==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 01-OCT-07 2VDA . COMPND 2 MOLECULE: TRANSLOCASE SUBUNIT SECA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR I.GELIS,A.M.J.J.BONVIN,D.KERAMISANOU,M.KOUKAKI,G.GOURIDIS, . 856 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 639 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 90 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.6 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 5 1 0 2 5 1 1 2 2 0 1 0 0 2 1 1 0 2 1 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 1 0 2 5 3 0 0 1 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 . 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 0 1 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 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 9 A V 0 0 141 0, 0.0 2,-0.3 0, 0.0 87,-0.0 0.000 360.0 360.0 360.0 152.8 -11.0 19.5 18.6 2 10 A F + 0 0 186 2,-0.1 2,-0.1 7,-0.0 0, 0.0 -0.993 360.0 61.0-137.8 144.5 -13.2 19.7 21.7 3 11 A G S S- 0 0 25 -2,-0.3 3,-0.1 2,-0.0 6,-0.1 0.044 87.6 -62.7 114.5 137.3 -16.3 17.8 22.8 4 12 A S > - 0 0 54 1,-0.1 5,-1.2 4,-0.1 4,-0.3 -0.220 63.1-108.7 -50.9 128.2 -17.0 14.1 23.6 5 13 A R T 5S- 0 0 79 3,-0.2 2,-1.8 2,-0.1 3,-0.3 -0.302 85.6 -10.8 -63.2 142.8 -16.5 12.0 20.5 6 14 A N T >5S+ 0 0 59 1,-0.2 4,-2.3 2,-0.1 -1,-0.1 -0.499 134.0 51.5 71.9 -82.0 -19.7 10.6 18.8 7 15 A D H >5S+ 0 0 96 -2,-1.8 4,-0.9 1,-0.2 3,-0.4 0.945 122.6 27.6 -49.6 -66.2 -22.3 11.4 21.4 8 16 A R H >5S+ 0 0 114 -3,-0.3 4,-2.4 -4,-0.3 -1,-0.2 0.798 115.4 65.6 -71.0 -27.6 -21.5 15.1 21.9 9 17 A T H >4 S+ 0 0 107 -4,-0.4 3,-1.2 1,-0.2 4,-0.3 0.880 106.9 52.2 -71.4 -39.5 -30.2 35.1 3.5 27 35 A M H >< S+ 0 0 2 -4,-2.0 3,-1.7 1,-0.3 -1,-0.2 0.843 100.4 62.5 -65.7 -33.6 -28.0 33.3 0.9 28 36 A E T 3< S+ 0 0 107 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.650 100.4 55.3 -66.5 -14.0 -31.0 33.1 -1.4 29 37 A K T < S+ 0 0 174 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.3 0.509 91.3 92.3 -94.8 -8.1 -30.9 36.9 -1.5 30 38 A L S < S- 0 0 42 -3,-1.7 5,-0.0 -4,-0.3 2,-0.0 -0.668 79.5-119.5 -88.5 142.0 -27.3 36.9 -2.6 31 39 A S >> - 0 0 60 -2,-0.3 4,-1.5 1,-0.1 3,-0.6 -0.255 27.1-104.5 -75.2 167.1 -26.6 37.0 -6.3 32 40 A D H 3> S+ 0 0 66 1,-0.3 4,-1.4 2,-0.2 3,-0.3 0.903 123.5 50.1 -58.8 -43.0 -24.6 34.3 -8.1 33 41 A E H 3> S+ 0 0 116 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.720 105.0 60.0 -69.8 -19.7 -21.5 36.5 -8.3 34 42 A E H <> S+ 0 0 88 -3,-0.6 4,-1.6 2,-0.2 -1,-0.2 0.865 100.3 53.1 -75.4 -36.8 -21.9 37.2 -4.6 35 43 A L H X S+ 0 0 0 -4,-1.5 4,-1.5 -3,-0.3 3,-0.2 0.916 110.1 49.0 -61.8 -41.4 -21.5 33.5 -3.7 36 44 A K H X S+ 0 0 71 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.846 108.6 54.3 -64.7 -35.1 -18.3 33.5 -5.8 37 45 A G H X