==== 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 SUGAR BINDING PROTEIN 08-MAY-06 2GX6 . COMPND 2 MOLECULE: D-RIBOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.J.CUNEO,H.W.HELLINGA . 271 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11756.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 17.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.8 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 . 0 0.0 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 . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 39.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.0 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 0 0 0 1 1 0 0 0 2 1 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 3 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 0 PARALLEL BRIDGES PER LADDER . 0 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 K 0 0 179 0, 0.0 2,-0.2 0, 0.0 31,-0.1 0.000 360.0 360.0 360.0 141.8 34.7 36.9 65.6 2 2 A D - 0 0 87 29,-0.4 31,-3.1 56,-0.0 2,-0.4 -0.639 360.0-125.2 -78.3 149.7 32.0 35.8 63.1 3 3 A T E -a 33 0A 40 -2,-0.2 56,-2.6 54,-0.2 57,-0.7 -0.836 20.5-169.8-105.3 130.2 33.2 35.1 59.6 4 4 A I E -ab 34 60A 0 29,-3.0 31,-2.3 -2,-0.4 2,-0.4 -0.951 21.0-142.5-106.4 135.6 32.0 36.6 56.3 5 5 A A E -ab 35 61A 0 55,-2.8 57,-3.3 -2,-0.4 2,-0.5 -0.848 10.8-163.3 -99.5 138.2 33.3 34.9 53.2 6 6 A L E -ab 36 62A 0 29,-3.2 31,-2.7 -2,-0.4 2,-0.6 -0.990 2.9-171.0-118.5 118.3 34.3 36.8 50.1 7 7 A V E -ab 37 63A 0 55,-2.7 57,-2.6 -2,-0.5 2,-0.4 -0.964 14.3-168.6-108.8 109.7 34.7 34.5 47.0 8 8 A V E -a 38 0A 0 29,-2.3 31,-2.9 -2,-0.6 32,-0.4 -0.867 27.8-129.7-111.6 138.4 36.2 36.8 44.2 9 9 A S S S- 0 0 0 -2,-0.4 32,-3.9 55,-0.2 33,-0.4 0.862 84.5 -21.6 -54.6 -42.5 36.4 35.8 40.6 10 10 A T - 0 0 10 30,-0.3 -1,-0.2 29,-0.2 3,-0.1 -0.969 37.4-153.4-161.3 152.9 40.1 36.7 40.4 11 11 A L S S+ 0 0 50 -2,-0.3 6,-0.1 -3,-0.1 -2,-0.0 0.231 82.8 89.8-110.1 10.7 42.8 38.7 42.2 12 12 A N S S+ 0 0 135 4,-0.0 -1,-0.1 5,-0.0 3,-0.1 0.360 79.0 71.4 -82.1 6.6 44.9 39.0 38.9 13 13 A N S >> S- 0 0 11 1,-0.1 4,-1.7 -3,-0.1 3,-1.1 -0.990 79.3-138.2-127.8 123.8 43.0 42.2 38.1 14 14 A P H 3> S+ 0 0 44 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.820 102.6 63.6 -52.6 -34.1 43.6 45.5 40.1 15 15 A F H 3> S+ 0 0 5 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.922 107.1 43.1 -53.9 -43.7 39.8 46.2 40.1 16 16 A F H <> S+ 0 0 5 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.843 108.1 56.8 -78.9 -31.0 39.3 43.0 42.1 17 17 A V H X S+ 0 0 50 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.920 110.0 47.9 -59.2 -39.4 42.2 43.7 44.5 18 18 A S H X S+ 0 0 31 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.874 108.6 52.7 -70.7 -41.0 40.5 47.0 45.2 19 19 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.948 111.2 46.9 -53.8 -54.0 37.1 45.3 45.8 20 20 A K H X S+ 0 0 47 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.900 