==== 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 ISOMERASE 25-MAR-08 2ZKL . COMPND 2 MOLECULE: CAPSULAR POLYSACCHARIDE SYNTHESIS ENZYME CAP5F; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR T.MIYAFUSA,Y.TANAKA,M.YAO,I.TANAKA,K.TSUMOTO . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20380.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 258 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 18.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.8 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 . 40 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 23.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 0 2 1 1 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 PARALLEL BRIDGES PER LADDER . 1 2 1 3 0 2 3 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 1 0 1 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 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 M 0 0 105 0, 0.0 26,-2.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 175.4 -63.4 42.2 -32.0 2 2 A N E -a 27 0A 32 44,-0.2 46,-2.7 24,-0.2 47,-1.4 -0.827 360.0-172.6 -98.1 123.5 -63.5 41.7 -28.3 3 3 A I E -ab 28 49A 0 24,-2.9 26,-3.2 -2,-0.6 2,-0.4 -0.956 4.7-164.7-117.1 122.9 -65.2 38.5 -27.0 4 4 A V E -ab 29 50A 0 45,-2.4 47,-2.9 -2,-0.5 2,-0.5 -0.886 3.8-160.1-106.1 139.4 -65.8 37.9 -23.3 5 5 A I E > -ab 30 51A 0 24,-2.6 26,-2.7 -2,-0.4 3,-0.7 -0.965 3.4-158.5-119.6 112.1 -66.7 34.4 -22.2 6 6 A T E 3 S+ab 31 52A 0 45,-1.8 47,-1.2 -2,-0.5 26,-0.2 -0.665 85.1 26.3 -84.9 149.5 -68.4 34.1 -18.8 7 7 A G T > S+ 0 0 18 24,-1.5 3,-1.9 -2,-0.3 6,-0.4 0.831 78.2 158.1 66.7 31.4 -68.0 30.7 -17.3 8 8 A A T < + 0 0 0 23,-1.9 24,-0.2 -3,-0.7 9,-0.2 0.607 64.3 61.6 -64.3 -13.4 -64.8 30.3 -19.3 9 9 A K T 3 S+ 0 0 120 22,-0.3 -1,-0.3 4,-0.1 23,-0.1 0.419 90.3 96.9 -93.4 2.3 -63.5 27.7 -16.9 10 10 A G S <> S- 0 0 31 -3,-1.9 4,-3.2 1,-0.1 5,-0.3 -0.297 92.7 -93.2 -87.0 173.0 -66.4 25.4 -17.7 11 11 A F H > S+ 0 0 32 1,-0.2 4,-1.6 2,-0.2 119,-0.2 0.945 126.8 34.7 -47.5 -64.3 -66.7 22.5 -20.2 12 12 A V H > S+ 0 0 14 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.876 116.9 60.0 -63.1 -35.2 -68.0 24.5 -23.1 13 13 A G H > S+ 0 0 1 -6,-0.4 4,-3.1 2,-0.2 5,-0.2 0.964 103.9 44.8 -56.2 -59.6 -65.8 27.5 -22.0 14 14 A K H X S+ 0 0 75 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.869 117.1 48.8 -55.2 -38.4 -62.4 25.8 -22.3 15 15 A N H X S+ 0 0 7 -4,-1.6 4,-2.3 -5,-0.3 -1,-0.2 0.920 111.6 46.4 -68.2 -46.0 -63.5 24.3 -25.6 16 16 A L H X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.932 114.3 49.3 -63.2 -43.5 -64.7 27.6 -27.1 17 17 A K H X S+ 0 0 57 -4,-3.1 4,-2.6 -5,-0.2 5,-0.3 0.939 110.0 