S+ 0 0 40 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.788 103.6 55.0 -70.6 -28.8 -17.3 36.6 -3.8 38 46 A K H X S+ 0 0 31 -4,-1.6 4,-2.4 -3,-0.2 -1,-0.2 0.872 104.0 54.7 -71.8 -37.2 -17.8 34.8 -0.5 39 47 A T H X S+ 0 0 2 -4,-1.5 4,-1.4 1,-0.2 -2,-0.2 0.929 111.8 43.3 -60.9 -45.2 -15.5 32.0 -1.6 40 48 A A H X S+ 0 0 63 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.843 110.8 57.3 -68.6 -33.1 -12.7 34.6 -2.3 41 49 A E H X S+ 0 0 75 -4,-1.7 4,-3.0 1,-0.2 -2,-0.2 0.906 103.4 51.9 -63.3 -43.6 -13.6 36.3 0.9 42 50 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.874 106.0 55.8 -61.4 -37.3 -13.0 33.1 2.9 43 51 A R H X S+ 0 0 77 -4,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.928 112.5 41.4 -60.5 -45.4 -9.6 32.8 1.3 44 52 A A H X S+ 0 0 64 -4,-1.8 4,-1.1 1,-0.2 3,-0.4 0.917 113.9 52.0 -68.6 -44.3 -8.7 36.3 2.5 45 53 A R H X>S+ 0 0 42 -4,-3.0 4,-2.8 1,-0.2 5,-1.1 0.864 103.2 59.6 -61.1 -37.1 -10.2 35.8 5.9 46 54 A L H <5S+ 0 0 32 -4,-2.5 4,-0.3 1,-0.3 -1,-0.2 0.874 111.6 39.5 -59.9 -38.0 -8.2 32.6 6.4 47 55 A E H <5S+ 0 0 152 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.614 113.3 58.4 -86.6 -14.3 -5.0 34.5 6.0 48 56 A K H <5S- 0 0 185 -4,-1.1 -2,-0.2 -3,-0.2 -3,-0.2 0.944 133.0 -72.0 -77.7 -52.6 -6.4 37.4 8.0 49 57 A G T <5S+ 0 0 71 -4,-2.8 2,-0.4 -5,-0.1 -3,-0.2 0.306 84.0 133.7 157.5 45.9 -7.1 35.4 11.2 50 58 A E < - 0 0 53 -5,-1.1 2,-0.3 -4,-0.3 -1,-0.1 -0.930 48.6-128.2-117.6 139.0 -10.1 33.1 10.7 51 59 A V >> - 0 0 88 -2,-0.4 3,-1.0 1,-0.1 4,-0.8 -0.661 12.2-136.3 -85.5 138.7 -10.3 29.4 11.6 52 60 A L H >> S+ 0 0 14 -2,-0.3 3,-1.3 1,-0.3 4,-0.5 0.917 108.0 53.5 -57.7 -45.0 -11.4 26.9 8.9 53 61 A E H 34 S+ 0 0 87 1,-0.3 -1,-0.3 2,-0.2 3,-0.1 0.673 107.0 53.8 -64.7 -17.0 -13.7 25.2 11.4 54 62 A N H <4 S+ 0 0 93 -3,-1.0 4,-0.3 1,-0.2 -1,-0.3 0.619 100.0 60.4 -92.0 -14.7 -15.2 28.6 12.1 55 63 A L H S+ 0 0 26 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.916 119.8 32.0 -52.1 -48.4 -21.5 28.0 9.0 58 66 A E H > S+ 0 0 36 -4,-0.3 4,-2.1 -3,-0.2 -2,-0.2 0.912 119.9 51.8 -77.0 -44.0 -20.9 30.4 6.1 59 67 A A H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -3,-0.2 0.940 111.6 45.1 -59.2 -51.6 -19.0 27.9 3.8 60 68 A F H X S+ 0 0 0 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.832 110.6 56.1 -63.7 -32.4 -21.7 25.2 4.0 61 69 A A H X S+ 0 0 2 -4,-1.0 4,-2.3 -5,-0.4 -1,-0.2 0.920 107.0 48.7 -65.2 -43.4 -24.4 27.8 3.5 62 70 A V H X S+ 0 0 0 -4,-2.1 4,-3.3 2,-0.2 5,-0.2 0.912 111.4 50.1 -62.4 -43.0 -22.8 28.9 0.2 63 71 A V H X S+ 0 0 2 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.916 110.7 49.1 -62.0 -44.3 -22.5 25.3 -0.9 64 72 A R H X S+ 0 0 1 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.900 115.3 45.1 -62.0 -40.9 -26.1 24.6 -0.2 65 73 A E