==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-MAR-08 3CN7 . COMPND 2 MOLECULE: CARBOXYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.PESARESI,D.LAMBA . 856 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34514.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 620 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.9 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 . 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 . 74 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 231 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 1.8 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 0 4 4 3 1 4 0 0 0 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 8 8 4 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 . 5 0 8 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 . 2 0 1 0 0 4 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 2 A S 0 0 117 0, 0.0 47,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.9 28.6 16.8 13.7 2 3 A E - 0 0 141 45,-0.1 2,-0.2 1,-0.1 23,-0.1 -0.705 360.0 -99.2 -98.1 151.0 30.7 14.9 11.1 3 4 A P - 0 0 35 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.425 31.8-130.3 -65.0 130.7 30.8 11.1 10.6 4 5 A L E -A 46 0A 27 42,-2.0 42,-2.3 -2,-0.2 2,-0.4 -0.678 31.5-154.2 -81.7 137.4 33.8 9.4 12.2 5 6 A I E -A 45 0A 77 -2,-0.3 2,-0.5 40,-0.2 40,-0.2 -0.932 25.4-167.5-124.4 144.5 35.4 7.2 9.6 6 7 A L E -A 44 0A 20 38,-2.7 38,-1.8 -2,-0.4 -2,-0.0 -0.819 26.5-161.9-123.7 87.4 37.5 4.0 9.7 7 8 A D - 0 0 93 -2,-0.5 35,-0.1 36,-0.2 7,-0.0 -0.123 5.7-151.7 -68.7 165.2 38.8 3.7 6.3 8 9 A A > - 0 0 3 33,-0.1 3,-0.5 35,-0.0 35,-0.1 -0.991 28.4-100.2-141.1 131.1 40.2 0.5 4.8 9 10 A P T 3 S+ 0 0 101 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.147 105.2 2.0 -49.5 139.1 42.9 0.2 2.1 10 11 A N T 3 S- 0 0 160 1,-0.1 2,-0.1 2,-0.0 0, 0.0 0.932 94.7-153.2 41.0 63.2 41.5 -0.5 -1.4 11 12 A A < + 0 0 29 -3,-0.5 31,-0.2 1,-0.1 -1,-0.1 -0.387 33.0 165.5 -68.8 143.1 37.9 -0.4 0.0 12 13 A D + 0 0 56 29,-2.4 90,-0.5 1,-0.2 2,-0.3 0.192 65.5 34.6-140.3 8.4 35.2 -2.4 -1.8 13 14 A A E -b 42 0A 0 28,-0.9 30,-3.0 88,-0.1 2,-0.3 -0.971 61.9-154.9-159.1 161.4 32.5 -2.3 0.8 14 15 A C E -bc 43 106A 0 91,-2.0 93,-2.8 -2,-0.3 2,-0.5 -0.999 4.6-159.0-148.6 141.0 31.1 -0.0 3.5 15 16 A I E -bc 44 107A 0 28,-2.5 30,-3.0 -2,-0.3 2,-0.7 -0.980 7.9-159.5-124.2 119.2 29.2 -0.4 6.7 16 17 A I E -bc 45 108A 0 91,-2.9 93,-3.4 -2,-0.5 2,-0.4 -0.893 15.2-171.5-101.1 108.4 27.2 2.6 8.1 17 18 A W E - c 0 109A 4 28,-1.7 2,-0.4 -2,-0.7 93,-0.2 -0.876 5.9-158.7-106.5 128.6 26.6 2.1 11.8 18 19 A L E - c 0 110A 0 91,-3.4 