==== 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 PROTEIN TRANSPORT 16-JUL-02 1M74 . COMPND 2 MOLECULE: PREPROTEIN TRANSLOCASE SECA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.F.HUNT,S.WEINKAUF,L.HENRY,J.J.FAK,P.MCNICHOLAS,D.B.OLIVER, . 802 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37743.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 611 76.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 6.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 3.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 54 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 105 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 340 42.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 21 2.6 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 1 3 0 1 3 4 2 1 0 2 0 0 2 2 0 2 1 0 0 1 0 0 0 0 0 1 2 RESIDUES PER ALPHA HELIX . 0 1 6 3 2 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 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 0 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 1 A M 0 0 121 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-165.2 34.2 74.7 26.8 2 2 A L + 0 0 166 0, 0.0 3,-0.2 0, 0.0 4,-0.0 -0.942 360.0 11.5-134.4 155.6 33.6 73.9 23.1 3 3 A G S > S- 0 0 59 -2,-0.3 3,-2.1 1,-0.2 0, 0.0 0.064 113.5 -31.6 65.7 176.1 32.6 70.7 21.5 4 4 A I G > S+ 0 0 143 1,-0.3 3,-0.8 2,-0.1 -1,-0.2 0.772 121.2 73.5 -26.5 -63.4 31.2 67.6 23.1 5 5 A L G > S+ 0 0 103 1,-0.3 3,-1.2 -3,-0.2 4,-0.3 0.546 71.9 91.8 -38.6 -15.1 33.1 67.8 26.4 6 6 A N G < + 0 0 38 -3,-2.1 -1,-0.3 1,-0.2 -2,-0.1 0.364 64.9 78.9 -71.3 10.0 30.9 70.7 27.6 7 7 A K G < S+ 0 0 139 -3,-0.8 -1,-0.2 2,-0.2 -2,-0.1 0.504 78.3 66.5 -94.8 -7.3 28.3 68.4 29.4 8 8 A M S < S+ 0 0 129 -3,-1.2 4,-0.3 1,-0.2 -1,-0.2 0.790 98.4 58.5 -76.0 -27.5 30.4 67.9 32.5 9 9 A F S >> S+ 0 0 66 -4,-0.3 4,-2.9 1,-0.2 3,-0.8 0.637 83.3 90.1 -74.2 -16.2 29.7 71.7 32.9 10 10 A D H 3> S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.852 79.0 52.7 -53.4 -48.3 25.9 71.0 32.9 11 11 A P H 3> S+ 0 0 63 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.799 117.7 41.3 -63.0 -24.2 25.3 70.5 36.6 12 12 A T H <> S+ 0 0 17 -3,-0.8 4,-3.2 -4,-0.3 5,-0.2 0.921 112.1 53.6 -83.6 -50.4 27.1 73.8 37.3 13 13 A K H X S+ 0 0 87 -4,-2.9 4,-1.7 1,-0.2 -3,-0.2 0.892 106.8 52.2 -50.8 -48.7 25.5 75.7 34.3 14 14 A R H X S+ 0 0 171 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.894 115.5 40.0 -57.0 -45.5 21.9 74.9 35.4 15 15 A T H >X S+ 0 0 23 -4,-0.7 4,-2.0 -5,-0.3 3,-1.1 0.961 109.3 59.8 -70.1 -49.5 22.5 76.2 38.9 16 16 A L H 3X S+ 0 0 29 -4,-3.2 4,-1.1 1,-0.3 -1,-0.2 0.790 104.0 53.0 -48.5 -33.0 24.5 79.2 37.8 17 17 A N H 3X S+ 0 0 76 -4,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.835 103.0 53.8 -75.2 -36.5 21.6 80.4 35.8 18 18 A R H X