==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-FEB-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-OCT-10 3P24 . COMPND 2 MOLECULE: BFT-3; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR T.GOULAS,J.L.AROLAS,F.X.GOMIS-RUTH . 1423 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61429.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 960 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 156 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 208 14.6 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 . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 16 1.1 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 . 106 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 158 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 287 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 2 0 0 1 3 8 4 0 1 2 2 0 6 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 7 2 2 8 8 0 0 0 4 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 . 6 4 8 12 4 0 4 4 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 . 0 6 1 0 0 4 4 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 33 A P 0 0 181 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 119.6 24.9 -17.5 18.7 2 34 A V - 0 0 148 1,-0.0 2,-0.2 0, 0.0 0, 0.0 -0.803 360.0-108.7 -91.3 135.8 28.4 -17.1 20.3 3 35 A T - 0 0 59 -2,-0.4 27,-0.1 1,-0.1 -1,-0.0 -0.455 32.6-110.0 -71.6 133.6 28.3 -16.1 23.9 4 36 A A E -a 30 0A 26 25,-0.5 27,-2.6 -2,-0.2 2,-0.3 -0.250 42.8-169.3 -54.7 146.0 29.4 -12.5 24.7 5 37 A S E -a 31 0A 51 25,-0.2 2,-0.5 35,-0.1 27,-0.2 -0.976 24.6-147.3-143.8 155.6 32.7 -12.3 26.6 6 38 A I E -a 32 0A 2 25,-2.9 27,-2.6 -2,-0.3 2,-0.9 -0.986 16.6-148.1-124.1 117.7 34.9 -9.9 28.5 7 39 A D E > -a 33 0A 59 -2,-0.5 3,-1.8 25,-0.2 4,-0.4 -0.763 7.5-165.9 -87.4 106.2 38.7 -10.5 28.2 8 40 A L T 3 S+ 0 0 2 25,-3.0 26,-0.2 -2,-0.9 -1,-0.1 0.614 82.1 69.2 -73.5 -11.9 40.1 -9.3 31.6 9 41 A Q T 3 S+ 0 0 66 24,-0.4 118,-0.4 1,-0.2 -1,-0.3 0.584 121.7 16.7 -74.6 -12.7 43.7 -9.3 30.2 10 42 A S S < S+ 0 0 0 -3,-1.8 -2,-0.2 118,-0.1 -1,-0.2 0.184 86.3 157.6-138.9 16.2 42.7 -6.3 28.1 11 43 A V + 0 0 0 -4,-0.4 2,-0.2 -5,-0.1 115,-0.1 -0.248 15.2 177.4 -64.1 123.7 39.4 -5.0 29.6 12 44 A S > - 0 0 8 81,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.657 45.5-101.5-112.6 172.2 38.7 -1.3 28.8 13 45 A Y H > S+ 0 0 7 126,-0.4 4,-3.2 81,-0.3 5,-0.3 0.938 123.7 52.5 -56.2 -47.6 35.8 1.1 29.5 14 46 A T H > S+ 0 0 64 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.875 106.9 53.8 -63.5 -35.0 34.5 0.6 