==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SUGAR BINDING PROTEIN 22-MAR-10 3M9W . COMPND 2 MOLECULE: D-XYLOSE-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.SOORIYAARACHCHI,W.UBHAYASEKERA,S.L.MOWBRAY . 305 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 77.0 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 . 9 3.0 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 . 26 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 34.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.3 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 1 2 1 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 3 1 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 PARALLEL BRIDGES PER LADDER . 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 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 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 3 A V 0 0 49 0, 0.0 31,-1.8 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 123.1 -5.6 42.4 29.1 2 4 A K E -a 32 0A 104 29,-0.2 56,-2.2 54,-0.2 57,-1.9 -0.811 360.0-164.6 -92.2 127.5 -2.3 41.4 30.9 3 5 A I E -ab 33 59A 2 29,-2.8 31,-2.8 -2,-0.5 2,-0.6 -0.923 10.7-161.7-114.8 130.8 -1.0 38.0 30.0 4 6 A G E -ab 34 60A 0 55,-3.3 57,-3.4 -2,-0.4 2,-0.6 -0.959 9.9-166.1-106.6 116.2 1.7 36.0 31.9 5 7 A M E -ab 35 61A 0 29,-3.0 31,-2.2 -2,-0.6 2,-0.8 -0.900 3.5-171.1-105.4 114.4 3.2 33.2 29.8 6 8 A A E -ab 36 62A 0 55,-2.6 57,-2.1 -2,-0.6 2,-0.4 -0.823 6.8-168.9-110.9 92.5 5.2 30.7 31.8 7 9 A I E -ab 37 63A 0 29,-2.3 31,-1.9 -2,-0.8 32,-0.3 -0.669 18.7-140.6 -85.3 128.4 7.1 28.5 29.4 8 10 A D S S+ 0 0 9 55,-1.0 32,-2.4 -2,-0.4 33,-0.5 0.833 83.3 4.1 -63.0 -34.2 8.6 25.5 31.0 9 11 A D + 0 0 17 30,-0.3 6,-0.3 29,-0.2 3,-0.3 -0.812 51.8 164.3-158.9 107.9 11.8 25.5 28.9 10 12 A L + 0 0 23 -2,-0.3 6,-0.1 -3,-0.3 -1,-0.1 0.442 61.4 95.0-102.1 -3.1 13.0 28.0 26.4 11 13 A R S S+ 0 0 161 4,-0.0 2,-0.2 3,-0.0 -1,-0.2 0.358 87.5 51.0 -73.7 8.6 16.6 26.9 26.3 12 14 A L S S- 0 0 113 -3,-0.3 3,-0.3 1,-0.0 4,-0.2 -0.690 95.6-105.2-127.5-174.9 15.7 24.7 23.3 13 15 A E S >> S+ 0 0 128 -2,-0.2 3,-1.0 1,-0.2 4,-0.7 0.736 93.0 93.7 -82.0 -25.1 14.0 25.3 20.0 14 16 A R T 34 S+ 0 0 149 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.706 101.0 16.6 -46.2 -33.9 10.6 23.6 20.9 15 17 A W T 3> S+ 0 0 7 -3,-0.3 4,-2.8 -6,-0.3 -1,-0.3 0.437 94.4 94.4-123.1 -2.4 8.8 26.8 22.1 16 18 A Q H <> S+ 0 0 67 -3,-1.0 4,-1.4 -4,-0.2 -2,-0.1 0.839 94.0 45.6 -68.2 -29.6 10.7 29.8 20.8 17 19 A K H X S+ 0 0 115 -4,-0.7 4,-1.9 2,-0.2 