49.9 -60.4 -49.8 -61.6 29.4 -25.9 18 18 A A H X S+ 0 0 31 -4,-2.3 4,-1.2 -5,-0.2 -1,-0.2 0.922 116.2 42.5 -55.9 -47.4 -59.3 26.8 -27.3 19 19 A D H >X S+ 0 0 50 -4,-2.3 4,-3.8 2,-0.2 3,-0.6 0.976 114.7 48.4 -64.1 -56.9 -61.0 26.9 -30.7 20 20 A L H 3X S+ 0 0 3 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.847 110.0 51.4 -53.6 -41.8 -61.4 30.7 -30.9 21 21 A T H 3< S+ 0 0 64 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.846 121.1 34.0 -68.0 -30.7 -57.8 31.5 -29.9 22 22 A S H << S+ 0 0 106 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.826 124.8 40.7 -91.0 -36.0 -56.5 29.1 -32.6 23 23 A T H < S+ 0 0 85 -4,-3.8 2,-0.2 -5,-0.2 -3,-0.2 0.590 116.0 40.9 -90.4 -11.9 -59.2 29.6 -35.3 24 24 A T < - 0 0 42 -4,-1.7 0, 0.0 -5,-0.4 0, 0.0 -0.781 62.2-133.4-135.9 176.6 -59.6 33.4 -35.0 25 25 A D + 0 0 167 -2,-0.2 -1,-0.1 2,-0.1 -4,-0.1 0.549 66.8 120.4-101.0 -16.4 -58.1 36.8 -34.6 26 26 A H - 0 0 46 -6,-0.2 2,-0.6 1,-0.1 -24,-0.2 -0.075 69.5-116.1 -52.0 148.6 -60.6 38.0 -31.9 27 27 A H E -a 2 0A 106 -26,-2.2 -24,-2.9 2,-0.0 2,-0.6 -0.807 32.3-150.6 -89.0 121.1 -59.3 39.0 -28.5 28 28 A I E -a 3 0A 24 -2,-0.6 2,-0.6 -26,-0.2 -24,-0.2 -0.845 11.5-167.4-102.5 123.8 -60.7 36.6 -25.9 29 29 A F E -a 4 0A 30 -26,-3.2 -24,-2.6 -2,-0.6 2,-0.4 -0.931 13.4-149.8-109.1 116.0 -61.4 37.7 -22.3 30 30 A E E -a 5 0A 63 -2,-0.6 2,-0.4 -26,-0.2 -24,-0.2 -0.680 12.1-171.5 -88.9 136.5 -62.1 34.8 -20.0 31 31 A V E +a 6 0A 2 -26,-2.7 -23,-1.9 -2,-0.4 -24,-1.5 -0.975 12.8 161.4-130.9 119.5 -64.4 35.3 -17.0 32 32 A H > - 0 0 59 -2,-0.4 2,-2.5 -25,-0.2 3,-1.4 -0.808 55.2 -82.4-129.5 171.4 -64.8 32.7 -14.2 33 33 A R T 3 S+ 0 0 228 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 -0.408 124.3 50.2 -76.8 68.7 -66.1 32.6 -10.7 34 34 A Q T 3 S+ 0 0 175 -2,-2.5 2,-0.7 2,-0.0 -1,-0.3 0.084 76.3 122.4 172.7 23.1 -62.8 33.8 -9.2 35 35 A T < - 0 0 25 -3,-1.4 5,-0.1 2,-0.0 -4,-0.0 -0.906 69.8-117.2-103.8 103.8 -62.3 36.8 -11.4 36 36 A K >> - 0 0 157 -2,-0.7 4,-1.6 1,-0.1 3,-0.6 -0.009 22.3-113.7 -41.1 140.9 -62.1 39.9 -9.2 37 37 A E H 3> S+ 0 0 79 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.754 110.5 69.8 -50.6 -28.4 -64.9 42.4 -9.7 38 38 A E H 3> S+ 0 0 148 1,-0.2 4,-1.6 2,-0.2 3,-0.3 0.966 105.9 33.4 -56.4 -59.3 -62.3 44.9 -11.1 39 39 A E H <> S+ 0 0 74 -3,-0.6 4,-3.2 1,-0.2 5,-0.4 0.788 107.6 69.2 -70.8 -28.3 -61.5 43.1 -14.3 40 40 A L H X S+ 0 0 6 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.941 107.4 39.7 -54.6 -46.3 -65.1 41.8 -14.7 41 41 A E H X S+ 0 0 63 -4,-1.7 4,-2.9 -3,-0.3 5,-0.3 0.912 114.0 57.2 -66.0 -44.2 -66.1 45.4 -15.4 42 42 A S H X S+ 0 0 58 -4,-1.6 4,-2.0 -5,-0.2 -2,-0.2 0.967 112.7 