==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GALACTOSE-BINDING PROTEIN 03-FEB-94 1GCG . COMPND 2 MOLECULE: GALACTOSE/GLUCOSE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR M.M.FLOCCO,S.L.MOWBRAY . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13297.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 47 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.9 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 . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.9 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 1 1 1 0 2 0 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 2 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 . 0 1 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 1 A A 0 0 121 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -5.2 107.1 8.4 73.6 2 2 A D + 0 0 127 2,-0.1 2,-0.9 32,-0.0 32,-0.2 -0.699 360.0 174.5-125.4 74.6 106.9 11.1 76.3 3 3 A T E -a 34 0A 20 30,-1.9 32,-2.6 -2,-0.5 2,-0.5 -0.773 17.5-160.4 -86.2 107.2 104.6 14.0 75.2 4 4 A R E -a 35 0A 96 -2,-0.9 57,-3.0 55,-0.3 58,-0.7 -0.762 10.7-175.4 -89.9 127.0 104.3 16.2 78.3 5 5 A I E -ab 36 62A 2 30,-2.5 32,-2.5 -2,-0.5 2,-0.4 -0.994 16.1-144.0-121.0 127.9 101.4 18.6 78.5 6 6 A G E -ab 37 63A 0 56,-2.4 58,-2.4 -2,-0.4 2,-0.4 -0.766 17.5-170.1 -92.1 137.4 101.3 21.1 81.5 7 7 A V E -ab 38 64A 2 30,-3.0 32,-1.9 -2,-0.4 2,-0.5 -0.991 7.7-169.6-131.4 125.2 97.8 21.9 82.9 8 8 A T E -ab 39 65A 0 56,-2.2 58,-1.8 -2,-0.4 2,-0.5 -0.962 4.8-163.7-115.6 133.0 96.9 24.6 85.4 9 9 A I E -a 40 0A 0 30,-2.5 32,-2.6 -2,-0.5 33,-0.3 -0.962 21.3-136.9-107.9 130.4 93.4 24.8 87.0 10 10 A Y S S- 0 0 3 -2,-0.5 33,-3.0 1,-0.3 34,-0.3 0.815 87.8 -0.3 -62.9 -30.5 92.8 28.2 88.6 11 11 A K > - 0 0 46 31,-0.2 3,-1.2 30,-0.1 -1,-0.3 -0.853 59.5-155.0-162.4 116.8 91.2 26.6 91.7 12 12 A Y T 3 S+ 0 0 49 -2,-0.3 9,-0.1 1,-0.3 -2,-0.1 0.737 93.8 56.7 -70.5 -24.1 90.7 22.9 92.3 13 13 A D T 3 S+ 0 0 123 4,-0.1 2,-0.6 5,-0.0 -1,-0.3 0.150 71.1 113.0 -98.0 22.0 87.9 23.4 94.7 14 14 A D S <> S- 0 0 20 -3,-1.2 4,-1.9 1,-0.1 5,-0.2 -0.849 72.5-134.7 -79.5 125.2 85.7 25.4 92.3 15 15 A N H > S+ 0 0 57 -2,-0.6 4,-0.8 168,-0.3 -1,-0.1 0.873 99.2 41.4 -54.9 -45.4 82.9 22.7 91.9 16 16 A F H >> S+ 0 0 11 2,-0.2 4,-2.0 1,-0.2 3,-0.9 0.915 113.2 52.4 -70.9 -43.1 82.6 23.0 88.1 17 17 A M H 3> S+ 0 0 0 1,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.789 102.8 61.3 -68.0 -20.4 86.4 23.2 87.5 18 18 A S H 3X S+ 0 0 26 -4,-1.9 4,-1.6 2,-0.2 -1,-0.3 0.836 104.8 46.9 -68.2 -34.4 86.7 20.0 89.6 19 19 A V H < S+ 0 0 9 -4,-2.4 3,-0.7 1,-0.2 6,-0.3 0.860 108.2 49.1 -65.0 -39.3 95.1 11.8 79.6 29 29 A K H 3< S+ 0 0 180 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.812 107.9 56.7 -67.1 -31.9 95.1 8.3 81.1 30 30 A S T 3< S+ 0 0 98 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.467 92.9 73.1 -79.0 -10.4 93.3 7.0 78.0 31 31 A A S X S- 0 0 14 -3,-0.7 3,-1.5 -4,-0.4 -1,-0.1 -0.932 71.8-157.0-109.2 108.8 96.0 8.2 75.6 32 32 A P T 3 S+ 0 0 131 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.724 