==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 30-JUL-12 4B4A . COMPND 2 MOLECULE: SEC-INDEPENDENT PROTEIN TRANSLOCASE PROTEIN TATC; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR S.E.ROLLAUER,M.J.TARRY,M.JAASKELAINEN,J.E.GRAHAM,F.JAEGER, . 225 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13097.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 76.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 60.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.2 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 1 0 0 1 0 0 0 0 1 0 0 1 0 2 0 1 0 0 1 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 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 . 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 5 A E > 0 0 169 0, 0.0 4,-3.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -56.1 24.7 16.0 28.1 2 6 A H H > + 0 0 103 2,-0.2 4,-0.9 1,-0.2 5,-0.1 0.746 360.0 52.1 -64.1 -28.6 25.8 18.8 25.7 3 7 A L H > S+ 0 0 96 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.900 115.7 38.7 -71.1 -46.8 22.5 18.0 23.8 4 8 A R H 4 S+ 0 0 140 2,-0.2 -2,-0.2 1,-0.2 5,-0.2 0.817 106.1 65.9 -75.9 -38.5 20.4 18.4 27.1 5 9 A E H >X S+ 0 0 80 -4,-3.1 4,-2.4 1,-0.2 3,-0.9 0.858 105.7 43.8 -52.0 -46.0 22.4 21.4 28.5 6 10 A L H 3X S+ 0 0 68 -4,-0.9 4,-2.7 1,-0.2 5,-0.3 0.939 106.5 60.5 -65.8 -47.7 21.2 23.6 25.6 7 11 A R H 3< S+ 0 0 153 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.187 116.7 34.1 -68.1 17.0 17.6 22.3 25.9 8 12 A Y H <> S+ 0 0 152 -3,-0.9 4,-1.5 -2,-0.1 -1,-0.2 0.442 115.1 52.6-135.4 -42.6 17.6 23.7 29.6 9 13 A R H X S+ 0 0 41 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.761 109.7 53.6 -68.2 -27.4 19.8 26.8 29.2 10 14 A L H X S+ 0 0 84 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.973 108.8 47.2 -67.9 -53.8 17.4 27.8 26.3 11 15 A I H > S+ 0 0 95 -5,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.710 112.1 50.5 -60.1 -31.6 14.3 27.5 28.6 12 16 A I H X S+ 0 0 83 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.883 113.9 44.7 -73.2 -43.8 16.1 29.5 31.4 13 17 A S H X S+ 0 0 12 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.881 116.0 46.5 -68.6 -38.5 16.9 32.3 28.8 14 18 A I H X S+ 0 0 96 -4,-3.0 4,-1.6 2,-0.2 -2,-0.2 0.862 111.6 52.1 -70.4 -36.8 13.4 32.1 27.4 15 19 A I H X S+ 0 0 102 -4,-1.7 4,-1.3 -5,-0.2 -2,-0.2 0.862 111.6 47.4 -65.5 -36.4 11.9 32.2 30.9 16 20 A A H X S+ 0 0 16 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.862 108.1 54.6 -69.9 -43.6 14.1 35.3 31.7 17 21 A F H X S+ 0 0 49 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.846 110.0 46.0 -60.6 -40.4 13.0 37.1 28.5 18 22 A L H X S+ 0 0 102 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.819 112.4 50.2 -74.3 -34.2 9.3 36.7 29.3 19 23 A I H X S+ 0 0 110 -4,-1.3 4,-1.5 2,-0.2 -2,-0.2 0.951 115.7 44.4 -65.2 -47.8 9.8 