5,-0.4 0.909 109.6 53.9 -73.9 -42.8 8.5 29.9 17.8 18 20 A D H > S+ 0 0 0 -4,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 107.8 54.0 -55.2 -46.0 5.3 29.5 19.9 19 21 A R H X S+ 0 0 65 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.913 109.3 43.1 -55.0 -51.6 6.5 32.4 22.0 20 22 A D H X S+ 0 0 68 -4,-1.4 4,-3.0 2,-0.2 5,-0.2 0.917 116.3 44.9 -68.6 -45.6 6.9 35.0 19.3 21 23 A I H X S+ 0 0 31 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.925 114.7 50.4 -63.2 -45.9 3.7 34.3 17.3 22 24 A F H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.4 -2,-0.2 0.976 113.5 46.2 -52.9 -59.5 1.8 34.2 20.5 23 25 A V H X S+ 0 0 29 -4,-3.0 4,-2.9 -5,-0.2 3,-0.4 0.954 113.4 46.4 -45.0 -63.9 3.2 37.5 21.6 24 26 A K H X S+ 0 0 161 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.869 116.5 44.5 -56.8 -38.9 2.7 39.3 18.3 25 27 A K H X S+ 0 0 50 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.3 0.812 113.1 52.6 -75.9 -28.0 -0.9 38.0 17.9 26 28 A A H >< S+ 0 0 0 -4,-2.4 3,-0.8 -3,-0.4 5,-0.4 0.953 111.9 43.0 -69.6 -52.5 -1.6 38.8 21.6 27 29 A E H >< S+ 0 0 106 -4,-2.9 3,-2.4 1,-0.2 -2,-0.2 0.916 108.5 62.2 -57.2 -44.2 -0.4 42.4 21.3 28 30 A S H 3< S+ 0 0 84 -4,-2.0 -1,-0.2 -5,-0.4 -2,-0.2 0.787 103.6 47.7 -48.4 -35.6 -2.3 42.6 18.0 29 31 A L T << S- 0 0 75 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.422 133.5 -94.9 -88.5 0.8 -5.5 41.9 19.9 30 32 A G S < S+ 0 0 54 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.941 78.9 126.0 88.3 57.2 -4.5 44.6 22.4 31 33 A A - 0 0 14 -5,-0.4 2,-0.4 -8,-0.2 -1,-0.2 -0.968 54.6-123.1-142.0 159.5 -2.7 43.0 25.3 32 34 A K E -a 2 0A 145 -31,-1.8 -29,-2.8 -2,-0.3 2,-0.5 -0.812 27.8-156.9 -98.9 138.3 0.6 43.1 27.2 33 35 A V E -a 3 0A 27 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.965 10.9-171.4-127.0 122.7 2.6 39.9 27.4 34 36 A F E -a 4 0A 58 -31,-2.8 -29,-3.0 -2,-0.5 2,-0.4 -0.932 14.6-166.5-109.8 125.8 5.1 39.0 30.0 35 37 A V E +a 5 0A 39 -2,-0.5 2,-0.3 -31,-0.2 -29,-0.2 -0.886 13.4 171.4-118.7 140.1 7.2 35.9 29.4 36 38 A Q E -a 6 0A 44 -31,-2.2 -29,-2.3 -2,-0.4 2,-0.4 -0.972 16.9-149.6-139.1 156.9 9.4 33.8 31.5 37 39 A S E -a 7 0A 19 -2,-0.3 -29,-0.2 -31,-0.2 -28,-0.1 -0.973 9.6-150.1-127.4 140.6 11.1 30.4 30.9 38 40 A A > - 0 0 0 -31,-1.9 3,-2.2 -2,-0.4 6,-0.3 0.371 33.5-128.5 -94.0 5.4 11.9 27.9 33.6 39 41 A N T 3 S- 0 0 90 -32,-0.3 -30,-0.3 1,-0.3 -31,-0.1 0.870 72.3 -56.5 48.9 39.2 14.9 26.5 31.8 40 42 A G T 3 S+ 0 0 9 -32,-2.4 2,-0.5 1,-0.2 -1,-0.3 0.657 107.8 131.1 70.3 16.0 13.4 23.0 