==== 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 13-MAY-93 1GCA . COMPND 2 MOLECULE: GLUCOSE/GALACTOSE-BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR J.-Y.ZOU,S.L.MOWBRAY . 309 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13314.0 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 . 1 0.3 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 . 22 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 35.3 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 0 1 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 0 116 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -29.9 106.9 8.7 73.7 2 2 A D + 0 0 141 2,-0.1 2,-0.8 32,-0.0 32,-0.2 -0.499 360.0 168.3 -99.5 55.5 107.5 11.1 76.6 3 3 A T E -a 34 0A 20 30,-1.9 32,-3.0 -2,-0.2 2,-0.5 -0.674 20.1-160.4 -67.9 110.0 105.1 13.9 75.3 4 4 A R E -a 35 0A 94 -2,-0.8 57,-2.7 55,-0.3 58,-0.8 -0.843 12.7-175.5 -95.4 122.8 104.9 16.1 78.4 5 5 A I E -ab 36 62A 2 30,-2.5 32,-2.6 -2,-0.5 2,-0.4 -0.973 15.4-145.4-118.6 129.4 102.0 18.6 78.7 6 6 A G E -ab 37 63A 0 56,-2.2 58,-2.7 -2,-0.4 2,-0.4 -0.830 16.7-169.4 -95.1 134.0 101.9 21.0 81.7 7 7 A V E -ab 38 64A 2 30,-3.0 32,-1.7 -2,-0.4 2,-0.4 -0.977 7.6-168.1-127.1 128.8 98.4 21.8 83.1 8 8 A T E -ab 39 65A 0 56,-2.0 58,-1.7 -2,-0.4 2,-0.4 -0.971 4.4-162.5-116.2 136.5 97.5 24.6 85.7 9 9 A I E -a 40 0A 0 30,-2.4 32,-2.7 -2,-0.4 33,-0.3 -0.972 21.4-134.7-110.5 133.3 94.1 24.7 87.3 10 10 A Y S S- 0 0 2 -2,-0.4 33,-2.9 1,-0.3 34,-0.4 0.823 88.3 -4.4 -66.2 -28.6 93.3 28.0 88.9 11 11 A K > - 0 0 37 31,-0.2 3,-1.6 30,-0.2 -1,-0.3 -0.830 62.1-148.3-163.7 118.9 92.0 26.5 92.1 12 12 A Y T 3 S+ 0 0 54 1,-0.3 9,-0.1 -3,-0.3 -2,-0.1 0.767 95.7 53.9 -68.1 -29.1 91.6 22.8 92.7 13 13 A D T 3 S+ 0 0 121 4,-0.1 2,-0.4 5,-0.1 -1,-0.3 0.354 71.2 117.4 -92.5 13.3 88.6 23.0 95.0 14 14 A D <> - 0 0 14 -3,-1.6 4,-2.0 1,-0.1 5,-0.2 -0.633 69.8-133.3 -66.0 129.6 86.4 25.1 92.6 15 15 A N H > S+ 0 0 55 -2,-0.4 4,-1.0 168,-0.3 -1,-0.1 0.906 98.8 40.5 -58.1 -47.8 83.5 22.6 92.1 16 16 A F H >> S+ 0 0 10 2,-0.2 4,-2.1 1,-0.2 3,-0.9 0.939 114.4 51.4 -70.3 -44.7 83.2 22.8 88.3 17 17 A M H 3> S+ 0 0 1 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.814 103.3 61.9 -66.8 -22.4 87.1 22.9 87.6 18 18 A S H 3X S+ 0 0 24 -4,-2.0 4,-1.8 2,-0.2 -1,-0.3 0.886 105.2 45.7 -64.3 -38.6 87.3 19.8 89.8 19 19 A V H < S+ 0 0 8 -4,-2.5 3,-0.9 1,-0.2 6,-0.3 0.873 108.2 51.3 -69.0 -41.7 95.8 11.6 79.9 29 29 A K H 3< S+ 0 0 174 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.834 109.3 55.1 -60.4 -31.4 95.7 8.1 81.6 30 30 A S T 3< S+ 0 0 97 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.564 93.8 71.0 -76.4 -16.7 94.0 6.8 78.4 31 31 A A S X S- 0 0 16 -3,-0.9 3,-1.5 -4,-0.4 -1,-0.1 -0.933 70.8-156.0-109.3 106.3 96.6 8.0 75.9 32 32 A P T 3 S+ 0 0 134 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.745 87.6 52.8 -61.6 -20.4 99.8 5.8 76.4 33 33 A D T 3 S+ 0 0 53 -31,-0.1 -30,-1.9 2,-0.0 2,-0.4 0.412 93.8 83.5 -97.2 3.8 102.2 8.4 