26.0 15 47 A D H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.962 114.3 39.9 -58.5 -54.6 34.5 -3.3 26.5 16 48 A L H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.937 117.4 48.5 -63.5 -44.5 32.4 -3.0 29.7 17 49 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.916 111.5 48.6 -63.3 -45.4 30.1 -0.3 28.4 18 50 A T H X S+ 0 0 66 -4,-2.4 4,-0.5 -5,-0.3 -1,-0.2 0.904 117.2 42.0 -65.1 -38.8 29.4 -2.1 25.1 19 51 A Q H >< S+ 0 0 45 -4,-1.9 3,-0.7 -5,-0.2 4,-0.2 0.939 118.3 43.9 -73.4 -47.7 28.6 -5.4 26.8 20 52 A L H >< S+ 0 0 1 -4,-2.9 3,-1.6 1,-0.2 -2,-0.2 0.876 108.5 57.3 -67.3 -36.7 26.6 -3.9 29.7 21 53 A N H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.696 102.2 58.5 -66.5 -16.6 24.6 -1.5 27.5 22 54 A D T << S+ 0 0 53 -3,-0.7 2,-0.5 -4,-0.5 -1,-0.3 0.488 77.7 113.4 -89.2 -4.5 23.5 -4.6 25.5 23 55 A V < - 0 0 2 -3,-1.6 5,-0.1 -4,-0.2 2,-0.1 -0.592 53.9-159.8 -73.0 118.7 21.9 -6.2 28.7 24 56 A S > - 0 0 23 -2,-0.5 3,-2.0 3,-0.3 21,-0.5 -0.262 37.4 -88.9 -89.2 180.0 18.1 -6.3 28.2 25 57 A D T 3 S+ 0 0 74 1,-0.3 3,-0.1 381,-0.2 -1,-0.1 0.657 128.5 54.6 -65.8 -15.2 15.3 -6.6 30.7 26 58 A F T 3 S- 0 0 107 1,-0.2 -1,-0.3 18,-0.0 18,-0.0 0.287 112.5-121.5-101.0 5.5 15.7 -10.4 30.4 27 59 A G < - 0 0 14 -3,-2.0 2,-0.3 1,-0.1 -3,-0.3 0.058 18.8-113.8 76.8 173.9 19.4 -10.4 31.2 28 60 A K E - B 0 43A 29 15,-2.0 15,-3.0 -5,-0.1 2,-0.4 -0.996 14.1-122.6-153.3 133.8 22.4 -11.7 29.2 29 61 A M E - B 0 42A 62 -2,-0.3 -25,-0.5 13,-0.2 2,-0.4 -0.701 33.8-178.0 -79.9 129.1 25.0 -14.4 29.6 30 62 A I E -aB 4 41A 0 11,-3.0 11,-3.0 -2,-0.4 2,-0.6 -1.000 19.4-141.6-130.6 132.3 28.5 -13.0 29.7 31 63 A I E -aB 5 40A 30 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.6 -0.850 9.7-153.2 -92.3 120.8 31.7 -15.0 29.9 32 64 A L E -aB 6 39A 0 7,-3.4 7,-2.5 -2,-0.6 2,-0.4 -0.843 20.0-172.2 -89.7 121.8 34.5 -13.5 32.1 33 65 A K E +aB 7 38A 54 -27,-2.6 -25,-3.0 -2,-0.6 -24,-0.4 -0.946 22.3 169.3-121.1 140.2 37.9 -14.7 30.8 34 66 A D E > - B 0 37A 21 3,-2.7 3,-2.4 1,-0.4 2,-0.1 -0.733 68.6 -71.7-148.6 88.7 41.4 -14.3 32.3 35 67 A N T 3 S- 0 0 130 1,-0.3 -1,-0.4 -2,-0.2 -27,-0.1 -0.397 122.9 -3.3 50.0-121.9 43.8 -16.5 30.5 36 68 A G T 3 S+ 0 0 82 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.2 0.706 117.6 96.2 -67.4 -20.1 42.9 -20.0 31.8 37 69 A F E < +B 34 0A 36 -3,-2.4 -3,-2.7 2,-0.0 2,-0.3 -0.522 50.8 172.5 -76.5 136.4 40.2 -18.7 34.1 38 70 A N E +B 33 0A 96 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.974 8.8 173.5-148.3 127.6 36.7 -18.7 32.7 39 71 A R E -B 32 0A 62 -7,-2.5 -7,-3.4 -2,-0.3 2,-0.5 -0.978 20.2-147.9-140.5 127.4 33.4 -17.9 34.4 40 72 A Q E -B 31 0A 83 -2,-0.4 2,-0.4 -9,-0.2 -9,-0.2 -0.808 24.1-176.7 -92.0 126.5 29.9 -17.6 32.8 41 73 A V E -B 30 0A 0 -11,-3.0 -11,-3.0 -2,-0.5 2,-0.7 -0.942 25.3-136.6-125.2 145.3 27.7 -15.1 34.5 42 74 A H E -B 29 0A 61 -2,-0.4 2,-0.4 -13,-0.2 22,-0.3 -0.919 29.2-160.3-102.1 115.2 24.1 -14.1 34.0 43 75 A V E +B 28 0A 0 -15,-3.0 -15,-2.0 -2,-0.7 2,-0.3 -0.772 13.3 177.9-103.3 137.9 23.9 -10.4 34.2 44 76 A S E -C 62 0B 39 18,-2.4 18,-2.6 -2,-0.4 2,-0.2 -0.969 35.2-104.6-134.1 150.6 20.8 -8.3 34.8 45 77 A M E -C 61 0B 41 -21,-0.5 2,-0.9 -2,-0.3 16,-0.3 -0.510 34.6-124.8 -66.9 138.5 20.2 -4.6 35.1 46 78 A D + 0 0 13 14,-2.7 14,-0.4 -2,-0.2 3,-0.3 -0.808 32.0 177.1 -87.8 107.6 19.6 -3.6 38.8 47 79 A K + 0 0 89 -2,-0.9 337,-0.2 1,-0.2 -1,-0.1 0.381 66.5 71.6 -92.2 1.5 16.2 -1.8 38.6 48 80 A R S S+ 0 0 54 1,-0.1 2,-0.4 172,-0.0 173,-0.3 0.782 92.6 52.8 -87.0 -31.6 16.0 -1.3 42.4 49 81 A T - 0 0 10 -3,-0.3 2,-0.4 171,-0.2 11,-0.3 -0.910 58.3-166.4-119.3 132.9 18.6 1.4 42.9 50 82 A K E -i 222 0C 56 171,-2.0 173,-2.9 -2,-0.4 2,-0.4 -0.930 10.5-173.4-112.6 145.8 19.2 4.8 41.2 51 83 A I E +iJ 223 58C 0 7,-0.7 7,-2.6 -2,-0.4 2,-0.4 -0.982 11.6 179.2-137.0 130.3 22.4 6.8 41.5 52 84 A Q E -iJ 224 57C 8 171,-2.3 173,-1.3 -2,-0.4 2,-0.6 -0.998 10.3-163.2-119.8 137.6 23.4 10.2 40.4 53 85 A L E > S-iJ 225 56C 4 3,-2.5 3,-2.1 -2,-0.4 173,-0.1 -0.952 86.1 -26.7-112.5 107.1 26.9 11.5 41.1 54 86 A D T 3 S- 0 0 52 171,-2.3 -1,-0.2 -2,-0.6 172,-0.1 0.926 129.2 -48.9 50.5 46.8 26.7 15.3 40.6 55 87 A N T 3 S+ 0 0 23 170,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.437 110.3 129.3 70.7 7.1 23.8 14.6 38.1 56 88 A E E < -J 53 0C 47 -3,-2.1 -3,-2.5 379,-0.0 2,-0.3 -0.787 60.3-126.6 -92.1 122.8 25.8 11.9 36.3 57 89 A N E -J 52 0C 15 -2,-0.5 18,-0.5 -5,-0.2 2,-0.5 -0.575 24.7-167.9 -79.2 131.3 23.7 8.8 36.0 58 90 A V E -J 51 0C 4 -7,-2.6 -7,-0.7 -2,-0.3 2,-0.3 -0.978 3.8-158.8-123.1 125.7 25.2 5.5 37.3 59 91 A R E - D 0 73B 59 14,-3.0 14,-2.8 -2,-0.5 2,-0.3 -0.794 4.1-149.7-107.8 142.9 23.7 2.2 36.5 60 92 A L E - D 0 72B 3 -14,-0.4 -14,-2.7 -2,-0.3 2,-0.3 -0.837 8.3-166.2-112.0 150.1 24.2 -1.1 38.5 61 93 A F E -CD 45 71B 3 10,-2.3 10,-2.5 -2,-0.3 2,-0.4 -0.982 5.5-154.1-136.2 148.2 24.1 -4.6 37.2 62 94 A N E -CD 44 70B 24 -18,-2.6 -18,-2.4 -2,-0.3 8,-0.2 -0.928 6.3-149.1-122.4 143.9 24.0 -7.9 39.1 63 95 A G - 0 0 12 6,-2.6 -20,-0.2 -2,-0.4 2,-0.1 -0.378 47.5 -80.2 -84.9-179.3 25.0 -11.5 38.5 64 96 A R >>> - 0 0 82 -22,-0.3 3,-1.2 -2,-0.1 