S+ 0 0 133 -4,-2.4 4,-1.8 1,-0.2 3,-1.1 0.957 113.0 49.7 -54.8 -53.6 18.2 85.4 37.2 22 22 A I H 3X S+ 0 0 45 -4,-2.5 4,-2.2 1,-0.3 -1,-0.2 0.876 103.6 57.2 -52.1 -49.6 17.8 85.9 40.9 23 23 A A H 3X S+ 0 0 1 -4,-1.7 4,-1.8 1,-0.3 -1,-0.3 0.800 110.2 48.9 -54.2 -28.7 20.6 88.4 41.2 24 24 A N H < S+ 0 0 2 -4,-2.2 3,-0.6 1,-0.2 -2,-0.2 0.936 106.7 50.1 -68.8 -52.1 17.3 91.7 43.3 27 27 A D H >< S+ 0 0 20 -4,-1.8 3,-1.2 1,-0.2 4,-0.2 0.751 102.3 66.6 -60.6 -22.3 18.7 94.5 41.2 28 28 A A H >< S+ 0 0 74 -4,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.925 102.9 43.2 -63.1 -45.9 15.1 95.1 40.0 29 29 A I T S+ 0 0 142 -3,-1.2 4,-1.6 1,-0.2 3,-1.0 0.904 78.1 57.4 -59.4 -32.1 17.1 98.3 44.0 31 31 A G H <> S+ 0 0 32 -3,-0.7 4,-1.0 -4,-0.2 -1,-0.2 0.890 89.4 70.8 -64.7 -40.3 14.5 101.1 44.0 32 32 A D H 34 S+ 0 0 101 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.648 119.2 16.5 -52.8 -23.2 12.4 99.6 46.9 33 33 A Y H << S+ 0 0 14 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.2 0.501 101.7 95.1-125.1 -16.4 15.1 100.4 49.5 34 34 A E H < S+ 0 0 78 -4,-1.6 2,-0.6 -5,-0.2 -2,-0.1 0.913 97.3 29.1 -40.9 -61.1 17.2 102.9 47.5 35 35 A N S < S+ 0 0 135 -4,-1.0 2,-0.3 2,-0.0 -1,-0.2 -0.929 94.5 108.5-110.2 116.7 15.3 105.8 49.0 36 36 A L - 0 0 69 -2,-0.6 2,-0.4 0, 0.0 -3,-0.1 -0.903 68.6 -82.0-166.9-175.0 14.1 104.9 52.5 37 37 A S > - 0 0 60 -2,-0.3 4,-2.5 1,-0.1 3,-0.5 -0.852 30.0-121.1-110.4 148.6 15.1 105.9 56.0 38 38 A D H > S+ 0 0 86 -2,-0.4 4,-1.7 1,-0.3 3,-0.2 0.942 117.1 41.8 -48.8 -48.8 17.9 104.5 58.0 39 39 A D H > S+ 0 0 115 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.741 109.0 57.5 -77.2 -17.4 15.4 103.4 60.7 40 40 A A H 4 S+ 0 0 32 -3,-0.5 4,-0.4 2,-0.2 -1,-0.2 0.912 107.2 50.1 -73.0 -42.6 12.8 102.2 58.2 41 41 A L H >X S+ 0 0 0 -4,-2.5 3,-1.7 -3,-0.2 4,-0.8 0.896 106.4 54.5 -60.8 -46.1 15.4 99.8 56.7 42 42 A K H >X S+ 0 0 75 -4,-1.7 4,-0.9 1,-0.3 3,-0.9 0.921 100.8 60.8 -57.6 -39.4 16.3 98.5 60.2 43 43 A H H 3X S+ 0 0 88 -4,-1.6 4,-2.7 1,-0.2 -1,-0.3 0.737 89.8 72.9 -62.7 -14.7 12.6 97.7 60.6 44 44 A K H <> S+ 0 0 40 -3,-1.7 4,-3.0 -4,-0.4 5,-0.3 0.956 89.0 57.1 -63.6 -44.8 13.0 95.4 57.7 45 45 A T H S+ 0 0 100 -4,-3.4 5,-1.5 1,-0.3 4,-0.6 0.775 110.1 50.1 -45.0 -35.1 7.2 87.1 58.4 52 52 A L H ><5S+ 0 0 18 -4,-2.7 3,-1.4 2,-0.2 -1,-0.3 0.939 104.6 53.5 -72.4 -50.3 9.3 84.1 59.3 53 53 A E H 3<5S+ 0 0 147 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.901 104.8 60.3 -49.9 -42.2 7.5 83.2 62.6 54 54 A K H 3<5S- 0 0 177 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.789 132.2 -86.1 -58.5 -32.6 4.4 83.2 60.5 55 55 A G T <<5S+ 0 0 60 -3,-1.4 -3,-0.2 -4,-0.6 -2,-0.2 0.495 78.9 133.6 139.0 3.5 5.7 80.5 58.2 56 56 A A < - 0 0 30 -5,-1.5 2,-0.3 -8,-0.1 -1,-0.2 -0.279 47.7-120.1 -77.8 171.7 7.8 81.8 