75.0 34 34 A V E < -a 3 0A 19 -3,-1.5 2,-0.5 -6,-0.3 -30,-0.2 -0.868 51.2-167.4-114.2 135.9 101.3 11.5 77.1 35 35 A Q E -a 4 0A 92 -32,-3.0 -30,-2.5 -2,-0.4 2,-0.4 -0.983 14.4-156.1-119.0 121.0 102.4 12.5 80.6 36 36 A L E -a 5 0A 33 -2,-0.5 2,-0.6 -32,-0.2 -30,-0.2 -0.786 4.9-157.1 -96.1 133.4 100.4 15.3 82.2 37 37 A L E -a 6 0A 31 -32,-2.6 -30,-3.0 -2,-0.4 2,-0.3 -0.934 19.2-161.7-110.8 105.8 102.0 17.4 84.8 38 38 A M E -a 7 0A 42 -2,-0.6 2,-0.4 -32,-0.2 -30,-0.2 -0.678 8.7-174.2 -94.0 135.6 99.0 18.9 86.9 39 39 A N E -a 8 0A 44 -32,-1.7 -30,-2.4 -2,-0.3 2,-0.6 -0.994 21.1-143.2-133.2 142.7 99.3 21.9 89.2 40 40 A D E -a 9 0A 50 -2,-0.4 -30,-0.2 -32,-0.2 -29,-0.1 -0.904 8.8-166.1 -98.8 114.7 97.0 23.7 91.6 41 41 A S > - 0 0 0 -32,-2.7 3,-1.3 -2,-0.6 7,-0.3 0.532 27.0-137.4 -79.5 -7.0 97.5 27.4 91.5 42 42 A Q T 3 - 0 0 116 -33,-0.3 -31,-0.2 1,-0.3 -32,-0.1 0.842 60.0 -66.5 55.4 37.9 95.5 27.9 94.7 43 43 A N T 3 S+ 0 0 71 -33,-2.9 2,-0.4 -34,-0.2 -1,-0.3 0.802 108.8 117.7 57.1 33.3 93.7 31.0 93.3 44 44 A D <> - 0 0 61 -3,-1.3 4,-2.0 -34,-0.4 3,-0.2 -0.938 53.1-158.3-130.1 117.4 96.9 33.0 93.2 45 45 A Q H > S+ 0 0 23 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.877 95.3 55.0 -66.7 -29.2 98.3 34.3 89.8 46 46 A S H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 107.8 50.4 -66.5 -39.8 101.9 34.7 91.2 47 47 A K H > S+ 0 0 77 -3,-0.2 4,-1.9 -6,-0.2 -1,-0.2 0.903 110.7 49.3 -60.0 -44.0 101.8 31.1 92.3 48 48 A Q H X S+ 0 0 0 -4,-2.0 4,-2.1 -7,-0.3 -2,-0.2 0.900 107.1 54.7 -61.6 -42.0 100.6 30.2 88.8 49 49 A N H X S+ 0 0 32 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.928 109.9 46.7 -60.3 -42.8 103.4 32.3 87.1 50 50 A D H X S+ 0 0 101 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.859 109.5 54.1 -64.6 -38.2 106.1 30.4 89.1 51 51 A Q H X S+ 0 0 37 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.862 105.9 53.0 -64.2 -40.8 104.5 27.1 88.3 52 52 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.911 107.1 52.1 -64.1 -42.3 104.6 27.9 84.5 53 53 A D H X S+ 0 0 73 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.933 111.1 47.4 -57.2 -44.1 108.4 28.7 84.9 54 54 A V H X S+ 0 0 75 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.895 110.5 51.9 -63.3 -40.4 108.9 25.2 86.5 55 55 A L H <>S+ 0 0 5 -4,-2.0 5,-1.6 2,-0.2 -1,-0.2 0.918 110.8 47.5 -63.8 -42.3 106.9 23.5 83.8 56 56 A L H ><5S+ 0 0 10 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.950 108.9 54.2 -66.6 -38.5 109.0 25.1 81.1 57 57 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.806 104.9 56.4 -62.8 -29.2 112.2 24.1 83.0 58 58 A K T 3<5S- 0 0 105 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.372 119.3-111.8 -84.3 2.7 110.9 20.5 82.9 59 59 A G T < 5 + 0 0 36 -3,-2.1 -55,-0.3 1,-0.2 -3,-0.2 0.788 46.6 177.4 79.7 27.9 110.6 20.5 79.1 60 60 A V < - 0 0 3 -5,-1.6 -55,-0.2 1,-0.1 -1,-0.2 -0.399 23.6-149.5 -63.6 145.5 106.8 20.4 78.5 61 61 A K S S+ 0 0 123 -57,-2.7 2,-0.3 1,-0.2 -56,-0.2 0.531 78.8 14.6 -91.4 -13.7 105.9 20.6 74.8 62 62 A A E -b 5 0A 0 -58,-0.8 -56,-2.2 23,-0.2 2,-0.4 -0.970 66.4-143.3-156.3 152.2 102.5 22.4 75.4 63 63 A L E -bc 6 87A 0 23,-2.2 25,-2.8 -2,-0.3 2,-0.6 -0.977 3.6-164.4-116.1 135.4 100.8 24.2 78.3 64 64 A A E -bc 7 88A 3 -58,-2.7 -56,-2.0 -2,-0.4 2,-0.5 -0.985 23.5-170.9-119.7 113.9 97.1 24.0 79.0 65 65 A I E -bc 8 89A 0 23,-2.2 25,-2.1 -2,-0.6 2,-0.9 -0.929 26.5-167.8-117.2 121.5 96.5 27.0 81.4 66 66 A N - 0 0 0 -58,-1.7 25,-0.1 -2,-0.5 23,-0.1 -0.892 36.0-137.3-104.3 102.6 93.3 27.9 83.3 67 67 A L - 0 0 1 -2,-0.9 -57,-0.2 25,-0.3 -22,-0.1 -0.205 17.7-154.0 -60.2 146.1 94.2 31.4 84.4 68 68 A V S S+ 0 0 19 1,-0.3 -1,-0.1 -59,-0.1 3,-0.1 0.907 96.4 28.2 -77.7 -53.6 93.6 32.8 87.9 69 69 A D S > S- 0 0 76 1,-0.1 3,-2.6 -3,-0.0 -1,-0.3 -0.920 73.7-150.6-109.4 115.8 93.4 36.3 86.5 70 70 A P G > S+ 0 0 32 0, 0.0 3,-1.1 0, 0.0 25,-0.4 0.758 97.5 64.4 -52.7 -28.1 92.3 36.7 82.8 71 71 A A G 3 S+ 0 0 87 1,-0.2 3,-0.4 2,-0.1 4,-0.2 0.544 87.5 69.5 -74.4 -10.2 94.5 39.8 82.5 72 72 A A G <> + 0 0 9 -3,-2.6 4,-1.9 1,-0.2 3,-0.4 0.410 65.1 104.3 -88.4 4.0 97.7 37.7 83.1 73 73 A A H <> S+ 0 0 1 -3,-1.1 4,-2.6 1,-0.2 3,-0.4 0.928 78.2 53.4 -50.6 -45.9 97.3 36.1 79.6 74 74 A G H > S+ 0 0 31 -3,-0.4 4,-2.3 1,-0.3 -1,-0.2 0.852 105.9 51.8 -62.1 -38.9 100.2 38.3 78.3 75 75 A T H > S+ 0 0 71 -3,-0.4 4,-1.6 -4,-0.2 -1,-0.3 0.886 112.6 46.1 -63.2 -39.8 102.6 37.3 81.0 76 76 A V H X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.4 -2,-0.2 0.931 111.1 51.8 -70.1 -46.2 102.0 33.6 80.3 77 77 A I H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.891 107.7 53.1 -58.7 -41.7 102.3 34.1 76.5 78 78 A E H X S+ 0 0 99 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.915 109.0 49.0 -66.8 -32.1 105.6 35.8 77.0 79 79 A K H X S+ 0 0 58 -4,-1.6 4,-0.7 1,-0.2 -2,-0.2 0.937 116.8 42.0 -64.9 -48.2 106.9 32.9 79.1 80 80 A A H ><>S+ 0 0 0 -4,-2.4 5,-2.2 1,-0.2 3,-0.8 0.880 107.2 60.2 -64.5 -44.1 105.8 30.4 76.5 81 81 A R H ><5S+ 0 0 83 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.866 96.4 62.7 -51.3 -45.2 106.9 32.5 73.3 82 82 A G H 3<5S+ 0 0 66 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.823 115.2 31.5 -52.0 -39.6 110.6 32.4 74.6 83 83 A Q T <<5S- 0 0 106 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.269 108.8-119.3-104.7 13.2 110.6 28.6 74.3 84 84 A N T < 5 + 0 0 110 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.813 59.2 154.5 50.4 39.1 108.2 28.3 71.4 85 85 A V < - 0 0 10 -5,-2.2 -1,-0.2 -6,-0.1 -23,-0.2 -0.809 43.1-123.6 -96.2 130.3 105.7 26.3 73.5 86 86 A P - 0 0 6 0, 0.0 -23,-2.2 0, 0.0 2,-0.4 -0.455 21.8-149.9 -70.3 147.8 102.0 26.4 72.4 87 87 A V E -cd 63 105A 0 17,-2.3 19,-2.4 -25,-0.2 2,-0.7 -0.986 10.6-166.8-124.0 124.8 99.5 27.5 75.1 88 88 A V E -cd 64 106A 1 -25,-2.8 -23,-2.2 -2,-0.4 2,-0.3 -0.945 14.9-159.9-108.5 104.8 95.9 26.4 75.2 89 89 A F E -cd 65 107A 1 17,-2.9 19,-2.6 -2,-0.7 2,-0.3 -0.622 14.0-168.7 -77.3 142.8 94.0 28.7 77.6 90 90 A F E - d 0 108A 4 -25,-2.1 2,-1.8 -2,-0.3 -23,-0.3 -0.995 47.8 -6.9-144.4 147.4 90.8 27.2 79.0 91 91 A N S S+ 0 0 13 17,-1.9 2,-0.7 -2,-0.3 63,-0.2 -0.170 113.6 68.7 70.9 -37.9 87.6 28.3 81.0 92 92 A K S S- 0 0 3 -2,-1.8 -25,-0.3 16,-0.1 -2,-0.1 -0.916 86.2-138.8-106.2 109.6 88.8 31.9 81.9 93 93 A E - 0 0 41 -2,-0.7 3,-0.1 -27,-0.1 2,-0.1 -0.472 11.6-148.5 -75.8 121.6 88.8 33.7 78.6 94 94 A P - 0 0 6 0, 0.0 -23,-0.1 0, 0.0 -1,-0.0 -0.358 35.6 -79.4 -76.4 168.8 91.7 36.2 77.8 95 95 A S > - 0 0 72 -25,-0.4 4,-2.3 1,-0.1 5,-0.1 -0.294 34.9-119.4 -67.5 154.4 91.4 39.3 75.7 96 96 A R H > S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.848 114.2 55.7 -62.7 -37.4 91.3 39.0 72.0 97 97 A K H > S+ 0 0 177 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.905 108.0 48.8 -66.2 -41.1 94.5 41.2 71.7 98 98 A A H >4 S+ 0 0 15 2,-0.2 3,-0.8 1,-0.2 4,-0.2 0.943 112.4 48.3 -64.3 -43.6 96.3 38.9 74.1 99 99 A L H >< S+ 0 0 1 -4,-2.3 3,-0.9 1,-0.2 6,-0.4 0.895 112.3 49.3 -61.9 -37.2 95.2 35.8 72.0 100 100 A D H 3< S+ 0 0 84 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.644 94.0 75.9 -75.4 -15.5 96.2 37.5 68.7 101 101 A S T << S+ 0 0 52 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.2 0.511 100.2 38.0 -76.6 -2.9 99.6 38.4 70.0 102 102 A Y X - 0 0 9 -3,-0.9 3,-1.6 -4,-0.2 -1,-0.1 -0.963 69.4-145.4-148.5 124.9 101.0 34.9 69.7 103 103 A D T 3 S+ 0 0 134 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.625 100.2 53.1 -72.1 -11.3 100.3 32.4 66.9 104 104 A K T 3 S+ 0 0 78 -19,-0.1 -17,-2.3 -27,-0.1 2,-0.5 0.139 83.4 107.0-107.3 19.8 100.4 29.4 69.1 105 105 A A E < +d 87 0A 0 -3,-1.6 2,-0.3 -6,-0.4 -17,-0.2 -0.875 43.5 168.2 -96.4 128.9 97.9 30.7 71.7 106 106 A Y E -d 88 0A 39 -19,-2.4 -17,-2.9 -2,-0.5 2,-0.4 -0.859 20.6-145.0-130.8 165.4 94.4 29.0 71.6 107 107 A Y E -de 89 290A 6 182,-2.3 184,-2.6 -2,-0.3 2,-0.5 -0.990 6.5-166.6-139.4 136.8 91.4 29.1 73.9 108 108 A V E +de 90 291A 0 -19,-2.6 -17,-1.9 -2,-0.4 2,-0.2 -0.972 43.6 98.9-118.4 126.1 88.8 26.4 74.8 109 109 A G E - e 0 292A 0 182,-2.7 184,-2.7 -2,-0.5 2,-0.3 -0.663 62.0 -80.2-166.9-136.7 85.7 27.6 76.5 110 110 A T - 0 0 5 182,-0.3 2,-0.9 -2,-0.2 3,-0.1 -0.867 41.6 -94.1-146.6 166.9 82.0 28.4 75.9 111 111 A D >> - 0 0 56 182,-0.5 3,-0.9 -2,-0.3 4,-0.8 -0.866 39.8-158.2 -90.6 106.3 80.0 31.3 74.6 112 112 A S H >> S+ 0 0 14 -2,-0.9 3,-1.1 1,-0.3 4,-1.1 0.868 84.3 59.5 -57.1 -45.0 79.2 32.9 78.0 113 113 A K H 3> S+ 0 0 86 1,-0.3 4,-2.3 2,-0.2 3,-0.4 0.848 96.4 63.9 -51.9 -40.3 76.2 34.9 76.8 114 114 A E H <> S+ 0 0 62 -3,-0.9 4,-2.5 1,-0.2 -1,-0.3 0.862 98.0 53.3 -59.6 -36.2 74.4 31.6 75.8 115 115 A S H < S+ 0 0 18 -4,-2.8 3,-1.2 2,-0.2 6,-0.2 0.962 109.1 47.8 -64.3 -51.8 57.5 31.1 86.0 128 128 A Q H 3< S+ 0 0 119 -4,-2.4 3,-0.3 1,-0.3 -2,-0.2 0.893 113.9 48.5 -55.5 -41.0 54.7 30.8 83.4 129 129 A A H 3< S+ 0 0 76 -4,-1.6 2,-0.3 1,-0.2 -1,-0.3 0.611 113.1 47.5 -70.2 -18.6 54.0 27.2 84.7 130 130 A N X< + 0 0 63 -3,-1.2 3,-2.2 -4,-0.9 4,-0.3 -0.676 57.9 170.9-130.4 77.1 