37.9 32.9 20 24 A G H X S+ 0 0 3 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.847 112.0 52.4 -61.6 -40.1 11.8 40.9 31.5 21 25 A S H X S+ 0 0 11 -4,-2.1 4,-1.7 47,-0.2 -1,-0.2 0.851 107.1 52.5 -65.4 -38.6 9.0 41.4 28.8 22 26 A G H X S+ 0 0 43 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.824 109.3 48.6 -66.3 -36.4 6.3 41.5 31.4 23 27 A I H X S+ 0 0 75 -4,-1.5 4,-1.5 2,-0.2 3,-0.4 0.965 111.2 50.7 -64.9 -52.7 8.2 44.2 33.4 24 28 A A H < S+ 0 0 5 -4,-2.2 -2,-0.2 40,-0.3 7,-0.2 0.794 106.6 57.0 -54.8 -34.3 8.6 46.2 30.1 25 29 A F H >< S+ 0 0 95 -4,-1.7 3,-1.3 39,-0.2 -1,-0.2 0.912 103.7 51.4 -64.8 -48.0 4.9 45.8 29.5 26 30 A Y H 3< S+ 0 0 187 -4,-1.5 3,-0.5 -3,-0.4 2,-0.2 0.965 120.0 32.5 -56.9 -56.2 3.9 47.4 32.8 27 31 A F T 3X S+ 0 0 116 -4,-1.5 4,-1.1 1,-0.2 -1,-0.3 -0.170 86.3 116.8 -92.7 38.2 6.1 50.6 32.4 28 32 A A H <> + 0 0 4 -3,-1.3 4,-2.3 -2,-0.2 -1,-0.2 0.789 66.2 60.8 -76.1 -31.3 5.6 50.6 28.5 29 33 A K H > S+ 0 0 184 -3,-0.5 4,-0.6 -4,-0.2 -1,-0.2 0.852 108.8 44.0 -66.0 -32.0 3.8 54.0 28.4 30 34 A Y H > S+ 0 0 137 2,-0.2 4,-1.2 1,-0.2 3,-0.3 0.825 112.0 51.7 -77.5 -37.0 6.8 55.7 29.9 31 35 A V H X S+ 0 0 19 -4,-1.1 4,-2.0 1,-0.2 -2,-0.2 0.860 104.0 59.2 -66.0 -35.8 9.3 53.7 27.6 32 36 A F H X S+ 0 0 51 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.788 103.2 53.4 -60.3 -30.7 7.0 54.9 24.7 33 37 A E H X S+ 0 0 117 -4,-0.6 4,-1.7 -3,-0.3 -1,-0.2 0.860 106.2 50.4 -71.2 -44.8 8.0 58.5 25.9 34 38 A I H < S+ 0 0 54 -4,-1.2 -2,-0.2 2,-0.2 -1,-0.2 0.875 113.9 46.5 -61.8 -39.6 11.8 57.8 25.7 35 39 A L H < S+ 0 0 12 -4,-2.0 4,-0.4 1,-0.2 -2,-0.2 0.935 112.5 47.5 -70.4 -45.0 11.3 56.5 22.2 36 40 A K H >X S+ 0 0 66 -4,-2.0 4,-2.3 1,-0.2 3,-0.8 0.773 95.4 82.6 -64.8 -29.9 9.1 59.5 21.0 37 41 A E H 3X S+ 0 0 98 -4,-1.7 4,-1.7 1,-0.2 5,-0.3 0.806 80.9 56.9 -46.5 -50.1 11.7 62.0 22.6 38 42 A P H 3> S+ 0 0 21 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.833 118.0 32.9 -56.2 -38.6 14.3 62.1 19.7 39 43 A I H <> S+ 0 0 0 -3,-0.8 4,-2.1 -4,-0.4 -2,-0.2 0.931 112.4 62.1 -79.2 -51.4 11.7 63.3 17.1 40 44 A L H < S+ 0 0 68 -4,-2.3 -3,-0.2 1,-0.2 -1,-0.1 0.740 115.9 32.5 -45.4 -36.6 9.6 65.3 19.5 41 45 A K H < S+ 0 0 170 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.886 122.3 42.2 -92.5 -46.8 12.5 67.6 20.2 42 46 A S H < S+ 0 0 77 -4,-1.3 -3,-0.2 -5,-0.3 -2,-0.2 0.948 131.4 18.1 -67.9 -52.8 14.5 67.8 17.0 43 47 A Y >< + 0 0 14 -4,-2.1 3,-1.4 -5,-0.2 -1,-0.2 -0.740 67.3 163.3-121.3 75.6 11.5 68.1 14.4 44 48 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.684 72.9 68.1 -69.4 -15.6 8.5 69.2 16.5 45 49 A E T 3 S+ 0 0 120 -3,-0.1 2,-0.5 2,-0.1 -5,-0.1 0.666 83.1 91.2 -71.3 -20.4 6.7 70.2 13.3 46 50 A V S < S- 0 0 12 -3,-1.4 2,-0.4 -7,-0.2 91,-0.1 -0.730 73.4-146.3 -84.1 118.0 6.5 66.5 12.5 47 51 A E - 0 0 117 90,-2.3 93,-1.0 -2,-0.5 2,-1.0 -0.725 5.4-144.6 -89.9 134.1 3.3 64.9 13.8 48 52 A L E +a 140 0A 31 -2,-0.4 93,-0.2 91,-0.1 2,-0.1 -0.730 33.0 172.6-100.0 78.8 3.3 61.3 15.1 49 53 A I E -a 141 0A 44 91,-1.3 93,-1.9 -2,-1.0 2,-0.8 -0.391 39.1-119.8 -80.7 162.9 -0.2 60.2 13.9 50 54 A T + 0 0 72 91,-0.2 91,-0.1 1,-0.2 5,-0.1 -0.764 35.5 170.3-108.9 81.0 -1.5 56.6 14.2 51 55 A L + 0 0 141 -2,-0.8 -1,-0.2 89,-0.1 90,-0.1 0.812 57.4 93.2 -56.0 -32.6 -2.2 55.9 10.5 52 56 A S S S- 0 0 22 -3,-0.2 -2,-0.1 3,-0.1 90,-0.1 -0.120 87.4-119.4 -54.9 151.3 -2.7 52.3 11.7 53 57 A P S S- 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.882 82.6 -26.5 -65.9 -98.1 -6.5 51.4 12.5 54 58 A T S S+ 0 0 120 1,-0.1 3,-0.2 2,-0.0 -2,-0.0 -0.560 100.1 125.0-115.6 63.4 -6.8 50.5 16.2 55 59 A E > + 0 0 61 -2,-0.3 4,-0.8 1,-0.1 -1,-0.1 -0.401 14.0 120.2-119.2 57.9 -3.2 49.2 16.7 56 60 A P H > S+ 0 0 82 0, 0.0 4,-0.8 0, 0.0 -1,-0.1 0.571 79.2 61.4 -90.1 -8.2 -1.6 51.0 19.7 57 61 A L H > S+ 0 0 95 2,-0.2 4,-3.5 -3,-0.2 5,-0.2 0.734 96.1 56.7 -83.3 -31.1 -1.2 47.5 21.3 58 62 A F H > S+ 0 0 112 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.940 108.6 47.6 -64.5 -42.4 1.0 46.3 18.4 59 63 A I H X S+ 0 0 6 -4,-0.8 4,-1.9 2,-0.2 -2,-0.2 0.829 114.5 48.7 -62.6 -36.0 3.3 49.3 19.3 60 64 A L H X S+ 0 0 38 -4,-0.8 4,-3.6 2,-0.2 5,-0.2 0.959 110.8 47.1 -69.6 -53.3 3.0 48.2 22.9 61 65 A I H X S+ 0 0 72 -4,-3.5 4,-2.2 2,-0.2 -2,-0.2 0.886 113.2 50.0 -57.2 -39.1 3.8 44.5 22.2 62 66 A K H X S+ 0 0 69 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.924 115.4 44.2 -62.7 -45.1 6.8 45.6 20.1 63 67 A I H X S+ 0 0 2 -4,-1.9 4,-2.2 2,-0.2 5,-0.4 0.925 114.3 48.2 -65.7 -48.4 8.0 47.9 23.0 64 68 A S H X S+ 0 0 8 -4,-3.6 4,-0.9 1,-0.2 -40,-0.3 0.840 116.1 45.4 -63.8 -32.4 7.3 45.2 25.7 65 69 A L H < S+ 0 0 77 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.889 116.7 40.7 -78.4 -43.8 9.2 42.6 23.6 66 70 A A H X S+ 0 0 18 -4,-2.3 4,-0.8 2,-0.2 3,-0.5 0.903 121.3 41.3 -71.1 -46.2 12.3 44.7 22.6 67 71 A V H X S+ 0 0 33 -4,-2.2 4,-1.3 -5,-0.2 3,-0.4 0.837 109.4 61.0 -72.4 -30.4 12.8 46.4 26.0 68 72 A G H X S+ 0 0 0 -4,-0.9 4,-1.1 -5,-0.4 -47,-0.2 0.705 103.9 51.2 -65.3 -22.0 12.1 43.0 27.7 69 73 A F H > S+ 0 0 53 -3,-0.5 4,-0.7 -4,-0.5 -1,-0.2 0.725 104.8 53.8 -85.7 -29.1 15.1 41.7 25.9 70 74 A I H < S+ 0 0 31 -4,-0.8 -2,-0.2 -3,-0.4 -1,-0.1 0.735 110.6 48.9 -76.8 -25.5 17.5 44.6 27.1 71 75 A I H < S+ 0 0 72 -4,-1.3 4,-0.2 1,-0.1 -2,-0.2 0.889 116.6 41.8 -75.0 -45.9 16.4 43.7 30.7 72 76 A A H X S+ 0 0 4 -4,-1.1 4,-2.8 1,-0.2 3,-0.5 0.515 87.7 96.6 -82.3 -7.7 17.1 39.9 30.0 73 77 A S H X S+ 0 0 5 -4,-0.7 4,-2.9 1,-0.2 5,-0.2 0.891 81.6 52.7 -52.3 -42.9 20.4 40.7 28.1 74 78 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.865 114.5 41.8 -61.3 -37.8 22.5 40.0 31.3 75 79 A V H > S+ 0 0 62 -3,-0.5 4,-2.1 -4,-0.2 -2,-0.2 0.919 116.7 47.7 -70.0 -49.4 20.9 36.6 31.8 76 80 A I H X S+ 0 0 47 -4,-2.8 4,-1.6 1,-0.2 -3,-0.2 0.902 110.0 52.5 -60.4 -42.8 21.0 35.7 28.1 77 81 A L H X S+ 0 0 17 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.838 110.4 50.6 -58.2 -39.0 24.7 36.8 27.8 78 82 A Y H X S+ 0 0 64 -4,-1.1 4,-2.3 -5,-0.2 5,-0.2 0.893 106.7 51.6 -67.6 -46.4 25.4 34.4 30.8 79 83 A Q H X S+ 0 0 23 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.824 113.9 45.6 -63.9 -30.2 23.7 31.4 29.3 80 84 A F H >X S+ 0 0 86 -4,-1.6 4,-0.9 2,-0.2 3,-0.8 0.988 115.3 46.1 -70.2 -61.8 25.8 31.9 26.1 81 85 A W H 3X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.3 -2,-0.2 0.688 113.8 47.7 -53.4 -32.6 29.1 32.4 28.0 82 86 A R H 3< S+ 0 0 101 -4,-2.3 5,-0.5 2,-0.2 -1,-0.3 0.766 108.2 54.8 -83.5 -25.8 28.6 29.5 30.4 83 87 A F H << S+ 0 0 33 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.610 122.9 29.0 -78.6 -15.4 27.6 27.0 27.5 84 88 A I H X>S+ 0 0 17 -4,-0.9 4,-3.7 1,-0.3 5,-1.4 0.807 106.6 73.1-110.3 -57.0 30.9 27.9 25.8 85 89 A E T <5S- 0 0 0 -4,-1.9 -1,-0.3 2,-0.3 6,-0.1 -0.944 117.6 -5.6-123.5 133.2 33.6 28.9 28.4 86 90 A P T 45S+ 0 0 47 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 -0.999 130.4 73.3 -71.4 -6.6 35.2 27.1 30.4 87 91 A A T 45S- 0 0 54 -5,-0.5 -2,-0.3 -6,-0.2 -3,-0.1 0.612 125.6 -14.9 -37.5 -39.7 32.7 24.5 28.8 88 92 A L T <5S+ 0 0 87 -4,-3.7 -3,-0.2 2,-0.1 -1,-0.2 0.537 135.6 25.9-139.3 -45.2 34.4 24.3 25.4 89 93 A Y S - 0 0 130 1,-0.1 3,-0.7 2,-0.1 4,-0.4 -0.628 53.2-158.8 -83.6 131.4 39.8 29.9 33.8 93 97 A K T 3> S+ 0 0 96 -2,-0.3 4,-0.7 1,-0.2 -1,-0.1 0.542 94.7 59.1 -82.7 -9.3 36.5 31.0 35.6 94 98 A R T 34 S+ 0 0 226 2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 -0.145 102.8 52.8-109.3 34.4 38.1 34.3 36.7 95 99 A A T <4 S+ 0 0 35 -3,-0.7 4,-0.5 2,-0.0 -2,-0.2 0.273 104.6 58.7-128.9 -24.6 38.7 35.2 33.0 96 100 A F T > S+ 0 0 1 -4,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.800 99.6 56.1 -74.3 -43.5 34.9 34.4 32.6 97 101 A I H X S+ 0 0 75 -4,-0.7 4,-2.3 2,-0.2 5,-0.3 0.977 110.2 42.2 -61.6 -54.2 33.9 37.1 35.2 98 102 A P H > S+ 0 0 78 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.728 115.0 55.0 -66.4 -16.5 35.7 40.0 33.3 99 103 A L H > S+ 0 0 21 -4,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.933 109.2 44.2 -75.6 -49.0 34.3 38.5 30.1 100 104 A L H X S+ 0 0 24 -4,-2.7 4,-2.0 2,-0.2 -3,-0.1 0.922 117.6 45.3 -60.3 -49.5 30.6 38.5 31.4 101 105 A L H X S+ 0 0 103 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.890 114.9 48.6 -59.3 -46.5 31.0 42.1 32.8 102 106 A G H < S+ 0 0 20 -4,-1.5 4,-0.4 -5,-0.3 -2,-0.2 0.868 115.6 43.2 -63.1 -40.8 32.7 43.2 29.6 103 107 A S H X S+ 0 0 0 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.739 111.1 55.3 -77.9 -25.8 30.0 41.6 27.4 104 108 A I H X S+ 0 0 47 -4,-2.0 4,-1.1 1,-0.2 3,-0.3 0.915 112.5 43.2 -71.2 -41.6 27.2 43.0 29.7 105 109 A L H X S+ 0 0 103 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.511 108.0 60.0 -82.2 -7.8 28.6 46.5 29.2 106 110 A L H > S+ 0 0 37 -4,-0.4 4,-1.0 2,-0.2 -1,-0.2 0.755 104.4 48.7 -89.0 -25.9 29.1 46.0 25.4 107 111 A F H X S+ 0 0 8 -4,-1.0 4,-1.7 -3,-0.3 -2,-0.2 0.847 114.0 47.9 -75.4 -36.9 25.4 45.3 24.8 108 112 A X H X S+ 0 0 85 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.852 111.7 47.9 -71.8 -38.0 24.6 48.5 26.9 109 113 A L H X S+ 0 0 88 -4,-1.2 4,-1.6 2,-0.2 -1,-0.2 0.802 109.7 56.3 -72.9 -27.2 27.1 50.6 25.0 110 114 A G H X S+ 0 0 0 -4,-1.0 4,-1.7 2,-0.2 47,-0.3 0.903 109.1 43.7 -67.8 -46.4 25.6 49.2 21.7 111 115 A A H X S+ 0 0 10 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.922 113.5 51.3 -65.3 -46.5 22.1 50.3 22.5 112 116 A L H X S+ 0 0 88 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.826 108.4 53.9 -59.8 -36.0 23.3 53.8 23.7 113 117 A F H X>S+ 0 0 43 -4,-1.6 5,-2.0 2,-0.2 4,-1.6 0.907 111.9 43.2 -66.5 -42.2 25.3 54.1 20.4 114 118 A A H <>S+ 0 0 0 -4,-1.7 5,-2.8 3,-0.2 -2,-0.2 0.958 119.0 42.6 -68.1 -48.3 22.1 53.4 18.4 115 119 A Y H <5S+ 0 0 28 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.794 126.3 31.1 -68.3 -33.5 19.8 55.7 20.5 116 120 A F H <5S+ 0 0 120 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.546 135.3 14.1-105.0 -10.5 22.3 58.6 20.8 117 121 A I T X5S+ 0 0 84 -4,-1.6 4,-1.2 -5,-0.2 -3,-0.2 0.643 124.7 42.2-129.4 -55.9 24.4 58.5 17.6 118 122 A V H > S+ 0 0 52 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.881 117.9 47.5 -56.0 -34.3 19.7 61.4 15.5 121 125 A L H X S+ 0 0 75 -4,-1.2 4,-1.9 1,-0.2 -2,-0.2 0.914 108.5 53.6 -68.3 -44.7 21.9 61.0 12.5 122 126 A A H < S+ 0 0 1 -4,-2.4 4,-0.3 1,-0.2 -1,-0.2 0.693 108.4 51.6 -64.1 -23.4 19.3 58.8 10.8 123 127 A L H X>S+ 0 0 7 -4,-1.5 4,-2.5 2,-0.2 5,-1.2 0.871 108.6 48.0 -83.7 -38.5 16.7 61.5 11.4 124 128 A K H <5S+ 0 0 114 -4,-1.7 4,-0.2 1,-0.2 -2,-0.2 0.869 112.1 50.6 -68.4 -33.9 18.7 64.4 9.8 125 129 A F T <5S+ 0 0 78 -4,-1.9 -1,-0.2 3,-0.1 -2,-0.2 0.650 121.0 37.5 -72.6 -19.1 19.5 62.1 6.7 126 130 A L T 45S- 0 0 66 -3,-0.4 -2,-0.2 -4,-0.3 -3,-0.2 0.896 139.9 -2.2 -96.4 -68.2 15.7 61.4 6.5 127 131 A L T <5S+ 0 0 15 -4,-2.5 5,-0.3 1,-0.1 -3,-0.2 0.479 122.2 67.1-111.0 -5.1 13.6 64.5 7.4 128 132 A G < + 0 0 10 -5,-1.2 2,-2.0 -4,-0.2 -4,-0.2 0.289 63.6 115.7 -97.6 8.1 16.4 67.1 8.3 129 133 A L S S- 0 0 118 -6,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.517 93.3 -78.2 -81.0 73.7 17.7 67.3 4.7 130 134 A G S S- 0 0 49 -2,-2.0 2,-0.6 1,-0.2 3,-0.0 -0.543 106.5 -0.1 75.8-128.6 16.8 70.9 4.1 131 135 A F S > S+ 0 0 179 -2,-0.3 3,-0.5 1,-0.2 -1,-0.2 -0.373 81.7 126.3 -97.1 52.2 13.2 71.9 3.3 132 136 A T T 3 + 0 0 40 -2,-0.6 -1,-0.2 -5,-0.3 -2,-0.1 -0.038 39.9 108.8 -95.0 26.6 11.7 68.3 3.3 133 137 A Q T 3 