55.4 57 57 A T >> - 0 0 60 1,-0.1 4,-2.3 -2,-0.0 3,-0.6 -0.821 18.0-117.9-113.4 153.6 11.2 80.3 54.3 58 58 A T H 3> S+ 0 0 30 -2,-0.3 4,-0.6 1,-0.3 7,-0.2 0.910 119.9 56.6 -52.8 -38.0 14.6 81.8 54.2 59 59 A D H >4 S+ 0 0 92 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.898 105.2 50.1 -62.1 -38.4 14.4 81.1 50.5 60 60 A D H <4 S+ 0 0 94 -3,-0.6 3,-0.4 1,-0.2 4,-0.3 0.899 114.8 42.2 -67.0 -40.8 11.2 83.1 50.2 61 61 A L H 3X S+ 0 0 1 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.423 89.7 101.4 -89.6 8.7 12.6 86.1 51.9 62 62 A L H S+ 0 0 37 -4,-0.4 4,-2.9 -3,-0.4 5,-0.2 0.987 119.7 40.3 -58.6 -57.7 15.6 88.5 47.4 64 64 A E H > S+ 0 0 56 -4,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.870 114.0 54.1 -57.5 -44.8 14.3 91.1 49.7 65 65 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.936 112.3 44.5 -56.7 -42.9 16.7 90.1 52.4 66 66 A F H X S+ 0 0 0 -4,-3.1 4,-3.6 1,-0.2 -2,-0.2 0.921 111.4 52.9 -68.4 -40.6 19.6 90.5 50.0 67 67 A A H X S+ 0 0 6 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.897 110.4 48.8 -58.3 -46.2 18.2 93.8 48.7 68 68 A V H X S+ 0 0 0 -4,-2.8 4,-3.1 2,-0.2 -1,-0.2 0.939 113.8 45.2 -60.3 -49.3 18.1 95.0 52.3 69 69 A V H X S+ 0 0 2 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.922 110.4 54.9 -62.2 -41.5 21.6 93.9 53.0 70 70 A R H X S+ 0 0 11 -4,-3.6 4,-1.5 2,-0.2 -1,-0.2 0.896 112.8 42.2 -59.4 -41.6 22.7 95.4 49.7 71 71 A E H X S+ 0 0 5 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.973 109.4 58.8 -68.0 -52.0 21.3 98.8 50.7 72 72 A A H X S+ 0 0 0 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.753 105.6 50.7 -46.9 -34.6 22.6 98.5 54.2 73 73 A S H X>S+ 0 0 1 -4,-1.9 4,-4.2 2,-0.2 5,-1.7 0.984 107.1 48.6 -74.2 -55.2 26.1 98.1 53.0 74 74 A R H X5S+ 0 0 83 -4,-1.5 4,-1.0 4,-0.3 -2,-0.2 0.945 115.0 49.2 -49.5 -48.1 26.3 101.1 50.7 75 75 A R H <5S+ 0 0 64 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.964 124.2 28.7 -53.4 -58.1 24.8 103.1 53.5 76 76 A V H <5S+ 0 0 54 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.853 142.3 12.9 -71.1 -49.4 27.4 101.7 56.0 77 77 A T H <5S- 0 0 58 -4,-4.2 -3,-0.2 2,-0.2 -1,-0.2 0.567 94.2-121.8-103.0 -24.8 30.5 101.0 53.9 78 78 A G S < - 0 0 76 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.295 22.1-109.9 -79.1 162.9 28.0 93.4 42.6 83 83 A K H > S+ 0 0 124 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.886 123.1 52.5 -59.5 -35.9 25.6 91.1 40.7 84 84 A V H > S+ 0 0 8 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.898 104.9 52.2 -66.4 -45.0 28.4 88.5 41.1 85 85 A Q H > S+ 0 0 11 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.860 107.8 53.9 -61.2 -32.8 28.6 88.9 44.8 86 86 A L H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.942 106.8 50.9 -66.0 -45.8 24.8 88.4 45.0 87 87 A M H X S+ 0 0 17 