36.5 -49.3 -66.4 -63.0 45.9 -17.4 43 43 A A H X S+ 0 0 8 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.905 116.4 53.9 -56.4 -47.4 -63.6 43.0 -19.9 44 44 A L H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.4 -2,-0.2 0.894 110.2 46.4 -57.5 -42.7 -67.4 43.7 -19.9 45 45 A L H < S+ 0 0 49 -4,-2.9 -1,-0.2 1,-0.2 33,-0.2 0.877 114.3 47.8 -68.3 -36.3 -66.9 47.3 -20.8 46 46 A K H < S+ 0 0 101 -4,-2.0 -44,-0.2 -5,-0.3 -1,-0.2 0.733 92.1 122.3 -72.2 -25.5 -64.4 46.5 -23.5 47 47 A A < + 0 0 0 -4,-1.9 -44,-0.2 -5,-0.2 31,-0.1 0.045 36.6 175.2 -46.6 141.2 -66.7 43.7 -24.9 48 48 A D S S+ 0 0 53 -46,-2.7 33,-1.0 1,-0.5 2,-0.3 0.474 82.2 16.2-117.0 -20.4 -68.0 43.6 -28.5 49 49 A F E -bc 3 81A 6 -47,-1.4 -45,-2.4 31,-0.3 2,-0.5 -0.957 68.4-151.4-156.0 135.0 -69.7 40.2 -28.0 50 50 A I E -bc 4 82A 0 31,-3.0 33,-3.2 -2,-0.3 2,-0.9 -0.953 3.0-166.5-115.9 121.3 -70.7 38.4 -24.8 51 51 A V E -bc 5 83A 0 -47,-2.9 -45,-1.8 -2,-0.5 2,-1.2 -0.859 15.9-158.9-103.9 96.8 -70.9 34.6 -24.7 52 52 A H E +bc 6 84A 6 31,-2.6 33,-1.6 -2,-0.9 -45,-0.1 -0.650 35.7 144.0 -86.0 95.6 -72.7 33.9 -21.5 53 53 A L + 0 0 26 -47,-1.2 -46,-0.2 -2,-1.2 -1,-0.2 0.523 34.5 115.7-103.2 -14.3 -71.9 30.3 -20.4 54 54 A A - 0 0 14 -3,-0.2 31,-0.1 1,-0.1 -48,-0.1 -0.032 68.0-103.8 -56.0 161.8 -71.8 30.9 -16.6 55 55 A G 0 0 55 1,-0.2 11,-0.1 10,-0.0 10,-0.1 0.134 360.0 360.0 -72.8-165.8 -74.2 29.2 -14.3 56 56 A V 0 0 100 9,-0.1 -1,-0.2 8,-0.1 44,-0.0 -0.382 360.0 360.0 -63.8 360.0 -77.2 30.9 -12.5 57 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 58 65 A F 0 0 218 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 46.7 -76.7 33.7 1.1 59 66 A S + 0 0 125 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.596 360.0 45.1 -77.4 -10.5 -79.9 31.6 1.4 60 67 A L S S+ 0 0 151 2,-0.1 2,-0.0 3,-0.0 0, 0.0 -0.929 89.4 54.0-130.2 152.3 -81.6 35.0 0.9 61 68 A G S S- 0 0 64 -2,-0.3 2,-0.6 2,-0.0 0, 0.0 0.003 90.0 -61.5 104.3 150.2 -81.0 37.8 -1.5 62 69 A N + 0 0 121 1,-0.1 -2,-0.1 2,-0.0 0, 0.0 -0.549 52.8 164.5 -70.1 114.5 -80.6 38.3 -5.3 63 70 A V + 0 0 93 -2,-0.6 2,-0.5 -5,-0.0 -1,-0.1 0.077 19.0 142.3-120.2 23.2 -77.7 36.2 -6.3 64 71 A S > - 0 0 36 1,-0.2 4,-1.5 2,-0.1 -8,-0.1 -0.530 34.7-164.1 -70.9 119.0 -78.3 36.1 -10.1 65 72 A Y H > S+ 0 0 42 -2,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.836 88.9 53.6 -72.7 -33.6 -74.9 36.3 -11.9 66 73 A L H > S+ 0 0 11 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.899 105.4 55.0 -67.3 -40.7 -76.6 37.2 -15.3 67 74 A D H > S+ 0 0 61 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.939 109.6 46.8 -55.2 -49.6 -78.4 40.1 -13.6 68 75 A H H X S+ 0 0 67 