==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 09-AUG-07 2QW1 . COMPND 2 MOLECULE: D-GALACTOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.BORROK,L.L.KIESSLING,K.T.FOREST . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13815.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 232 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.0 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 . 1 0.3 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 . 24 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 34.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 0 0 0 2 0 0 1 2 0 1 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 3 0 0 2 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 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 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 2 A D 0 0 144 0, 0.0 2,-0.5 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 151.0 15.8 3.5 -40.2 2 3 A T E -a 33 0A 35 30,-3.5 32,-2.6 57,-0.0 2,-0.4 -0.636 360.0-139.7 -74.3 118.1 14.2 1.6 -37.4 3 4 A R E -a 34 0A 88 -2,-0.5 57,-3.3 55,-0.4 58,-0.8 -0.675 19.9-174.2 -88.5 133.1 10.5 2.5 -37.4 4 5 A I E -ab 35 61A 2 30,-2.6 32,-2.9 -2,-0.4 2,-0.4 -0.995 13.7-147.6-125.0 124.0 8.6 3.1 -34.2 5 6 A G E -ab 36 62A 0 56,-2.4 58,-3.0 -2,-0.4 2,-0.4 -0.771 14.9-171.7 -93.8 134.9 4.8 3.7 -34.3 6 7 A V E -ab 37 63A 1 30,-2.9 32,-1.1 -2,-0.4 2,-0.5 -0.992 8.3-167.4-129.0 132.5 3.2 6.0 -31.8 7 8 A T E -ab 38 64A 0 56,-2.0 58,-2.4 -2,-0.4 2,-0.4 -0.983 4.5-162.6-117.7 128.5 -0.5 6.7 -31.2 8 9 A I E -a 39 0A 0 30,-2.7 32,-2.9 -2,-0.5 33,-0.3 -0.903 24.1-130.7-105.3 136.1 -1.7 9.6 -28.9 9 10 A Y S S- 0 0 44 -2,-0.4 33,-3.1 1,-0.2 34,-0.5 0.879 86.0 -13.8 -62.1 -38.7 -5.3 9.2 -27.8 10 11 A K > - 0 0 50 31,-0.3 3,-0.9 30,-0.2 -1,-0.2 -0.928 55.1-138.8-159.4 142.1 -6.1 12.8 -28.8 11 12 A Y T 3 S+ 0 0 69 -2,-0.3 -2,-0.1 1,-0.2 -1,-0.0 0.682 96.2 71.3 -75.6 -17.1 -3.9 15.7 -29.8 12 13 A D T 3 S+ 0 0 123 4,-0.1 2,-0.6 5,-0.0 -1,-0.2 0.212 71.1 103.0 -89.2 19.8 -6.1 18.2 -27.9 13 14 A D <> - 0 0 36 -3,-0.9 4,-1.6 1,-0.1 5,-0.1 -0.897 63.5-150.5 -98.0 119.8 -5.0 17.0 -24.5 14 15 A N H > S+ 0 0 137 -2,-0.6 4,-1.9 2,-0.2 5,-0.2 0.914 93.5 45.9 -57.8 -49.7 -2.4 19.4 -22.9 15 16 A F H > S+ 0 0 41 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.957 114.8 47.4 -62.1 -48.1 -0.5 16.8 -20.9 16 17 A M H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.758 107.3 58.5 -68.3 -20.9 -0.3 14.3 -23.7 17 18 A S H X S+ 0 0 16 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.885 106.7 47.0 -72.0 -39.3 0.8 17.1 -26.1 18 