53.9 28.2 88.4 131 131 A Q G > S+ 0 0 175 -2,-0.3 3,-1.5 -3,-0.3 6,-0.2 0.799 74.7 69.4 -62.8 -23.0 51.7 31.2 88.9 132 132 A G G 3 S+ 0 0 65 1,-0.3 -1,-0.3 5,-0.0 5,-0.1 0.626 81.0 74.9 -69.5 -9.4 52.0 30.8 92.7 133 133 A W G < S+ 0 0 40 -3,-2.2 2,-1.9 -6,-0.2 -1,-0.3 0.711 75.2 84.6 -75.7 -18.8 55.7 31.7 92.6 134 134 A D X + 0 0 24 -3,-1.5 3,-2.2 -4,-0.3 -1,-0.2 -0.550 65.0 179.1 -83.0 78.8 54.4 35.3 92.1 135 135 A L T 3 S+ 0 0 83 -2,-1.9 -1,-0.2 1,-0.3 69,-0.1 0.819 77.4 37.1 -53.3 -45.0 54.0 35.8 95.9 136 136 A N T 3 S- 0 0 87 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.249 102.3-130.5 -95.3 13.1 52.8 39.4 95.7 137 137 A K < + 0 0 180 -3,-2.2 -2,-0.1 -6,-0.2 -3,-0.1 0.745 66.8 128.0 49.2 32.5 50.7 38.8 92.5 138 138 A D S S- 0 0 63 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.440 76.3-117.1 -95.5 5.1 52.1 41.9 90.6 139 139 A G S S+ 0 0 47 1,-0.2 33,-0.4 -8,-0.1 2,-0.3 0.390 82.9 106.0 78.0 -5.5 53.1 40.0 87.4 140 140 A K S S- 0 0 68 31,-0.1 2,-0.6 33,-0.0 -2,-0.3 -0.753 73.4-121.2-107.2 148.6 56.8 40.8 88.0 141 141 A I E -g 173 0B 0 31,-2.5 33,-2.6 -2,-0.3 2,-0.7 -0.836 20.6-159.5 -88.9 120.7 59.6 38.6 89.2 142 142 A Q E +g 174 0B 2 -2,-0.6 63,-2.1 31,-0.2 64,-1.4 -0.883 30.7 168.1 -94.6 118.3 61.2 40.0 92.4 143 143 A Y E -gh 175 206B 10 31,-2.5 33,-3.2 -2,-0.7 34,-0.8 -0.859 37.1-143.8-132.7 163.8 64.6 38.3 92.5 144 144 A V E -gh 177 207B 2 62,-1.7 64,-2.5 -2,-0.3 2,-0.4 -0.945 22.8-148.9-115.7 151.7 68.0 38.2 94.2 145 145 A L E -gh 178 208B 1 32,-2.4 34,-2.0 -2,-0.3 2,-0.6 -0.977 8.4-156.6-130.9 131.1 71.1 37.4 92.2 146 146 A L E -gh 179 209B 0 62,-2.3 64,-2.6 -2,-0.4 2,-0.2 -0.941 23.6-157.5-103.2 111.3 74.3 35.7 93.3 147 147 A K E -g 180 0B 29 32,-2.5 34,-2.4 -2,-0.6 35,-0.5 -0.611 8.0-131.9 -93.7 148.2 77.1 36.8 91.0 148 148 A G - 0 0 0 -2,-0.2 34,-0.4 1,-0.2 -1,-0.1 0.147 64.7 -33.2 -78.0-159.3 80.5 35.0 90.3 149 149 A E S > S- 0 0 32 32,-0.1 3,-1.9 1,-0.1 7,-0.3 -0.418 74.3-107.6 -61.8 130.4 83.9 36.8 90.3 150 150 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 -0.367 104.7 18.8 -55.4 131.5 83.6 40.4 89.1 151 151 A G T 3 S+ 0 0 55 1,-0.3 -2,-0.1 2,-0.1 3,-0.0 0.198 87.9 132.2 88.8 -14.6 85.1 40.8 85.6 152 152 A H <> - 0 0 12 -3,-1.9 4,-2.7 1,-0.1 -1,-0.3 -0.549 62.6-130.1 -70.5 130.6 84.9 37.0 84.8 153 153 A P H > S+ 0 0 39 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.840 107.0 46.7 -48.4 -40.9 83.4 36.6 81.3 154 154 A D H > S+ 0 0 8 2,-0.2 4,-2.4 -63,-0.2 5,-0.2 0.920 111.8 49.0 -72.5 -40.0 80.9 34.0 82.6 155 155 A A H > S+ 0 0 0 -6,-0.2 4,-2.0 2,-0.2 5,-0.2 0.965 115.8 44.2 -62.7 -47.4 79.8 36.0 85.7 156 156 A E H X S+ 0 0 69 -4,-2.7 4,-2.1 -7,-0.3 5,-0.2 0.939 117.0 43.0 -67.8 -44.6 79.3 39.2 83.6 157 157 A A H X S+ 0 0 15 -4,-1.9 4,-2.6 -5,-0.3 5,-0.2 0.892 114.2 50.2 -68.7 -42.2 77.4 37.6 80.7 158 158 A R H X S+ 0 0 4 -4,-2.4 4,-1.4 -5,-0.2 -1,-0.2 0.873 112.6 47.8 -62.1 -39.3 75.2 35.3 83.0 159 159 A T H X S+ 0 0 21 -4,-2.0 4,-0.9 -5,-0.2 -2,-0.2 0.923 117.9 