==== 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 18-JUN-09 2WKW . COMPND 2 MOLECULE: CARBOXYLESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES SP.; . AUTHOR P.C.BOURNE,M.N.ISUPOV,J.A.LITTLECHILD . 630 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22595.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 427 67.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 56 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.3 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 . 2 0.3 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 . 47 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 135 21.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.9 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 1 6 3 0 0 0 0 2 0 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 4 2 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 0 1 0 4 0 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 . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 1 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 8 A T 0 0 144 0, 0.0 2,-0.3 0, 0.0 83,-0.0 0.000 360.0 360.0 360.0 122.9 -6.5 21.2 37.0 2 9 A P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 85,-0.1 -0.441 360.0-160.9 -62.5 120.6 -5.1 24.0 39.3 3 10 A A + 0 0 94 -2,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.350 39.9 41.7 -95.8 176.1 -7.9 26.5 40.0 4 11 A G S S- 0 0 45 -2,-0.1 320,-0.0 321,-0.1 0, 0.0 -0.119 90.7 -27.2 83.4-176.6 -7.9 30.1 41.3 5 12 A P - 0 0 68 0, 0.0 2,-0.4 0, 0.0 320,-0.2 -0.131 50.1-137.6 -73.5 166.0 -5.8 33.1 40.5 6 13 A L E -A 324 0A 14 318,-2.3 318,-3.3 2,-0.0 2,-0.5 -0.995 10.1-152.5-127.3 131.3 -2.2 33.3 39.3 7 14 A T E -A 323 0A 36 -2,-0.4 44,-0.7 316,-0.2 2,-0.5 -0.866 7.7-159.3-107.6 132.2 0.4 35.7 40.5 8 15 A L E -AB 322 50A 1 314,-3.2 314,-2.6 -2,-0.5 3,-0.1 -0.946 18.2-160.2-112.3 127.5 3.3 36.8 38.4 9 16 A S E S- 0 0 69 40,-2.1 2,-0.3 -2,-0.5 -1,-0.1 0.847 82.7 -13.2 -66.5 -35.1 6.5 38.2 39.7 10 17 A G E - B 0 49A 18 39,-1.7 39,-3.1 -3,-0.1 2,-0.3 -0.995 57.4-171.5-161.4 160.2 7.0 39.6 36.2 11 18 A Q E + B 0 48A 9 -2,-0.3 2,-0.3 37,-0.2 37,-0.2 -0.987 21.2 127.6-149.7 154.1 6.0 39.6 32.5 12 19 A G E - B 0 47A 0 35,-2.1 35,-3.1 -2,-0.3 2,-0.3 -0.988 35.8-118.0 179.2-173.6 7.2 41.1 29.2 13 20 A S E + B 0 46A 3 -2,-0.3 2,-0.3 33,-0.2 33,-0.2 -0.980 28.8 153.6-144.4 147.6 8.2 40.7 25.6 14 21 A F E - B 0 45A 50 31,-2.0 31,-2.4 -2,-0.3 2,-0.3 -0.947 33.4-111.4-162.4 176.8 11.3 41.4 23.6 15 22 A F E - B 0 44A 18 -2,-0.3 2,-0.4 29,-0.2 29,-0.2 -0.884 16.5-148.4-121.0 150.6 13.0 40.3 20.4 16 