H >X S+ 0 0 8 -4,-2.3 4,-0.8 2,-0.2 3,-0.6 0.956 113.3 47.8 -67.6 -52.9 -27.1 27.8 -2.0 66 74 A A H >X S+ 0 0 0 -4,-3.3 4,-2.3 1,-0.2 3,-1.1 0.888 108.2 56.1 -56.7 -41.7 -24.9 27.2 -5.1 67 75 A S H 3X>S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.3 4,-1.9 0.830 101.7 57.1 -62.6 -31.4 -26.1 23.6 -5.4 68 76 A K H <<5S+ 0 0 42 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.719 114.9 38.0 -72.5 -20.4 -29.7 24.8 -5.6 69 77 A R H <<5S+ 0 0 78 -3,-1.1 -2,-0.2 -4,-0.8 -1,-0.2 0.708 124.4 37.7-100.6 -27.5 -28.8 26.9 -8.6 70 78 A V H <5S+ 0 0 45 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.905 141.3 5.4 -89.8 -51.5 -26.3 24.5 -10.3 71 79 A F T <5S- 0 0 71 -4,-1.9 -3,-0.2 -5,-0.3 -4,-0.1 0.679 89.6-129.2-104.8 -26.9 -27.9 21.1 -9.7 72 80 A G < + 0 0 53 -5,-2.8 2,-0.5 1,-0.3 -4,-0.3 0.592 69.0 123.1 85.7 11.7 -31.1 22.3 -8.1 73 81 A M - 0 0 117 -6,-1.2 2,-0.4 3,-0.0 -1,-0.3 -0.931 54.6-143.3-112.2 122.0 -30.6 19.9 -5.2 74 82 A R - 0 0 108 -2,-0.5 2,-0.6 -6,-0.1 -10,-0.1 -0.666 25.0-114.3 -84.0 134.3 -30.5 21.2 -1.6 75 83 A H - 0 0 0 -2,-0.4 5,-0.1 -11,-0.1 -1,-0.1 -0.575 36.4-126.3 -70.4 115.7 -28.0 19.5 0.7 76 84 A F > - 0 0 76 -2,-0.6 4,-1.7 1,-0.1 3,-0.4 -0.154 16.2-114.0 -61.0 156.2 -30.1 17.7 3.4 77 85 A D H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.860 118.4 55.7 -60.1 -37.1 -29.4 18.4 7.1 78 86 A V H > S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.846 106.9 50.4 -65.1 -32.3 -28.3 14.8 7.5 79 87 A Q H > S+ 0 0 2 -3,-0.4 4,-3.1 2,-0.2 5,-0.2 0.837 104.4 57.8 -73.8 -33.5 -25.7 15.4 4.8 80 88 A L H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.887 105.6 51.2 -62.6 -39.0 -24.5 18.6 6.5 81 89 A L H X S+ 0 0 10 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.961 114.2 41.7 -62.2 -53.1 -23.7 16.5 9.5 82 90 A G H X S+ 0 0 1 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.920 114.8 50.5 -61.8 -46.0 -21.7 14.0 7.6 83 91 A G H < S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 110.1 51.4 -62.2 -32.5 -20.0 16.5 5.5 84 92 A M H >< S+ 0 0 3 -4,-1.9 3,-1.3 -5,-0.2 4,-0.3 0.878 108.4 50.3 -71.9 -38.9 -19.1 18.5 8.6 85 93 A V H >< S+ 0 0 7 -4,-2.0 3,-1.8 1,-0.3 5,-0.5 0.834 99.3 66.8 -67.6 -31.0 -17.6 15.4 10.3 86 94 A L T 3< S+ 0 0 1 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.500 86.7 71.0 -69.2 -3.7 -15.5 14.8 7.1 87 95 A N T < S+ 0 0 2 -3,-1.3 -1,-0.3 2,-0.1 -2,-0.2 0.701 98.6 55.4 -83.3 -20.9 -13.6 18.0 7.9 88 96 A E S < S- 0 0 26 -3,-1.8 2,-0.4 -4,-0.3 -3,-0.0 -0.060 108.9 -86.6 -93.4-162.9 -12.0 16.2 10.8 89 97 A R S S+ 0 0 81 289,-0.1 311,-1.1 291,-0.1 2,-0.3 -0.479 88.4 109.9-107.4 58.6 -10.0 13.0 10.9 90 98 A C E -a 400 0A 4 -5,-0.5 291,-1.1 -2,-0.4 2,-0.5 -0.853 65.4-120.7-130.6 164.5 -13.0 10.7 11.2 91 99 A I E -ab 401 381A 0 