110.0 54.0 -53.6 -46.3 38.8 43.0 48.3 21 21 A D H X S+ 0 0 74 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.897 109.0 47.8 -60.2 -40.6 40.6 45.9 50.0 22 22 A G H X S+ 0 0 6 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.915 112.9 48.7 -66.0 -42.3 37.2 47.8 50.5 23 23 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.923 112.2 49.4 -61.8 -45.4 35.6 44.6 51.9 24 24 A Q H X S+ 0 0 67 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.918 109.7 49.8 -59.5 -48.3 38.6 44.0 54.3 25 25 A K H X S+ 0 0 157 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.899 114.0 45.7 -57.1 -43.5 38.6 47.6 55.6 26 26 A E H X S+ 0 0 31 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.888 111.3 52.0 -71.6 -39.8 34.8 47.4 56.3 27 27 A A H X>S+ 0 0 0 -4,-2.5 5,-2.4 2,-0.2 4,-0.8 0.935 109.8 50.1 -59.6 -48.7 35.1 43.9 57.9 28 28 A D H ><5S+ 0 0 103 -4,-2.8 3,-0.8 3,-0.2 -2,-0.2 0.932 112.4 48.0 -52.4 -48.0 37.8 45.2 60.2 29 29 A K H 3<5S+ 0 0 165 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.916 114.9 43.0 -66.2 -41.9 35.6 48.2 61.2 30 30 A L H 3<5S- 0 0 60 -4,-2.7 -1,-0.2 -5,-0.1 -2,-0.2 0.409 116.0-110.5 -87.8 2.3 32.5 46.2 61.9 31 31 A G T <<5 + 0 0 33 -3,-0.8 -29,-0.4 -4,-0.8 2,-0.3 0.748 68.8 136.6 78.7 28.6 34.4 43.4 63.8 32 32 A Y < - 0 0 21 -5,-2.4 2,-0.5 -6,-0.2 -1,-0.3 -0.776 55.2-123.9-103.4 153.2 34.1 40.5 61.3 33 33 A N E -a 3 0A 72 -31,-3.1 -29,-3.0 -2,-0.3 2,-0.6 -0.788 27.8-153.5 -84.2 130.2 36.6 38.0 60.2 34 34 A L E -a 4 0A 16 -2,-0.5 2,-0.6 -31,-0.2 -29,-0.2 -0.955 7.4-164.5-111.9 118.6 36.8 38.1 56.4 35 35 A V E -a 5 0A 23 -31,-2.3 -29,-3.2 -2,-0.6 2,-0.6 -0.917 10.1-162.6 -98.8 115.0 37.9 35.0 54.6 36 36 A V E -a 6 0A 38 -2,-0.6 2,-0.5 -31,-0.2 -29,-0.2 -0.886 6.8-173.8-103.3 114.2 38.9 35.8 51.0 37 37 A L E -a 7 0A 34 -31,-2.7 -29,-2.3 -2,-0.6 2,-0.5 -0.949 16.4-142.5-109.9 128.5 39.0 32.9 48.5 38 38 A D E -a 8 0A 48 -2,-0.5 -29,-0.2 -31,-0.2 -28,-0.1 -0.770 7.7-165.2 -92.0 117.5 40.4 33.6 44.9 39 39 A S > - 0 0 0 -31,-2.9 3,-1.8 -2,-0.5 7,-0.3 0.586 25.1-141.6 -77.9 -13.5 38.5 31.6 42.2 40 40 A Q T 3 - 0 0 105 -32,-0.4 -30,-0.3 1,-0.3 -31,-0.1 0.838 62.0 -67.1 54.9 38.9 41.3 32.4 39.6 41 41 A N T 3 S+ 0 0 70 -32,-3.9 -1,-0.3 -33,-0.2 -31,-0.1 0.743 108.1 129.9 55.3 28.0 38.7 32.8 36.9 42 42 A N <> - 0 0 63 -3,-1.8 4,-2.5 -33,-0.4 -1,-0.2 -0.934 51.2-159.9-123.0 111.5 38.0 29.1 37.3 43 43 A P H > S+ 0 0 63 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.829 95.6 53.7 -56.4 -39.1 34.4 27.7 37.7 44 44 A A H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.898 111.4 45.9 -62.4 -44.3 35.7 24.4 39.3 45 45 A K H > S+ 0 0 79 -6,-0.3 4,-2.8 2,-0.2 5,-0.2 0.894 109.7 53.9 -63.2 -46.4 37.7 26.4 41.9 46 46 A E H X S+ 0 0 4 -4,-2.5 4,-2.1 -7,-0.3 -2,-0.2 0.919 110.5 47.4 -55.5 -45.8 34.8 28.7 42.6 47 47 A L H X S+ 0 0 64 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.939 112.6 48.3 -61.1 -49.0 32.6 25.6 43.3 48 48 A A H X S+ 0 0 45 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.881 111.9 50.6 -56.2 -45.1 35.3 23.9 45.5 49 49 A N H X S+ 0 0 21 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.883 110.3 48.0 -63.1 -42.3 35.8 27.2 47.5 50 50 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.913 111.3 51.2 -66.8 -42.3 32.0 27.7 48.1 51 51 A Q H X S+ 0 0 80 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.908 110.4 49.2 -57.8 -45.5 31.7 24.0 49.3 52 52 A D H X S+ 0 0 62 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.920 112.9 47.5 -56.9 -47.8 34.6 24.5 51.7 53 53 A L H <>S+ 0 0 4 -4,-2.2 5,-1.5 1,-0.2 4,-0.5 0.857 107.9 54.2 -68.6 -38.3 33.1 27.8 53.0 54 54 A T H ><5S+ 0 0 25 -4,-2.6 3,-0.7 1,-0.2 -1,-0.2 0.887 109.6 48.2 -64.9 -34.8 29.6 26.2 53.5 55 55 A V H 3<5S+ 0 0 118 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.784 106.2 57.3 -77.4 -23.3 31.2 23.4 55.6 56 56 A R T 3<5S- 0 0 127 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.570 110.9-127.8 -76.0 -9.2 33.1 26.0 57.7 57 57 A G T < 5 - 0 0 43 -3,-0.7 -54,-0.2 -4,-0.5 -3,-0.2 0.919 34.3-172.9 61.7 45.8 29.7 27.5 58.5 58 58 A V < - 0 0 9 -5,-1.5 -54,-0.2 1,-0.1 3,-0.1 -0.357 24.6-131.2 -61.2 152.7 30.5 31.1 57.4 59 59 A K S S+ 0 0 99 -56,-2.6 2,-0.3 1,-0.3 -55,-0.2 0.798 82.8 13.9 -82.0 -32.9 27.7 33.5 58.3 60 60 A I E -b 4 0A 0 -57,-0.7 -55,-2.8 23,-0.2 2,-0.6 -0.995 65.6-142.6-143.7 139.5 27.4 35.3 55.0 61 61 A L E -bc 5 85A 7 23,-2.8 25,-2.8 -2,-0.3 2,-0.6 -0.926 10.2-170.1-105.0 115.5 28.7 34.6 51.5 62 62 A L E -bc 6 86A 0 -57,-3.3 -55,-2.7 -2,-0.6 2,-0.4 -0.917 20.3-175.6 -92.1 123.6 29.8 37.6 49.4 63 63 A I E -bc 7 87A 0 23,-2.6 25,-2.5 -2,-0.6 27,-0.2 -0.986 30.1-169.0-132.7 132.1 30.3 36.2 45.8 64 64 A N - 0 0 0 -57,-2.6 -55,-0.2 -2,-0.4 25,-0.1 -0.935 39.5-131.8-107.4 91.8 31.7 37.8 42.6 65 65 A P - 0 0 0 0, 0.0 3,-0.2 0, 0.0 -56,-0.2 -0.150 12.7-148.5 -51.3 140.3 30.8 35.0 40.1 66 66 A V S S+ 0 0 8 1,-0.3 2,-0.4 -58,-0.1 3,-0.1 0.848 97.4 11.3 -63.5 -41.0 33.3 33.7 37.6 67 67 A D S > S- 0 0 41 1,-0.1 4,-1.7 -25,-0.1 -1,-0.3 -0.963 70.9-147.0-146.9 117.5 30.4 33.0 35.3 68 68 A S T 4 S+ 0 0 0 66,-2.0 25,-2.5 -2,-0.4 26,-0.5 0.829 102.4 43.7 -61.8 -33.0 26.9 34.4 36.1 69 69 A D T 4 S+ 0 0 85 65,-0.9 3,-0.5 23,-0.2 -1,-0.2 0.812 114.7 48.1 -76.4 -34.5 25.3 31.3 34.5 70 70 A A T >4 S+ 0 0 50 1,-0.2 3,-0.7 64,-0.2 4,-0.4 0.690 95.9 71.2 -83.5 -17.5 27.6 28.7 36.0 71 71 A V T 3X + 0 0 0 -4,-1.7 4,-2.7 1,-0.2 5,-0.3 0.593 69.7 94.1 -79.1 -11.2 27.4 30.0 39.7 72 72 A G H 3> S+ 0 0 4 -3,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.862 85.0 48.8 -48.3 -43.5 23.8 28.8 40.2 73 73 A N H <> S+ 0 0 118 -3,-0.7 4,-1.4 2,-0.2 -1,-0.2 0.881 110.5 50.1 -69.7 -38.8 24.9 25.5 41.7 74 74 A A H > S+ 0 0 3 -4,-0.4 4,-1.5 -3,-0.2 3,-0.2 0.944 112.7 47.7 -59.5 -47.9 27.4 27.1 44.1 75 75 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.905 