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.944 110.0 51.4 -55.8 -47.8 25.3 85.1 43.0 88 88 A G H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.932 106.8 51.6 -54.3 -54.3 27.9 84.1 45.6 89 89 A G H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.925 110.4 49.9 -51.2 -44.8 25.7 84.8 48.6 90 90 A V H X S+ 0 0 3 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.928 107.2 53.0 -59.7 -49.8 23.0 82.7 47.1 91 91 A A H <>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.3 -1,-0.2 0.933 110.0 49.7 -46.5 -52.0 25.3 79.8 46.4 92 92 A L H ><5S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 -1,-0.3 0.891 108.8 52.7 -56.5 -41.8 26.3 80.0 50.0 93 93 A H H 3<5S+ 0 0 3 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.922 102.9 56.1 -63.9 -43.0 22.7 80.0 50.9 94 94 A D T 3<5S- 0 0 63 -4,-3.0 -1,-0.3 -5,-0.1 -2,-0.2 0.488 125.4-104.7 -68.9 3.5 22.1 76.9 48.9 95 95 A G T < 5S+ 0 0 11 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.773 78.8 122.5 79.0 35.2 24.8 75.3 51.1 96 96 A N < - 0 0 24 -5,-2.0 273,-1.0 291,-0.2 2,-0.5 -0.601 66.4 -90.9-120.6-179.2 27.6 75.3 48.5 97 97 A I E -ab 369 389A 0 291,-1.5 293,-2.2 271,-0.2 2,-0.9 -0.773 29.6-147.0 -96.5 129.4 31.1 76.5 47.9 98 98 A A E -ab 370 390A 0 271,-2.5 273,-2.2 -2,-0.5 2,-1.0 -0.862 7.8-163.1-103.1 102.5 31.4 79.9 46.3 99 99 A E E +ab 371 391A 33 291,-3.2 293,-3.5 -2,-0.9 2,-0.4 -0.839 24.0 163.2 -83.2 103.2 34.5 79.8 44.1 100 100 A M - 0 0 0 271,-2.6 4,-0.2 -2,-1.0 3,-0.2 -0.970 45.4-106.3-129.7 112.7 34.9 83.5 43.7 101 101 A K > - 0 0 112 -2,-0.4 3,-1.7 291,-0.4 5,-0.2 -0.029 50.5 -77.9 -43.8 138.3 38.4 84.4 42.5 102 102 A T T 3 S+ 0 0 30 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 -0.183 122.4 26.7 -42.0 112.7 40.7 86.0 45.1 103 103 A G T 3 S+ 0 0 21 -3,-0.2 -1,-0.3 425,-0.1 -2,-0.1 0.490 79.5 115.1 108.5 4.0 39.6 89.6 45.3 104 104 A E S < S- 0 0 5 -3,-1.7 -2,-0.1 -4,-0.2 -3,-0.1 0.488 94.8 -99.0 -82.4 -2.2 35.9 89.3 44.3 105 105 A G > + 0 0 26 -4,-0.1 4,-2.3 -5,-0.1 3,-0.3 0.820 55.6 170.5 89.4 37.8 34.9 90.4 47.8 106 106 A K H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 -4,-0.0 0.842 75.0 60.6 -49.0 -32.0 34.1 87.2 49.5 107 107 A T H > S+ 0 0 34 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.969 106.8 41.7 -62.3 -56.3 33.9 89.0 52.8 108 108 A L H >> S+ 0 0 9 -3,-0.3 3,-0.8 1,-0.2 4,-0.6 0.919 110.8 58.6 -59.2 -38.9 31.1 91.3 51.9 109 109 A T H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 5,-0.2 0.934 94.1 65.2 -57.8 -43.5 29.3 88.5 50.1 110 110 A S H 3X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.3 5,-0.2 0.842 89.9 69.7 -47.7 -37.8 29.2 86.4 53.4 111 111 A T H S+ 0 0 0 0, 0.0 4,-2.7 0, 0.0 5,-0.3 0.953 120.5 56.3 -63.7 -37.2 23.5 84.6 53.4 114 114 A V H X S+ 0 0 0 -4,-3.0 4,-2.1 -5,-0.2 3,-0.2 