309,-3.3 311,-3.3 -2,-0.3 2,-0.5 -0.930 23.6-153.7-109.9 127.4 -14.9 8.1 9.2 92 100 A A E -ab 402 382A 3 289,-2.1 291,-2.6 -2,-0.5 2,-0.5 -0.882 10.2-136.7-106.8 127.9 -18.6 8.7 8.5 93 101 A E E -ab 403 383A 31 309,-2.5 311,-1.5 -2,-0.5 2,-0.5 -0.692 22.2-167.8 -82.1 124.5 -21.0 5.8 7.9 94 102 A M - 0 0 13 289,-3.1 291,-0.4 -2,-0.5 312,-0.1 -0.965 15.3-132.2-120.0 124.3 -23.3 6.6 5.0 95 103 A R > - 0 0 9 -2,-0.5 3,-1.7 309,-0.3 2,-0.7 -0.331 39.5 -88.4 -70.2 152.3 -26.4 4.5 4.2 96 104 A T T 3 S+ 0 0 33 469,-0.3 474,-1.4 1,-0.2 475,-0.3 -0.488 115.6 21.5 -66.1 106.1 -27.0 3.3 0.7 97 105 A G T 3 S+ 0 0 25 -2,-0.7 -1,-0.2 472,-0.2 472,-0.1 0.138 86.7 107.0 124.7 -19.0 -29.1 6.1 -0.9 98 106 A E S < S- 0 0 5 -3,-1.7 -2,-0.1 1,-0.1 -19,-0.1 0.882 91.8-101.2 -58.8 -41.5 -28.3 9.1 1.3 99 107 A G - 0 0 27 -4,-0.4 5,-0.1 2,-0.0 -1,-0.1 0.644 35.4-168.0 115.5 85.9 -26.1 10.7 -1.4 100 108 A K S >> S+ 0 0 56 1,-0.2 4,-3.0 2,-0.2 3,-1.7 0.934 92.5 48.7 -65.4 -47.8 -22.3 10.4 -1.2 101 109 A T H 3> S+ 0 0 36 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.816 109.2 54.4 -63.5 -29.3 -21.7 13.0 -3.9 102 110 A L H 34 S+ 0 0 31 1,-0.1 -1,-0.3 2,-0.1 -2,-0.2 0.365 116.9 37.7 -87.4 6.9 -24.1 15.4 -2.2 103 111 A T H X4 S+ 0 0 1 -3,-1.7 3,-1.5 -21,-0.1 -2,-0.2 0.677 108.5 56.2-120.8 -43.1 -22.2 15.1 1.0 104 112 A A H 3X S+ 0 0 15 -4,-3.0 4,-1.2 1,-0.3 -3,-0.1 0.661 95.0 71.9 -67.7 -15.6 -18.5 14.9 0.0 105 113 A T H 3X S+ 0 0 3 -4,-0.6 4,-1.5 -5,-0.3 -1,-0.3 0.737 91.8 58.3 -72.6 -21.8 -18.9 18.2 -1.8 106 114 A L H <> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.976 108.2 39.0 -74.4 -57.6 -19.2 20.1 1.6 107 115 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.807 114.0 59.0 -63.6 -28.2 -15.8 19.1 3.2 108 116 A A H X S+ 0 0 1 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.952 107.4 43.2 -65.0 -50.3 -14.1 19.5 -0.2 109 117 A Y H X S+ 0 0 0 -4,-1.5 4,-1.1 2,-0.2 -1,-0.2 0.913 114.9 51.2 -61.9 -44.4 -15.1 23.1 -0.6 110 118 A L H >< S+ 0 0 0 -4,-2.0 3,-0.8 1,-0.2 4,-0.3 0.954 115.6 38.5 -59.5 -54.3 -14.2 23.9 3.0 111 119 A N H >< S+ 0 0 2 -4,-2.5 3,-1.1 1,-0.2 5,-0.5 0.753 107.8 66.4 -71.0 -22.8 -10.7 22.5 2.9 112 120 A A H >< S+ 0 0 0 -4,-1.8 3,-1.9 1,-0.2 -1,-0.2 0.804 85.9 71.3 -67.4 -27.7 -10.3 23.8 -0.6 113 121 A L T << S+ 0 0 2 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.755 87.2 64.6 -60.2 -25.2 -10.4 27.3 0.7 114 122 A T T < S- 0 0 28 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.716 99.8-138.3 -71.7 -20.5 -7.0 26.7 2.3 115 123 A G S < S+ 0 0 20 -3,-1.9 -3,-0.1 -4,-0.3 -2,-0.1 0.538 73.6 114.7 74.5 6.4 -5.5 26.4 -1.2 116 124 A K S S- 0 0 75 -5,-0.5 78,-0.4 1,-0.1 80,-0.2 0.746 85.6-100.7 -79.2 -24.2 -3.4 23.4 -0.0 117 125 A G - 0 0 2 -6,-0.3 80,-0.7 48,-0.2 2,-0.7 0.438 20.5-119.9 