==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JUN-09 2WMF . COMPND 2 MOLECULE: FUCOLECTIN-RELATED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR M.A.HIGGINS,G.E.WHITWORTH,N.EL WARRY,M.RANDRIANTSOA, . 555 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20281.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 392 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 12.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 4 0.7 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 . 2 0.4 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 . 42 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 123 22.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 1 3 1 2 1 1 3 0 2 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 1 3 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 . 2 2 0 1 4 2 0 2 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 1 0 0 2 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 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 35 A V 0 0 147 0, 0.0 2,-0.2 0, 0.0 147,-0.1 0.000 360.0 360.0 360.0 138.9 -11.8 33.8 26.6 2 36 A Q - 0 0 170 1,-0.1 2,-0.1 145,-0.1 0, 0.0 -0.595 360.0-106.0 -82.7 143.6 -10.6 30.6 28.3 3 37 A M - 0 0 35 -2,-0.2 146,-0.2 1,-0.1 145,-0.1 -0.438 17.2-142.4 -65.1 138.9 -6.9 30.2 28.9 4 38 A R S S+ 0 0 62 144,-3.2 2,-0.3 1,-0.2 145,-0.1 0.714 89.8 27.1 -73.4 -25.4 -5.2 27.8 26.5 5 39 A T S S- 0 0 28 143,-0.5 2,-0.7 113,-0.1 -1,-0.2 -0.987 76.1-137.9-136.3 134.8 -2.9 26.5 29.3 6 40 A T + 0 0 85 -2,-0.3 2,-0.5 -3,-0.1 -2,-0.0 -0.892 30.5 177.0 -93.0 114.2 -3.7 26.6 33.1 7 41 A I + 0 0 14 -2,-0.7 2,-0.3 6,-0.0 256,-0.1 -0.986 22.9 109.9-124.9 118.2 -0.5 27.8 34.8 8 42 A N B > S-A 11 0A 59 3,-1.3 3,-1.6 -2,-0.5 291,-0.1 -0.936 82.1 -72.1-167.7 179.3 -0.3 28.3 38.5 9 43 A N T 3 S+ 0 0 34 -2,-0.3 290,-0.9 1,-0.3 288,-0.1 0.816 133.3 46.4 -56.2 -33.6 1.2 26.7 41.6 10 44 A E T 3 S+ 0 0 133 1,-0.2 -1,-0.3 288,-0.2 -3,-0.0 0.526 123.6 35.1 -83.1 -6.0 -1.2 23.7 41.4 11 45 A S B < S-A 8 0A 19 -3,-1.6 -3,-1.3 2,-0.0 -1,-0.2 -0.595 79.9-179.9-149.3 71.0 -0.6 23.4 37.6 12 46 A P - 0 0 5 0, 0.0 2,-0.4 0, 0.0 251,-0.2 -0.172 21.9-124.2 -71.6 171.6 3.1 24.2 36.7 13 47 A L E -b 263 0B 3 249,-2.7 251,-2.5 -8,-0.0 2,-0.5 -0.981 14.6-163.2-127.8 125.8 4.4 24.0 33.2 14 48 A L E -bc 264 48B 0 33,-2.3 35,-2.0 -2,-0.4 2,-0.4 -0.961 10.9-160.4-106.4 121.2 7.4 22.1 31.8 15 49 A L E - c 0 49B 0 249,-3.0 251,-0.3 -2,-0.5 35,-0.2 -0.868 6.9-172.9-101.2 131.6 8.8 23.2 28.5 16 50 A S E - c 0 50B 3 33,-1.7 35,-2.2 -2,-0.4 2,-0.3 -0.997 21.3-135.3-123.2 124.3 11.0 20.8 26.4 17 51 A P E - c 0 51B 2 0, 0.0 2,-0.3 0, 0.0 35,-0.2 -0.624 19.7-171.9 -96.9 143.3 12.6 22.3 23.3 18 52 A L E - c 0 52B 2 33,-2.7 35,-2.9 -2,-0.3 2,-0.4 -0.909 18.0-145.9-116.7 