S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.620 71.3 58.4 -75.2 -23.6 9.2 69.8 5.9 134 138 A L S < S+ 0 0 144 -3,-0.5 3,-0.2 1,-0.2 -1,-0.2 0.859 108.5 41.8 -76.0 -44.3 6.4 69.5 3.1 135 139 A L S S+ 0 0 136 1,-0.2 -1,-0.2 -4,-0.1 2,-0.2 0.197 118.6 52.7 -89.6 12.0 6.8 65.7 2.6 136 140 A A S S+ 0 0 8 -3,-0.2 -1,-0.2 -9,-0.1 -91,-0.0 -0.684 74.1 97.4-152.4 86.9 7.1 65.3 6.5 137 141 A T S > S- 0 0 56 -3,-0.2 -90,-2.3 -2,-0.2 3,-0.7 0.149 106.8 -6.5-136.5 -97.7 4.3 66.8 8.5 138 142 A P T 3 S+ 0 0 62 0, 0.0 -89,-0.2 0, 0.0 -92,-0.1 0.241 113.5 104.2 -85.6 22.1 1.3 64.5 9.7 139 143 A Y T 3 + 0 0 139 -91,-0.1 2,-0.6 2,-0.1 -91,-0.1 0.519 51.1 95.6 -75.2 -12.2 3.3 62.1 7.5 140 144 A L E < -a 48 0A 29 -93,-1.0 -91,-1.3 -3,-0.7 2,-0.4 -0.768 59.7-155.1 -92.3 120.2 4.9 60.1 10.3 141 145 A S E >> -a 49 0A 7 -2,-0.6 4,-2.1 -93,-0.2 3,-0.5 -0.766 12.8-142.8 -87.9 132.3 3.2 56.8 11.5 142 146 A V H 3> S+ 0 0 5 -93,-1.9 4,-2.9 -2,-0.4 5,-0.3 0.867 102.0 56.1 -63.6 -35.5 4.1 56.0 15.2 143 147 A D H 3> S+ 0 0 28 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.770 109.9 48.3 -65.0 -27.3 4.2 52.2 14.4 144 148 A X H <> S+ 0 0 124 -3,-0.5 4,-2.2 2,-0.1 -2,-0.2 0.981 116.2 40.1 -73.5 -60.8 6.8 53.1 11.7 145 149 A Y H X S+ 0 0 8 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.866 115.5 49.9 -54.9 -50.8 9.0 55.3 13.9 146 150 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.936 112.3 48.2 -57.2 -50.5 8.9 53.2 17.1 147 151 A S H X S+ 0 0 19 -4,-1.0 4,-2.8 -5,-0.3 5,-0.2 0.938 108.6 52.4 -56.8 -53.1 9.8 50.0 15.2 148 152 A F H X S+ 0 0 19 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.856 112.3 47.5 -50.7 -43.1 12.8 51.6 13.4 149 153 A V H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 -1,-0.2 0.937 113.3 46.9 -63.4 -48.8 14.1 52.8 16.9 150 154 A L H X S+ 0 0 12 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.848 115.6 46.1 -61.5 -37.2 13.5 49.3 18.4 151 155 A K H X S+ 0 0 84 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.967 116.6 43.9 -68.5 -55.1 15.3 47.6 15.3 152 156 A L H X S+ 0 0 2 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.896 116.1 48.3 -56.1 -46.2 18.2 50.0 15.3 153 157 A V H X S+ 0 0 23 -4,-3.0 4,-0.9 -5,-0.2 -1,-0.2 0.834 117.2 39.6 -67.1 -37.9 18.6 49.9 19.2 154 158 A V H X S+ 0 0 27 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.898 113.4 54.5 -80.4 -43.4 18.5 46.0 19.4 155 159 A A H X S+ 0 0 25 -4,-2.9 4,-3.3 1,-0.2 5,-0.2 0.937 110.3 46.7 -55.8 -50.5 20.6 45.4 16.3 156 160 A F H X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.820 107.8 55.8 -64.8 -30.5 23.4 47.7 17.7 157 161 A G H >< S+ 0 0 0 -4,-0.9 3,-0.7 -47,-0.3 4,-0.4 0.982 116.2 37.3 -60.0 -53.9 23.4 46.0 21.1 158 162 A I H >< S+ 0 0 92 -4,-2.2 3,-1.4 1,-0.2 4,-0.5 0.866 111.6 59.2 -63.6 -44.3 24.0 42.6 19.4 159 163 A A H 3< S+ 0 0 16 -4,-3.3 3,-0.4 1,-0.3 -1,-0.2 0.728 102.3 55.9 -59.7 -24.8 26.4 44.1 16.7 160 164 A F T << S+ 0 0 24 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.645 95.4 65.0 -81.2 -19.3 28.6 45.3 19.6 161 165 A E S X> S+ 0 0 19 -3,-1.4 4,-2.1 -4,-0.4 3,-1.1 0.648 82.7 83.5 -77.2 -16.2 28.9 41.7 21.0 162 166 A X H 3> S+ 0 0 55 -4,-0.5 4,-2.7 -3,-0.4 5,-0.3 0.924 82.6 54.3 -55.5 -55.1 30.7 40.7 17.8 163 167 A P H 3> S+ 0 0 7 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.593 113.3 44.4 -63.7 -5.7 34.3 41.8 18.9 164 168 A I H <> S+ 0 0 36 -3,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.864 114.1 44.6-100.3 -45.4 34.1 39.7 22.1 165 169 A V H X S+ 0 0 37 -4,-2.1 4,-1.4 2,-0.2 -3,-0.2 0.874 120.4 46.3 -62.8 -34.6 32.6 36.5 20.7 166 170 A L H X S+ 0 0 31 -4,-2.7 4,-2.9 -5,-0.2 3,-0.5 0.974 110.2 48.5 -72.5 -54.7 35.2 36.9 17.8 167 171 A Y H X S+ 0 0 88 -4,-0.8 4,-2.3 -5,-0.3 -2,-0.2 0.877 115.0 48.9 -48.6 -44.7 38.3 37.7 20.0 168 172 A V H X S+ 0 0 1 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.813 113.2 45.2 -68.4 -33.6 37.3 34.6 22.1 169 173 A L H <>S+ 0 0 26 -4,-1.4 5,-2.7 -3,-0.5 6,-0.8 0.864 114.2 49.0 -76.4 -38.3 36.9 32.3 19.1 170 174 A Q H ><5S+ 0 0 1 -4,-2.9 3,-0.9 3,-0.2 -2,-0.2 0.874 111.9 49.2 -65.3 -40.8 40.2 33.6 17.5 171 175 A K H 3<5S+ 0 0 88 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.905 110.8 49.7 -61.6 -47.1 42.0 33.0 20.9 172 176 A A T 3<5S- 0 0 43 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.257 115.5-123.4 -76.0 6.6 40.5 29.4 21.0 173 177 A G T < 5S+ 0 0 56 -3,-0.9 -3,-0.2 2,-0.2 -2,-0.1 0.626 75.8 129.0 54.3 23.7 41.8 29.1 17.4 174 178 A V S > - 0 0 56 -2,-0.3 3,-1.4 -3,-0.1 4,-1.0 -0.850 25.5-117.4-108.5 150.6 42.0 32.8 12.3 177 181 A P H 3> S+ 0 0 17 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.728 118.8 56.2 -58.9 -21.0 42.3 36.6 11.7 178 182 A E H 3> S+ 0 0 140 2,-0.2 4,-0.6 1,-0.2 5,-0.1 0.788 100.0 59.4 -78.1 -29.2 43.1 35.8 8.0 179 183 A Q H <> S+ 0 0 95 -3,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.756 107.7 44.8 -69.9 -27.8 39.8 33.9 7.9 180 184 A L H X S+ 0 0 10 -4,-1.0 4,-0.8 2,-0.2 3,-0.3 0.883 109.8 55.9 -78.8 -39.8 37.9 37.1 8.8 181 185 A A H < S+ 0 0 49 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.568 109.6 47.4 -64.1 -16.9 40.1 39.0 6.2 182 186 A S H < S+ 0 0 71 -4,-0.6 3,-0.4 2,-0.1 -1,-0.2 0.707 108.5 52.8 -95.0 -30.6 38.8 36.5 3.6 183 187 A F H >X S+ 0 0 85 -4,-0.9 3,-2.5 -3,-0.3 4,-2.4 0.536 80.6 99.3 -83.3 -8.6 35.1 36.8 4.7 184 188 A R H 3X S+ 0 0 80 -4,-0.8 4,-2.3 1,-0.3 -1,-0.2 0.872 78.7 53.9 -41.3 -54.9 35.4 40.7 4.3 185 189 A K H 34 S+ 0 0 145 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.464 114.4 42.9 -65.3 -2.7 33.7 40.5 0.8 186 190 A Y H <> S+ 0 0 114 -3,-2.5 4,-2.2 2,-0.1 -1,-0.2 0.678 108.5 54.5-111.9 -34.2 30.8 38.6 2.3 187 191 A F H X S+ 0 0 10 