19 A V H X S+ 0 0 75 -4,-1.9 4,-2.1 -3,-0.3 -2,-0.2 0.940 114.6 47.1 -62.7 -45.7 3.8 17.8 -23.9 19 20 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.943 112.6 49.7 -61.7 -48.9 4.5 14.0 -23.8 20 21 A R H X S+ 0 0 20 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.904 111.8 47.2 -54.0 -49.0 4.1 13.7 -27.6 21 22 A K H X S+ 0 0 118 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.871 111.5 51.2 -67.8 -34.6 6.4 16.6 -28.3 22 23 A A H X S+ 0 0 11 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.885 108.7 51.0 -67.6 -40.4 9.0 15.2 -25.9 23 24 A I H X S+ 0 0 2 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.944 109.8 51.1 -58.7 -47.1 8.9 11.8 -27.6 24 25 A E H X S+ 0 0 63 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.892 111.9 46.6 -58.2 -42.4 9.4 13.5 -31.0 25 26 A Q H X S+ 0 0 120 -4,-2.1 4,-0.9 2,-0.2 -1,-0.2 0.914 110.4 52.6 -65.2 -43.1 12.5 15.4 -29.6 26 27 A D H >< S+ 0 0 42 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.891 107.7 52.1 -58.5 -41.6 13.9 12.2 -28.0 27 28 A A H >< S+ 0 0 8 -4,-2.6 3,-1.7 1,-0.2 6,-0.3 0.841 100.4 62.1 -66.1 -33.4 13.5 10.5 -31.4 28 29 A K H 3< S+ 0 0 168 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.799 100.3 54.8 -61.8 -28.5 15.5 13.3 -33.1 29 30 A A T << S+ 0 0 87 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.453 99.2 67.0 -81.8 -4.7 18.4 12.4 -30.8 30 31 A A X - 0 0 7 -3,-1.7 3,-2.2 -4,-0.2 -1,-0.2 -0.819 65.2-177.3-116.9 87.9 18.2 8.8 -32.1 31 32 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.731 79.8 62.6 -63.2 -23.7 19.2 9.1 -35.9 32 33 A D T 3 S+ 0 0 65 -31,-0.1 -30,-3.5 -3,-0.1 2,-0.4 0.443 94.5 85.8 -76.2 -0.6 18.6 5.4 -36.5 33 34 A V E < -a 2 0A 13 -3,-2.2 2,-0.5 -6,-0.3 -30,-0.2 -0.874 55.2-167.8-114.1 132.3 14.9 5.9 -35.6 34 35 A Q E -a 3 0A 72 -32,-2.6 -30,-2.6 -2,-0.4 2,-0.4 -0.981 18.5-150.7-111.7 120.6 12.0 7.0 -37.7 35 36 A L E -a 4 0A 32 -2,-0.5 2,-0.6 -32,-0.2 -30,-0.2 -0.756 5.4-160.0 -92.1 132.7 8.9 7.9 -35.6 36 37 A L E -a 5 0A 25 -32,-2.9 -30,-2.9 -2,-0.4 2,-0.2 -0.898 19.2-163.2-113.4 103.1 5.5 7.4 -37.1 37 38 A M E -a 6 0A 45 -2,-0.6 2,-0.4 -32,-0.2 -30,-0.2 -0.556 7.8-171.0 -93.6 145.6 3.1 9.6 -35.1 38 39 A N E -a 7 0A 29 -32,-1.1 -30,-2.7 -2,-0.2 2,-0.7 -0.999 20.6-149.2-140.8 138.7 -0.7 9.4 -35.0 39 40 A D E -a 8 0A 43 -2,-0.4 -30,-0.2 -32,-0.2 -29,-0.1 -0.921 10.3-166.6-101.2 112.1 -3.5 11.5 -33.5 40 41 A S > - 0 0 0 -32,-2.9 3,-1.7 -2,-0.7 7,-0.3 0.507 25.5-138.6 -81.5 -1.9 -6.3 9.0 -32.6 41 42 A Q T 3 - 0 0 125 -33,-0.3 -31,-0.3 1,-0.3 -32,-0.1 0.825 61.0 -65.3 51.6 36.6 -8.8 11.9 -32.2 42 43 A N