32.3 41 43 A N <> - 0 0 73 -3,-2.2 4,-2.0 -33,-0.5 -1,-0.2 -0.901 50.9-152.7-106.7 124.0 13.3 23.4 36.1 42 44 A E H > S+ 0 0 77 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.812 97.5 46.4 -59.3 -32.1 10.0 22.6 37.9 43 45 A E H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.809 106.1 55.6 -89.3 -30.1 10.8 25.0 40.7 44 46 A T H > S+ 0 0 51 -6,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.919 109.1 51.1 -60.5 -42.1 11.8 27.9 38.5 45 47 A Q H X S+ 0 0 2 -4,-2.0 4,-3.1 -7,-0.2 5,-0.3 0.947 108.3 49.5 -61.9 -47.4 8.4 27.5 36.9 46 48 A M H X S+ 0 0 60 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.928 113.5 48.3 -52.4 -47.4 6.6 27.6 40.3 47 49 A S H X S+ 0 0 78 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.892 113.3 47.0 -58.4 -46.1 8.5 30.7 41.2 48 50 A Q H X S+ 0 0 24 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.896 110.0 50.8 -68.9 -41.8 7.8 32.3 37.9 49 51 A I H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.949 112.6 48.1 -62.3 -47.2 4.0 31.5 37.9 50 52 A E H X S+ 0 0 62 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.885 107.4 56.0 -55.0 -43.1 3.9 33.0 41.4 51 53 A N H X S+ 0 0 59 -4,-2.1 4,-0.6 1,-0.2 -2,-0.2 0.932 108.0 48.6 -57.3 -43.9 5.8 36.0 40.1 52 54 A M H ><>S+ 0 0 0 -4,-2.4 5,-1.8 2,-0.2 3,-0.8 0.892 108.8 52.1 -64.9 -41.5 3.1 36.5 37.5 53 55 A I H ><5S+ 0 0 5 -4,-2.2 3,-1.9 1,-0.2 -2,-0.2 0.969 110.4 49.8 -53.7 -53.8 0.3 36.2 40.1 54 56 A N H 3<5S+ 0 0 108 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.592 103.7 59.6 -63.6 -10.8 2.1 38.9 42.1 55 57 A R T <<5S- 0 0 123 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.481 114.8-115.6 -93.6 -4.0 2.3 41.1 39.0 56 58 A G T < 5 + 0 0 46 -3,-1.9 -3,-0.2 -4,-0.4 -54,-0.2 0.831 47.8 177.7 75.1 34.6 -1.4 41.1 38.7 57 59 A V < - 0 0 7 -5,-1.8 -54,-0.2 1,-0.1 -1,-0.1 -0.323 27.0-147.6 -64.4 153.1 -1.7 39.3 35.3 58 60 A D S S+ 0 0 69 -56,-2.2 25,-2.3 1,-0.3 2,-0.4 0.768 81.8 27.2 -87.9 -31.3 -5.2 38.7 34.0 59 61 A V E -bc 3 83A 0 -57,-1.9 -55,-3.3 23,-0.2 2,-0.5 -0.997 65.0-152.6-139.3 132.5 -4.4 35.4 32.3 60 62 A L E -bc 4 84A 0 23,-2.9 25,-2.9 -2,-0.4 2,-0.6 -0.911 7.1-167.2-102.1 126.8 -1.7 32.8 32.9 61 63 A V E -bc 5 85A 0 -57,-3.4 -55,-2.6 -2,-0.5 2,-0.4 -0.958 17.1-174.3-114.3 108.8 -0.6 30.8 29.9 62 64 A I E -bc 6 86A 0 23,-2.3 25,-2.9 -2,-0.6 27,-0.3 -0.893 26.5-167.8-113.3 130.3 1.4 27.9 31.2 63 65 A I E -b 7 0A 0 -57,-2.1 -55,-1.0 -2,-0.4 2,-0.3 -0.941 36.0-138.5-106.6 103.4 3.4 25.3 29.3 64 66 A P - 0 0 0 0, 0.0 3,-0.3 0, 0.0 -57,-0.1 -0.460 24.9-165.9 -79.6 128.7 4.0 22.8 32.1 65 67 A Y S S+ 0 0 101 1,-0.3 2,-0.3 -2,-0.3 -23,-0.1 0.925 98.1 7.4 -66.8 -44.4 7.4 21.1 32.6 66 68 A N S > S- 0 0 49 -24,-0.1 3,-0.8 -3,-0.1 -1,-0.3 -0.916 71.2-164.3-138.0 113.0 5.5 18.8 35.0 67 69 A G T 3 S+ 0 0 6 -2,-0.3 25,-3.1 -3,-0.3 27,-0.1 -0.058 79.0 68.4 -89.7 34.1 1.7 19.2 35.1 68 70 A Q T 3 S+ 0 0 103 23,-0.2 3,-0.4 -2,-0.1 -1,-0.2 0.570 93.5 55.9-115.0 -22.0 1.1 17.3 38.4 69 71 A V S < S+ 0 0 57 -3,-0.8 4,-0.2 1,-0.2 -2,-0.1 0.051 87.9 78.0-103.3 23.3 2.7 19.7 40.7 70 72 A L > + 0 0 2 22,-0.3 4,-2.0 1,-0.1 5,-0.2 0.284 56.1 102.6-117.7 10.9 0.7 22.9 39.9 71 73 A S H > S+ 0 0 36 -3,-0.4 4,-2.1 1,-0.2 24,-0.4 0.914 84.5 44.4 -62.9 -46.7 -2.6 22.4 41.7 72 74 A N H > S+ 0 0 136 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.865 114.0 48.8 -66.7 -38.9 -1.9 24.8 44.6 73 75 A V H > S+ 0 0 8 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 112.2 48.8 -72.7 -34.7 -0.5 27.6 42.5 74 76 A V H X S+ 0 0 1 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.898 111.4 49.7 -66.2 -43.3 -3.4 27.4 40.1 75 77 A K H X S+ 0 0 116 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.958 110.0 51.3 -59.2 -51.1 -5.8 27.5 43.0 76 78 A E H < S+ 0 0 59 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.901 110.9 50.0 -49.2 -45.4 -3.9 30.5 44.3 77 79 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.1 1,-0.2 3,-1.6 0.930 108.5 49.4 -63.5 -47.8 -4.3 32.0 40.9 78 80 A K H ><5S+ 0 0 45 -4,-2.8 3,-2.4 1,-0.3 -2,-0.2 0.911 102.7 62.8 -61.1 -39.5 -8.1 31.4 40.6 79 81 A Q T 3<5S+ 0 0 143 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.670 104.0 49.7 -55.3 -16.9 -8.6 33.0 44.1 80 82 A E T < 5S- 0 0 129 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.314 123.8-104.1-104.8 4.4 -7.2 36.2 42.6 81 83 A G T < 5S+ 0 0 59 -3,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.551 71.7 147.3 83.4 9.5 -9.5 36.1 39.7 82 84 A I < - 0 0 8 -5,-2.1 2,-0.3 -6,-0.2 -1,-0.3 -0.580 42.4-135.4 -81.0 135.2 -6.8 35.0 37.2 83 85 A K E -c 59 0A 54 -25,-2.3 -23,-2.9 -2,-0.3 2,-0.5 -0.675 16.6-147.4 -86.3 143.8 -7.8 32.7 34.3 84 86 A V E -c 60 0A 0 -2,-0.3 13,-2.4 -25,-0.2 14,-1.3 -0.940 12.5-172.6-117.6 125.7 -5.5 29.7 33.5 85 87 A L E -cd 61 98A 0 -25,-2.9 -23,-2.3 -2,-0.5 2,-0.7 -0.962 17.2-143.5-113.4 130.0 -4.8 28.3 30.1 86 88 A A E -cd 62 99A 0 12,-2.9 14,-2.5 -2,-0.5 2,-0.6 -0.833 19.0-149.2 -91.2 115.3 -2.9 25.1 29.6 87 89 A Y E - d 0 100A 0 -25,-2.9 2,-2.2 -2,-0.7 14,-0.1 -0.782 61.9 -38.4 -93.4 117.1 -0.7 25.4 26.5 