4,-0.8 -0.402 47.4-103.9 -68.6 161.7 23.1 -14.4 40.0 65 97 A D G >45S+ 0 0 159 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.951 125.5 53.4 -52.4 -48.4 24.0 -15.1 43.7 66 98 A K G 345S+ 0 0 162 1,-0.2 -1,-0.3 2,-0.1 0, 0.0 0.659 102.2 60.8 -62.4 -16.8 26.0 -18.1 42.5 67 99 A D G <45S- 0 0 4 -3,-1.2 16,-0.3 -25,-0.1 -1,-0.2 0.687 87.0-152.2 -82.4 -23.9 28.0 -15.8 40.1 68 100 A S T <<5 + 0 0 57 -3,-1.4 15,-1.2 -4,-0.8 2,-0.4 0.895 49.0 131.7 50.6 52.5 29.4 -13.5 42.8 69 101 A T E < + E 0 82B 7 -5,-0.5 -6,-2.6 13,-0.2 2,-0.3 -0.998 33.5 177.2-147.6 130.5 29.6 -10.6 40.4 70 102 A N E -DE 62 81B 24 11,-2.7 11,-2.7 -2,-0.4 2,-0.3 -0.955 9.1-163.3-128.4 146.9 28.5 -6.9 40.4 71 103 A F E -DE 61 80B 0 -10,-2.5 -10,-2.3 -2,-0.3 2,-0.4 -0.957 5.0-163.1-130.4 154.2 29.0 -4.2 37.8 72 104 A I E -DE 60 79B 1 7,-2.3 7,-2.6 -2,-0.3 2,-0.4 -0.995 10.3-172.8-129.9 136.2 28.8 -0.4 37.8 73 105 A L E +DE 59 78B 0 -14,-2.8 -14,-3.0 -2,-0.4 2,-0.3 -0.962 13.0 156.9-138.4 119.6 28.5 1.8 34.7 74 106 A G - 0 0 3 3,-3.2 -16,-0.1 -2,-0.4 -2,-0.0 -0.735 56.2-102.5-114.8 177.3 28.6 5.5 34.2 75 107 A D S S+ 0 0 5 -18,-0.5 3,-0.1 -2,-0.3 -17,-0.1 0.784 123.1 39.0 -65.5 -28.2 29.4 7.6 31.2 76 108 A E S S+ 0 0 48 1,-0.2 19,-2.2 19,-0.1 20,-0.4 0.630 124.6 8.0-101.1 -19.4 32.9 8.2 32.7 77 109 A F E - F 0 94B 2 17,-0.3 -3,-3.2 18,-0.1 2,-0.3 -0.984 52.6-156.0-158.1 161.7 33.8 4.9 34.3 78 110 A A E -EF 73 93B 0 15,-2.5 15,-2.8 -2,-0.3 2,-0.4 -0.987 8.8-160.8-143.9 152.5 32.9 1.3 34.7 79 111 A V E -EF 72 92B 6 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.4 -0.997 8.9-169.1-137.0 138.0 33.6 -1.4 37.4 80 112 A L E -EF 71 91B 0 11,-2.1 11,-3.3 -2,-0.4 2,-0.4 -0.999 15.2-179.5-118.9 124.1 33.5 -5.2 37.5 81 113 A R E +EF 70 90B 21 -11,-2.7 -11,-2.7 -2,-0.4 2,-0.3 -0.994 12.7 147.9-125.3 129.4 33.8 -6.7 40.9 82 114 A F E -EF 69 89B 0 7,-2.3 7,-3.1 -2,-0.4 2,-0.4 -0.919 39.8-104.7-148.8 174.6 33.8 -10.4 41.6 83 115 A Y E + F 0 88B 73 -15,-1.2 2,-0.4 -2,-0.3 5,-0.2 -0.870 25.4 177.7-111.4 137.1 35.2 -13.0 43.9 84 116 A R E > S- F 0 87B 61 3,-2.2 3,-1.4 -2,-0.4 -2,-0.0 -0.986 79.8 -7.7-134.4 127.9 38.0 -15.5 43.2 85 117 A N T 3 S- 0 0 153 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.851 130.7 -57.6 54.5 37.6 39.1 -17.8 45.9 86 118 A G T 3 S+ 0 0 69 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.680 113.4 119.7 68.1 19.6 36.9 -15.9 48.4 87 119 A E E < -F 84 0B 37 -3,-1.4 -3,-2.2 59,-0.0 2,-0.4 -0.963 64.9-123.0-120.3 136.6 38.7 -12.6 47.6 88 120 A S E -F 83 0B 8 -2,-0.4 57,-1.4 -5,-0.2 58,-0.6 -0.636 