23 A V E - B 0 43A 13 27,-1.8 27,-2.4 -2,-0.3 166,-0.1 -0.974 57.7 -25.7-118.2 131.7 16.2 38.4 19.9 17 24 A G + 0 0 20 -2,-0.4 25,-0.3 25,-0.2 2,-0.1 -0.293 59.6 160.5 75.9-148.7 18.6 38.8 16.9 18 25 A G - 0 0 34 23,-0.3 2,-0.3 24,-0.1 23,-0.2 -0.271 27.4-131.4 105.6 157.8 17.6 40.2 13.4 19 26 A R E -P 40 0B 130 21,-2.1 21,-2.7 -2,-0.1 2,-0.4 -0.972 20.7-115.4-142.8 148.7 19.6 41.6 10.6 20 27 A D E -P 39 0B 96 -2,-0.3 2,-0.4 19,-0.2 19,-0.2 -0.734 28.4-168.6 -87.5 136.8 19.0 44.8 8.6 21 28 A V E -P 38 0B 27 17,-2.8 17,-2.5 -2,-0.4 2,-0.5 -0.996 15.1-143.0-125.6 130.5 18.2 44.4 4.8 22 29 A T E -P 37 0B 86 -2,-0.4 2,-0.3 15,-0.2 15,-0.2 -0.839 28.8-175.5 -92.3 128.0 18.1 47.3 2.3 23 30 A S E -P 36 0B 9 13,-3.0 13,-1.9 -2,-0.5 3,-0.2 -0.905 32.8-160.0-126.2 152.6 15.4 46.7 -0.2 24 31 A E S S+ 0 0 114 -2,-0.3 3,-0.1 11,-0.2 11,-0.1 0.388 91.1 53.8-103.6 -0.3 14.2 48.5 -3.4 25 32 A T + 0 0 16 11,-0.1 86,-0.2 1,-0.1 10,-0.2 -0.137 57.3 125.4-132.8 39.9 10.7 47.0 -3.3 26 33 A L S S+ 0 0 0 8,-2.7 418,-1.6 -3,-0.2 2,-0.3 0.705 81.0 23.2 -72.2 -20.6 9.1 47.6 0.1 27 34 A S - 0 0 5 416,-0.2 416,-0.1 -3,-0.1 7,-0.1 -0.950 51.7-154.2-143.6 159.1 6.0 49.2 -1.5 28 35 A L S S+ 0 0 40 -2,-0.3 415,-0.1 414,-0.3 -1,-0.1 0.443 72.1 98.5-103.0 -11.1 4.1 49.2 -4.8 29 36 A S - 0 0 45 1,-0.1 5,-0.2 3,-0.1 -2,-0.1 -0.525 68.7-143.0 -92.2 144.8 2.7 52.7 -4.1 30 37 A P S S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.746 103.8 57.7 -71.0 -23.9 3.9 56.2 -5.4 31 38 A K S S+ 0 0 170 1,-0.1 2,-0.3 2,-0.1 -4,-0.0 0.962 102.9 54.6 -66.4 -55.2 3.0 57.6 -2.0 32 39 A Y S S- 0 0 79 1,-0.1 2,-0.4 2,-0.0 -5,-0.1 -0.660 93.3-109.1 -94.6 136.8 5.3 55.3 0.1 33 40 A D - 0 0 106 -2,-0.3 413,-0.3 1,-0.2 416,-0.1 -0.455 20.0-162.8 -71.1 118.3 9.0 54.9 -0.5 34 41 A A S S+ 0 0 25 -2,-0.4 -8,-2.7 -5,-0.2 2,-0.5 0.697 73.7 77.4 -70.7 -22.9 9.8 51.5 -1.9 35 42 A H + 0 0 81 -10,-0.2 2,-0.3 -11,-0.1 -11,-0.2 -0.797 66.3 98.6 -92.0 131.7 13.5 52.0 -1.0 36 43 A G E -P 23 0B 1 -13,-1.9 -13,-3.0 -2,-0.5 2,-0.4 -0.976 64.7 -84.1 174.2-179.7 14.5 51.5 2.7 37 44 A T E -P 22 0B 19 -2,-0.3 410,-2.3 -15,-0.2 2,-0.3 -0.920 36.4-178.7-111.8 132.6 15.9 49.3 5.4 38 45 A V E -P 21 0B 12 -17,-2.5 -17,-2.8 -2,-0.4 2,-0.5 -0.882 25.2-124.2-122.9 160.6 13.9 46.7 7.3 39 46 A T E +P 20 0B 10 439,-0.4 2,-0.3 -2,-0.3 -19,-0.2 -0.909 35.5 173.6-105.6 130.1 14.9 44.3 10.1 40 47 A V E +P 19 0B 3 -21,-2.7 -21,-2.1 -2,-0.5 65,-0.1 -0.899 50.0 36.8-134.5 160.8 14.2 40.6 9.5 41 48 A D S S+ 0 0 23 63,-1.3 -23,-0.3 -2,-0.3 57,-0.2 0.250 73.3 141.1 80.6 -8.4 14.9 37.2 11.2 42 49 A Q - 0 0 