154.6 13.1 21.2 19.6 19 53 A Y E - c 0 53B 11 -2,-0.3 9,-3.0 9,-0.3 12,-0.1 -0.955 15.3-113.3-130.7 133.6 15.3 23.2 17.1 20 54 A G B -J 27 0C 0 33,-2.8 36,-1.9 -2,-0.4 2,-0.4 -0.305 21.1-159.6 -65.3 139.8 14.9 23.8 13.4 21 55 A N - 0 0 18 5,-1.2 2,-0.3 2,-0.2 36,-0.1 -0.968 19.4-139.8-111.3 143.1 17.4 22.4 10.9 22 56 A D S S+ 0 0 86 -2,-0.4 2,-0.3 34,-0.1 -2,-0.0 -0.120 88.8 37.3 -89.5 39.7 17.6 24.0 7.4 23 57 A N S > S+ 0 0 117 -2,-0.3 3,-2.3 0, 0.0 4,-0.2 -0.958 99.7 20.7-173.2 166.3 17.9 20.4 6.1 24 58 A G T 3 S- 0 0 68 1,-0.3 4,-0.1 -2,-0.3 -3,-0.0 -0.178 125.9 -13.9 59.7-137.4 16.7 16.8 6.6 25 59 A N T 3 S- 0 0 81 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.326 101.1-101.1 -80.2 7.5 13.4 16.5 8.4 26 60 A G S < S+ 0 0 9 -3,-2.3 -5,-1.2 1,-0.2 2,-0.3 0.532 91.7 97.8 83.8 7.2 13.6 20.1 9.6 27 61 A L B -J 20 0C 8 -7,-0.3 3,-0.5 -4,-0.2 -2,-0.3 -0.986 61.9-134.8-132.3 143.3 14.9 19.3 13.2 28 62 A W S > S+ 0 0 10 -9,-3.0 3,-1.4 -2,-0.3 -9,-0.3 -0.308 80.9 35.8 -83.5 166.1 18.3 19.3 14.8 29 63 A W T 3 S- 0 0 9 1,-0.3 247,-2.9 246,-0.1 248,-0.3 0.639 120.4 -79.5 64.8 19.5 19.8 16.6 17.2 30 64 A G T 3 S+ 0 0 40 -3,-0.5 -1,-0.3 1,-0.2 2,-0.1 0.657 92.2 140.0 69.9 14.8 18.1 13.7 15.4 31 65 A N < - 0 0 3 -3,-1.4 2,-0.3 245,-0.2 -1,-0.2 -0.452 37.5-157.4 -93.8 162.7 14.8 14.4 17.1 32 66 A T > - 0 0 43 -2,-0.1 4,-2.0 1,-0.1 5,-0.1 -0.933 28.3-120.6-127.9 159.8 11.1 14.4 15.9 33 67 A L H > S+ 0 0 0 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.928 116.3 50.9 -62.3 -47.2 8.0 16.1 17.3 34 68 A K H > S+ 0 0 110 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.930 111.7 48.3 -56.6 -43.5 6.3 12.7 17.8 35 69 A G H > S+ 0 0 3 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.861 107.1 55.8 -66.0 -36.4 9.4 11.5 19.7 36 70 A A H < S+ 0 0 0 -4,-2.0 4,-0.4 2,-0.2 -1,-0.2 0.909 111.3 42.9 -61.0 -47.3 9.5 14.6 21.9 37 71 A W H >< S+ 0 0 42 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.901 110.1 57.3 -72.0 -34.6 5.9 14.1 23.1 38 72 A E H 3< S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 100.6 60.3 -57.8 -30.1 6.6 10.4 23.5 39 73 A A T 3< S+ 0 0 15 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.665 85.6 88.5 -71.3 -19.6 9.4 11.4 25.9 40 74 A I S < S- 0 0 1 -3,-1.4 5,-0.1 -4,-0.4 8,-0.0 -0.730 86.0-120.5 -87.7 117.2 7.0 13.2 28.3 41 75 A P >> - 0 0 34 0, 0.0 4,-2.0 0, 0.0 3,-1.3 -0.203 21.5-114.8 -57.5 152.4 5.7 10.8 30.9 42 76 A E T 34 S+ 0 0 140 1,-0.3 -2,-0.0 2,-0.2 -4,-0.0 0.845 115.9 51.2 -60.0 -36.7 1.9 10.4 30.9 43 77 A D T 34 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.700 114.0 46.7 -70.7 -19.2 1.5 11.9 34.4 44 78 A V T X4 S+ 0 0 0 -3,-1.3 3,-2.6 1,-0.1 -2,-0.2 0.743 90.2 82.6 -92.4 -31.4 3.6 14.9 33.3 45 79 A K G >< S+ 0 0 29 -4,-2.0 3,-1.6 1,-0.3 -2,-0.1 