106.0 117.0 -5.3 21.0 -2.3 118 126 A V E -cd 166 197A 0 47,-3.1 49,-3.5 78,-0.1 2,-1.0 -0.780 24.2-152.5 -87.8 115.1 -8.1 18.6 -1.5 119 127 A H E -cd 167 198A 1 78,-2.2 80,-2.7 -2,-0.7 2,-0.6 -0.776 10.6-166.3 -94.0 101.4 -7.0 15.1 -2.4 120 128 A V E -cd 168 199A 12 47,-3.2 49,-2.0 -2,-1.0 2,-0.6 -0.780 5.7-154.3 -89.9 122.7 -10.1 13.0 -3.3 121 129 A V E -cd 169 200A 0 78,-2.7 80,-3.0 -2,-0.6 81,-0.3 -0.869 13.2-172.5-101.8 120.0 -9.4 9.3 -3.4 122 130 A T E -c 170 0A 7 47,-2.7 49,-1.1 -2,-0.6 3,-0.1 -0.752 31.0-128.0-110.1 158.0 -11.7 7.2 -5.6 123 131 A V S S+ 0 0 42 -2,-0.3 2,-0.3 47,-0.2 49,-0.1 0.807 90.5 6.3 -72.3 -31.1 -12.0 3.4 -6.0 124 132 A N S > S- 0 0 60 45,-0.1 4,-1.5 1,-0.1 -1,-0.1 -0.908 74.2-107.8-145.8 172.0 -11.7 3.6 -9.8 125 133 A D H > S+ 0 0 94 -2,-0.3 4,-2.7 2,-0.2 5,-0.3 0.772 111.1 66.0 -74.0 -26.8 -11.0 6.1 -12.7 126 134 A Y H > S+ 0 0 152 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.975 109.2 34.1 -58.7 -58.7 -14.7 5.9 -13.7 127 135 A L H > S+ 0 0 28 2,-0.2 4,-2.8 1,-0.2 5,-0.4 0.862 115.3 60.1 -66.3 -35.6 -16.0 7.6 -10.6 128 136 A A H X S+ 0 0 0 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.939 114.4 33.7 -57.6 -50.1 -12.9 9.8 -10.3 129 137 A Q H X S+ 0 0 67 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.753 116.9 59.3 -77.6 -25.3 -13.5 11.4 -13.7 130 138 A R H X S+ 0 0 103 -4,-1.9 4,-2.1 -5,-0.3 -2,-0.2 0.988 112.8 33.7 -66.2 -60.3 -17.3 11.2 -13.2 131 139 A D H X S+ 0 0 18 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.806 113.7 63.3 -67.6 -29.6 -17.5 13.3 -10.1 132 140 A A H < S+ 0 0 0 -4,-1.3 4,-0.4 -5,-0.4 -1,-0.2 0.946 113.7 31.4 -60.5 -49.8 -14.7 15.5 -11.2 133 141 A E H < S+ 0 0 76 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.791 120.4 54.5 -79.4 -27.9 -16.5 16.7 -14.3 134 142 A N H < S+ 0 0 72 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.922 115.5 36.2 -71.5 -45.4 -19.9 16.5 -12.5 135 143 A N S >X S+ 0 0 4 -4,-3.1 4,-2.3 1,-0.2 3,-1.1 0.492 97.3 89.3 -86.7 -3.3 -18.9 18.6 -9.5 136 144 A R H 3> S+ 0 0 53 -4,-0.4 4,-2.7 1,-0.2 5,-0.4 0.940 82.1 53.2 -59.8 -50.1 -16.8 20.9 -11.7 137 145 A P H 34 S+ 0 0 71 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.554 113.2 49.0 -64.6 -5.2 -19.6 23.4 -12.6 138 146 A L H <> S+ 0 0 3 -3,-1.1 4,-0.7 3,-0.1 -2,-0.2 0.867 116.4 34.8 -96.7 -54.7 -20.1 23.7 -8.9 139 147 A F H >X>S+ 0 0 2 -4,-2.3 5,-1.8 1,-0.2 3,-1.0 0.923 120.9 48.3 -67.8 -44.3 -16.6 24.3 -7.5 140 148 A E H 3<5S+ 0 0 89 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.1 0.689 102.2 66.1 -70.7 -16.7 -15.5 26.3 -10.6 141 149 A F H 345S+ 0 0 45 -5,-0.4 -1,-0.3 1,-0.2 -2,-0.2 0.790 105.5 42.5 -73.0 -27.4 -18.8 28.3 -10.2 142 150 A L H <<5S- 0 0 4 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.502 129.3 -96.4 -95.6 -8.0 -17.5 29.6 -6.9 143 151 A G T <5S+ 0 0 45 -4,-0.5 -3,-0.2 1,-0.4 -4,-0.1 0.203 82.4 129.9 113.0 -14.8 -14.0 30.2 -8.3 144 152 A L < - 0 0 0 -5,-1.8 2,-0.4 -6,-0.2 -1,-0.4 -0.302 54.1-124.8 -71.4 156.3 -12.3 27.0 -7.1 145 153 A T - 0 0 56 -33,-0.1 21,-2.4 -3,-0.1 20,-0.5 -0.870 14.2-152.6-107.5 136.4 -10.3 24.8 -9.5 146 154 A V E -e 166 0A 10 -2,-0.4 2,-0.4 19,-0.2 21,-0.2 -0.932 13.7-172.6-110.3 122.4 -11.0 21.1 -10.1 147 155 A G E -e 167 0A 6 19,-3.6 21,-3.0 -2,-0.5 2,-0.5 -0.926 10.0-152.6-117.3 139.3 -8.2 18.9 -11.2 148 156 A I E -e 168 0A 24 -2,-0.4 2,-0.6 19,-0.2 21,-0.2 -0.931 3.6-163.6-112.9 130.4 -8.3 15.3 -12.4 149 157 A N E -e 169 0A 0 19,-3.5 21,-0.6 -2,-0.5 24,-0.1 -0.925 11.4-174.8-115.6 107.3 -5.4 12.9 -12.0 150 158 A L > - 0 0 53 -2,-0.6 3,-2.4 19,-0.1 2,-0.3 -0.782 38.1 -93.9-102.4 145.4 -5.7 9.8 -14.1 151 159 A P T 3 S+ 0 0 76 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 -0.389 115.2 20.3 -59.0 113.9 -3.2 6.8 -14.0 152 160 A G T 3 S+ 0 0 70 -2,-0.3 -3,-0.0 1,-0.3 0, 0.0 0.411 86.4 150.7 105.8 0.4 -0.6 7.4 -16.6 153 161 A M < - 0 0 43 -3,-2.4 -1,-0.3 1,-0.1 -4,-0.0 -0.397 52.1-103.6 -66.2 137.9 -1.3 11.2 -17.0 154 162 A P > - 0 0 85 0, 0.0 4,-2.3 0, 0.0 5,-0.2 -0.256 27.3-112.4 -61.0 152.4 1.8 13.2 -18.1 155 163 A A H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.885 114.1 56.2 -53.4 -47.4 3.7 15.2 -15.5 156 164 A P H > S+ 0 0 86 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.932 112.2 41.8 -52.3 -49.4 2.6 18.7 -17.0 157 165 A A H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.874 112.0 55.9 -66.6 -38.1 -1.1 17.8 -16.7 158 166 A K H X S+ 0 0 5 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.920 103.9 53.6 -59.9 -45.1 -0.6 16.3 -13.3 159 167 A R H X S+ 0 0 97 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.851 108.2 50.5 -59.6 -35.3 1.0 19.5 -12.0 160 168 A E H < S+ 0 0 152 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.889 114.3 43.6 -70.1 -39.0 -2.1 21.4 -13.2 161 169 A A H >< S+ 0 0 6 -4,-1.9 3,-0.8 1,-0.2 -14,-0.3 0.864 115.4 47.6 -73.6 -38.4 -4.4 19.0 -11.5 162 170 A Y H 3< S+ 0 0 0 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.748 107.6 56.4 -74.9 -25.2 -2.4 18.9 -8.3 163 171 A A T 3< S+ 0 0 60 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.455 92.5 98.9 -84.3 -1.8 -2.1 22.7 -8.2 164 172 A A S < S- 0 0 5 -3,-0.8 3,-0.1 -4,-0.1 -18,-0.1 -0.299 86.8-115.2 -79.9 168.3 -5.9 22.9 -8.2 165 173 A D S S+ 0 0 12 -20,-0.5 -47,-3.1 1,-0.2 2,-0.4 0.887 104.2 28.5 -71.0 -40.6 -8.1 23.4 -5.2 166 174 A I E S-ce 118 146A 0 -21,-2.4 -19,-3.6 -49,-0.2 2,-0.5 -0.988 71.4-166.3-127.0 127.2 -9.6 20.0 -5.5 167 175 A T E -ce 119 147A 0 -49,-3.5 -47,-3.2 -2,-0.4 2,-0.5 -0.955 3.7-160.1-117.3 125.4 -7.9 17.0 -7.1 168 176 A