87.1 52.9 -59.0 -24.2 99.1 5.9 76.1 33 33 A D T 3 S+ 0 0 53 -31,-0.1 -30,-1.9 -3,-0.1 2,-0.3 0.280 93.7 85.5 -96.7 6.1 101.6 8.4 74.8 34 34 A V E < -a 3 0A 21 -3,-1.5 2,-0.4 -6,-0.3 -30,-0.2 -0.833 50.3-164.9-116.9 145.2 100.8 11.5 77.0 35 35 A Q E -a 4 0A 95 -32,-2.6 -30,-2.5 -2,-0.3 2,-0.5 -0.977 14.0-156.1-128.1 118.1 101.9 12.7 80.5 36 36 A L E -a 5 0A 33 -2,-0.4 2,-0.7 -32,-0.2 -30,-0.2 -0.801 4.1-157.4 -93.6 130.4 99.8 15.4 82.0 37 37 A L E -a 6 0A 33 -32,-2.5 -30,-3.0 -2,-0.5 2,-0.3 -0.909 20.1-160.8-109.6 98.6 101.4 17.5 84.6 38 38 A M E -a 7 0A 40 -2,-0.7 2,-0.4 -32,-0.2 -30,-0.2 -0.635 9.5-173.9 -85.6 137.1 98.4 18.9 86.6 39 39 A N E -a 8 0A 34 -32,-1.9 -30,-2.5 -2,-0.3 2,-0.6 -0.988 21.3-146.6-136.0 141.6 98.6 22.0 88.9 40 40 A D E -a 9 0A 51 -2,-0.4 -30,-0.2 -32,-0.2 -29,-0.1 -0.941 8.1-166.7-103.1 115.0 96.3 23.7 91.3 41 41 A S > - 0 0 0 -32,-2.6 3,-1.5 -2,-0.6 7,-0.3 0.499 28.0-136.3 -81.4 -4.8 97.0 27.5 91.2 42 42 A Q T 3 - 0 0 117 -33,-0.3 -31,-0.2 1,-0.3 -32,-0.1 0.832 60.4 -67.1 51.7 40.0 94.9 28.0 94.4 43 43 A N T 3 S+ 0 0 63 -33,-3.0 2,-0.4 -34,-0.2 -1,-0.3 0.778 109.8 116.1 52.7 35.5 93.2 31.1 92.9 44 44 A D <> - 0 0 66 -3,-1.5 4,-2.1 -34,-0.3 3,-0.2 -0.962 54.1-157.0-133.7 119.1 96.4 33.1 92.9 45 45 A Q H > S+ 0 0 21 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.791 94.7 57.3 -67.0 -29.2 97.9 34.3 89.6 46 46 A S H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.889 107.7 48.9 -66.7 -38.1 101.5 34.6 91.0 47 47 A K H > S+ 0 0 81 -6,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.921 112.2 48.5 -64.0 -44.8 101.3 31.0 92.0 48 48 A Q H X S+ 0 0 0 -4,-2.1 4,-2.1 -7,-0.3 -2,-0.2 0.895 108.1 54.4 -62.2 -39.3 100.1 30.1 88.5 49 49 A N H X S+ 0 0 30 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.899 110.8 45.6 -65.1 -38.7 102.9 32.2 86.9 50 50 A D H X S+ 0 0 99 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.836 109.5 54.9 -70.1 -34.4 105.6 30.3 88.8 51 51 A Q H X S+ 0 0 37 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.875 105.0 54.0 -66.3 -35.3 103.9 27.0 88.0 52 52 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.873 107.0 51.8 -66.8 -34.9 104.1 27.9 84.3 53 53 A D H X S+ 0 0 70 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.933 110.4 47.4 -63.6 -45.2 107.9 28.5 84.7 54 54 A V H X S+ 0 0 74 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.892 111.7 51.1 -63.2 -40.5 108.4 25.1 86.4 55 55 A L H <>S+ 0 0 5 -4,-2.2 5,-1.5 2,-0.2 -2,-0.2 0.906 111.0 47.3 -64.8 -40.4 106.3 23.4 83.6 56 56 A L H ><5S+ 0 0 10 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.888 109.8 54.2 -67.5 -35.1 108.4 25.0 80.9 57 57 A A H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.803 104.5 55.7 -65.2 -30.4 111.6 24.0 82.8 58 58 A K T 3<5S- 0 0 104 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.401 118.9-114.0 -83.6 0.8 110.2 20.4 82.7 59 59 A G T < 5 - 0 0 39 -3,-1.4 -55,-0.3 1,-0.2 -3,-0.2 0.840 44.4-179.0 74.8 36.1 110.0 20.6 78.9 60 60 A V < - 0 0 3 -5,-1.5 -55,-0.2 1,-0.1 -1,-0.2 -0.410 23.1-148.2 -66.4 143.1 