0.795 83.1 60.0 -46.4 -41.3 1.8 15.5 29.9 46 80 A P G 3 S+ 0 0 93 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.667 113.3 40.6 -61.9 -12.8 -1.1 17.6 31.4 47 81 A Y G < S+ 0 0 62 -3,-2.6 -33,-2.3 -42,-0.1 2,-0.3 -0.069 107.7 83.4-122.2 25.4 1.6 20.0 32.7 48 82 A A E < +c 14 0B 7 -3,-1.6 2,-0.3 -35,-0.2 -33,-0.2 -0.905 42.6 174.2-135.3 159.2 3.9 20.0 29.6 49 83 A A E -c 15 0B 2 -35,-2.0 -33,-1.7 -2,-0.3 2,-0.5 -0.969 30.0-113.4-156.9 163.7 4.4 21.6 26.2 50 84 A I E -cd 16 89B 0 38,-2.5 40,-2.2 -2,-0.3 2,-0.4 -0.869 21.6-143.1-105.5 128.1 7.0 21.5 23.4 51 85 A E E -cd 17 90B 3 -35,-2.2 -33,-2.7 -2,-0.5 2,-0.6 -0.745 10.1-153.9 -88.8 134.4 9.0 24.7 22.5 52 86 A L E -cd 18 91B 0 38,-2.7 40,-2.5 -2,-0.4 -33,-0.2 -0.952 12.9-176.8-114.1 108.6 9.7 25.1 18.8 53 87 A H E -c 19 0B 9 -35,-2.9 -33,-2.8 -2,-0.6 3,-0.2 -0.925 22.1-148.0-108.7 120.0 12.8 27.1 18.1 54 88 A P > + 0 0 0 0, 0.0 3,-2.5 0, 0.0 4,-0.2 0.794 41.7 155.7 -65.8 -25.6 13.5 27.8 14.4 55 89 A A G > + 0 0 0 1,-0.3 8,-2.2 2,-0.2 3,-1.9 -0.096 67.7 19.2 49.7-113.6 17.2 27.8 15.1 56 90 A K G 3 S+ 0 0 34 -36,-1.9 -1,-0.3 1,-0.3 -35,-0.2 0.634 115.2 70.8 -72.1 -12.7 19.1 26.9 11.9 57 91 A V G < S+ 0 0 12 -3,-2.5 -1,-0.3 -31,-0.1 -2,-0.2 0.781 81.3 96.7 -67.7 -26.8 16.1 27.8 9.7 58 92 A C S < S- 0 0 2 -3,-1.9 6,-0.1 -4,-0.2 -36,-0.1 -0.448 73.3-123.3 -70.0 140.6 16.9 31.4 10.7 59 93 A K S S+ 0 0 84 7,-0.3 7,-0.1 -2,-0.2 12,-0.1 -0.993 78.0 4.3-140.7 139.5 19.0 33.5 8.2 60 94 A P S S+ 0 0 110 0, 0.0 2,-0.5 0, 0.0 -1,-0.2 -0.985 135.4 30.7 -77.9 -12.5 21.5 35.1 8.2 61 95 A T S > S- 0 0 73 3,-0.3 3,-2.1 -4,-0.0 5,-0.2 -0.930 85.0-114.8-117.6 125.0 22.2 34.0 11.8 62 96 A S T 3 S+ 0 0 36 -2,-0.5 -6,-0.2 1,-0.2 -7,-0.1 -0.244 101.3 12.7 -50.1 134.7 21.1 30.7 13.4 63 97 A C T 3 S+ 0 0 25 -8,-2.2 -1,-0.2 1,-0.1 -8,-0.2 0.307 96.2 110.9 77.2 -2.3 18.5 31.3 16.2 64 98 A I < - 0 0 27 -3,-2.1 2,-2.2 -9,-0.2 -3,-0.3 -0.892 64.2-145.2-104.9 103.5 17.8 35.0 15.2 65 99 A P + 0 0 1 0, 0.0 37,-0.3 0, 0.0 2,-0.2 -0.318 27.0 170.7 -82.4 62.4 14.2 34.9 13.9 66 100 A R - 0 0 100 -2,-2.2 -7,-0.3 -5,-0.2 35,-0.2 -0.504 47.3 -99.2 -63.6 130.9 14.2 37.5 11.1 67 101 A D + 0 0 41 33,-3.4 2,-0.3 -2,-0.2 -1,-0.1 -0.364 61.7 150.4 -57.5 118.2 10.9 37.2 9.2 68 102 A T > - 0 0 16 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.957 59.6-108.0-140.9 163.9 11.4 35.3 6.0 69 103 A K H > S+ 0 0 145 -2,-0.3 4,-2.4 1,-0.2 5,-0.1 0.917 121.8 50.4 -55.9 -42.2 9.3 33.0 3.7 70 104 A E H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.872 108.1 52.6 -68.1 -38.8 11.3 30.0 5.0 71 105 A L H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.953 112.2 43.7 -60.0 -50.5 10.8 31.0 8.7 72 106 A R H X S+ 0 0 85 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.930 112.3 54.1 -63.3 -41.7 7.0 31.2 8.3 73 107 A E H X S+ 0 0 105 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.899 109.5 48.2 -57.4 -43.5 7.0 27.9 6.2 74 108 A W H X S+ 0 0 12 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.926 110.4 50.0 -65.2 -47.5 8.8 26.2 9.0 75 109 A Y H X S+ 0 0 1 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.932 114.2 45.8 -54.5 -47.2 6.5 27.5 11.7 76 110 A V H X S+ 0 0 50 -4,-2.8 4,-3.0 2,-0.2 5,-0.2 0.913 110.5 52.8 -65.8 -45.1 3.5 26.3 9.6 77 111 A K H X S+ 0 0 104 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.930 113.8 43.2 -51.2 -50.1 5.0 22.9 8.9 78 112 A M H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.877 112.7 52.2 -69.9 -36.6 5.6 22.4 12.6 79 113 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 -5,-0.2 5,-0.2 0.926 108.9 51.1 -62.3 -44.7 2.1 23.7 13.6 80 114 A E H X S+ 0 0 98 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.925 112.5 45.5 -57.8 -46.5 0.5 21.3 11.1 81 115 A E H X S+ 0 0 61 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.933 114.6 47.6 -65.5 -47.1 2.4 18.4 12.5 82 116 A A H X>S+ 0 0 0 -4,-2.7 5,-2.4 1,-0.2 4,-0.7 0.889 111.3 51.1 -60.4 -42.7 1.6 19.4 16.1 83 117 A Q H ><5S+ 0 0 49 -4,-2.9 3,-0.9 1,-0.2 -1,-0.2 0.933 107.6 52.8 -63.0 -42.1 -2.1 19.9 15.4 84 118 A S H 3<5S+ 0 0 92 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 118.0 37.5 -62.5 -29.6 -2.3 16.5 13.7 85 119 A L H 3<5S- 0 0 72 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.385 107.6-122.4-100.1 2.4 -0.8 14.9 16.9 86 120 A N T <<5 + 0 0 114 -3,-0.9 -3,-0.2 -4,-0.7 -4,-0.1 0.837 55.5 157.4 53.0 42.1 -2.6 17.1 19.4 87 121 A I < - 0 0 1 -5,-2.4 2,-0.2 -6,-0.2 -1,-0.2 -0.831 42.4-126.4 -98.6 122.4 0.7 18.2 20.9 88 122 A P - 0 0 21 0, 0.0 -38,-2.5 0, 0.0 2,-0.3 -0.487 37.7-176.6 -69.5 130.4 0.7 21.6 22.8 89 123 A V E -de 50 117B 0 27,-2.5 29,-3.0 -40,-0.2 30,-0.7 -0.931 26.4-159.1-131.3 153.8 3.4 24.0 21.4 90 124 A F E -de 51 119B 0 -40,-2.2 -38,-2.7 -2,-0.3 2,-0.4 -0.988 21.1-140.2-123.5 139.1 5.0 27.4 21.9 91 125 A L E -de 52 120B 0 28,-1.8 30,-2.4 -2,-0.4 2,-0.8 -0.839 9.8-134.4-100.7 132.8 6.9 29.2 19.1 92 126 A V E + e 0 121B 0 -40,-2.5 30,-0.2 -2,-0.4 3,-0.1 -0.806 38.8 159.3 -81.3 109.9 10.1 31.1 19.7 93 127 A I E + 0 0 0 28,-2.0 9,-0.4 -2,-0.8 2,-0.4 0.463 56.4 47.1-112.8 -7.8 9.4 34.3 17.6 94 128 A M E + e 0 122B 1 27,-1.5 29,-2.0 7,-0.1 2,-0.3 -0.999 62.7 140.6-137.9 135.6 11.9 36.7 19.2 95 129 A S E > + e 0 123B 7 -2,-0.4 3,-1.9 27,-0.2 29,-0.2 -0.933 55.1 9.0-167.1 150.8 15.6 36.4 20.1 96 130 A A T 3 S- 0 0 8 28,-2.2 29,-0.2 27,-0.8 28,-0.1 0.789 120.9 -53.5 49.8 48.2 18.9 38.1 20.2 97 131 A G T 3 S+ 0 0 3 1,-0.2 -1,-0.3 27,-0.2 2,-0.1 0.430 81.0 165.2 79.2 2.0 17.8 41.7 19.3 98 132 A E < - 0 0 34 -3,-1.9 -1,-0.2 1,-0.2 3,-0.2 -0.312 