0.958 109.7 45.0 -54.4 -53.2 24.8 85.2 56.9 115 115 A Y H X S+ 0 0 0 -4,-4.1 4,-1.1 -5,-0.2 3,-0.5 0.940 113.4 49.5 -53.3 -58.1 22.2 87.9 57.5 116 116 A L H < S+ 0 0 0 -4,-2.5 3,-0.4 -5,-0.3 4,-0.3 0.844 114.0 43.7 -55.0 -37.3 19.4 85.9 56.1 117 117 A N H >< S+ 0 0 7 -4,-2.7 3,-0.7 -3,-0.2 5,-0.4 0.819 105.5 63.5 -83.2 -21.0 20.1 82.7 58.0 118 118 A A H >< S+ 0 0 0 -4,-2.1 3,-2.4 -3,-0.5 5,-0.4 0.725 81.4 83.3 -70.3 -27.2 20.7 84.5 61.2 119 119 A L T 3< S+ 0 0 5 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.1 0.773 79.5 61.3 -50.5 -39.7 17.2 85.8 61.4 120 120 A T T < S- 0 0 59 -3,-0.7 -1,-0.3 -4,-0.3 -2,-0.1 0.698 108.0-129.7 -63.8 -15.3 15.7 82.6 63.0 121 121 A G S < S+ 0 0 23 -3,-2.4 -2,-0.2 -4,-0.2 -1,-0.1 0.532 74.3 126.6 78.4 6.8 18.2 83.6 65.7 122 122 A K S S- 0 0 107 -5,-0.4 -4,-0.1 1,-0.2 -3,-0.1 0.743 72.9-111.8 -68.1 -23.6 19.4 80.0 65.6 123 123 A G - 0 0 1 -5,-0.4 80,-0.6 48,-0.3 2,-0.4 -0.077 23.5-132.4 106.5 149.4 22.9 81.3 65.1 124 124 A V E -c 203 0A 0 46,-0.2 49,-3.5 47,-0.2 2,-0.5 -0.988 5.8-152.2-143.1 130.7 25.6 81.5 62.4 125 125 A H E -cd 204 173A 8 78,-2.9 80,-3.1 -2,-0.4 2,-0.5 -0.869 9.4-170.6-104.4 125.7 29.3 80.6 62.6 126 126 A V E -cd 205 174A 6 47,-2.8 49,-1.3 -2,-0.5 2,-0.4 -0.998 21.9-164.4-114.7 123.7 31.4 82.5 60.1 127 127 A V E +cd 206 175A 0 78,-3.0 80,-3.8 -2,-0.5 2,-0.3 -0.903 19.0 171.9-129.2 147.4 34.8 81.0 60.3 128 128 A T E - d 0 176A 0 47,-1.5 49,-1.1 -2,-0.4 80,-0.1 -0.952 40.9-104.6-139.5 168.9 38.4 81.6 59.3 129 129 A V S S+ 0 0 30 -2,-0.3 2,-0.3 78,-0.3 49,-0.2 0.847 93.8 28.6 -57.4 -50.3 41.9 80.4 59.5 130 130 A N S > S- 0 0 26 46,-0.1 4,-2.0 45,-0.1 5,-0.1 -0.834 71.1-119.8-123.0 163.3 43.4 83.0 61.9 131 131 A E H > S+ 0 0 61 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.646 107.6 61.4 -71.3 -17.9 42.4 85.3 64.8 132 132 A Y H > S+ 0 0 38 2,-0.2 4,-3.6 3,-0.2 -1,-0.2 0.992 109.2 37.3 -70.5 -67.7 43.4 88.4 63.0 133 133 A L H > S+ 0 0 2 2,-0.2 4,-3.6 1,-0.2 5,-0.4 0.877 114.9 57.5 -47.9 -44.9 41.1 88.1 60.0 134 134 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.974 113.6 37.4 -54.5 -51.6 38.4 86.8 62.3 135 135 A S H X S+ 0 0 42 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.925 117.5 53.4 -66.6 -42.4 38.6 89.9 64.5 136 136 A R H X S+ 0 0 35 -4,-3.6 4,-2.4 2,-0.2 5,-0.3 0.965 112.8 41.6 -54.4 -60.1 39.1 92.1 61.4 137 137 A D H X>S+ 0 0 5 -4,-3.6 4,-3.4 1,-0.2 5,-0.6 0.933 111.9 54.7 -56.1 -50.8 36.0 90.8 59.6 138 138 A A H X5S+ 0 0 10 -4,-2.5 4,-2.8 -5,-0.4 -1,-0.2 0.935 111.0 47.2 -47.9 -52.9 33.8 90.8 62.6 139 139 A E H X5S+ 0 0 132 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.940 121.0 33.2 -57.4 -55.0 34.6 94.4 63.2 140 140 A Q H <5S+ 0 0 84 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.936 125.7 41.1 -70.0 -47.7 34.1 95.7 59.6 