41.3 -67.1 -46.8 74.2 38.3 85.2 160 160 A T H X S+ 0 0 74 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.950 119.2 40.6 -65.8 -52.5 73.4 40.6 82.1 161 161 A Y H X S+ 0 0 77 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.651 102.3 64.2 -82.4 -18.9 71.6 38.1 79.9 162 162 A V H X S+ 0 0 0 -4,-1.4 4,-1.5 -5,-0.2 -1,-0.2 0.947 115.0 36.5 -66.2 -41.5 69.5 36.1 82.4 163 163 A V H X S+ 0 0 26 -4,-0.9 4,-2.7 2,-0.2 5,-0.2 0.910 115.9 53.3 -73.6 -46.4 67.6 39.4 83.1 164 164 A K H X S+ 0 0 105 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.943 111.0 48.4 -54.6 -45.8 67.8 40.7 79.4 165 165 A E H X S+ 0 0 29 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.865 109.4 51.0 -62.3 -41.4 66.2 37.4 78.3 166 166 A L H <>S+ 0 0 0 -4,-1.5 5,-2.4 2,-0.2 3,-0.3 0.953 112.3 47.7 -62.3 -47.5 63.4 37.5 80.9 167 167 A N H ><5S+ 0 0 75 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.901 110.9 50.8 -64.4 -36.0 62.6 41.0 79.7 168 168 A D H 3<5S+ 0 0 98 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.808 104.9 56.2 -70.3 -28.6 62.6 40.0 76.1 169 169 A K T 3<5S- 0 0 127 -4,-1.8 -1,-0.3 -3,-0.3 -2,-0.2 0.354 127.5-103.6 -79.0 7.1 60.3 37.0 76.8 170 170 A G T < 5S+ 0 0 63 -3,-1.4 2,-0.6 1,-0.2 -3,-0.2 0.647 80.6 130.4 85.2 17.0 57.9 39.8 78.2 171 171 A I < - 0 0 9 -5,-2.4 -1,-0.2 -6,-0.1 2,-0.2 -0.907 47.7-144.7-110.9 116.7 58.5 39.2 82.0 172 172 A Q - 0 0 130 -2,-0.6 -31,-2.5 -33,-0.4 2,-0.3 -0.527 18.7-160.2 -80.7 152.4 59.3 42.3 84.0 173 173 A T E -g 141 0B 32 -33,-0.3 2,-0.4 -2,-0.2 -31,-0.2 -0.913 17.4-159.2-136.8 151.7 61.8 42.0 86.8 174 174 A E E -g 142 0B 79 -33,-2.6 -31,-2.5 -2,-0.3 2,-0.6 -0.947 18.7-141.4-141.0 117.3 62.8 43.8 90.0 175 175 A Q E -g 143 0B 102 -2,-0.4 -31,-0.2 -33,-0.2 3,-0.1 -0.665 18.5-180.0 -79.8 117.7 66.1 43.2 91.5 176 176 A L E - 0 0 22 -33,-3.2 2,-0.3 -2,-0.6 -32,-0.2 0.824 69.9 -13.9 -86.8 -34.4 65.8 43.1 95.3 177 177 A A E -g 144 0B 20 -34,-0.8 -32,-2.4 2,-0.0 -1,-0.4 -0.963 54.5-170.9-166.1 154.8 69.6 42.5 95.8 178 178 A L E +g 145 0B 62 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.973 18.6 152.7-150.3 130.1 72.7 41.4 94.0 179 179 A D E -g 146 0B 64 -34,-2.0 -32,-2.5 -2,-0.3 2,-0.3 -0.989 40.1-103.7-154.1 160.9 76.1 40.6 95.3 180 180 A T E +g 147 0B 30 -2,-0.3 -32,-0.2 -34,-0.2 -31,-0.1 -0.683 23.4 176.3 -87.1 139.6 79.1 38.5 94.5 181 181 A A > - 0 0 0 -34,-2.4 3,-2.5 -2,-0.3 7,-0.3 0.043 47.1-121.0-123.5 20.7 79.8 35.2 96.3 182 182 A M T 3 - 0 0 73 -35,-0.5 -34,-0.2 -34,-0.4 3,-0.1 0.765 63.2 -65.6 51.0 37.7 83.0 34.4 94.2 183 183 A W T 3 S+ 0 0 16 -36,-0.4 2,-0.4 1,-0.2 -1,-0.3 0.457 104.3 133.1 65.2 8.4 81.6 31.1 92.8 184 184 A D <> - 0 0 53 -3,-2.5 4,-1.8 1,-0.1 -1,-0.2 -0.729 56.2-147.7-104.9 136.6 81.7 29.7 96.4 185 185 A T H > S+ 0 0 28 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.928 98.2 46.6 -61.3 -51.7 79.1 27.7 98.3 186 186 A A H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.891 112.1 49.2 -64.9 -41.1 79.9 29.0 101.8 187 187 A