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.850 101.2 61.8 -70.8 -27.5 30.4 40.6 5.5 188 192 A I H X S+ 0 0 91 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.917 110.0 41.4 -60.5 -39.5 30.0 43.7 3.2 189 193 A V H > S+ 0 0 86 2,-0.2 4,-1.3 -5,-0.2 -2,-0.2 0.880 113.0 53.6 -73.0 -36.1 26.9 42.0 1.8 190 194 A I H >X S+ 0 0 75 -4,-2.2 4,-2.5 2,-0.2 3,-0.6 0.955 111.5 46.1 -58.7 -53.6 25.9 40.8 5.4 191 195 A A H 3X S+ 0 0 1 -4,-3.2 4,-2.4 1,-0.3 -2,-0.2 0.864 114.3 46.7 -58.4 -42.2 26.0 44.5 6.7 192 196 A F H 3< S+ 0 0 67 -4,-1.8 4,-0.5 -5,-0.3 -1,-0.3 0.712 111.6 52.2 -75.7 -17.9 24.1 45.8 3.6 193 197 A V H S- 0 0 61 1,-0.1 4,-2.3 0, 0.0 3,-0.1 -0.785 83.1 -98.3-134.7 178.0 16.2 54.3 2.9 202 206 A V H > S+ 0 0 96 -2,-0.2 4,-3.1 2,-0.2 5,-0.3 0.936 118.3 59.0 -63.9 -47.0 19.7 54.0 1.3 203 207 A S H > S+ 0 0 44 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.793 115.5 35.8 -51.0 -38.3 21.1 57.0 3.4 204 208 A T H > S+ 0 0 0 2,-0.2 4,-1.3 3,-0.1 -1,-0.2 0.818 112.3 58.2 -86.5 -33.8 20.2 55.0 6.5 205 209 A Q H X S+ 0 0 42 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.899 114.8 39.8 -58.4 -43.6 21.1 51.5 5.1 206 210 A V H X S+ 0 0 56 -4,-3.1 4,-2.3 2,-0.2 -2,-0.2 0.965 110.4 58.4 -67.7 -53.6 24.7 53.0 4.5 207 211 A L H < S+ 0 0 22 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.672 113.5 41.1 -48.3 -26.5 24.6 54.9 7.8 208 212 A X H X S+ 0 0 2 -4,-1.3 4,-1.2 -3,-0.2 -1,-0.3 0.825 108.7 56.4 -91.3 -45.6 24.2 51.5 9.5 209 213 A A H >X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.2 3,-0.6 0.930 98.2 65.3 -57.3 -43.4 26.5 49.5 7.4 210 214 A I H 3X S+ 0 0 90 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.885 105.3 40.1 -46.1 -61.7 29.5 51.8 8.3 211 215 A P H 3> S+ 0 0 19 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.775 114.2 56.6 -61.7 -25.6 29.6 51.0 12.1 212 216 A L H X S+ 0 0 14 -4,-1.3 4,-1.4 -3,-0.3 3,-0.6 0.931 108.8 50.0 -71.9 -47.0 34.1 43.7 11.9 217 221 A E H 3X S+ 0 0 90 -4,-2.9 4,-0.8 1,-0.2 -2,-0.2 0.515 105.1 59.4 -70.0 -5.7 37.5 45.4 11.4 218 222 A I H 3> S+ 0 0 71 -4,-0.3 4,-1.1 -5,-0.2 -1,-0.2 0.821 102.6 52.6 -86.4 -35.9 37.8 45.7 15.2 219 223 A S H << S+ 0 0 0 -4,-1.0 3,-0.2 -3,-0.6 -2,-0.2 0.884 106.9 51.4 -64.6 -44.1 37.6 41.8 15.4 220 224 A I H >< S+ 0 0 44 -4,-1.4 3,-0.8 1,-0.2 -1,-0.2 0.887 109.1 50.7 -61.0 -40.7 40.5 41.4 12.9 221 225 A F H 3< S+ 0 0 126 -4,-0.8 -1,-0.2 1,-0.3 -2,-0.2 0.743 102.0 61.8 -68.3 -26.0 42.7 43.9 15.0 222 226 A L T 3< S+ 0 0 45 -4,-1.1 -1,-0.3 -3,-0.2 2,-0.3 -0.164 72.4 109.4 -90.1 33.9 41.8 41.7 18.0 223 227 A G < + 0 0 25 -3,-0.8 2,-0.9 -5,-0.1 -1,-0.2 -0.529 40.9 150.3-103.6 50.7 43.6 39.0 16.1 224 228 A K 0 0 135 -2,-0.3 -3,-0.0 -57,-0.1 -2,-0.0 -0.864 360.0 360.0 -94.4 95.3 46.4 39.2 18.7 225 229 A L 0 0 140 -2,-0.9 -54,-0.1 -52,-0.0 -2,-0.1 -0.707 360.0 360.0-138.2 360.0 47.8 35.6 18.7