141 141 A M H >X5S+ 0 0 9 -4,-3.4 4,-1.7 -5,-0.3 3,-1.3 0.814 104.8 67.6 -71.7 -29.1 31.3 93.3 58.7 142 142 A G H 3X S+ 0 0 0 -3,-1.3 4,-2.5 -4,-0.4 -1,-0.2 0.868 116.1 46.5 -85.9 -43.7 26.4 96.2 58.6 145 145 A F H < S+ 0 0 1 -4,-1.7 5,-0.2 1,-0.2 -2,-0.2 0.929 116.8 44.9 -63.4 -39.5 24.9 93.3 60.6 146 146 A E H >< S+ 0 0 106 -4,-3.9 3,-1.7 3,-0.3 -1,-0.2 0.842 107.4 58.1 -72.4 -36.9 24.5 95.6 63.7 147 147 A F H 3< S+ 0 0 27 -4,-0.9 -2,-0.2 -5,-0.4 -1,-0.2 0.970 106.4 47.9 -58.9 -49.6 23.1 98.4 61.5 148 148 A L T 3< S- 0 0 2 -4,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.440 130.0-109.8 -71.3 8.9 20.4 95.9 60.5 149 149 A G < + 0 0 44 -3,-1.7 2,-0.3 1,-0.2 -3,-0.3 0.997 67.4 141.6 59.7 73.9 20.3 95.4 64.3 150 150 A L - 0 0 7 -5,-0.2 -1,-0.2 -8,-0.2 2,-0.1 -0.993 53.3-108.2-143.2 134.1 21.7 91.9 64.8 151 151 A T - 0 0 77 -2,-0.3 21,-1.0 18,-0.1 2,-0.4 -0.388 32.3-161.2 -63.3 136.9 23.9 90.7 67.7 152 152 A V E -e 172 0A 33 19,-0.2 21,-0.2 18,-0.1 2,-0.2 -0.825 6.8-172.4-132.9 103.7 27.6 90.0 66.7 153 153 A G E -e 173 0A 8 19,-2.4 21,-2.2 14,-0.4 2,-0.4 -0.496 10.4-157.1 -92.6 153.3 30.0 87.8 68.7 154 154 A L E -e 174 0A 45 19,-0.2 2,-0.5 -2,-0.2 21,-0.2 -0.954 9.7-157.2-131.9 115.7 33.8 87.2 68.4 155 155 A N E +e 175 0A 1 19,-2.8 21,-0.6 -2,-0.4 2,-0.3 -0.835 19.8 161.4-102.7 124.5 35.3 84.0 69.9 156 156 A L > - 0 0 38 -2,-0.5 3,-1.3 19,-0.1 8,-0.0 -0.885 47.8-115.4-131.3 157.4 39.1 83.8 70.8 157 157 A N T 3 S+ 0 0 99 -2,-0.3 7,-0.1 1,-0.3 -1,-0.0 0.813 109.9 68.7 -67.2 -31.0 40.9 81.4 73.1 158 158 A S T 3 S+ 0 0 90 2,-0.0 2,-0.4 -3,-0.0 -1,-0.3 0.368 82.6 103.3 -69.5 7.8 41.9 84.2 75.4 159 159 A M S < S- 0 0 27 -3,-1.3 -4,-0.0 1,-0.1 5,-0.0 -0.767 74.7-118.2-102.2 137.1 38.2 84.6 76.5 160 160 A S > - 0 0 47 -2,-0.4 4,-3.4 1,-0.1 5,-0.2 -0.158 34.8-105.5 -59.3 164.3 36.6 83.3 79.7 161 161 A K H > S+ 0 0 105 1,-0.2 4,-3.9 2,-0.2 5,-0.2 0.934 126.5 53.1 -60.5 -35.6 33.9 80.7 79.3 162 162 A D H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.847 110.0 46.6 -65.7 -37.2 31.5 83.5 80.2 163 163 A E H > S+ 0 0 87 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.940 113.6 48.9 -69.4 -47.2 33.0 85.6 77.4 164 164 A K H X S+ 0 0 11 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.936 108.7 53.3 -57.6 -47.6 32.8 82.7 75.1 165 165 A R H X S+ 0 0 51 -4,-3.9 4,-1.2 1,-0.2 -1,-0.2 0.889 109.2 48.9 -55.8 -40.8 29.2 82.1 76.1 166 166 A E H X S+ 0 0 140 -4,-1.6 4,-0.9 1,-0.2 3,-0.4 0.921 108.9 52.9 -67.6 -39.2 28.3 85.7 75.3 167 167 A A H >< S+ 0 0 3 -4,-2.5 3,-0.6 1,-0.3 -14,-0.4 0.907 112.6 44.2 -60.3 -43.4 30.0 85.5 71.9 168 168 A Y H 3< S+ 0 0 3 -4,-2.4 -1,-0.3 1,-0.2 -2,-0.2 0.643 102.1 68.4 -73.3 -20.6 28.0 82.4 71.0 169 169 A A H 3< S+ 0 0 66 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.756 82.6 101.8 -69.9 -27.5 24.8 84.0 72.4 170 170 A A S << S- 0 0 5 -4,-0.9 -46,-0.2 -3,-0.6 -18,-0.1 -0.010 88.7-115.3 -53.7 159.0 25.0 86.5 69.5 171 171 A D S S+ 0 0 22 1,-0.2 2,-0.3 -48,-0.1 -48,-0.3 0.739 106.0 22.4 -69.4 -21.4 22.8 86.2 66.4 172 172 A I E S- e 0 152A 0 -21,-1.0 -19,-2.4 -49,-0.2 2,-0.4 -0.974 71.7-159.5-149.8 138.5 26.2 85.7 64.6 173 173 A T E -de 125 153A 3 -49,-3.5 -47,-2.8 -2,-0.3 2,-0.4 -0.910 5.5-159.6-128.9 139.4 29.7 84.5 65.6 174 174 A Y E +de 126 154A 1 -21,-2.2 -19,-2.8 -2,-0.4 2,-0.3 -0.893 32.8 136.1-109.9 139.1 33.1 84.8 64.2 175 175 A S E -de 127 155A 1 -49,-1.3 -47,-1.5 -2,-0.4 2,-0.2 -0.969 51.4 -86.5-174.1 162.9 35.9 82.4 65.2 176 176 A T E > -d 128 0A 8 -21,-0.6 4,-2.6 -2,-0.3 -47,-0.2 -0.550 37.2-118.4 -79.3 151.9 38.7 80.2 64.1 177 177 A N H > S+ 0 0 0 -49,-1.1 4,-2.6 1,-0.2 5,-0.1 0.926 117.2 51.7 -52.4 -44.9 38.1 76.7 62.9 178 178 A N H > S+ 0 0 45 -49,-0.2 4,-2.9 2,-0.2 5,-0.3 0.918 108.2 49.9 -60.8 -46.0 40.3 75.5 65.8 179 179 A E H > S+ 0 0 14 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.958 110.6 49.8 -59.7 -48.5 38.4 77.5 68.4 180 180 A L H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.957 114.1 45.9 -51.6 -57.5 35.1 76.2 67.2 181 181 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.3 -2,-0.2 0.919 113.4 45.7 -50.6 -61.2 36.3 72.7 67.3 182 182 A F H X S+ 0 0 13 -4,-2.9 4,-3.4 1,-0.2 5,-0.3 0.817 111.4 55.1 -55.3 -34.2 38.0 72.8 70.7 183 183 A D H X S+ 0 0 4 -4,-2.7 4,-3.4 -5,-0.3 -1,-0.2 0.971 106.3 48.7 -65.3 -50.7 35.0 74.5 72.1 184 184 A Y H < S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 114.4 51.5 -54.4 -37.3 32.6 71.7 70.9 185 185 A L H >< S+ 0 0 0 -4,-2.3 3,-2.1 -5,-0.3 -2,-0.2 0.984 112.1 39.1 -64.5 -58.9 35.2 69.5 72.5 186 186 A R H >< S+ 0 0 81 -4,-3.4 3,-2.6 1,-0.3 4,-0.3 0.870 106.9 71.1 -58.1 -36.1 35.5 71.0 75.9 187 187 A D T 3< S+ 0 0 12 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.573 97.2 49.6 -56.3 -14.1 31.7 71.5 75.7 188 188 A N T < S+ 0 0 34 -3,-2.1 -1,-0.3 -4,-0.2 -2,-0.2 0.193 102.4 57.7-115.3 15.9 31.3 67.8 76.1 189 189 A M S < S+ 0 0 41 -3,-2.6 -2,-0.2 164,-0.0 601,-0.1 0.159 80.0 127.3-124.0 9.1 33.4 67.3 79.1 190 190 A V - 0 0 17 -4,-0.3 3,-0.1 -3,-0.1 -3,-0.0 -0.355 50.5-153.7 -68.2 142.6 31.3 69.8 81.1 191 191 A L S S+ 0 0 22 1,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.804 81.4 34.3 -89.2 -33.3 29.9 68.8 84.6 192 192 A Y S > S- 0 0 56 1,-0.1 3,-2.9 594,-0.0 4,-0.4 -0.995 82.0-125.1-125.4 133.0 26.9 71.1 84.7 193 193 A K G > S+ 0 0 103 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.823 105.4 63.8 -44.1 -45.2 24.9 72.2 81.6 194 194 A E G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 0, 0.0 0.561 89.7 69.3 -60.0 -11.9 25.3 75.9 82.2 195 195 A Q G < S+ 0 0 59 -3,-2.9 -1,-0.3 -8,-0.1 -2,-0.2 0.655 