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.917 111.8 50.6 -59.4 -47.8 -75.0 41.4 -12.4 69 76 A V H X S+ 0 0 2 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.910 111.4 46.5 -58.9 -46.8 -73.4 41.0 -15.8 70 77 A L H X S+ 0 0 3 -4,-2.8 4,-0.9 1,-0.2 -1,-0.2 0.883 108.2 59.0 -63.5 -37.7 -76.1 42.8 -17.7 71 78 A D H >< S+ 0 0 96 -4,-2.1 3,-0.7 -5,-0.3 4,-0.2 0.931 108.7 42.9 -56.4 -49.3 -76.0 45.5 -15.0 72 79 A I H >< S+ 0 0 4 -4,-2.1 3,-1.7 1,-0.2 -1,-0.2 0.866 107.7 58.9 -66.4 -38.2 -72.3 46.2 -15.7 73 80 A L H >< S+ 0 0 7 -4,-2.0 3,-1.8 1,-0.3 -1,-0.2 0.696 82.9 87.2 -64.7 -17.0 -72.8 46.1 -19.5 74 81 A T T << S+ 0 0 56 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.818 85.8 53.5 -52.1 -31.0 -75.3 48.9 -19.0 75 82 A R T < S+ 0 0 130 -3,-1.7 2,-0.7 -4,-0.2 -1,-0.3 -0.129 79.9 120.5 -97.6 36.9 -72.3 51.3 -19.3 76 83 A N < - 0 0 16 -3,-1.8 -30,-0.1 1,-0.2 -31,-0.1 -0.889 52.5-154.2-108.2 109.1 -71.1 49.9 -22.6 77 84 A T S S+ 0 0 149 -2,-0.7 -1,-0.2 -32,-0.1 -32,-0.0 0.901 82.6 54.4 -39.6 -63.1 -71.0 52.5 -25.4 78 85 A K S S- 0 0 86 -33,-0.2 -2,-0.1 -31,-0.1 38,-0.1 -0.306 92.6-119.8 -71.5 158.8 -71.4 49.9 -28.2 79 86 A K - 0 0 135 36,-0.1 38,-0.6 -31,-0.0 -1,-0.1 -0.619 34.9-160.0-103.8 74.3 -74.3 47.5 -28.0 80 87 A P - 0 0 3 0, 0.0 -31,-0.3 0, 0.0 -32,-0.1 -0.226 20.3-113.5 -56.8 134.2 -72.4 44.2 -27.9 81 88 A A E -c 49 0A 11 -33,-1.0 -31,-3.0 35,-0.1 2,-0.4 -0.358 29.0-144.4 -67.4 148.8 -74.5 41.1 -28.9 82 89 A I E -cd 50 118A 2 35,-2.2 37,-3.0 -33,-0.2 2,-0.5 -0.974 8.0-159.0-123.4 130.5 -75.2 38.6 -26.1 83 90 A L E -cd 51 119A 0 -33,-3.2 -31,-2.6 -2,-0.4 2,-0.5 -0.925 12.8-164.2-105.5 125.5 -75.4 34.8 -26.5 84 91 A L E -cd 52 120A 9 35,-3.0 37,-2.3 -2,-0.5 2,-1.2 -0.945 11.8-149.8-118.2 119.3 -77.3 33.1 -23.7 85 92 A S E + d 0 121A 11 -33,-1.6 37,-0.2 -2,-0.5 2,-0.1 -0.691 30.9 165.8 -87.1 95.7 -77.0 29.4 -23.2 86 93 A S E - d 0 122A 4 35,-2.8 37,-2.5 -2,-1.2 2,-0.3 -0.390 29.5-112.6 -97.3-176.1 -80.4 28.4 -21.8 87 94 A S E > - d 0 123A 7 35,-0.3 3,-1.9 10,-0.2 4,-0.2 -0.821 16.2-122.7-120.8 157.7 -81.8 24.8 -21.4 88 95 A I G >> S+ 0 0 59 35,-1.9 3,-0.9 -2,-0.3 4,-0.5 0.531 108.8 79.8 -71.5 -2.3 -84.6 22.8 -23.0 89 96 A Q G 34 + 0 0 58 34,-0.4 5,-0.3 1,-0.2 -1,-0.3 0.639 63.6 86.5 -76.8 -16.1 -85.5 22.6 -19.3 90 97 A A G <4 S+ 0 0 6 -3,-1.9 -1,-0.2 1,-0.2 -2,-0.1 0.780 89.2 54.4 -54.4 -25.4 -87.0 26.0 -19.5 91 98 A T T <4 S+ 0 0 98 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.970 96.8 71.8 -70.8 -59.4 -90.1 24.1 -20.6 92 99 A Q S < S- 0 0 100 -4,-0.5 2,-0.6 1,-0.1 -3,-0.0 -0.036 85.8-123.2 -53.5 160.8 -90.3 21.7 -17.6 93 100 A D + 0 0 136 4,-0.1 -1,-0.1 5,-0.0 -3,-0.1 -0.670 65.8 113.7-115.1 