0 -25,-0.3 57,-0.5 -23,-0.2 2,-0.5 -0.289 47.9-131.0 -57.2 151.7 14.4 38.6 14.7 43 50 A M E -B 16 0A 0 -27,-2.4 -27,-1.8 55,-0.1 2,-0.2 -0.955 9.6-134.3-117.0 118.3 12.6 36.2 17.1 44 51 A Y E -BC 15 96A 0 52,-0.7 52,-1.7 -2,-0.5 2,-0.4 -0.494 24.2-171.7 -66.0 133.8 9.6 37.3 19.2 45 52 A V E -BC 14 95A 0 -31,-2.4 -31,-2.0 50,-0.2 2,-0.5 -0.993 10.9-169.9-134.7 125.7 9.7 36.2 22.9 46 53 A R E -BC 13 94A 11 48,-2.7 48,-3.4 -2,-0.4 2,-0.4 -0.973 16.1-169.1-112.2 125.8 7.0 36.5 25.5 47 54 A Y E -BC 12 93A 54 -35,-3.1 -35,-2.1 -2,-0.5 2,-0.4 -0.913 15.1-173.4-119.4 146.1 8.0 35.7 29.1 48 55 A Q E -BC 11 92A 8 44,-2.0 44,-2.3 -2,-0.4 -37,-0.2 -0.998 9.2-159.6-132.4 137.9 6.1 35.2 32.4 49 56 A I E -B 10 0A 44 -39,-3.1 -40,-2.1 -2,-0.4 -39,-1.7 -0.965 7.8-151.9-120.9 116.1 7.8 34.7 35.7 50 57 A P E > -B 8 0A 7 0, 0.0 3,-0.8 0, 0.0 -42,-0.2 -0.342 37.2 -84.2 -77.3 169.0 6.0 33.1 38.7 51 58 A Q T 3 S+ 0 0 77 -44,-0.7 3,-0.1 1,-0.3 -44,-0.0 -0.451 115.4 11.5 -68.5 147.2 6.8 34.0 42.3 52 59 A R T 3 S- 0 0 216 1,-0.1 -1,-0.3 -2,-0.1 -3,-0.0 0.885 96.7-157.8 49.5 47.4 9.7 32.0 43.7 53 60 A A < - 0 0 40 -3,-0.8 37,-0.2 1,-0.1 -1,-0.1 -0.161 16.6-105.0 -56.5 142.4 10.5 30.8 40.2 54 61 A K - 0 0 106 35,-3.0 37,-0.3 2,-0.1 -1,-0.1 -0.256 36.1-103.4 -63.7 160.3 12.6 27.6 39.7 55 62 A R S S+ 0 0 139 1,-0.1 -1,-0.1 35,-0.1 -2,-0.1 0.842 104.4 49.1 -57.7 -43.3 16.2 28.1 38.7 56 63 A Y S S- 0 0 67 137,-0.1 137,-0.2 161,-0.0 -2,-0.1 -0.901 75.0-146.7-107.7 120.6 15.8 27.1 35.0 57 64 A P - 0 0 12 0, 0.0 137,-2.7 0, 0.0 2,-0.5 -0.415 18.9-123.6 -71.4 158.4 13.1 28.6 32.8 58 65 A I E -de 92 194A 0 33,-2.8 35,-2.4 135,-0.2 2,-0.6 -0.915 16.3-152.9-104.1 130.0 11.4 26.6 30.1 59 66 A T E -de 93 195A 0 135,-3.4 137,-3.0 -2,-0.5 2,-0.5 -0.922 11.7-150.2-102.7 120.2 11.6 27.9 26.5 60 67 A L E -de 94 196A 0 33,-2.5 35,-1.7 -2,-0.6 2,-0.5 -0.820 11.6-169.6-101.4 125.7 8.7 26.7 24.4 61 68 A I E - e 0 197A 0 135,-2.9 137,-0.6 -2,-0.5 140,-0.1 -0.928 9.8-148.0-124.2 107.3 9.3 26.3 20.7 62 69 A H - 0 0 0 -2,-0.5 136,-0.2 33,-0.4 6,-0.1 -0.173 11.5-131.1 -73.3 168.6 6.4 25.6 18.3 63 70 A G > - 0 0 0 1,-0.3 3,-0.6 4,-0.2 34,-0.2 0.158 46.5 -40.1 -96.5-150.0 6.5 23.6 15.0 64 71 A C T 3 S+ 0 0 41 1,-0.2 -1,-0.3 134,-0.1 3,-0.1 -0.293 116.5 16.3 -72.2 161.4 5.3 24.3 11.4 65 72 A C T 3 S+ 0 0 1 1,-0.1 101,-1.3 62,-0.1 2,-0.3 0.623 115.1 73.4 64.8 15.0 2.1 25.9 10.4 66 73 A L < - 0 0 4 -3,-0.6 2,-0.2 99,-0.3 99,-0.1 -0.893 63.0-141.9-151.0 173.2 1.6 27.4 13.9 67 74 A T > - 0 0 0 97,-0.4 3,-2.2 -2,-0.3 -4,-0.2 -0.585 53.5 -69.0-129.0-166.7 2.8 30.0 16.4 68 75 