88 90 A D S S+ 0 0 34 12,-3.1 2,-0.4 -2,-0.6 14,-0.2 -0.055 127.5 65.6 67.8 -36.6 0.0 22.2 24.5 89 91 A R S S- 0 0 68 -2,-2.2 11,-0.1 -27,-0.3 -2,-0.1 -0.967 87.7-116.3-123.0 130.9 0.4 20.0 27.6 90 92 A M - 0 0 33 -2,-0.4 2,-0.6 -27,-0.1 -23,-0.2 -0.308 15.4-140.1 -68.1 140.5 -2.4 19.2 30.1 91 93 A I > - 0 0 0 3,-0.1 3,-0.6 -23,-0.1 2,-0.2 -0.902 26.7-145.1-100.1 119.6 -2.3 20.4 33.7 92 94 A N T 3 + 0 0 45 -25,-3.1 -22,-0.3 -2,-0.6 179,-0.2 -0.591 67.0 4.3 -96.3 144.9 -3.6 17.6 35.9 93 95 A D T 3 S+ 0 0 79 177,-1.7 2,-0.3 -2,-0.2 -1,-0.2 0.842 101.8 121.1 57.5 37.1 -5.7 17.9 39.1 94 96 A A S < S- 0 0 1 -3,-0.6 2,-1.5 179,-0.1 -1,-0.2 -0.949 73.2-118.8-134.5 153.1 -5.9 21.6 38.8 95 97 A D + 0 0 68 -24,-0.4 -11,-0.2 -2,-0.3 2,-0.1 -0.363 55.2 155.0 -89.8 57.1 -8.6 24.2 38.5 96 98 A I - 0 0 0 -2,-1.5 -11,-0.1 -5,-0.2 3,-0.1 -0.317 40.7-142.8 -80.9 170.2 -7.6 25.5 35.0 97 99 A D S S+ 0 0 37 -13,-2.4 2,-0.3 1,-0.3 -12,-0.2 0.643 70.3 3.0-108.8 -21.9 -10.0 27.2 32.6 98 100 A F E -d 85 0A 2 -14,-1.3 -12,-2.9 177,-0.1 2,-0.3 -0.993 50.2-151.1-165.3 160.7 -8.9 26.0 29.2 99 101 A Y E -de 86 277A 17 177,-1.4 179,-2.2 -2,-0.3 2,-0.5 -0.985 8.6-164.8-145.4 126.6 -6.5 23.8 27.2 100 102 A I E +de 87 278A 0 -14,-2.5 -12,-3.1 -2,-0.3 2,-0.3 -0.965 28.9 125.0-116.9 129.3 -5.1 24.2 23.7 101 103 A S E - e 0 279A 5 177,-2.6 179,-3.3 -2,-0.5 2,-0.3 -0.931 59.3 -84.0-155.2 178.3 -3.4 21.4 21.6 102 104 A F E - e 0 280A 8 177,-0.3 2,-1.0 -2,-0.3 179,-0.2 -0.657 55.6-100.6 -84.6 154.7 -3.4 19.6 18.4 103 105 A D > - 0 0 30 177,-2.9 4,-1.1 -2,-0.3 3,-0.3 -0.692 36.1-169.6 -81.6 103.2 -5.8 16.6 18.3 104 106 A N H > S+ 0 0 13 -2,-1.0 4,-2.1 1,-0.2 -1,-0.2 0.813 82.9 56.4 -66.5 -33.0 -3.6 13.6 18.9 105 107 A E H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 106.4 51.6 -63.6 -37.2 -6.3 11.0 18.1 106 108 A K H > S+ 0 0 79 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.757 103.9 58.5 -70.2 -27.8 -6.7 12.7 14.7 107 109 A V H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.969 107.8 45.6 -61.0 -53.6 -3.0 12.4 14.3 108 110 A G H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.867 111.8 53.3 -57.0 -37.2 -3.3 8.6 14.7 109 111 A E H X S+ 0 0 65 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.918 107.4 49.4 -65.1 -47.1 -6.3 8.6 12.3 110 112 A L H X S+ 0 0 44 -4,-2.3 4,-2.1 2,-0.2 5,-0.3 0.935 110.1 53.0 -57.5 -45.8 -4.4 10.5 9.6 111 113 A Q H X S+ 0 0 0 -4,-2.3 4,-1.1 1,-0.2 -2,-0.2 0.955 114.7 39.1 -52.1 -56.6 -1.5 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