106.2 20.4 78.3 61 61 A K S S+ 0 0 110 -57,-3.0 2,-0.3 1,-0.2 -56,-0.2 0.515 79.2 14.1 -89.9 -8.0 105.3 20.5 74.6 62 62 A A E -b 5 0A 0 -58,-0.7 -56,-2.4 23,-0.2 2,-0.4 -0.961 66.2-141.5-162.2 152.0 102.0 22.4 75.2 63 63 A L E -bc 6 87A 0 23,-2.3 25,-2.7 -2,-0.3 2,-0.5 -0.942 3.5-164.3-118.0 136.7 100.3 24.3 78.0 64 64 A A E -bc 7 88A 2 -58,-2.4 -56,-2.2 -2,-0.4 2,-0.5 -0.977 23.3-171.1-121.6 108.2 96.6 24.1 78.8 65 65 A I E -bc 8 89A 0 23,-1.6 25,-2.3 -2,-0.5 2,-0.8 -0.925 24.8-170.2-115.2 118.6 96.0 27.1 81.0 66 66 A N - 0 0 0 -58,-1.8 25,-0.1 -2,-0.5 27,-0.1 -0.907 36.1-136.5-101.9 100.8 92.8 28.0 83.0 67 67 A L - 0 0 0 -2,-0.8 -57,-0.2 23,-0.4 -22,-0.0 -0.178 21.9-159.0 -62.5 145.8 93.7 31.5 84.1 68 68 A V S S+ 0 0 18 1,-0.3 -1,-0.1 -59,-0.1 3,-0.1 0.880 95.2 27.7 -80.4 -55.5 93.1 33.0 87.6 69 69 A D S > S- 0 0 81 1,-0.1 3,-2.0 23,-0.0 -1,-0.3 -0.943 73.7-152.3-108.9 114.9 93.3 36.5 86.2 70 70 A P G > S+ 0 0 40 0, 0.0 3,-1.4 0, 0.0 25,-0.3 0.806 95.8 63.1 -52.6 -33.1 92.2 36.9 82.5 71 71 A A G > S+ 0 0 84 1,-0.3 3,-0.6 2,-0.1 4,-0.3 0.638 88.0 70.7 -69.7 -15.1 94.4 40.0 82.2 72 72 A A G <> + 0 0 10 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.413 66.7 100.4 -80.6 2.6 97.5 37.8 82.8 73 73 A A H <> S+ 0 0 2 -3,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.891 78.9 54.5 -55.8 -38.6 97.1 36.1 79.4 74 74 A G H <> S+ 0 0 33 -3,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.910 106.6 50.5 -59.9 -46.5 99.9 38.4 78.0 75 75 A T H > S+ 0 0 68 -4,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.861 112.7 46.5 -58.3 -41.7 102.3 37.3 80.8 76 76 A V H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 3,-0.3 0.940 109.7 53.9 -70.0 -45.9 101.7 33.6 80.1 77 77 A I H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.868 107.2 50.8 -57.1 -41.7 102.0 34.1 76.3 78 78 A E H X S+ 0 0 103 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.854 108.8 50.9 -70.3 -30.3 105.4 35.7 76.6 79 79 A K H X S+ 0 0 55 -4,-1.3 4,-0.6 -3,-0.3 3,-0.3 0.959 116.2 42.6 -64.0 -48.1 106.7 32.9 78.8 80 80 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.0 1,-0.2 3,-1.1 0.866 105.5 62.0 -65.9 -39.9 105.5 30.4 76.3 81 81 A R H ><5S+ 0 0 83 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.833 95.2 61.3 -60.0 -37.4 106.7 32.2 73.1 82 82 A G H 3<5S+ 0 0 68 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.807 113.0 36.9 -60.4 -30.9 110.3 32.0 74.2 83 83 A Q T <<5S- 0 0 96 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.262 110.0-118.9-105.5 12.1 110.2 28.2 74.0 84 84 A N T < 5 + 0 0 116 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.694 60.1 156.1 56.5 26.6 107.8 28.0 71.0 85 85 A V < - 0 0 8 -5,-2.0 -1,-0.2 -6,-0.1 -23,-0.2 -0.681 40.2-128.3 -87.1 124.7 105.2 26.2 73.2 86 86 A P - 0 0 6 0, 0.0 -23,-2.3 0, 0.0 2,-0.4 -0.330 19.2-150.8 -67.7 148.4 101.5 26.4 72.2 87 87 A V E -cd 63 105A 0 17,-2.7 19,-2.5 -25,-0.2 2,-0.7 -0.985 12.0-168.0-128.7 121.3 99.0 27.5 74.8 88 88 A V E -cd 64 106A 1 -25,-2.7 -23,-1.6 -2,-0.4 19,-0.2 -0.933 17.4-159.9-106.4 101.8 