107.0 56.2 -61.9 -41.3 24.7 29.5 45.3 76 76 A K H X S+ 0 0 84 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.842 104.0 55.5 -62.2 -31.2 22.1 26.7 45.7 77 77 A M H X S+ 0 0 51 -4,-1.4 4,-1.6 -3,-0.2 -1,-0.2 0.896 109.3 44.8 -65.7 -41.5 24.6 25.0 48.1 78 78 A A H <>S+ 0 0 1 -4,-1.5 5,-2.6 2,-0.2 4,-0.4 0.898 112.5 53.4 -65.5 -42.6 24.8 28.2 50.2 79 79 A N H ><5S+ 0 0 39 -4,-2.8 3,-1.0 1,-0.2 -2,-0.2 0.883 107.4 50.4 -56.4 -44.1 21.0 28.3 50.0 80 80 A Q H 3<5S+ 0 0 155 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.859 111.3 48.9 -66.7 -34.6 20.7 24.7 51.2 81 81 A A T 3<5S- 0 0 50 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.452 114.1-119.6 -80.0 -2.0 23.0 25.5 54.2 82 82 A N T < 5 + 0 0 149 -3,-1.0 -3,-0.2 -4,-0.4 -2,-0.1 0.855 64.4 145.3 61.3 38.3 20.9 28.6 55.0 83 83 A I < - 0 0 15 -5,-2.6 -1,-0.2 -6,-0.1 -23,-0.2 -0.935 51.9-124.1-103.7 110.9 23.9 31.0 54.4 84 84 A P - 0 0 39 0, 0.0 -23,-2.8 0, 0.0 2,-0.4 -0.327 23.5-144.2 -59.1 143.7 22.6 34.2 52.9 85 85 A V E -c 61 0A 1 11,-0.3 13,-2.7 -25,-0.2 14,-0.8 -0.939 16.6-175.5-115.6 129.4 24.3 35.1 49.6 86 86 A I E -cd 62 99A 0 -25,-2.8 -23,-2.6 -2,-0.4 2,-0.4 -0.994 18.3-144.4-120.5 126.5 25.1 38.7 48.4 87 87 A T E -cd 63 100A 2 12,-2.1 14,-2.4 -2,-0.4 2,-0.4 -0.783 10.5-157.2 -95.6 138.8 26.5 39.1 44.9 88 88 A L E - d 0 101A 0 -25,-2.5 2,-2.2 -2,-0.4 14,-0.2 -0.968 65.3 -22.1-117.1 130.6 29.1 41.7 44.1 89 89 A D S S+ 0 0 3 12,-3.4 2,-0.4 -2,-0.4 14,-0.2 -0.136 128.3 52.0 73.8 -40.2 29.8 43.3 40.7 90 90 A R S S- 0 0 4 -2,-2.2 -2,-0.2 -27,-0.2 11,-0.1 -0.980 82.3-124.4-129.9 142.2 28.3 40.3 38.7 91 91 A Q - 0 0 57 -2,-0.4 2,-0.6 -27,-0.1 45,-0.3 -0.312 12.2-126.6 -77.7 159.8 24.9 38.7 39.1 92 92 A A - 0 0 18 1,-0.1 -23,-0.2 3,-0.1 -24,-0.1 -0.969 15.5-156.2-101.4 119.0 24.0 35.0 39.8 93 93 A T S S+ 0 0 84 -25,-2.5 2,-0.3 -2,-0.6 -24,-0.1 0.887 79.1 22.8 -63.6 -39.4 21.5 34.0 37.1 94 94 A K S S+ 0 0 137 -26,-0.5 -19,-0.2 -3,-0.1 2,-0.1 -0.853 94.5 60.4-125.7 163.4 20.0 31.2 39.3 95 95 A G S S- 0 0 21 -2,-0.3 2,-0.5 -20,-0.1 -3,-0.1 -0.120 87.8 -68.7 99.8 156.1 20.0 30.7 43.1 96 96 A E - 0 0 148 -24,-0.1 2,-0.4 -21,-0.1 -11,-0.3 -0.727 52.0-178.9 -84.9 122.5 18.5 32.7 45.9 97 97 A V - 0 0 49 -2,-0.5 -11,-0.2 1,-0.1 3,-0.1 -0.989 20.5-159.1-125.1 129.7 20.4 36.0 46.4 98 98 A V S S- 0 0 62 -13,-2.7 2,-0.3 -2,-0.4 -12,-0.2 0.874 76.6 -1.4 -75.1 -39.6 19.5 38.5 49.1 99 99 A S E -d 86 0A 1 -14,-0.8 -12,-2.1 2,-0.0 2,-0.4 -0.995 57.0-150.3-155.0 145.3 21.1 41.6 47.6 100 100 A H E -de 87 260A 21 159,-2.2 161,-2.4 -2,-0.3 2,-0.5 -0.989 11.2-169.2-120.5 131.2 23.2 42.5 44.4 101 101 A I E +de 88 261A 0 -14,-2.4 -12,-3.4 -2,-0.4 2,-0.3 -0.975 32.3 118.0-125.8 115.7 25.7 45.4 44.5 102 102 A A E - e 0 262A 6 159,-0.7 161,-1.7 -2,-0.5 -12,-0.1 -0.972 60.2 -83.4-164.9 163.9 27.2 46.5 41.2 103 103 A S E - e 0 263A 7 -2,-0.3 2,-1.6 159,-0.2 3,-0.2 -0.284 50.0-100.5 -66.7 