77.6 -91.4 23.1 -14.3 94 101 A N S >> S- 0 0 48 -2,-0.6 4,-2.6 -5,-0.3 3,-0.7 -0.957 81.4 -96.4-136.9 152.2 -88.5 22.3 -11.9 95 102 A P H 3> S+ 0 0 104 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.842 123.6 50.2 -36.0 -52.9 -86.2 24.8 -10.1 96 103 A Y H 3> S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.920 114.7 42.5 -56.8 -48.1 -83.5 24.4 -12.7 97 104 A G H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.941 113.9 50.3 -64.6 -49.5 -85.9 25.0 -15.7 98 105 A E H X S+ 0 0 100 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.909 110.3 52.5 -55.5 -43.7 -87.7 27.8 -14.0 99 106 A S H X S+ 0 0 50 -4,-2.8 4,-1.3 -5,-0.3 -1,-0.2 0.936 109.7 46.6 -57.9 -51.0 -84.3 29.5 -13.3 100 107 A K H X S+ 0 0 29 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.819 111.1 53.7 -62.6 -31.1 -83.2 29.2 -16.9 101 108 A L H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.917 104.6 53.8 -69.3 -41.9 -86.5 30.6 -18.0 102 109 A Q H X S+ 0 0 123 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.803 106.6 54.9 -60.6 -29.6 -86.1 33.6 -15.7 103 110 A G H X S+ 0 0 16 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.888 107.5 46.3 -72.8 -39.9 -82.8 34.2 -17.4 104 111 A E H X S+ 0 0 7 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.974 113.7 49.5 -64.3 -53.3 -84.2 34.3 -20.9 105 112 A Q H X S+ 0 0 100 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.891 110.1 51.1 -50.9 -47.6 -87.0 36.6 -19.8 106 113 A L H X S+ 0 0 52 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.942 112.7 46.6 -57.4 -48.0 -84.5 38.9 -18.0 107 114 A L H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.845 110.7 50.2 -66.3 -36.8 -82.4 39.1 -21.2 108 115 A R H X S+ 0 0 136 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.934 112.7 47.6 -68.0 -43.3 -85.2 39.7 -23.6 109 116 A E H X S+ 0 0 126 -4,-2.4 4,-1.2 -5,-0.2 -2,-0.2 0.943 113.6 47.5 -59.7 -49.6 -86.5 42.6 -21.4 110 117 A Y H X S+ 0 0 28 -4,-2.5 4,-2.5 -5,-0.2 6,-0.3 0.878 112.0 51.6 -59.8 -38.1 -83.0 44.0 -21.1 111 118 A A H X S+ 0 0 12 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.910 104.3 54.6 -67.1 -43.5 -82.6 43.7 -24.9 112 119 A E H < S+ 0 0 159 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.780 115.3 41.3 -62.8 -25.9 -85.8 45.5 -25.7 113 120 A E H < S+ 0 0 133 -4,-1.2 -2,-0.2 -3,-0.2 -1,-0.2 0.923 126.4 28.7 -86.5 -50.7 -84.7 48.5 -23.6 114 121 A Y H < S- 0 0 107 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.478 97.8-127.7 -92.6 -3.7 -81.0 48.7 -24.6 115 122 A G < + 0 0 37 -4,-2.3 -4,-0.1 -5,-0.2 -3,-0.1 0.467 48.7 154.8 75.1 2.6 -81.2 47.3 -28.1 116 123 A N - 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