15.2-178.7 -64.0 126.7 15.9 40.9 16.2 99 133 A R S S+ 0 0 115 1,-0.2 2,-0.9 -2,-0.1 -1,-0.2 0.721 71.9 63.0 -93.1 -27.8 13.7 43.9 15.2 100 134 A N S S+ 0 0 112 3,-0.0 -33,-3.4 -33,-0.0 -1,-0.2 -0.569 72.0 148.9-106.7 68.6 12.0 42.4 12.1 101 135 A T - 0 0 15 -2,-0.9 -35,-0.1 -35,-0.2 -7,-0.1 -0.367 58.1 -58.0 -93.4 174.6 10.2 39.5 13.6 102 136 A V - 0 0 1 -9,-0.4 -1,-0.2 -37,-0.3 5,-0.0 -0.147 66.3 -98.9 -59.3 142.9 6.9 38.0 12.3 103 137 A P >> - 0 0 37 0, 0.0 4,-1.9 0, 0.0 3,-0.5 -0.333 20.1-126.6 -61.9 143.7 4.0 40.4 12.2 104 138 A P H 3> S+ 0 0 28 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.871 112.9 58.8 -54.6 -36.9 1.5 40.4 15.0 105 139 A E H 3> S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.878 104.3 50.9 -58.0 -39.5 -1.3 39.9 12.4 106 140 A W H <> S+ 0 0 18 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.916 110.7 47.7 -64.7 -43.7 0.4 36.7 11.2 107 141 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.922 107.8 55.7 -62.5 -43.7 0.6 35.4 14.8 108 142 A D H X S+ 0 0 23 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.934 107.8 50.5 -52.2 -47.0 -3.1 36.3 15.3 109 143 A E H X S+ 0 0 107 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.879 108.1 52.0 -59.6 -41.7 -3.9 34.1 12.2 110 144 A Q H X S+ 0 0 16 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.909 107.5 51.0 -66.9 -39.6 -2.0 31.2 13.6 111 145 A F H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 109.7 52.1 -61.5 -37.9 -3.9 31.4 16.9 112 146 A Q H < S+ 0 0 128 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A Q T 3> S+ 0 0 66 2,-0.1 4,-2.4 1,-0.1 5,-0.3 0.615 83.3 76.3 -87.6 -17.8 12.2 47.9 20.1 133 167 A L H <> S+ 0 0 1 -3,-1.2 4,-2.0 2,-0.2 5,-0.1 0.919 95.6 44.6 -66.3 -43.2 12.2 44.7 22.1 134 168 A A H > S+ 0 0 0 -4,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.951 116.8 44.3 -68.8 -51.5 9.9 45.8 24.9 135 169 A P H > S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 -2,-0.2 0.912 114.5 49.5 -60.1 -37.9 7.3 47.5 22.6 136 170 A H H X S+ 0 0 56 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.903 110.7 50.7 -66.4 -41.6 7.3 44.6 20.2 137 171 A S H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.3 -1,-0.2 0.912 107.2 54.7 -60.1 -41.4 6.9 42.2 23.2 138 172 A A H X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.892 107.6 49.7 -59.4 -41.1 4.0 44.3 24.4 139 173 A K H X S+ 0 0 73 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.926 112.2 46.5 -68.5 -43.2 2.2 43.9 21.0 140 174 A Y H X S+ 0 0 5 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.912 109.0 55.6 -65.2 -37.9 2.7 40.2 20.9 141 175 A L H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.895 105.5 52.9 -57.6 -44.0 1.4 39.9 24.5 142 176 A E H X S+ 0 0 86 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