159.5 27.5 49.4 38.7 104 104 A D > + 0 0 75 159,-0.7 4,-2.2 1,-0.2 5,-0.1 -0.734 48.5 178.3 -82.4 87.1 24.8 50.2 36.1 105 105 A N H > S+ 0 0 1 -2,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.749 73.6 57.6 -68.3 -26.4 26.8 48.4 33.5 106 106 A V H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.969 109.8 45.3 -63.9 -52.3 24.2 49.0 30.8 107 107 A L H > S+ 0 0 81 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.894 110.5 56.3 -54.1 -44.4 24.5 52.8 31.4 108 108 A G H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.906 107.5 46.2 -55.2 -47.1 28.3 52.4 31.4 109 109 A G H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.866 113.0 50.5 -66.6 -36.4 28.3 50.8 27.9 110 110 A K H X S+ 0 0 77 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.910 109.7 50.4 -64.8 -44.4 26.0 53.5 26.7 111 111 A I H X S+ 0 0 38 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.905 110.4 50.1 -60.0 -45.8 28.2 56.3 28.2 112 112 A A H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.922 113.8 44.4 -56.7 -51.3 31.3 54.8 26.5 113 113 A G H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.873 109.9 55.7 -61.8 -39.5 29.5 54.6 23.1 114 114 A D H X S+ 0 0 48 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.881 108.0 48.4 -62.6 -39.7 28.1 58.1 23.4 115 115 A Y H X S+ 0 0 33 -4,-1.9 4,-2.4 2,-0.2 5,-0.3 0.927 108.7 52.8 -68.3 -43.2 31.6 59.5 24.0 116 116 A I H X>S+ 0 0 0 -4,-1.9 4,-3.3 2,-0.2 5,-0.9 0.921 110.4 49.0 -53.0 -45.8 32.9 57.6 20.9 117 117 A A H X5S+ 0 0 7 -4,-2.4 4,-1.1 3,-0.2 -2,-0.2 0.928 110.0 52.7 -60.8 -41.6 30.1 59.2 18.9 118 118 A K H <5S+ 0 0 171 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.895 124.3 24.3 -57.7 -44.4 31.0 62.6 20.4 119 119 A K H <5S+ 0 0 140 -4,-2.4 -2,-0.2 2,-0.1 -3,-0.2 0.809 133.9 31.9 -99.2 -32.7 34.7 62.4 19.4 120 120 A A H <5S- 0 0 40 -4,-3.3 -3,-0.2 -5,-0.3 -2,-0.1 0.671 108.3-126.5 -97.5 -24.5 34.8 59.9 16.4 121 121 A G ><< - 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0 0 0 18,-2.7 2,-0.3 -2,-0.5 20,-0.2 -0.142 16.1-126.4-101.3-159.9 38.1 51.5 28.6 214 214 A F S S+ 0 0 0 18,-0.2 -23,-2.0 -2,-0.1 -22,-0.2 -0.954 73.3 38.1-155.8 130.1 36.2 50.7 31.8 215 215 A D B S-j 234 0B 8 18,-3.7 20,-2.1 -2,-0.3 19,-0.1 -0.275 78.8-123.1 134.2 -37.1 37.0 50.7 35.5 216 216 A G + 0 0 17 18,-0.3 -1,-0.1 1,-0.1 18,-0.1 0.929 45.7 176.5 59.4 48.6 39.3 53.7 36.0 217 217 A T > - 0 0 7 -3,-0.2 4,-3.0 1,-0.1 5,-0.3 -0.271 48.9 -97.8 -67.9 164.2 42.0 51.5 37.5 218 218 A P H > S+ 0 0 93 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.925 129.6 48.7 -51.6 -42.1 45.3 53.3 38.4 219 219 A D H > S+ 0 0 71 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.869 112.2 49.2 -67.8 -37.7 46.7 52.1 35.1 220 220 A G H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.912 111.5 48.3 -62.4 -44.7 43.6 53.4 33.2 221 221 A E H X S+ 0 0 72 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.905 112.8 