95.3 26.5 74.8 89 89 A F E -cd 65 107A 1 17,-3.0 19,-2.0 -2,-0.7 2,-0.3 -0.581 14.3-169.2 -74.7 145.2 93.7 28.8 77.3 90 90 A F E - d 0 108A 5 -25,-2.3 2,-2.1 17,-0.2 -23,-0.4 -0.992 46.6 -1.7-145.6 155.3 90.3 27.5 78.7 91 91 A N S S+ 0 0 21 17,-1.9 2,-0.7 -2,-0.3 19,-0.2 -0.304 114.0 65.4 68.3 -51.3 87.3 28.5 80.8 92 92 A K S S- 0 0 4 -2,-2.1 -25,-0.4 17,-0.1 -2,-0.1 -0.878 87.2-136.3-102.2 108.9 88.4 32.1 81.5 93 93 A E - 0 0 50 -2,-0.7 2,-0.1 17,-0.1 3,-0.1 -0.407 11.9-147.9 -69.7 121.7 88.5 34.0 78.2 94 94 A P - 0 0 6 0, 0.0 -23,-0.1 0, 0.0 -1,-0.1 -0.365 37.1 -79.7 -73.2 166.1 91.5 36.3 77.5 95 95 A S > - 0 0 65 -25,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.230 35.1-116.7 -64.4 156.8 91.1 39.4 75.3 96 96 A R H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.907 117.4 52.1 -61.0 -42.2 91.0 39.2 71.5 97 97 A K H > S+ 0 0 171 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.895 107.9 51.4 -62.6 -40.6 94.2 41.2 71.3 98 98 A A H >4 S+ 0 0 13 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.940 112.4 45.9 -62.1 -46.9 95.9 38.8 73.8 99 99 A L H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 6,-0.4 0.859 112.7 51.5 -63.8 -34.8 94.8 35.8 71.6 100 100 A D H 3< S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.632 93.2 73.9 -76.5 -16.9 95.9 37.6 68.4 101 101 A S T << S+ 0 0 54 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.2 0.529 100.9 41.2 -75.8 -4.2 99.4 38.4 69.7 102 102 A Y X - 0 0 13 -3,-0.9 3,-1.8 -4,-0.2 -1,-0.2 -0.940 67.6-148.3-149.5 119.5 100.6 34.8 69.4 103 103 A D T 3 S+ 0 0 143 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.701 100.4 53.4 -60.5 -22.7 99.9 32.4 66.5 104 104 A K T 3 S+ 0 0 88 -19,-0.1 -17,-2.7 -27,-0.1 2,-0.5 0.110 83.7 106.1-103.6 22.2 100.0 29.4 68.9 105 105 A A E < +d 87 0A 0 -3,-1.8 2,-0.3 -6,-0.4 -17,-0.2 -0.906 44.0 170.8-104.1 129.1 97.5 30.8 71.4 106 106 A Y E -d 88 0A 38 -19,-2.5 -17,-3.0 -2,-0.5 2,-0.4 -0.843 19.8-143.2-129.2 163.2 94.0 29.2 71.4 107 107 A Y E -de 89 290A 5 182,-2.4 184,-2.3 -2,-0.3 2,-0.5 -0.998 7.3-169.1-138.0 137.2 90.8 29.3 73.6 108 108 A V E +de 90 291A 0 -19,-2.0 -17,-1.9 -2,-0.4 2,-0.2 -0.992 43.3 99.4-123.0 121.2 88.3 26.6 74.6 109 109 A G E - e 0 292A 1 182,-2.7 184,-2.3 -2,-0.5 2,-0.3 -0.637 59.2 -84.2-161.5-141.2 85.2 27.9 76.3 110 110 A T - 0 0 7 182,-0.3 2,-1.0 -2,-0.2 3,-0.1 -0.922 38.4 -96.0-144.6 168.5 81.5 28.9 75.8 111 111 A D >> - 0 0 54 182,-0.3 3,-0.9 -2,-0.3 4,-0.7 -0.846 36.4-159.7 -91.9 101.9 79.4 31.7 74.7 112 112 A S H >> S+ 0 0 17 -2,-1.0 4,-1.0 1,-0.3 3,-0.5 0.810 85.4 61.9 -50.9 -41.3 78.6 33.2 78.1 113 113 A K H >> S+ 0 0 89 1,-0.2 4,-1.8 2,-0.2 3,-0.7 0.889 95.5 63.1 -54.5 -43.3 75.5 35.1 76.8 114 114 A E H <> S+ 0 0 59 -3,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.816 97.1 52.2 -58.4 -42.3 73.8 31.8 75.9 115 115 A S H < S+ 0 0 5 -4,-2.4 3,-0.9 -5,-0.2 6,-0.3 0.943 109.3 45.7 -63.3 -49.8 56.7 30.9 85.7 128 128 A Q H 3< S+ 0 0 114 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.817 113.8 50.3 -63.0 -30.8 53.9 30.6 83.2 129 129 