A G G > S+ 0 0 0 1,-0.3 3,-1.7 -2,-0.2 4,-0.3 0.653 117.0 85.3 -63.9 -16.6 3.4 30.3 20.2 69 76 A M G > + 0 0 4 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.789 69.9 83.0 -50.9 -27.7 -0.4 30.1 20.4 70 77 A T G < S+ 0 0 1 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.865 96.8 36.8 -38.9 -45.7 0.4 26.3 20.3 71 78 A W G < S+ 0 0 0 -3,-1.7 11,-2.3 -4,-0.1 12,-0.4 0.350 105.2 80.4 -97.7 -0.7 1.1 26.4 24.1 72 79 A E S < S- 0 0 10 -3,-1.7 9,-0.2 -4,-0.3 10,-0.1 0.139 101.3 -18.6 -89.9-153.6 -1.6 28.9 25.2 73 80 A T S S- 0 0 15 7,-0.1 -1,-0.3 6,-0.1 6,-0.2 -0.238 80.7-113.2 -49.6 132.3 -5.3 28.1 25.8 74 81 A T > - 0 0 4 4,-2.6 3,-2.4 -3,-0.1 255,-0.1 -0.244 30.6 -99.8 -62.9 161.9 -6.2 24.8 24.0 75 82 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.797 126.2 50.5 -53.8 -30.6 -8.6 25.0 21.0 76 83 A D T 3 S- 0 0 48 219,-0.2 -2,-0.1 84,-0.1 82,-0.0 0.211 125.8 -99.8 -96.4 12.6 -11.4 23.8 23.3 77 84 A G S < S+ 0 0 54 -3,-2.4 2,-0.2 1,-0.2 -4,-0.1 0.638 75.8 132.8 89.2 17.7 -10.7 26.5 26.0 78 85 A R - 0 0 70 1,-0.1 -4,-2.6 217,-0.1 -1,-0.2 -0.565 66.8 -73.7 -99.0 164.1 -8.7 24.6 28.6 79 86 A M - 0 0 23 -6,-0.2 -1,-0.1 -2,-0.2 2,-0.1 -0.285 50.6-147.8 -53.3 131.1 -5.4 25.5 30.4 80 87 A G > - 0 0 2 -6,-0.1 4,-2.2 -3,-0.1 -8,-0.1 -0.381 29.4 -96.6 -93.2 176.3 -2.3 25.2 28.1 81 88 A W H > S+ 0 0 0 213,-0.3 4,-3.2 -9,-0.2 5,-0.3 0.805 119.2 62.5 -63.6 -31.4 1.2 24.2 29.0 82 89 A D H > S+ 0 0 12 -11,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.986 111.2 36.0 -60.0 -58.2 2.3 27.8 29.2 83 90 A E H > S+ 0 0 26 -12,-0.4 4,-2.5 1,-0.2 -2,-0.2 0.893 118.1 53.7 -58.4 -42.3 -0.1 28.6 32.1 84 91 A Y H X S+ 0 0 12 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.923 107.6 48.6 -62.3 -44.8 0.4 25.2 33.6 85 92 A F H <>S+ 0 0 0 -4,-3.2 5,-2.6 2,-0.2 3,-0.2 0.905 111.0 52.0 -61.0 -43.2 4.2 25.5 33.8 86 93 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.9 -5,-0.3 -2,-0.2 0.932 108.3 50.2 -56.2 -50.3 3.8 28.9 35.4 87 94 A R H 3<5S+ 0 0 56 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.751 106.6 56.9 -61.3 -24.4 1.5 27.5 38.0 88 95 A K T 3<5S- 0 0 97 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.293 127.8 -98.2 -90.4 7.4 4.1 24.7 38.7 89 96 A G T < 5S+ 0 0 16 -3,-1.9 -35,-3.0 1,-0.3 2,-0.5 0.560 80.2 131.5 92.2 9.8 6.8 27.4 39.4 90 97 A Y < - 0 0 18 -5,-2.6 -1,-0.3 -37,-0.2 2,-0.2 -0.832 54.5-131.4 -98.7 131.3 8.6 27.6 36.1 91 98 A S - 0 0 8 -2,-0.5 -33,-2.8 -37,-0.3 2,-0.4 -0.551 30.9-150.3 -65.8 140.1 9.4 30.8 34.3 92 99 A T E -Cd 48 58A 1 -44,-2.3 -44,-2.0 -35,-0.2 2,-0.5 -0.957 19.3-167.0-124.0 