Q H > S+ 0 0 83 -6,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.864 111.8 50.2 -63.1 -39.0 80.0 32.7 100.8 188 188 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 -7,-0.3 5,-0.2 0.889 107.3 54.4 -65.1 -41.8 76.7 32.3 98.9 189 189 A K H X S+ 0 0 84 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.941 110.6 47.4 -58.3 -44.9 75.1 30.7 102.1 190 190 A D H X S+ 0 0 111 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.885 112.2 47.1 -64.7 -40.9 76.2 33.7 104.1 191 191 A K H X S+ 0 0 47 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.913 114.2 47.3 -68.1 -40.8 74.9 36.2 101.7 192 192 A M H X S+ 0 0 0 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.920 110.0 53.8 -66.2 -41.0 71.5 34.4 101.3 193 193 A D H X S+ 0 0 65 -4,-2.7 4,-0.5 -5,-0.2 -2,-0.2 0.916 108.9 49.9 -58.4 -43.0 71.3 34.1 105.1 194 194 A A H >< S+ 0 0 51 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.895 111.1 47.5 -61.4 -46.3 71.8 37.9 105.4 195 195 A W H >< S+ 0 0 38 -4,-2.0 3,-1.0 1,-0.2 6,-0.2 0.880 110.5 52.4 -63.6 -37.5 69.1 38.7 102.8 196 196 A L H 3< S+ 0 0 14 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.594 111.7 48.8 -73.2 -9.1 66.7 36.2 104.6 197 197 A S T << S+ 0 0 82 -3,-0.9 -1,-0.2 -4,-0.5 -2,-0.2 0.293 103.6 76.6-108.4 3.3 67.4 38.2 107.8 198 198 A G S X S- 0 0 30 -3,-1.0 3,-1.5 -4,-0.2 -3,-0.1 -0.461 100.2 -84.0-107.9-176.2 66.9 41.6 106.3 199 199 A P T 3 S+ 0 0 122 0, 0.0 3,-0.3 0, 0.0 4,-0.1 0.696 120.3 55.6 -63.4 -20.8 63.8 43.7 105.4 200 200 A N T >> S+ 0 0 64 -5,-0.2 3,-2.0 1,-0.2 4,-0.7 0.506 72.8 108.1 -92.0 1.6 63.3 42.2 101.9 201 201 A A G X4 S+ 0 0 22 -3,-1.5 3,-0.7 1,-0.3 -1,-0.2 0.817 79.3 45.9 -52.9 -40.9 63.1 38.5 103.1 202 202 A N G 34 S+ 0 0 120 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.606 108.0 58.9 -75.5 -15.3 59.3 38.1 102.5 203 203 A K G <4 S+ 0 0 81 -3,-2.0 2,-0.4 -4,-0.1 -1,-0.2 0.561 75.5 110.3 -92.8 -9.3 59.5 39.7 99.0 204 204 A I << + 0 0 3 -3,-0.7 -61,-0.2 -4,-0.7 3,-0.1 -0.504 31.3 163.5 -71.7 120.6 62.0 37.3 97.4 205 205 A E + 0 0 2 -63,-2.1 2,-0.3 -2,-0.4 -62,-0.2 0.777 62.9 22.4-107.6 -32.7 60.3 35.1 94.8 206 206 A V E -h 143 0B 0 -64,-1.4 -62,-1.7 24,-0.1 2,-0.6 -0.999 59.7-149.7-138.4 138.5 63.2 33.7 92.8 207 207 A V E -hi 144 232B 0 24,-2.7 26,-2.3 -2,-0.3 2,-0.5 -0.945 15.6-169.8-106.1 120.8 66.9 33.1 93.5 208 208 A I E -hi 145 233B 0 -64,-2.5 -62,-2.3 -2,-0.6 2,-0.4 -0.939 5.0-174.8-107.8 121.3 69.2 33.3 90.4 209 209 A A E -h 146 0B 0 24,-2.4 -62,-0.2 -2,-0.5 6,-0.0 -0.945 30.2-135.7-116.0 142.1 72.8 32.2 90.9 210 210 A N S S+ 0 0 0 -64,-2.6 2,-0.3 -2,-0.4 -63,-0.1 0.682 90.6 13.7 -65.6 -20.7 75.6 32.4 88.3 211 211 A N S > S- 0 0 5 -65,-0.2 4,-2.0 22,-0.1 25,-0.2 -0.973 77.9-109.2-147.2 172.8 76.7 28.8 89.1 212 212 A D H > S+ 0 0 0 23,-2.0 4,-2.7 -2,-0.3 5,-0.2 0.850 111.1 61.0 -71.1 -35.0 75.5 25.7 91.0 213 213 A A H > S+ 0 0 0 22,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.939 110.7 41.3 -60.7 -41.8 78.0 25.9 93.9 214 214 A