A A H 3< S+ 0 0 74 -4,-1.2 -1,-0.2 1,-0.2 2,-0.2 0.560 114.2 44.4 -84.4 -11.9 53.2 27.0 84.4 130 130 A N X< + 0 0 63 -3,-0.9 3,-2.1 -4,-0.8 4,-0.3 -0.650 57.7 168.9-135.6 78.4 53.1 27.9 88.1 131 131 A Q G > S+ 0 0 104 -3,-0.3 3,-1.4 1,-0.3 6,-0.2 0.726 73.9 74.0 -65.6 -16.2 51.0 31.0 88.6 132 132 A G G 3 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.1 -5,-0.1 0.589 81.8 71.3 -69.4 -12.0 51.1 30.2 92.4 133 133 A W G < S+ 0 0 40 -3,-2.1 2,-1.9 -6,-0.3 -1,-0.3 0.703 75.9 84.8 -73.8 -23.2 54.8 31.4 92.3 134 134 A D X + 0 0 13 -3,-1.4 3,-1.5 -4,-0.3 -1,-0.2 -0.589 64.1 178.1 -80.9 81.8 53.4 34.9 91.8 135 135 A L T 3 S+ 0 0 82 -2,-1.9 -1,-0.2 1,-0.3 69,-0.1 0.794 76.1 37.4 -58.1 -40.2 53.0 35.5 95.6 136 136 A N T 3 S- 0 0 86 4,-0.2 -1,-0.3 67,-0.2 -2,-0.1 0.258 103.0-130.1 -98.2 9.7 51.7 39.0 95.5 137 137 A K < + 0 0 174 -3,-1.5 -2,-0.1 -6,-0.2 -3,-0.1 0.733 68.1 126.4 51.8 32.0 49.7 38.5 92.3 138 138 A D S S- 0 0 66 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.384 75.8-118.6 -97.1 3.4 51.1 41.5 90.3 139 139 A G S S+ 0 0 45 1,-0.2 33,-0.5 -8,-0.1 2,-0.3 0.567 81.6 105.5 74.3 7.6 52.2 39.5 87.2 140 140 A K S S- 0 0 56 31,-0.1 2,-0.6 33,-0.0 -2,-0.3 -0.897 74.2-118.2-115.9 148.1 55.9 40.5 87.7 141 141 A I E -g 173 0B 0 31,-2.5 33,-2.8 -2,-0.3 2,-0.7 -0.768 20.6-159.4 -87.0 120.0 58.7 38.3 89.0 142 142 A Q E +g 174 0B 4 -2,-0.6 63,-2.1 31,-0.2 64,-1.4 -0.907 31.1 168.8 -92.4 115.6 60.1 39.7 92.3 143 143 A Y E -gh 175 206B 11 31,-2.3 33,-3.0 -2,-0.7 34,-0.9 -0.840 36.3-145.7-127.3 164.7 63.5 38.0 92.4 144 144 A V E -gh 177 207B 1 62,-1.8 64,-2.5 -2,-0.3 2,-0.4 -0.938 22.8-149.1-118.2 150.0 66.9 38.0 94.2 145 145 A L E -gh 178 208B 0 32,-1.9 34,-1.8 -2,-0.3 2,-0.7 -0.984 9.3-155.4-130.2 130.4 70.1 37.3 92.3 146 146 A L E -gh 179 209B 0 62,-2.5 64,-2.5 -2,-0.4 65,-0.3 -0.903 23.6-161.3 -99.3 108.7 73.3 35.6 93.4 147 147 A K E -g 180 0B 28 32,-2.3 34,-2.4 -2,-0.7 36,-0.5 -0.575 9.5-133.4 -93.4 150.8 76.1 36.7 91.1 148 148 A G - 0 0 0 1,-0.2 34,-0.4 -2,-0.2 -1,-0.1 0.086 66.0 -27.4 -80.3-154.8 79.5 35.1 90.6 149 149 A E S > S- 0 0 39 32,-0.1 3,-1.2 1,-0.1 -1,-0.2 -0.360 74.6-113.3 -62.3 128.4 82.8 37.1 90.6 150 150 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 30,-0.0 -0.474 102.1 21.9 -65.2 125.7 82.3 40.7 89.5 151 151 A G T 3 S+ 0 0 59 1,-0.4 -2,-0.1 -2,-0.2 5,-0.0 -0.065 89.6 130.1 107.2 -28.8 83.9 41.4 86.2 152 152 A H <> - 0 0 21 -3,-1.2 4,-2.2 1,-0.1 -1,-0.4 -0.376 63.0-129.6 -60.7 127.0 84.0 37.7 85.2 153 153 A P H > S+ 0 0 47 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.825 106.6 44.5 -44.4 -49.0 82.5 37.2 81.6 154 154 A D H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.917 112.8 50.9 -69.2 -41.0 80.1 34.4 82.7 155 155 A A H > S+ 0 0 0 -6,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.865 114.9 42.6 -62.8 -38.4 78.9 36.3 85.8 156 156 A E H X S+ 0 0 68 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.879 116.5 46.2 -78.1 -39.2 78.2 39.5 83.9 157 157 A A H X S+ 0 0 13 -4,-2.1 4,-2.6 -5,-0.3 5,-0.2 0.892 112.9 48.8 -71.4 -39.9 