93,-1.8 -2,-0.4 97,-0.1 -0.858 11.8-134.5-110.9 142.8 24.3 4.3 13.9 19 20 A H - 0 0 3 28,-0.4 95,-0.7 -2,-0.4 3,-0.1 -0.142 25.4 -91.4 -84.0-179.4 24.4 4.8 17.7 20 21 A G > - 0 0 6 1,-0.2 3,-0.6 93,-0.2 -1,-0.2 -0.074 63.1 -56.7 -82.5-175.9 21.7 4.8 20.4 21 22 A L T 3 S+ 0 0 47 1,-0.2 43,-0.2 43,-0.1 -1,-0.2 -0.452 123.0 3.6 -64.9 132.5 19.8 7.8 21.8 22 23 A G T 3 S+ 0 0 14 41,-4.2 2,-0.3 1,-0.2 -1,-0.2 0.965 99.3 130.8 57.3 64.4 22.2 10.3 23.2 23 24 A A < - 0 0 17 -3,-0.6 2,-0.3 40,-0.1 26,-0.3 -0.961 56.4-105.8-144.6 161.4 25.6 8.7 22.2 24 25 A D > - 0 0 77 -2,-0.3 3,-4.5 1,-0.1 4,-0.2 -0.691 27.5-122.3 -91.9 139.7 28.9 9.6 20.6 25 26 A R G > S+ 0 0 75 -2,-0.3 3,-0.7 1,-0.3 -1,-0.1 0.763 114.4 67.2 -47.8 -24.0 29.7 8.5 17.1 26 27 A T G > S+ 0 0 59 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.536 72.7 94.1 -76.0 -5.8 32.7 7.0 18.9 27 28 A D G < S+ 0 0 96 -3,-4.5 -1,-0.2 1,-0.3 4,-0.2 0.857 93.2 33.4 -57.5 -38.3 30.4 4.5 20.7 28 29 A F G <> S+ 0 0 14 -3,-0.7 4,-3.3 -4,-0.2 -1,-0.3 0.300 86.5 105.7-102.5 11.8 30.9 1.7 18.2 29 30 A K H <> S+ 0 0 76 -3,-1.2 4,-3.4 1,-0.2 5,-0.3 0.908 80.6 50.5 -54.9 -49.6 34.5 2.5 17.2 30 31 A P H > S+ 0 0 84 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.890 114.8 45.1 -58.9 -38.2 35.9 -0.5 19.2 31 32 A V H > S+ 0 0 26 -4,-0.2 4,-2.8 2,-0.2 5,-0.3 0.931 113.1 49.5 -71.2 -42.9 33.3 -2.7 17.5 32 33 A A H X S+ 0 0 1 -4,-3.3 4,-2.2 1,-0.2 5,-0.2 0.969 110.1 50.9 -56.1 -57.0 34.1 -1.2 14.1 33 34 A E H X S+ 0 0 88 -4,-3.4 4,-0.5 1,-0.2 -1,-0.2 0.832 112.9 47.0 -51.5 -37.7 37.8 -1.6 14.5 34 35 A A H >X S+ 0 0 48 -4,-1.5 3,-1.9 -5,-0.3 4,-0.8 0.969 111.8 46.8 -72.0 -55.1 37.4 -5.3 15.4 35 36 A L H 3X S+ 0 0 5 -4,-2.8 4,-1.9 1,-0.3 3,-0.3 0.780 103.7 65.6 -58.1 -25.6 35.0 -6.2 12.6 36 37 A Q H 3< S+ 0 0 35 -4,-2.2 -1,-0.3 -5,-0.3 6,-0.2 0.790 94.6 59.7 -65.7 -27.3 37.4 -4.4 10.3 37 38 A M H << S+ 0 0 154 -3,-1.9 -1,-0.2 -4,-0.5 -2,-0.2 0.841 110.9 37.8 -70.3 -33.9 39.9 -7.1 11.1 38 39 A V H < S+ 0 0 41 -4,-0.8 -2,-0.2 -3,-0.3 -1,-0.2 0.728 130.1 36.5 -86.4 -23.7 37.6 -9.9 9.8 39 40 A L S >< S+ 0 0 7 -4,-1.9 3,-1.1 -5,-0.2 -1,-0.3 -0.734 70.1 163.4-127.7 80.4 36.6 -7.5 7.0 40 41 A P T 3 S+ 0 0 81 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.554 76.2 52.6 -77.1 -7.0 39.8 -5.5 6.1 41 42 A S T 3 S+ 0 0 37 -33,-0.1 -29,-2.4 -30,-0.1 -28,-0.9 0.298 91.2 97.5-107.8 5.0 38.4 -4.3 2.8 42 43 A T E < - b 0 13A 0 -3,-1.1 -28,-0.2 -6,-0.2 2,-0.2 -0.878 64.7-146.7-103.4 125.8 35.3 -2.9 4.4 43 44 A R E - b 0 14A 32 -30,-3.0 -28,-2.5 -2,-0.5 2,-0.5 -0.540 11.2-144.2 -84.0 150.7 35.1 0.8 5.3 44 45 A F E -Ab 6 15A 0 -38,-1.8 -38,-2.7 -30,-0.2 2,-0.6 -0.982 12.6-171.3-124.2 125.4 33.2 1.8 8.4 45 46 A I E -Ab 5 16A 1 -30,-3.0 -28,-1.7 -2,-0.5 -40,-0.2 -0.950 2.6-176.8-117.8 113.0 31.1 5.0 8.7 46 47 A L E -A 4 0A 3 -42,-2.3 -42,-2.0 -2,-0.6 -28,-0.1 -0.806 15.8-163.0-110.6 88.1 29.8 5.9 12.1 47 48 A P - 0 0 11 0, 0.0 2,-0.5 0, 0.0 -28,-0.4 -0.120 16.7-118.9 -64.4 166.1 27.6 9.1 11.7 48 49 A Q - 0 0 22 -47,-0.3 -24,-0.1 -30,-0.1 -30,-0.1 -0.926 16.6-131.0-113.8 118.7 26.6 11.3 14.6 49 50 A A - 0 0 1 -2,-0.5 16,-0.2 -26,-0.3 -24,-0.1 -0.410 35.7-115.8 -63.3 141.4 23.0 11.9 15.5 50 51 A P - 0 0 41 0, 0.0 14,-2.7 0, 0.0 2,-0.6 -0.203 31.9 -90.9 -73.2 171.0 22.4 15.6 15.9 51 52 A S E +G 63 0B 84 12,-0.3 2,-0.3 10,-0.1 10,-0.1 -0.755 58.1 159.0 -88.9 121.0 21.4 17.3 19.1 52 53 A Q E -G 62 0B 45 10,-2.8 10,-2.1 -2,-0.6 2,-0.2 -0.936 46.7 -94.1-137.6 158.5 17.7 17.6 19.4 53 54 A A E -G 61 0B 48 -2,-0.3 2,-0.7 8,-0.2 8,-0.2 -0.527 33.4-147.1 -72.8 139.2 15.2 18.0 22.3 54 55 A V > - 0 0 0 6,-2.2 3,-2.9 3,-0.3 6,-0.5 -0.845 5.9-162.5-111.7 96.9 13.9 14.6 23.5 55 56 A T G > S+ 0 0 67 -2,-0.7 3,-0.7 1,-0.3 14,-0.2 0.877 89.4 55.6 -40.4 -55.6 10.3 15.1 24.6 56 57 A V G 3 S+ 0 0 26 12,-2.7 -1,-0.3 1,-0.3 13,-0.1 0.611 106.1 54.7 -58.7 -12.4 10.2 11.9 26.6 57 58 A N G X S- 0 0 50 -3,-2.9 3,-2.2 11,-0.2 2,-2.1 -0.417 128.4 -91.9-116.7 54.6 13.3 13.1 28.6 58 59 A G T < S- 0 0 70 -3,-0.7 -1,-0.1 1,-0.3 434,-0.1 -0.552 79.7 -61.1 72.6 -84.7 11.8 16.4 29.7 59 60 A G T 3 S+ 0 0 38 -2,-2.1 -1,-0.3 432,-0.1 -4,-0.2 0.119 82.2 163.6 179.3 22.5 13.2 18.2 26.7 60 61 A W < - 0 0 64 -3,-2.2 -6,-2.2 -6,-0.5 2,-0.7 -0.176 38.6-125.8 -53.2 146.9 16.9 17.7 27.1 61 62 A V E +GH 53 491B 45 430,-2.6 430,-2.9 -8,-0.2 -8,-0.2 -0.893 52.9 134.6-103.1 113.3 19.0 18.3 24.0 62 63 A M E -G 52 0B 6 -10,-2.1 -10,-2.8 -2,-0.7 2,-0.6 -0.803 67.2 -58.0-142.5 178.6 21.1 15.2 23.3 63 64 A P E +G 51 0B 16 0, 0.0 -41,-4.2 0, 0.0 2,-0.4 -0.552 67.6 163.1 -69.5 118.1 22.0 13.2 20.2 64 65 A S - 0 0 0 -14,-2.7 3,-0.1 -2,-0.6 -43,-0.1 -0.995 37.2-161.0-138.3 141.9 18.6 12.0 18.8 65 66 A W S S- 0 0 2 1,-0.4 20,-0.5 -2,-0.4 2,-0.3 0.790 87.9 -3.2 -87.5 -34.3 17.7 10.7 15.4 66 67 A Y S S- 0 0 0 18,-0.1 -1,-0.4 19,-0.1 2,-0.2 -0.975 85.7 -97.8-154.4 150.6 14.0 11.4 16.0 67 68 A D - 0 0 15 -2,-0.3 11,-2.7 11,-0.2 2,-0.7 -0.552 27.7-147.1 -77.1 138.4 12.1 12.8 18.9 68 69 A I B -J 77 0C 28 -2,-0.2 -12,-2.7 9,-0.2 9,-0.2 -0.934 12.3-173.0-107.1 110.0 10.4 10.2 21.1 69 70 A L + 0 0 87 7,-2.2 2,-0.2 -2,-0.7 8,-0.2 0.567 66.4 1.7 -80.6 -11.3 7.2 11.7 22.5 70 71 A A - 0 0 34 6,-0.9 -1,-0.2 3,-0.2 6,-0.2 -0.847 60.1-120.5-177.2 140.7 