48.7 -62.9 -43.9 43.8 56.8 35.0 222 222 A K H X S+ 0 0 121 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.896 109.5 52.1 -59.3 -44.6 47.5 57.1 34.1 223 223 A A H <>S+ 0 0 9 -4,-1.9 6,-1.7 2,-0.2 5,-1.6 0.854 108.8 50.7 -65.9 -36.9 46.8 56.2 30.5 224 224 A V H ><5S+ 0 0 0 -4,-2.0 3,-1.3 4,-0.2 -2,-0.2 0.954 111.7 47.1 -62.8 -50.4 44.1 58.9 30.3 225 225 A N H 3<5S+ 0 0 93 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.849 109.1 54.9 -60.4 -36.5 46.5 61.5 31.7 226 226 A D T 3<5S- 0 0 85 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.574 113.9-118.0 -72.8 -9.5 49.3 60.3 29.3 227 227 A G T < 5S+ 0 0 51 -3,-1.3 -3,-0.2 -4,-0.5 -2,-0.1 0.513 89.3 106.0 84.9 5.5 46.9 60.9 26.3 228 228 A K S + 0 0 62 -2,-0.2 4,-1.9 28,-0.2 3,-0.2 -0.718 33.7 166.4-124.7 73.4 34.1 52.3 42.6 237 237 A P H > S+ 0 0 12 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.860 75.8 55.5 -63.4 -36.0 35.4 48.8 43.5 238 238 A D H > S+ 0 0 75 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 109.9 48.4 -60.5 -39.1 36.4 49.7 47.1 239 239 A Q H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.856 108.3 52.8 -71.7 -35.1 32.8 50.9 47.7 240 240 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.957 113.9 44.1 -62.8 -48.9 31.3 47.7 46.1 241 241 A G H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.924 115.4 47.3 -56.9 -48.8 33.4 45.6 48.5 242 242 A A H X S+ 0 0 24 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.905 110.6 51.5 -62.6 -45.9 32.6 47.8 51.5 243 243 A K H X S+ 0 0 68 -4,-2.5 4,-3.1 1,-0.2 5,-0.3 0.875 103.4 60.5 -59.7 -39.6 28.9 47.8 50.8 244 244 A G H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.932 111.0 38.9 -52.4 -49.2 29.0 44.1 50.5 245 245 A V H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 -2,-0.2 0.901 113.3 54.9 -67.7 -44.0 30.1 43.8 54.2 246 246 A E H X S+ 0 0 58 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.906 113.7 42.4 -56.2 -45.8 27.9 46.7 55.3 247 247 A V H X S+ 0 0 1 -4,-3.1 4,-3.0 2,-0.2 5,-0.2 0.860 109.3 57.8 -69.4 -38.2 24.9 44.8 53.9 248 248 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.945 107.9 47.9 -55.0 -46.6 26.1 41.5 55.2 249 249 A D H X S+ 0 0 10 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.921 111.4 51.2 -57.1 -48.3 26.0 43.1 58.7 250 250 A K H X>S+ 0 0 54 -4,-1.8 5,-2.4 2,-0.2 4,-0.6 0.908 109.9 48.5 -50.5 -54.1 22.5 44.4 58.0 251 251 A V H ><5S+ 0 0 32 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.919 110.1 51.6 -56.0 -46.9 21.3 41.0 56.9 252 252 A L H 3<5S+ 0 0 67 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.859 111.7 47.6 -62.4 -35.3 22.8 39.4 60.1 253 253 A K H 3<5S- 0 0 129 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.463 115.3-115.3 -83.3 -6.7 21.0 42.0 62.2 254 254 A G T <<5 + 0 0 60 -3,-1.1 -3,-0.2 -4,-0.6 -2,-0.1 0.661 64.2 148.0 80.7 17.2 17.6 41.5 60.4 255 255 A E < - 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