Y E +ce 120 148A 11 -21,-3.0 -19,-3.5 -2,-0.5 2,-0.3 -0.885 32.1 131.1-103.3 129.6 -9.8 13.8 -8.0 169 177 A G E -ce 121 149A 0 -49,-2.0 -47,-2.7 -2,-0.5 2,-0.2 -0.987 51.7 -90.1-166.0 172.2 -7.8 10.6 -8.5 170 178 A T E > -c 122 0A 13 -21,-0.6 4,-2.3 -2,-0.3 -47,-0.2 -0.639 31.3-124.2 -93.0 151.8 -7.3 6.9 -7.7 171 179 A N H > S+ 0 0 8 -49,-1.1 4,-1.8 -2,-0.2 5,-0.2 0.853 108.9 59.1 -61.6 -36.4 -5.4 5.6 -4.7 172 180 A N H > S+ 0 0 71 1,-0.2 4,-1.7 2,-0.2 3,-0.3 0.959 112.5 36.3 -58.3 -54.9 -3.1 3.5 -7.0 173 181 A E H > S+ 0 0 6 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.861 110.5 64.4 -67.7 -35.7 -1.8 6.5 -9.0 174 182 A Y H X S+ 0 0 0 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.869 107.2 42.0 -55.0 -41.0 -1.8 8.6 -5.8 175 183 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 -3,-0.3 -1,-0.2 0.897 113.6 50.8 -74.7 -41.0 0.8 6.4 -4.3 176 184 A F H X S+ 0 0 43 -4,-1.7 4,-2.7 1,-0.2 5,-0.2 0.883 107.8 54.0 -63.9 -39.3 2.9 6.1 -7.5 177 185 A D H X S+ 0 0 0 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.909 107.4 50.9 -60.9 -42.0 2.9 9.9 -7.9 178 186 A Y H X S+ 0 0 28 -4,-1.3 4,-2.3 -5,-0.2 -1,-0.2 0.882 111.0 48.9 -62.7 -39.6 4.3 10.2 -4.4 179 187 A L H X S+ 0 0 3 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.926 112.5 46.4 -66.9 -46.0 7.0 7.7 -5.2 180 188 A R H < S+ 0 0 102 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.878 113.2 51.0 -63.8 -38.5 8.0 9.4 -8.5 181 189 A D H >< S+ 0 0 9 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.926 112.6 44.3 -64.5 -46.4 7.9 12.8 -6.7 182 190 A N H 3< S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.715 110.3 56.6 -73.2 -21.0 10.2 11.6 -3.9 183 191 A M T 3< S+ 0 0 46 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.016 84.7 119.8 -99.9 26.6 12.5 9.9 -6.4 184 192 A A < - 0 0 5 -3,-1.1 -3,-0.1 1,-0.1 6,-0.0 -0.482 55.5-151.6 -87.9 161.5 13.1 13.1 -8.3 185 193 A F S S+ 0 0 74 1,-0.2 -1,-0.1 -2,-0.1 575,-0.1 0.697 83.4 41.9-102.6 -29.1 16.6 14.7 -8.9 186 194 A S S > S- 0 0 33 1,-0.1 3,-1.9 571,-0.0 4,-0.3 -0.953 76.5-132.4-121.1 140.6 15.4 18.2 -9.2 187 195 A P G > S+ 0 0 41 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.773 108.2 62.3 -60.0 -26.3 12.7 20.0 -7.1 188 196 A E G 3 S+ 0 0 141 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.603 90.1 68.6 -75.6 -11.1 11.1 21.3 -10.3 189 197 A E G < S+ 0 0 87 -3,-1.9 -1,-0.2 -8,-0.1 -34,-0.0 0.637 78.0 117.9 -80.8 -13.8 10.5 17.6 -11.4 190 198 A R < - 0 0 57 -3,-1.1 -31,-0.1 -4,-0.3 -9,-0.1 -0.012 39.6-179.9 -53.5 155.2 7.9 17.3 -8.6 191 199 A V + 0 0 12 -14,-0.2 -29,-0.2 -33,-0.1 -1,-0.1 0.471 60.2 73.7-130.9 -20.8 4.2 16.6 -9.4 192 200 A Q - 0 0 22 -15,-0.2 3,-0.0 1,-0.1 -30,-0.0 -0.231 53.1-169.6 -89.3-179.1 2.7 16.6 -5.9 193 201 A R - 0 0 110 