6.4 8.9 24.9 71 72 A F S S+ 0 0 173 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.763 94.0 80.0 -54.9 -23.4 7.6 5.5 26.2 72 73 A S S S+ 0 0 79 -3,-0.1 2,-0.2 4,-0.1 -1,-0.2 -0.997 79.1 20.4-150.1 143.6 4.3 4.2 24.8 73 74 A P S S- 0 0 39 0, 0.0 3,-0.5 0, 0.0 -3,-0.2 0.541 72.2-123.1 -80.8-162.3 3.1 3.4 22.3 74 75 A A S S+ 0 0 14 1,-0.2 -4,-0.1 -2,-0.2 -2,-0.0 0.898 110.4 55.2 -68.5 -44.4 5.7 2.5 19.6 75 76 A R S S+ 0 0 81 1,-0.2 2,-4.4 65,-0.1 -1,-0.2 0.645 74.8 112.8 -64.3 -17.1 4.5 5.1 17.1 76 77 A A + 0 0 21 -3,-0.5 -7,-2.2 -6,-0.2 -6,-0.9 -0.078 56.1 105.6 -54.7 47.9 4.9 7.9 19.7 77 78 A I B S-J 68 0C 16 -2,-4.4 2,-0.9 -9,-0.2 -9,-0.2 -0.839 82.7-101.0-131.5 163.5 7.7 9.5 17.7 78 79 A D > - 0 0 53 -11,-2.7 4,-1.4 -2,-0.3 3,-0.3 -0.773 34.6-164.9 -84.4 107.1 8.4 12.5 15.5 79 80 A E H > S+ 0 0 64 -2,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.747 80.1 58.0 -69.2 -23.4 8.2 10.9 12.1 80 81 A D H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.871 102.7 50.0 -77.3 -35.5 9.8 13.7 10.3 81 82 A Q H > S+ 0 0 41 -3,-0.3 4,-2.9 2,-0.2 5,-0.3 0.903 111.4 52.9 -67.0 -36.7 13.1 13.8 12.3 82 83 A L H X S+ 0 0 0 -4,-1.4 4,-2.8 1,-0.2 -2,-0.2 0.977 110.5 45.2 -58.2 -53.9 13.2 10.1 11.5 83 84 A N H X S+ 0 0 27 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.843 111.5 55.9 -58.2 -31.4 12.7 10.9 7.8 84 85 A A H X S+ 0 0 49 -4,-2.4 4,-1.5 2,-0.2 3,-0.5 0.995 110.3 41.2 -63.9 -63.1 15.4 13.6 8.2 85 86 A S H >X S+ 0 0 2 -4,-2.9 4,-1.7 -20,-0.5 3,-0.7 0.917 110.3 59.1 -50.4 -48.0 18.0 11.3 9.6 86 87 A A H >X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.3 3,-0.6 0.919 105.2 50.6 -46.1 -47.9 17.1 8.6 7.1 87 88 A D H 3X S+ 0 0 70 -4,-1.9 4,-2.1 -3,-0.5 -1,-0.3 0.852 102.6 59.9 -62.6 -33.3 17.9 11.1 4.4 88 89 A Q H X S+ 0 0 0 -4,-3.6 4,-2.0 1,-0.2 3,-0.5 0.992 108.7 44.4 -56.2 -62.8 24.9 5.7 1.0 94 95 A D H 3X S+ 0 0 67 -4,-2.1 4,-2.7 1,-0.3 -2,-0.2 0.873 106.4 59.8 -50.3 -45.6 25.1 7.5 -2.3 95 96 A E H 3X S+ 0 0 90 -4,-2.1 4,-2.1 1,-0.3 -1,-0.3 0.935 108.8 46.1 -49.2 -49.4 28.4 9.1 -1.5 96 97 A Q H <<>S+ 0 0 2 -4,-1.8 5,-2.6 -3,-0.5 -1,-0.3 0.878 108.5 54.3 -60.6 -42.3 29.8 5.6 -1.2 97 98 A R H ><5S+ 0 0 75 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.895 108.2 52.3 -59.6 -36.6 28.1 4.5 -4.4 98 99 A A H 3<5S+ 0 0 83 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.926 101.8 56.3 -64.1 -48.5 30.0 7.5 -6.0 99 100 A K T 3<5S- 0 0 137 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.361 130.1 -97.8 -68.5 8.7 33.4 6.4 -4.7 100 101 A G T < 5S+ 0 0 60 -3,-1.2 2,-0.2 1,-0.3 -3,-0.2 0.466 75.3 145.5 91.7 0.9 32.7 3.2 -6.5 101 