73.8 103.0 -84.0 -15.4 29.1 75.7 81.7 196 196 A M < - 0 0 46 -3,-2.1 -12,-0.1 -4,-0.4 -13,-0.0 -0.469 53.3-163.9 -70.0 140.8 28.9 75.0 78.0 197 197 A V + 0 0 12 -14,-0.2 -29,-0.2 -2,-0.1 -1,-0.1 0.809 61.0 80.5 -88.9 -40.7 29.7 77.9 75.8 198 198 A Q - 0 0 20 -15,-0.2 3,-0.1 -18,-0.1 -33,-0.1 -0.295 61.9-149.5 -73.8 158.3 28.3 76.7 72.4 199 199 A R - 0 0 74 1,-0.1 3,-0.1 -31,-0.1 -2,-0.0 -0.814 52.9 -60.6-119.3 156.6 24.7 76.8 71.3 200 200 A P - 0 0 108 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.019 62.9-101.6 -38.9 132.0 23.5 74.1 68.8 201 201 A L + 0 0 27 1,-0.2 164,-0.4 162,-0.1 3,-0.1 -0.436 55.5 158.2 -68.7 119.1 25.3 74.0 65.5 202 202 A H - 0 0 18 1,-0.3 164,-1.4 -2,-0.3 163,-0.8 0.788 55.8 -14.3-105.8 -69.2 23.1 75.7 63.0 203 203 A F E -cf 124 366A 1 -80,-0.6 -78,-2.9 162,-0.2 2,-0.4 -0.998 54.5-163.7-146.1 138.6 24.8 77.1 60.0 204 204 A A E -cf 125 367A 0 162,-1.9 164,-1.6 -2,-0.4 2,-0.6 -0.998 6.8-164.2-132.4 130.3 28.5 77.8 59.2 205 205 A V E -cf 126 368A 1 -80,-3.1 -78,-3.0 -2,-0.4 2,-0.6 -0.978 15.3-156.8-112.6 112.8 30.0 79.8 56.6 206 206 A I E -cf 127 369A 0 162,-3.0 164,-2.7 -2,-0.6 2,-0.5 -0.838 5.8-148.2 -95.6 112.3 33.7 79.0 56.1 207 207 A D E S+ f 0 370A 8 -80,-3.8 -78,-0.3 -2,-0.6 5,-0.2 -0.758 87.2 7.6 -79.1 128.1 35.8 81.7 54.6 208 208 A E S > S- 0 0 6 162,-1.8 4,-1.8 -2,-0.5 -1,-0.3 0.998 75.9-178.1 59.4 70.9 38.5 79.9 52.6 209 209 A V H >>S+ 0 0 0 161,-1.4 4,-2.5 -3,-0.5 5,-0.8 0.895 73.1 64.1 -63.4 -47.6 37.3 76.4 52.9 210 210 A D H >>S+ 0 0 0 1,-0.2 5,-2.0 3,-0.2 4,-1.4 0.895 106.0 45.9 -47.4 -42.3 40.1 74.8 51.1 211 211 A S H 4>S+ 0 0 22 3,-0.2 5,-3.0 2,-0.2 6,-0.3 0.993 124.2 33.0 -66.8 -54.0 42.4 75.9 53.8 212 212 A I H <5S+ 0 0 0 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.985 126.4 36.3 -64.9 -68.4 40.2 74.8 56.6 213 213 A L H <5S+ 0 0 1 -4,-2.5 -3,-0.2 3,-0.1 -1,-0.2 0.719 133.6 23.6 -60.7 -26.1 38.4 71.7 55.2 214 214 A I T >< S+ 0 0 151 -2,-2.7 3,-0.8 1,-0.1 -1,-0.2 0.674 74.3 161.7 55.1 24.3 52.3 60.0 89.4 230 230 A S T > + 0 0 26 1,-0.2 3,-3.7 2,-0.1 4,-0.3 0.525 30.3 115.0 -48.5 -21.2 49.7 57.6 90.9 231 231 A T T >> + 0 0 46 1,-0.3 4,-2.0 2,-0.2 3,-0.8 0.701 62.7 72.6 -20.2 -51.0 51.8 54.4 90.5 232 232 A K H <> S+ 0 0 169 -3,-0.8 4,-1.7 1,-0.3 -1,-0.3 0.696 93.4 58.3 -44.2 -24.1 52.1 54.1 94.3 233 233 A L H <> S+ 0 0 61 -3,-3.7 4,-2.7 2,-0.2 -1,-0.3 0.940 106.1 42.2 -75.6 -54.0 48.4 53.0 94.2 234 234 A Y H <> S+ 0 0 31 -3,-0.8 4,-3.5 -4,-0.3 5,-0.3 0.901 113.6 54.4 -62.2 -41.3 48.7 50.0 91.9 235 235 A V H X S+ 0 0 82 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.970 114.1 40.8 -54.6 -55.9 51.9 48.9 93.7 236 236 A Q H X S+ 0 0 122 -4,-1.7 4,-2.8 -5,-0.2 -1,-0.2 0.862 115.3 52.5 -60.0 -40.4 50.1 48.9 97.0 237 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