1,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.423 54.5 -26.8-133.4 -79.9 2.0 19.5 -3.5 194 202 A K - 0 0 119 -78,-0.4 2,-1.2 3,-0.1 3,-0.3 -0.993 38.9-133.9-151.9 142.3 1.1 18.8 0.1 195 203 A L + 0 0 36 -2,-0.3 182,-1.8 1,-0.2 3,-0.1 -0.444 61.9 128.0 -93.0 60.4 -0.6 16.0 2.0 196 204 A H S S+ 0 0 43 -2,-1.2 182,-3.1 -79,-0.3 2,-0.4 0.959 71.1 11.0 -81.0 -56.7 -2.9 18.3 4.0 197 205 A Y E -df 118 378A 3 -80,-0.7 -78,-2.2 -3,-0.3 2,-0.4 -0.987 59.2-177.0-132.7 137.4 -6.4 16.8 3.4 198 206 A A E -df 119 379A 0 180,-2.6 182,-2.6 -2,-0.4 2,-0.5 -0.998 3.9-170.7-134.0 129.4 -7.5 13.5 1.9 199 207 A L E -df 120 380A 2 -80,-2.7 -78,-2.7 -2,-0.4 2,-0.4 -0.943 8.3-163.7-124.1 108.5 -11.0 12.3 1.3 200 208 A V E -df 121 381A 0 180,-1.9 182,-1.9 -2,-0.5 3,-0.3 -0.789 13.4-149.3 -96.8 132.1 -11.6 8.7 0.2 201 209 A D S S+ 0 0 20 -80,-3.0 2,-0.5 -2,-0.4 181,-0.2 0.944 88.3 23.0 -61.0 -53.8 -14.9 7.7 -1.3 202 210 A E > + 0 0 38 -81,-0.3 4,-1.3 1,-0.1 3,-0.3 -0.930 55.7 170.7-124.0 108.3 -14.9 4.1 0.0 203 211 A V H >>S+ 0 0 0 179,-2.1 5,-1.4 -2,-0.5 4,-1.2 0.709 71.3 80.2 -84.5 -21.1 -12.8 3.3 3.1 204 212 A D H 4>S+ 0 0 12 178,-0.4 5,-0.5 3,-0.2 -1,-0.2 0.813 114.6 13.9 -53.8 -34.6 -14.3 -0.2 3.3 205 213 A S H >>S+ 0 0 26 -3,-0.3 5,-3.0 3,-0.2 4,-0.5 0.819 129.6 47.4-107.2 -57.2 -12.0 -1.3 0.5 206 214 A I H <5S+ 0 0 4 -4,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.842 125.1 31.1 -58.7 -37.9 -9.2 1.3 0.1 207 215 A L T <5S+ 0 0 0 -4,-1.2 -1,-0.2 -5,-0.3 -3,-0.2 0.781 131.5 31.8 -94.2 -28.8 -8.5 1.6 3.8 208 216 A I T >4< + 0 0 9 132,-0.9 3,-1.5 133,-0.3 4,-0.3 -0.423 27.1 157.8 -82.1 65.6 24.5 -7.0 -15.0 226 234 A E G >> + 0 0 54 -2,-2.1 3,-0.8 1,-0.3 4,-0.7 0.553 53.3 90.9 -67.1 -5.9 27.5 -9.2 -15.7 227 235 A M G >4 S+ 0 0 39 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.827 78.4 59.9 -59.5 -32.1 28.6 -8.4 -12.1 228 236 A Y G X> S+ 0 0 8 -3,-1.5 4,-1.7 1,-0.2 3,-1.0 0.835 96.0 60.4 -67.1 -33.0 26.7 -11.4 -10.9 229 237 A K H <> S+ 0 0 31 -3,-0.8 4,-0.6 -4,-0.3 -1,-0.2 0.734 98.0 59.5 -68.0 -21.1 28.9 -13.7 -13.1 230 238 A R H << S+ 0 0 93 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.708 104.7 50.7 -79.6 -18.9 31.9 -12.5 -11.1 231 239 A V H X4 S+ 0 0 16 -3,-1.0 3,-1.5 -4,-0.5 4,-0.3 0.919 109.6 46.2 -82.2 -48.0 30.3 -13.8 -7.9 232 240 A N H >< S+ 0 0 15 -4,-1.7 3,-1.2 1,-0.3 -2,-0.2 0.659 95.0 82.1 -69.1 -13.4 29.5 -17.3 -9.2 233 241 A K T 3< S+ 0 0 119 -4,-0.6 -1,-0.3 1,-0.3 -2,-0.2 0.681 85.2 57.2 -66.4 -17.4 33.0 -17.4 -10.6 234 242 A I T X S+ 0 0 33 -3,-1.5 3,-0.9 1,-0.2 -1,-0.3 0.676 91.6 71.8 -87.9 -16.4 34.4 -18.3 -7.1 235 243 A I G X S+ 0 0 6 -3,-1.2 3,-2.8 -4,-0.3 -2,-0.2 0.912 85.5 61.8 -67.1 -45.6 32.2 -21.5 -6.9 236 244 A P G 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