111.2 41.0 -50.9 -56.9 54.1 -36.5 2.0 229 259 A G H > S+ 0 0 6 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.885 110.5 58.5 -61.4 -42.5 51.3 -35.3 -0.2 230 260 A F H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.945 109.5 44.6 -48.0 -52.9 48.8 -35.3 2.7 231 261 A D H X S+ 0 0 41 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.942 114.2 46.8 -64.3 -51.8 51.1 -32.8 4.6 232 262 A E H X S+ 0 0 111 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.913 111.6 52.2 -52.4 -48.1 51.8 -30.5 1.7 233 263 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.929 111.9 44.7 -60.6 -45.3 48.2 -30.3 0.7 234 264 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.818 109.1 56.4 -69.6 -31.3 47.1 -29.4 4.2 235 265 A D H X S+ 0 0 87 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.896 108.2 49.1 -64.9 -38.1 49.9 -26.9 4.5 236 266 A R H >X S+ 0 0 119 -4,-2.3 3,-0.7 2,-0.2 4,-0.7 0.929 109.2 51.4 -64.7 -43.7 48.5 -25.3 1.3 237 267 A A H >< S+ 0 0 0 -4,-2.3 3,-0.6 1,-0.2 -2,-0.2 0.895 113.6 45.9 -56.7 -41.1 44.9 -25.3 2.9 238 268 A L H 3< S+ 0 0 48 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.578 98.5 69.2 -81.3 -11.9 46.4 -23.6 6.0 239 269 A A H << S+ 0 0 83 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.715 76.4 104.6 -79.1 -18.8 48.4 -21.0 4.0 240 270 A I << - 0 0 16 -4,-0.7 3,-0.1 -3,-0.6 -32,-0.1 -0.388 69.7-138.1 -65.1 132.1 45.2 -19.3 2.9 241 271 A D >> - 0 0 81 1,-0.2 3,-2.6 -2,-0.1 4,-0.7 -0.846 5.5-156.5 -97.5 109.2 44.4 -16.0 4.7 242 272 A P G >4 S+ 0 0 18 0, 0.0 3,-0.7 0, 0.0 -1,-0.2 0.792 93.9 61.1 -53.4 -33.8 40.7 -15.9 5.5 243 273 A E G 34 S+ 0 0 120 1,-0.2 6,-0.1 -3,-0.1 -2,-0.0 0.683 104.8 49.8 -67.1 -17.4 40.9 -12.1 5.7 244 274 A S G <4 S+ 0 0 76 -3,-2.6 -1,-0.2 5,-0.0 -36,-0.0 0.572 82.7 110.6 -97.9 -14.2 42.0 -12.0 2.0 245 275 A V << - 0 0 16 -3,-0.7 4,-0.2 -4,-0.7 3,-0.1 -0.370 68.0-134.4 -69.7 142.7 39.3 -14.2 0.5 246 276 A P S S- 0 0 97 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.788 80.1 -19.7 -67.4 -28.4 36.8 -12.5 -1.8 247 277 A H S S+ 0 0 89 1,-0.1 5,-0.1 2,-0.0 -239,-0.1 -0.973 109.6 55.3-167.2 176.9 33.9 -14.3 -0.1 248 278 A N > + 0 0 53 -2,-0.3 4,-2.3 1,-0.1 3,-0.4 0.767 50.0 160.0 55.8 32.5 32.8 -17.2 2.1 249 279 A K H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 -241,-0.2 0.891 71.8 58.5 -44.5 -41.6 35.3 -16.3 4.8 250 280 A L H > S+ 0 0 10 -243,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.939 105.8 45.7 -59.2 -47.0 33.1 -18.5 7.2 251 281 A L H > S+ 0 0 47 -244,-0.4 4,-3.2 -3,-0.4 5,-0.2 0.915 110.9 53.4 -65.7 -39.6 33.5 -21.6 5.1 252 282 A V H X S+ 0 0 9 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.933 108.8 49.9 -56.5 -47.9 37.3 -21.1 4.8 253 283 A I H X S+ 0 0 32 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.894 112.3 48.2 -55.5 -44.7 37.5 -20.8 8.6 254 284 A L H X S+ 0 0 32 -4,-2.2 4,-1.8 -5,-0.2 -2,-0.2 0.950 112.5 47.5 -62.8 -49.6 35.5 -24.0 8.9 255 285 A S H X S+ 0 0 13 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.867 109.3 53.4 -61.4 -37.6 37.7 -25.8 6.4 256 286 A Q H X S+ 0 0 7 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.895 105.1 54.0 -69.6 -35.4 40.9 -24.6 8.1 257 287 A K H X S+ 0 0 90 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.910 110.2 49.3 -55.8 -43.2 39.7 -26.0 11.4 258 288 A R H X S+ 0 0 45 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.904 110.2 48.5 -64.8 -43.3 39.2 -29.3 9.7 259 289 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.896 109.6 53.4 -63.7 -41.2 42.7 -29.3 8.1 260 290 A R H X S+ 0 0 132 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.914 110.0 48.2 -57.5 -43.3 44.2 -28.4 11.5 261 291 A W H X S+ 0 0 53 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.928 109.3 52.1 -64.3 -45.7 42.4 -31.4 12.9 262 292 A L H < S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.938 110.2 49.0 -54.8 -49.2 43.6 -33.7 10.1 263 293 A K H >< S+ 0 0 54 -4,-2.5 3,-1.6 1,-0.2 4,-0.2 0.930 110.2 50.6 -57.3 -46.7 47.2 -32.6 10.7 264 294 A A H 3< S+ 0 0 82 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.850 116.1 43.1 -59.8 -33.2 46.9 -33.2 14.5 265 295 A H T >X S+ 0 0 62 -4,-2.1 3,-1.8 1,-0.2 4,-0.6 0.076 74.2 121.3-100.6 23.8 45.6 -36.7 13.8 266 296 A V H X> + 0 0 14 -3,-1.6 3,-1.8 1,-0.3 4,-1.4 0.880 69.2 61.8 -57.1 -37.6 48.0 -37.7 11.0 267 297 A Q H 34 S+ 0 0 129 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.695 95.4 62.1 -62.5 -22.0 49.2 -40.7 13.0 268 298 A D H <4 S+ 0 0 101 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.761 110.3 39.5 -69.2 -27.2 45.6 -42.1 12.8 269 299 A F H << S+ 0 0 60 -3,-1.8 2,-0.3 -4,-0.6 -2,-0.2 0.675 114.2 43.4-106.1 -21.5 45.8 -42.3 9.1 270 300 A F < 0 0 10 -4,-1.4 -48,-0.0 1,-0.1 -44,-0.0 -0.813 360.0 360.0-124.4 165.9 49.3 -43.5 8.2 271 301 A L 0 0 218 -2,-0.3 -1,-0.1 -46,-0.1 -4,-0.0 0.561 360.0 360.0-128.6 360.0 51.9 -46.0 9.4