102 A I < - 0 0 5 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.2 -0.554 47.7-121.3 -73.7 138.9 31.4 1.0 -3.6 102 103 A A > - 0 0 41 -90,-0.5 3,-1.5 -2,-0.2 -88,-0.2 -0.491 9.8-120.7 -83.6 149.5 28.7 -1.4 -4.8 103 104 A A G > S+ 0 0 9 1,-0.3 3,-3.1 2,-0.2 28,-0.6 0.947 112.4 49.5 -48.3 -65.1 25.1 -1.6 -3.6 104 105 A E G 3 S+ 0 0 115 1,-0.3 -1,-0.3 26,-0.2 26,-0.1 0.558 111.0 53.9 -56.6 -8.1 25.3 -5.3 -2.4 105 106 A R G < S+ 0 0 61 -3,-1.5 -91,-2.0 2,-0.0 2,-0.4 0.088 90.6 89.5-114.3 20.6 28.5 -4.3 -0.6 106 107 A I E < -c 14 0A 0 -3,-3.1 25,-2.9 -93,-0.2 26,-0.7 -0.979 57.5-175.3-115.2 126.9 26.9 -1.5 1.3 107 108 A I E -cd 15 132A 1 -93,-2.8 -91,-2.9 -2,-0.4 2,-0.4 -0.970 15.5-147.5-128.5 138.7 25.4 -2.3 4.7 108 109 A L E -cd 16 133A 0 24,-1.6 26,-2.3 -2,-0.4 2,-0.3 -0.817 18.0-174.7-102.3 144.4 23.4 -0.3 7.2 109 110 A A E +cd 17 134A 0 -93,-3.4 -91,-3.4 -2,-0.4 2,-0.3 -0.998 5.7 172.7-140.7 138.2 23.7 -0.9 11.0 110 111 A G E -cd 18 135A 0 24,-2.4 26,-2.8 -2,-0.3 2,-0.4 -0.954 19.6-152.4-153.9 136.0 21.9 0.4 14.0 111 112 A F E > S- d 0 136A 22 -93,-1.8 3,-1.9 -2,-0.3 26,-0.2 -0.786 71.3 -38.9 -99.1 139.3 21.6 -0.1 17.8 112 113 A S T >> S+ 0 0 14 24,-2.8 4,-1.4 -2,-0.4 3,-0.7 -0.156 141.1 10.2 44.8-119.7 18.4 0.9 19.6 113 114 A Q H 3> S+ 0 0 3 1,-0.2 4,-2.2 2,-0.2 3,-0.4 0.906 130.5 58.7 -54.3 -42.0 17.2 4.1 18.0 114 115 A G H <> S+ 0 0 0 -3,-1.9 4,-1.9 -95,-0.7 -1,-0.2 0.843 100.4 54.6 -55.1 -41.7 19.8 3.8 15.3 115 116 A G H <> S+ 0 0 0 -3,-0.7 4,-3.1 21,-0.3 5,-0.3 0.871 105.0 53.8 -62.7 -38.6 18.4 0.4 14.1 116 117 A A H X S+ 0 0 1 -4,-1.4 4,-3.5 -3,-0.4 5,-0.3 0.980 108.0 51.6 -59.0 -51.6 15.0 2.0 13.7 117 118 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.855 115.8 38.8 -52.4 -42.2 16.5 4.6 11.5 118 119 A V H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.3 0.855 114.0 53.3 -81.0 -35.4 18.3 2.1 9.2 119 120 A L H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 5,-0.2 0.975 113.5 45.2 -59.7 -50.0 15.5 -0.4 9.2 120 121 A H H X>S+ 0 0 4 -4,-3.5 4,-2.0 -5,-0.3 5,-1.7 0.918 112.8 52.3 -56.1 -47.4 13.2 2.5 8.1 121 122 A T H <>S+ 0 0 0 -4,-1.9 5,-2.3 -5,-0.3 4,-0.2 0.929 112.6 41.9 -56.6 -50.2 15.8 3.6 5.6 122 123 A A H <5S+ 0 0 0 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.895 128.1 26.9 -69.6 -39.8 16.2 0.3 3.9 123 124 A F H <5S+ 0 0 9 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.405 132.8 25.9-105.9 3.0 12.6 -0.8 3.7 124 125 A R T <5S+ 0 0 77 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.1 0.631 127.0 19.9-132.1 -42.9 10.7 2.5 3.7 125 126 A R T - 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