T 3 S+ 0 0 87 -33,-3.1 2,-0.4 -34,-0.2 -1,-0.3 0.786 109.9 118.2 59.2 33.5 -10.3 10.3 -29.1 43 44 A D <> - 0 0 71 -3,-1.7 4,-2.3 -34,-0.5 3,-0.2 -0.930 49.9-163.3-135.5 108.2 -11.6 7.4 -31.1 44 45 A Q H > S+ 0 0 23 -2,-0.4 4,-2.8 1,-0.2 5,-0.2 0.862 93.7 55.1 -59.5 -38.0 -10.4 3.9 -30.3 45 46 A S H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.904 108.8 48.8 -62.8 -38.6 -11.7 2.4 -33.6 46 47 A K H > S+ 0 0 74 -6,-0.2 4,-2.5 -3,-0.2 -2,-0.2 0.930 111.0 50.6 -62.2 -44.3 -9.6 5.1 -35.4 47 48 A Q H X S+ 0 0 0 -4,-2.3 4,-2.1 -7,-0.3 -2,-0.2 0.917 107.9 52.8 -59.7 -43.5 -6.6 4.2 -33.2 48 49 A N H X S+ 0 0 31 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.902 110.6 47.3 -60.4 -42.8 -7.1 0.5 -34.1 49 50 A D H X S+ 0 0 102 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.884 109.0 54.2 -64.3 -39.9 -7.1 1.3 -37.8 50 51 A Q H X S+ 0 0 20 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.858 106.7 52.3 -61.8 -34.9 -4.0 3.5 -37.3 51 52 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.910 104.7 55.4 -68.0 -41.1 -2.3 0.5 -35.7 52 53 A D H X S+ 0 0 71 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.923 110.5 46.5 -51.8 -46.5 -3.2 -1.7 -38.8 53 54 A V H X S+ 0 0 73 -4,-2.0 4,-1.1 1,-0.2 -2,-0.2 0.914 110.3 52.0 -64.1 -44.4 -1.4 0.9 -41.0 54 55 A L H <>S+ 0 0 2 -4,-2.2 5,-1.4 1,-0.2 3,-0.5 0.903 109.0 50.8 -57.4 -42.3 1.6 1.1 -38.7 55 56 A L H ><5S+ 0 0 16 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.886 105.5 54.6 -68.2 -37.2 2.0 -2.7 -38.8 56 57 A A H 3<5S+ 0 0 91 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.744 103.8 59.0 -66.5 -19.8 1.8 -2.7 -42.6 57 58 A K T 3<5S- 0 0 100 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.394 116.1-116.4 -89.6 2.7 4.8 -0.2 -42.4 58 59 A G T < 5 - 0 0 32 -3,-1.6 -55,-0.4 1,-0.2 -3,-0.2 0.865 41.6-173.6 71.4 35.0 6.9 -2.7 -40.5 59 60 A V < - 0 0 2 -5,-1.4 -55,-0.2 1,-0.1 -1,-0.2 -0.330 20.2-149.8 -58.5 145.1 7.2 -0.8 -37.3 60 61 A K S S+ 0 0 117 -57,-3.3 2,-0.3 1,-0.3 -56,-0.2 0.551 78.8 12.9 -95.3 -13.9 9.7 -2.6 -34.9 61 62 A A E -b 4 0A 0 -58,-0.8 -56,-2.4 23,-0.2 2,-0.4 -0.979 64.8-143.3-156.0 155.0 7.8 -1.2 -31.8 62 63 A L E -bc 5 86A 0 23,-2.3 25,-2.9 -2,-0.3 2,-0.6 -0.987 3.7-164.7-119.8 132.3 4.5 0.4 -30.9 63 64 A A E -bc 6 87A 2 -58,-3.0 -56,-2.0 -2,-0.4 2,-0.5 -0.983 23.0-170.0-111.2 114.8 4.1 3.1 -28.2 64 65 A I E -bc 7 88A 0 23,-1.9 25,-2.1 -2,-0.6 2,-0.8 -0.932 26.0-171.3-121.4 120.6 0.4 3.2 -27.6 65 66 A N - 0 0 2 -58,-2.4 25,-0.1 -2,-0.5 27,-0.1 -0.901 36.3-137.4-102.6 96.8 -1.6 5.8 -25.5 66 67 A L - 0 0 0 -2,-0.8 -57,-0.2 25,-0.4 -22,-0.1 -0.183 20.6-157.4 -57.8 143.3 -5.0 4.1 -25.5 67 68 A V S S+ 0 0 27 1,-0.3 -1,-0.1 -58,-0.1 3,-0.1 0.901 97.1 28.7 -74.2 -56.3 -8.3 5.9 -26.1 68 69 A D S > S- 0 0 76 1,-0.1 3,-2.2 23,-0.0 -1,-0.3 -0.921 74.3-153.8-107.1 114.6 -10.1 3.1 -24.3 69 70 A P G > S+ 0 0 46 0, 0.0 3,-1.6 0, 0.0 25,-0.4 0.822 95.5 64.1 -55.1 -31.8 -7.9 1.2 -21.7 70 71 A A G > S+ 0 0 84 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.629 88.5 70.9 -68.5 -14.1 -10.1 -1.9 -22.2 71 72 A A G <> + 0 0 6 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.388 66.6 99.3 -81.5 1.5 -8.8 -2.0 -25.9 72 73 A A H <> S+ 0 0 1 -3,-1.6 4,-2.9 1,-0.2 -1,-0.2 0.908 81.3 51.8 -53.3 -45.0 -5.3 -3.1 -24.7 73 74 A G H <> S+ 0 0 30 -3,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.908 107.6 51.7 -60.4 -44.6 -6.1 -6.7 -25.5 74 75 A T H > S+ 0 0 68 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.911 112.6 46.1 -53.6 -46.8 -7.2 -5.8 -29.1 75 76 A V H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.918 110.7 52.1 -66.6 -44.7 -4.0 -3.9 -29.6 76 77 A I H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.920 106.6 54.4 -59.1 -43.7 -1.9 -6.7 -28.2 77 78 A E H X S+ 0 0 111 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.881 109.6 46.8 -59.1 -39.1 -3.6 -9.2 -30.6 78 79 A K H >< S+ 0 0 58 -4,-1.6 3,-0.9 1,-0.2 4,-0.4 0.919 111.4 51.9 -65.5 -44.6 -2.7 -7.0 -33.6 79 80 A A H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.7 0.801 96.8 69.5 -62.8 -30.8 0.9 -6.7 -32.3 80 81 A R H ><5S+ 0 0 86 -4,-1.9 3,-1.0 1,-0.2 -1,-0.2 0.800 83.0 71.7 -58.7 -33.6 1.3 -10.5 -32.0 81 82 A G T <<5S+ 0 0 68 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.1 0.865 115.5 21.6 -57.0 -43.6 1.3 -11.1 -35.7 82 83 A Q T < 5S- 0 0 104 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.212 111.5-113.5-107.9 11.6 4.7 -9.7 -36.3 83 84 A N T < 5 + 0 0 108 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.884 54.7 172.3 60.9 41.8 5.8 -10.1 -32.7 84 85 A V < - 0 0 5 -5,-2.6 -1,-0.2 -6,-0.1 -23,-0.2 -0.699 30.5-125.2 -87.9 128.2 5.9 -6.3 -32.2 85 86 A P - 0 0 8 0, 0.0 -23,-2.3 0, 0.0 2,-0.5 -0.395 21.5-150.6 -69.1 150.7 6.5 -5.1 -28.7 86 87 A V E -cd 62 104A 0 17,-2.5 19,-2.3 -25,-0.2 2,-0.7 -0.992 10.9-166.2-130.2 123.3 4.0 -2.6 -27.3 87 88 A V E -cd 63 105A 0 -25,-2.9 -23,-1.9 -2,-0.5 2,-0.2 -0.934 15.5-159.1-107.0 99.1 4.8 0.1 -24.7 88 89 A F E -cd 64 106A 0 17,-2.7 19,-2.3 -2,-0.7 2,-0.3 -0.588 14.2-167.3 -70.7 142.2 1.5 1.4 -23.4 89 90 A F E - d 0 107A 0 -25,-2.1 2,-1.6 -2,-0.2 -23,-0.2 -0.999 48.7 -9.6-142.7 146.3 1.7 4.8 -21.8 90 91 A N S S+ 0 0 51 17,-2.3 