76.5 37.8 80.9 158 158 A R H X S+ 0 0 6 -4,-2.4 4,-1.4 -5,-0.2 5,-0.2 0.858 113.7 48.1 -68.1 -33.6 74.3 35.4 83.0 159 159 A T H X S+ 0 0 19 -4,-1.3 4,-0.9 -5,-0.2 -2,-0.2 0.934 118.3 40.0 -71.3 -44.5 73.2 38.4 85.2 160 160 A T H X S+ 0 0 75 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.962 119.1 42.3 -68.4 -52.8 72.4 40.6 82.2 161 161 A Y H X S+ 0 0 85 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.697 104.0 61.2 -78.5 -19.3 70.8 38.1 79.9 162 162 A V H X S+ 0 0 0 -4,-1.4 4,-1.8 -5,-0.2 -1,-0.2 0.965 114.5 38.0 -67.8 -44.5 68.6 36.1 82.3 163 163 A V H X S+ 0 0 26 -4,-0.9 4,-2.4 -5,-0.2 5,-0.2 0.909 116.0 54.0 -67.8 -42.0 66.6 39.4 83.1 164 164 A K H X S+ 0 0 104 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.912 109.3 47.7 -57.9 -47.0 66.9 40.5 79.4 165 165 A E H X S+ 0 0 30 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.878 110.3 52.0 -64.2 -40.3 65.4 37.3 78.1 166 166 A L H <>S+ 0 0 0 -4,-1.8 5,-2.4 2,-0.2 3,-0.3 0.931 111.6 46.2 -61.6 -46.2 62.5 37.4 80.7 167 167 A N H ><5S+ 0 0 73 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.874 110.7 52.5 -66.1 -37.5 61.6 41.0 79.7 168 168 A D H 3<5S+ 0 0 98 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.780 103.6 58.3 -69.0 -25.6 61.8 40.0 76.0 169 169 A K T 3<5S- 0 0 112 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.429 126.8-104.1 -78.4 -0.6 59.4 37.1 76.8 170 170 A G T < 5S+ 0 0 64 -3,-1.4 2,-0.6 1,-0.3 -3,-0.2 0.615 81.8 130.3 88.0 14.0 56.9 39.8 78.1 171 171 A I < - 0 0 7 -5,-2.4 -1,-0.3 -6,-0.2 2,-0.2 -0.908 49.0-144.7-106.4 117.3 57.6 39.1 81.8 172 172 A Q - 0 0 131 -2,-0.6 -31,-2.5 -33,-0.5 2,-0.3 -0.546 17.5-157.5 -80.2 145.7 58.3 42.1 83.9 173 173 A T E -g 141 0B 31 -33,-0.3 2,-0.4 -2,-0.2 -31,-0.2 -0.926 15.6-162.0-129.6 150.0 60.8 41.8 86.7 174 174 A E E -g 142 0B 74 -33,-2.8 -31,-2.3 -2,-0.3 2,-0.6 -0.974 17.8-142.2-137.1 117.4 61.7 43.6 89.9 175 175 A Q E +g 143 0B 99 -2,-0.4 -31,-0.2 -33,-0.2 3,-0.1 -0.697 19.7 177.6 -80.7 114.4 65.0 43.1 91.5 176 176 A L E S- 0 0 22 -33,-3.0 2,-0.3 -2,-0.6 -32,-0.2 0.834 70.3 -13.5 -83.9 -37.5 64.6 43.0 95.3 177 177 A A E -g 144 0B 15 -34,-0.9 -32,-1.9 -3,-0.1 -1,-0.4 -0.989 54.5-175.5-161.2 157.7 68.3 42.3 95.8 178 178 A L E +g 145 0B 57 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.925 17.6 149.8-156.8 133.8 71.5 41.3 94.1 179 179 A D E -g 146 0B 68 -34,-1.8 -32,-2.3 -2,-0.3 2,-0.3 -0.977 41.9 -99.4-159.9 158.1 75.0 40.6 95.4 180 180 A T E +g 147 0B 34 -2,-0.3 -32,-0.2 -34,-0.2 -31,-0.1 -0.639 23.6 176.4 -83.0 139.0 78.0 38.5 94.7 181 181 A A > - 0 0 0 -34,-2.4 3,-2.2 -2,-0.3 7,-0.3 0.050 49.7-119.7-123.1 18.2 78.7 35.2 96.5 182 182 A M T 3 - 0 0 77 -35,-0.5 -34,-0.2 -34,-0.4 3,-0.1 0.763 62.5 -64.6 50.1 41.3 81.9 34.6 94.4 183 183 A W T 3 S+ 0 0 19 -36,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.523 104.4 133.9 62.9 12.3 80.6 31.2 92.9 184 184 A D <> - 0 0 56 -3,-2.2 4,-1.8 1,-0.1 -1,-0.2 -0.751 55.7-149.1-105.3 136.2 80.7 29.8 96.4 185 185 A T H > S+ 0 0 31 -2,-0.4 4,-2.0 2,-0.2 -1,-0.1 0.909 99.4 46.6 -60.8 -48.9 78.1 27.6 98.3 186 186 A A H > S+ 0 0 60 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.918 112.5 48.6 -64.6 -44.7 78.9 28.9 101.8 187 187 A Q H > S+ 0 0 90 -6,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.844 111.5 51.0 -65.0 -32.9 79.0 32.5 100.8 188 188 A A H X S+ 0 0 0 -4,-1.8 4,-2.6 -7,-0.3 5,-0.2 0.882 105.2 55.8 -71.6 -37.5 75.7 32.2 99.0 189 189 A K H X S+ 0 0 54 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.916 110.0 47.2 -58.4 -44.6 74.0 30.5 102.1 190 190 A D H X S+ 0 0 103 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.861 112.4 47.2 -67.4 -38.5 75.0 33.5 104.2 191 191 A K H X S+ 0 0 53 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.899 114.3 46.8 -70.4 -40.9 73.7 36.1 101.7 192 192 A M H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.884 111.2 53.3 -66.6 -37.6 70.4 34.3 101.2 193 193 A D H < S+ 0 0 53 -4,-2.2 4,-0.5 -5,-0.2 -2,-0.2 0.878 107.7 50.8 -63.1 -40.5 70.2 34.0 105.0 194 194 A A H >< S+ 0 0 47 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.921 111.2 47.8 -62.7 -45.8 70.7 37.7 105.3 195 195 A W H >< S+ 0 0 35 -4,-2.0 3,-1.1 1,-0.3 6,-0.4 0.872 109.2 52.7 -65.0 -38.2 67.9 38.4 102.7 196 196 A L T 3< S+ 0 0 18 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.590 112.1 47.9 -73.0 -9.2 65.5 36.0 104.5 197 197 A S T < S+ 0 0 84 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.313 104.3 79.4-108.5 2.6 66.2 37.9 107.7 198 198 A G S X S- 0 0 28 -3,-1.1 3,-1.2 -4,-0.2 -3,-0.1 -0.398 97.9 -91.2-104.3-179.0 65.7 41.3 106.1 199 199 A P T 3 S+ 0 0 117 0, 0.0 3,-0.4 0, 0.0 4,-0.1 0.719 119.3 58.6 -66.8 -22.8 62.5 43.3 105.2 200 200 A N T >> S+ 0 0 52 1,-0.2 3,-1.8 -5,-0.2 4,-0.8 0.583 75.9 103.1 -82.6 -7.8 62.3 41.9 101.6 201 201 A A T <4 S+ 0 0 18 -3,-1.2 3,-0.5 -6,-0.4 -1,-0.2 0.745 79.0 46.2 -51.1 -39.7 62.0 38.3 102.8 202 202 A N T 34 S+ 0 0 121 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.614 109.7 57.9 -76.9 -15.0 58.2 37.8 102.3 203 203 A K T <4 S+ 0 0 83 -3,-1.8 2,-0.3 -4,-0.1 -1,-0.2 0.630 75.7 113.0 -90.0 -16.7 58.4 39.4 98.9 204 204 A I < + 0 0 2 -4,-0.8 -61,-0.2 -3,-0.5 3,-0.1 -0.399 29.2 162.7 -65.9 121.3 60.9 37.0 97.3 205 205 A E + 0 0 2 -63,-2.1 2,-0.3 1,-0.3 -62,-0.2 0.774 63.2 20.8-105.2 -38.0 59.4 34.9 94.5 206 206 A V E -h 143 0B 0 -64,-1.4 -62,-1.8 24,-0.1 2,-0.5 -0.995 59.8-149.9-137.4 138.3 62.3 33.5 92.6 207 207 A V E -hi 144 232B 0 24,-2.4 26,-2.1 -2,-0.3 2,-0.5 -0.960 17.3-168.8-107.8 123.7 66.0 33.0 93.4 208 208 A I E -hi 145 233B 0 -64,-2.5 -62,-2.5 -2,-0.5 2,-0.4 -0.952 4.4-173.1-113.3 129.4 68.3 33.2 90.4 209 209 A A E -h 146 0B 0 24,-2.0 -62,-0.2 -2,-0.5 3,-0.0 -0.963 30.5-137.7-126.3 144.8 71.9 32.2 90.7 210 210 A N S S+ 0 0 0 -64,-2.5 2,-0.3 -2,-0.4 -63,-0.1 0.672 91.6 13.6 -69.2 -21.5 74.9 32.5 88.2 211 211 A N S > S- 0 0 5 -65,-0.3 4,-1.7 22,-0.1 25,-0.2 -0.970 76.3-111.5-148.3 170.5 75.9 28.9 89.1 212 212 A D H > S+ 0 0 0 23,-2.0 4,-2.5 -2,-0.3 5,-0.2 0.815 110.0 62.2 -70.5 -32.8 74.7 25.8 90.9 213 213 A A H > S+ 0 0 0 22,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.949 