138.9 8.3 30.4 30.6 93 100 A Y E -Cd 47 59A 20 -35,-2.4 -33,-2.5 -2,-0.4 2,-0.6 -0.974 13.7-169.2-120.6 108.8 9.6 32.0 27.4 94 101 A V E -Cd 46 60A 2 -48,-3.4 -48,-2.7 -2,-0.5 2,-0.2 -0.905 11.1-166.2-106.1 122.0 7.2 31.4 24.5 95 102 A I E -C 45 0A 0 -35,-1.7 2,-0.5 -2,-0.6 -33,-0.4 -0.619 27.0-142.2-102.2 158.7 8.5 32.3 21.1 96 103 A D E -C 44 0A 0 -52,-1.7 -52,-0.7 -2,-0.2 3,-0.1 -0.998 43.8-115.7-101.6 126.8 7.3 32.9 17.6 97 104 A Q > - 0 0 0 -2,-0.5 3,-1.8 -34,-0.2 6,-0.3 -0.172 42.9 -80.3 -51.6 152.1 10.0 31.4 15.3 98 105 A S T 3 S+ 0 0 1 1,-0.3 81,-0.2 -57,-0.2 -55,-0.1 -0.295 122.6 20.1 -46.5 136.1 11.9 33.8 13.0 99 106 A G T 3 S+ 0 0 3 -57,-0.5 70,-0.4 5,-0.4 2,-0.3 0.654 111.1 92.7 71.7 17.5 9.6 34.4 10.0 100 107 A R S X S- 0 0 6 -3,-1.8 3,-2.3 -4,-0.1 -1,-0.2 -0.988 87.4 -24.6-138.6 149.8 6.4 33.3 11.8 101 108 A G T 3 S- 0 0 20 -2,-0.3 316,-0.4 316,-0.3 318,-0.1 -0.277 132.2 -2.3 57.6-126.7 3.7 35.1 13.8 102 109 A R T 3 S+ 0 0 0 314,-0.1 2,-0.6 2,-0.1 -1,-0.3 0.431 113.5 96.8 -81.2 0.4 5.0 38.4 15.3 103 110 A S S < S- 0 0 2 -3,-2.3 -60,-0.1 -6,-0.3 377,-0.1 -0.844 84.4-110.7 -96.1 118.5 8.5 37.7 14.0 104 111 A A - 0 0 2 -2,-0.6 -63,-1.3 375,-0.4 -5,-0.4 -0.155 27.2-163.4 -60.1 134.9 9.0 39.7 10.7 105 112 A T - 0 0 25 -65,-0.1 2,-0.6 -6,-0.1 -66,-0.1 -0.499 27.5-113.9 -93.0 172.6 9.3 38.2 7.2 106 113 A D - 0 0 48 -2,-0.2 3,-0.3 1,-0.1 4,-0.1 -0.972 25.5-175.3-109.6 116.7 10.7 40.1 4.2 107 114 A I >> + 0 0 0 -2,-0.6 4,-1.8 1,-0.2 3,-0.7 0.314 54.0 108.4 -91.1 7.7 8.0 40.7 1.5 108 115 A S H 3> S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.857 74.4 52.7 -53.4 -44.1 10.5 42.3 -0.9 109 116 A A H 3> S+ 0 0 40 -3,-0.3 4,-1.3 1,-0.2 -1,-0.2 0.812 106.9 52.3 -66.0 -32.5 10.5 39.4 -3.4 110 117 A I H <> S+ 0 0 1 -3,-0.7 4,-2.1 2,-0.2 3,-0.2 0.949 111.9 46.0 -68.3 -45.6 6.7 39.3 -3.7 111 118 A N H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 6,-0.2 0.884 106.0 59.9 -64.6 -37.8 6.6 43.0 -4.6 112 119 A A H <>S+ 0 0 15 -4,-2.2 5,-2.5 1,-0.2 6,-0.9 0.894 108.5 44.7 -57.0 -40.2 9.4 42.7 -7.0 113 120 A V H ><5S+ 0 0 7 -4,-1.3 3,-2.1 -3,-0.2 -1,-0.2 0.932 110.9 51.9 -72.4 -44.3 7.4 40.2 -9.1 114 121 A K H 3<5S+ 0 0 67 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.834 108.1 54.1 -61.4 -30.6 4.2 42.2 -8.9 115 122 A L T 3<5S- 0 0 69 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.406 115.9-117.8 -80.9 2.2 6.2 45.2 -10.2 116 123 A G T < 5S+ 0 0 67 -3,-2.1 -3,-0.2 2,-0.2 -2,-0.1 0.664 86.2 114.6 69.2 18.4 7.4 43.2 -13.2 117 124 A K S - 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