2,-0.6 -2,-0.3 19,-0.1 -0.108 115.0 69.3 68.2 -37.0 -0.4 7.1 -19.7 91 92 A K S S- 0 0 93 -2,-1.6 -25,-0.4 -27,-0.2 -2,-0.1 -0.966 87.2-134.9-109.0 115.2 -3.6 5.1 -19.9 92 93 A E - 0 0 65 -2,-0.6 3,-0.1 -27,-0.1 -20,-0.1 -0.546 10.5-146.8 -80.8 122.6 -3.1 1.9 -17.9 93 94 A P - 0 0 3 0, 0.0 -23,-0.1 0, 0.0 -1,-0.0 -0.297 38.8 -83.1 -71.9 167.9 -4.2 -1.4 -19.3 94 95 A S > - 0 0 65 -25,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.292 33.0-115.8 -67.5 157.9 -5.4 -4.1 -17.0 95 96 A R H > S+ 0 0 88 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.890 118.9 55.6 -58.5 -40.0 -2.9 -6.3 -15.2 96 97 A K H > S+ 0 0 179 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.910 106.5 50.1 -59.9 -43.7 -4.4 -9.3 -17.1 97 98 A A H >4 S+ 0 0 11 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.940 111.5 47.3 -62.5 -47.5 -3.7 -7.5 -20.5 98 99 A L H >< S+ 0 0 0 -4,-2.2 3,-1.0 1,-0.2 6,-0.4 0.888 112.1 49.8 -61.2 -40.6 -0.1 -6.8 -19.6 99 100 A D H 3< S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.645 97.3 71.9 -74.3 -12.8 0.5 -10.3 -18.4 100 101 A S T << S+ 0 0 52 -4,-0.9 2,-0.4 -3,-0.8 -1,-0.2 0.608 99.6 46.2 -75.6 -14.0 -1.1 -11.7 -21.7 101 102 A Y X - 0 0 4 -3,-1.0 3,-1.7 -4,-0.4 -1,-0.1 -0.988 67.0-148.3-138.5 125.0 1.9 -10.7 -23.8 102 103 A D T 3 S+ 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.704 102.8 48.8 -67.2 -15.3 5.6 -11.2 -23.1 103 104 A K T 3 S+ 0 0 58 -19,-0.1 -17,-2.5 -27,-0.0 2,-0.4 0.066 85.3 110.4-113.3 25.4 6.4 -7.9 -25.0 104 105 A A E < +d 86 0A 0 -3,-1.7 2,-0.3 -6,-0.4 -17,-0.2 -0.863 39.1 168.7 -99.9 132.8 3.8 -5.7 -23.3 105 106 A Y E -d 87 0A 42 -19,-2.3 -17,-2.7 -2,-0.4 2,-0.4 -0.891 20.0-146.2-134.1 165.0 5.0 -2.8 -21.0 106 107 A Y E -de 88 289A 4 182,-2.5 184,-3.0 -2,-0.3 2,-0.5 -0.999 7.6-171.1-137.2 135.1 3.4 0.2 -19.4 107 108 A V E +de 89 290A 0 -19,-2.3 -17,-2.3 -2,-0.4 2,-0.3 -0.983 44.6 90.6-120.1 118.8 4.8 3.6 -18.5 108 109 A G - 0 0 0 182,-2.2 2,-0.4 -2,-0.5 184,-0.1 -0.950 57.1-117.9 171.0 172.7 2.6 5.8 -16.4 109 110 A T - 0 0 15 -2,-0.3 5,-0.1 182,-0.2 -17,-0.1 -0.998 32.0-107.0-139.1 132.8 1.6 6.9 -12.8 110 111 A D > - 0 0 57 -2,-0.4 3,-1.6 1,-0.1 4,-0.4 -0.311 27.5-129.3 -56.4 136.2 -1.7 6.6 -10.9 111 112 A S T >> S+ 0 0 27 1,-0.3 3,-1.6 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-7.5 24.1 9.3 142 143 A F E -gh 174 205B 2 31,-2.5 33,-2.7 -2,-0.7 34,-1.0 -0.821 37.1-147.3-125.9 163.2 -7.8 24.1 5.5 143 144 A V E -gh 176 206B 0 62,-1.8 64,-2.7 -2,-0.3 2,-0.4 -0.971 20.9-152.0-121.4 151.1 -9.9 25.1 2.6 144 145 A L E -gh 177 207B 0 32,-1.7 34,-2.0 -2,-0.4 2,-0.7 -0.982 8.6-155.4-129.8 127.4 -9.9 23.0 -0.6 145 146 A L E -gh 178 208B 0 62,-2.5 64,-2.4 -2,-0.4 65,-0.2 -0.905 24.6-155.5-101.3 112.0 -10.6 24.2 -4.2 146 147 A K E -g 179 0B 36 32,-2.9 34,-2.7 -2,-0.7 35,-0.6 -0.568 8.3-128.6 -91.6 145.8 -11.7 21.1 -6.2 147 148 A G - 0 0 0 -2,-0.2 34,-0.4 1,-0.2 -1,-0.1 0.081 66.9 -34.6 -70.7-165.1 -11.4 20.6 -9.9 148 149 A E S > S- 0 0 94 32,-0.1 3,-2.1 1,-0.1 6,-0.3 -0.364 77.3-106.5 -58.4 127.6 -14.4 19.5 -12.0 149 150 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.256 104.0 16.7 -54.9 138.5 -16.6 17.1 -9.9 150 151 A G T 3 S+ 0 0 58 1,-0.3 -2,-0.1 -3,-0.1 3,-0.0 0.229 87.9 132.4 81.3 -16.7 -16.2 13.5 -11.1 151 152 A H <> - 0 0 64 -3,-2.1 4,-2.7 1,-0.1 3,-0.4 -0.548 64.3-128.8 -64.1 128.3 -13.1 14.3 -13.1 152 153 A P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.838 107.0 48.1 -54.0 -33.8 -10.7 11.5 -12.0 153 154 A D H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.852 111.2 49.9 -75.4 -33.5 -7.9 14.0 -11.2 154 155 A A H > S+ 0 0 0 -3,-0.4 4,-2.0 -6,-0.3 5,-0.2 0.941 115.3 43.7 -65.8 -46.0 -10.2 16.2 -9.1 155 156 A E H X S+ 0 0 67 -4,-2.7 4,-2.5 -7,-0.2 5,-0.3 0.936 117.4 45.3 -65.7 -45.3 -11.5 13.2 -7.2 156 157 A A H X S+ 0 0 15 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.921 114.9 45.8 -64.7 -47.4 -8.0 11.7 -6.7 157 158 A R H X S+ 0 0 11 -4,-2.5 4,-1.7 2,-0.2 5,-0.2 0.883 115.4 47.3 -67.7 -36.6 -6.2 14.9 -5.7 158 159 A T H X S+ 0 0 15 -4,-2.0 4,-0.9 -5,-0.3 -2,-0.2 0.950 117.4 41.0 -67.6 -49.0 -9.0 15.8 -3.3 159 160 A T H X S+ 0 0 65 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.943 119.8 42.4 -63.2 -50.2 -9.2 12.5 -1.6 160 161 A Y H X S+ 0 0 66 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.729 101.4 62.9 -83.2 -20.8 -5.5 11.7 -1.4 161 162 A V H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.3 -1,-0.2 0.944 113.8 39.2 -64.8 -38.7 -4.1 15.0 -0.4 162 163 A I H X S+ 0 0 26 -4,-0.9 4,-2.8 -5,-0.2 5,-0.2 0.923 114.4 52.5 -76.2 -44.2 -6.1 14.7 2.9 163 164 A K H X S+ 0 0 88 -4,-2.1 4,-2.8 1,-0.2 5,-0.2 0.930 111.6 48.0 -56.0 -44.1 -5.5 11.0 3.3 164 165 A E H X S+ 0 0 34 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.933 111.2 48.5 -68.0 -44.7 -1.8 11.5 2.9 165 166 A L H <>S+ 0 0 1 -4,-2.1 5,-2.5 -5,-0.2 3,-0.3 0.959 115.9 45.1 -52.8 -51.9 -1.7 14.4 5.5 166 167 A N H ><5S+ 0 0 70 -4,-2.8 3,-1.7 1,-0.2 -2,-0.2 0.891 110.9 52.6 -60.8 -42.3 -3.7 12.3 7.9 167 168 A D H 3<5S+ 0 0 117 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.777 103.9 57.5 -64.1 -31.5 -1.6 9.2 7.3 168 169 A K T 3<5S- 0 0 114 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.239 