M H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 112.4 55.5 -72.2 -38.3 76.5 29.3 94.8 215 215 A A H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.894 106.3 52.7 -56.1 -40.0 72.9 27.9 94.2 216 216 A M H X S+ 0 0 26 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.869 106.8 50.7 -66.2 -35.5 73.7 25.1 96.6 217 217 A G H X S+ 0 0 0 -4,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.891 110.7 50.0 -67.7 -42.3 74.7 27.6 99.4 218 218 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.895 106.9 55.0 -61.7 -39.3 71.5 29.5 98.8 219 219 A V H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.903 108.2 49.9 -63.5 -38.5 69.5 26.2 99.1 220 220 A E H X S+ 0 0 84 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.888 111.4 46.2 -66.0 -43.9 71.1 25.7 102.5 221 221 A A H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.867 111.9 53.0 -62.5 -40.4 70.3 29.2 103.7 222 222 A L H <>S+ 0 0 5 -4,-2.6 5,-2.8 2,-0.2 3,-0.3 0.937 109.6 48.0 -63.2 -45.1 66.7 28.7 102.4 223 223 A K H ><5S+ 0 0 112 -4,-2.3 3,-2.1 1,-0.2 5,-0.2 0.888 107.5 55.7 -61.7 -41.5 66.2 25.4 104.3 224 224 A A H 3<5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.838 112.6 42.1 -60.5 -35.9 67.6 26.9 107.5 225 225 A H T 3<5S- 0 0 67 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.174 114.4-118.5 -91.5 13.3 64.9 29.6 107.3 226 226 A N T < 5S+ 0 0 146 -3,-2.1 -3,-0.2 1,-0.2 3,-0.1 0.859 79.7 125.5 45.7 43.0 62.3 27.1 106.3 227 227 A K > < + 0 0 60 -5,-2.8 3,-1.5 -6,-0.1 -4,-0.2 -0.230 18.5 135.0-116.5 36.0 61.8 28.9 103.1 228 228 A S T 3 + 0 0 77 1,-0.3 -1,-0.1 -6,-0.2 -5,-0.1 0.639 55.8 74.0 -69.8 -9.5 62.5 25.9 100.9 229 229 A S T 3 S+ 0 0 94 -3,-0.1 -1,-0.3 -7,-0.1 -2,-0.0 0.491 71.7 103.1 -75.3 -3.8 59.5 26.6 98.5 230 230 A I S < S- 0 0 8 -3,-1.5 2,-0.2 -11,-0.1 -24,-0.1 -0.737 78.8-122.1 -81.6 122.8 61.5 29.6 96.9 231 231 A P - 0 0 11 0, 0.0 -24,-2.7 0, 0.0 2,-0.4 -0.457 25.0-160.8 -69.1 137.2 62.9 28.3 93.4 232 232 A V E -i 207 0B 0 17,-0.3 19,-2.5 -26,-0.2 20,-1.0 -0.975 3.8-166.1-121.1 131.2 66.6 28.4 92.9 233 233 A F E +ij 208 252B 0 -26,-2.3 -24,-2.4 -2,-0.4 20,-0.2 -0.943 12.8 171.0-116.2 141.5 68.3 28.3 89.4 234 234 A G - 0 0 0 18,-2.1 2,-0.3 -2,-0.4 -22,-0.1 -0.565 25.7-122.2-129.1-167.4 72.0 27.6 88.8 235 235 A V S S+ 0 0 0 18,-0.2 -23,-2.0 -2,-0.2 -22,-0.3 -0.965 77.7 46.5-144.2 127.1 74.5 27.0 86.0 236 236 A D B S-k 255 0C 8 18,-3.3 20,-2.0 -2,-0.3 22,-0.2 -0.254 79.0-126.1 147.0 -28.0 76.9 24.0 85.5 237 237 A A - 0 0 11 18,-0.2 18,-0.1 1,-0.1 -1,-0.1 0.862 37.2-175.3 51.6 51.3 74.8 20.8 86.1 238 238 A L >> - 0 0 4 1,-0.1 4,-2.2 -3,-0.1 3,-0.6 -0.378 38.4-110.7 -65.2 148.6 77.1 19.4 88.7 239 239 A P H 3> S+ 0 0 74 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.901 119.7 51.7 -54.6 -37.2 76.0 15.9 89.8 240 240 A E H 3> S+ 0 0 108 1,-0.2 4,-1.0 2,-0.2 -2,-0.0 0.828 109.8 48.8 -68.7 -33.8 75.1 17.3 93.3 241 241 A A H <> S+ 0 0 0 -3,-0.6 4,-2.0 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