109.6 41.3 -59.4 -47.7 77.2 26.0 93.8 214 214 A M H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 3,-0.3 0.891 112.3 56.1 -65.8 -38.5 75.6 29.3 94.9 215 215 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.887 104.2 54.2 -57.3 -40.0 72.1 27.9 94.1 216 216 A M H X S+ 0 0 24 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.810 107.1 50.4 -65.7 -31.5 72.9 25.0 96.5 217 217 A G H X S+ 0 0 0 -4,-1.2 4,-1.8 -3,-0.3 -1,-0.2 0.844 109.4 50.5 -74.4 -35.0 73.8 27.5 99.3 218 218 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.925 107.1 54.8 -67.7 -40.6 70.5 29.4 98.7 219 219 A V H X S+ 0 0 11 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.857 107.7 50.7 -60.0 -37.5 68.6 26.0 98.9 220 220 A E H X S+ 0 0 106 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.922 110.4 47.1 -67.1 -43.6 70.2 25.4 102.3 221 221 A A H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.916 112.3 50.8 -64.3 -40.1 69.2 28.9 103.7 222 222 A L H <>S+ 0 0 3 -4,-2.5 5,-3.1 1,-0.2 6,-0.3 0.848 108.3 53.0 -65.1 -34.0 65.6 28.4 102.3 223 223 A K H ><5S+ 0 0 129 -4,-1.8 3,-1.1 1,-0.2 -1,-0.2 0.900 108.4 50.1 -64.2 -43.9 65.4 25.0 104.1 224 224 A A H 3<5S+ 0 0 71 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.794 112.6 45.6 -67.1 -32.4 66.4 26.6 107.3 225 225 A H T 3<5S- 0 0 66 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.311 113.0-118.3 -92.0 7.2 63.8 29.3 107.1 226 226 A N T < 5S+ 0 0 143 -3,-1.1 -3,-0.2 -5,-0.1 3,-0.1 0.824 80.9 124.6 51.6 39.0 61.2 26.7 106.0 227 227 A K > < + 0 0 60 -5,-3.1 3,-2.0 -6,-0.2 -4,-0.2 -0.111 18.0 135.1-111.7 29.2 60.9 28.5 102.7 228 228 A S T 3 + 0 0 89 -6,-0.3 -1,-0.1 1,-0.3 -5,-0.1 0.571 58.0 72.8 -61.9 -8.8 61.6 25.5 100.6 229 229 A S T 3 S+ 0 0 96 -3,-0.1 -1,-0.3 -7,-0.1 -2,-0.1 0.571 70.7 102.6 -81.3 -9.6 58.7 26.3 98.2 230 230 A I S < S- 0 0 7 -3,-2.0 2,-0.2 -8,-0.1 -24,-0.1 -0.652 79.2-123.1 -73.1 122.1 60.7 29.3 96.7 231 231 A P - 0 0 11 0, 0.0 -24,-2.4 0, 0.0 2,-0.4 -0.485 23.7-158.4 -69.6 136.7 62.1 28.0 93.2 232 232 A V E -i 207 0B 0 17,-0.3 19,-2.2 -2,-0.2 20,-0.9 -0.960 5.0-166.7-118.1 133.3 65.8 28.2 92.7 233 233 A F E +ij 208 252B 0 -26,-2.1 -24,-2.0 -2,-0.4 20,-0.2 -0.953 13.7 168.7-119.0 138.9 67.5 28.3 89.3 234 234 A G - 0 0 0 18,-1.9 2,-0.3 -2,-0.4 -22,-0.2 -0.595 27.0-119.6-130.4-166.7 71.2 27.7 88.7 235 235 A V S S+ 0 0 0 18,-0.2 -23,-2.0 -2,-0.2 -22,-0.2 -0.979 77.3 44.4-145.3 132.0 73.7 27.1 85.9 236 236 A D B S-k 255 0C 9 18,-3.3 20,-1.7 -2,-0.3 22,-0.2 -0.181 80.3-122.2 135.6 -26.1 76.2 24.1 85.3 237 237 A A - 0 0 11 18,-0.2 -1,-0.1 1,-0.1 18,-0.1 0.923 38.3-173.2 51.9 52.9 74.2 20.9 85.9 238 238 A L >> - 0 0 5 1,-0.1 4,-2.2 -3,-0.1 3,-0.7 -0.471 35.7-112.8 -63.8 144.0 76.5 19.7 88.6 239 239 A P H 3> S+ 0 0 74 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.845 119.0 50.5 -50.0 -37.2 75.5 16.1 89.7 240 240 A E H 3> S+ 0 0 112 1,-0.2 4,-0.9 2,-0.2 -2,-0.0 0.828 110.6 48.8 -72.9 -33.9 74.5 17.3 93.1 241 241 A A H <> S+ 0 0 0 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