129.3 -99.8 -81.0 9.6 1.6 11.2 8.0 169 170 A G T < 5S+ 0 0 65 -3,-1.7 2,-0.8 1,-0.2 -3,-0.2 0.547 83.8 129.4 85.7 10.2 -0.0 12.0 11.4 170 171 A I < - 0 0 20 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.863 48.4-147.7-101.4 108.0 -1.3 15.5 10.6 171 172 A K - 0 0 145 -2,-0.8 -31,-2.4 -33,-0.4 2,-0.3 -0.451 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X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.894 110.0 54.8 -65.6 -40.6 -11.8 32.2 -2.0 192 193 A D H X S+ 0 0 52 -4,-2.6 4,-0.6 -5,-0.3 -1,-0.2 0.925 108.0 49.7 -55.7 -46.7 -13.1 35.8 -1.8 193 194 A A H >< S+ 0 0 51 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.913 111.6 48.1 -58.1 -47.4 -16.4 34.4 -0.4 194 195 A W H >< S+ 0 0 17 -4,-2.2 3,-1.0 1,-0.3 5,-0.3 0.879 109.7 52.3 -63.8 -37.0 -14.6 32.3 2.1 195 196 A L H 3< S+ 0 0 9 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.583 109.5 51.1 -76.5 -8.1 -12.5 35.2 3.2 196 197 A S T << S+ 0 0 80 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.408 105.9 68.5-103.0 -2.3 -15.7 37.3 3.7 197 198 A G S X S- 0 0 29 -3,-1.0 3,-1.8 -4,-0.4 -3,-0.0 -0.331 105.0 -71.5-110.6-168.5 -17.4 34.7 5.9 198 199 A P T 3 S+ 0 0 123 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.658 124.2 54.7 -60.5 -22.2 -17.1 33.2 9.4 199 200 A N T >> S+ 0 0 31 -5,-0.3 3,-1.5 1,-0.2 4,-1.4 0.426 72.6 108.7 -93.1 2.3 -14.0 31.1 8.5 200 201 A A T <4 S+ 0 0 14 -3,-1.8 3,-0.2 1,-0.3 -1,-0.2 0.824 86.9 34.8 -50.3 -44.3 -11.8 34.0 7.3 201 202 A N T 34 S+ 0 0 124 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.478 112.8 61.3 -92.6 -5.5 -9.5 34.1 10.3 202 203 A K T <4 S+ 0 0 125 -3,-1.5 2,-0.2 -4,-0.1 -2,-0.2 0.635 74.7 106.6 -93.7 -21.8 -9.5 30.3 10.9 203 204 A I < + 0 0 2 -4,-1.4 -61,-0.2 -3,-0.2 3,-0.1 -0.470 35.3 168.6 -64.3 126.8 -8.1 29.3 7.5 204 205 A E + 0 0 3 -63,-2.7 2,-0.3 1,-0.3 -62,-0.2 0.720 64.0 17.8-107.4 -31.7 -4.4 28.1 7.8 205 206 A V E -h 142 0B 0 -64,-1.4 -62,-1.8 24,-0.2 2,-0.5 -0.998 60.5-146.7-145.4 137.6 -3.7 26.5 4.5 206 207 A V E -hi 143 231B 0 24,-2.8 26,-2.2 -2,-0.3 2,-0.5 -0.944 16.7-168.1-104.8 127.5 -5.3 26.6 1.0 207 208 A I E -hi 144 232B 0 -64,-2.7 -62,-2.5 -2,-0.5 2,-0.4 -0.970 5.1-173.8-115.9 125.2 -5.1 23.4 -1.0 208 209 A A E -h 145 0B 0 24,-2.4 -62,-0.2 -2,-0.5 -64,-0.0 -0.955 31.0-137.0-119.9 144.7 -6.0 23.5 -4.7 209 210 A N S S+ 0 0 0 -64,-2.4 2,-0.3 -2,-0.4 -63,-0.1 0.594 91.5 15.6 -69.5 -15.5 -6.3 20.6 -7.2 210 211 A N S > S- 0 0 12 -65,-0.2 4,-2.1 22,-0.2 25,-0.2 -0.977 78.6-108.5-150.6 171.8 -4.4 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