29.9-173.6 -81.0 125.9 37.1 -9.5 46.2 89 121 A I E -FG 82 144B 11 -7,-3.1 -7,-2.3 -2,-0.4 2,-0.5 -0.980 5.1-162.0-124.3 128.6 38.7 -8.3 42.9 90 122 A S E -FG 81 143B 6 53,-2.8 53,-2.6 -2,-0.4 2,-0.5 -0.942 9.6-161.8-113.6 130.5 37.8 -5.0 41.1 91 123 A Y E -FG 80 142B 5 -11,-3.3 -11,-2.1 -2,-0.5 2,-0.5 -0.967 18.2-168.3-102.5 123.9 38.5 -4.1 37.5 92 124 A I E +FG 79 141B 0 49,-2.8 49,-2.3 -2,-0.5 2,-0.4 -0.971 7.7 178.6-124.1 118.3 38.2 -0.3 37.3 93 125 A A E -F 78 0B 0 -15,-2.8 -15,-2.5 -2,-0.5 2,-0.4 -0.984 11.3-162.3-127.9 120.3 38.1 1.4 33.8 94 126 A Y E -F 77 0B 10 -2,-0.4 -81,-0.3 -17,-0.2 -17,-0.3 -0.834 17.5-138.6-100.3 142.8 37.7 5.1 33.1 95 127 A K S S+ 0 0 44 -19,-2.2 2,-0.3 -2,-0.4 -18,-0.1 0.880 81.2 72.2 -63.2 -49.4 36.7 6.3 29.7 96 128 A E S > S- 0 0 106 -20,-0.4 4,-2.7 1,-0.1 5,-0.2 -0.607 76.7-137.6 -78.9 130.6 39.0 9.3 29.2 97 129 A A H > S+ 0 0 60 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.906 102.5 47.5 -51.4 -48.9 42.7 8.5 28.7 98 130 A Q H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.890 113.4 47.2 -67.1 -38.8 43.9 11.3 31.0 99 131 A M H > S+ 0 0 68 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.900 111.4 51.3 -66.8 -40.1 41.5 10.3 33.8 100 132 A M H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.912 110.4 48.9 -64.0 -41.4 42.4 6.7 33.5 101 133 A N H X S+ 0 0 32 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.930 112.5 48.9 -61.5 -45.1 46.1 7.5 33.7 102 134 A E H X S+ 0 0 99 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.916 112.5 47.3 -59.7 -47.6 45.4 9.7 36.8 103 135 A I H X S+ 0 0 2 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.911 111.9 50.4 -61.7 -43.9 43.4 6.9 38.4 104 136 A A H X S+ 0 0 5 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.912 111.1 48.3 -62.0 -41.5 46.1 4.3 37.7 105 137 A E H X S+ 0 0 117 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.903 110.9 53.2 -63.1 -42.2 48.8 6.6 39.2 106 138 A F H < S+ 0 0 27 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.911 115.2 38.1 -59.3 -48.3 46.5 7.1 42.2 107 139 A Y H < S+ 0 0 13 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.801 117.0 51.6 -75.5 -29.4 46.1 3.4 42.9 108 140 A A H >< S+ 0 0 13 -4,-2.2 3,-1.5 -5,-0.2 4,-0.4 0.832 92.7 76.6 -72.5 -32.6 49.7 2.5 42.0 109 141 A A G >< S+ 0 0 33 -4,-2.0 3,-2.0 1,-0.3 4,-0.3 0.845 87.9 53.5 -56.1 -47.5 51.3 5.0 44.2 110 142 A P G > S+ 0 0 48 0, 0.0 3,-0.7 0, 0.0 4,-0.4 0.733 104.4 58.3 -59.9 -23.4 50.8 3.3 47.6 111 143 A F G < S+ 0 0 2 -3,-1.5 -2,-0.2 -4,-0.3 5,-0.1 0.486 90.6 71.5 -84.7 -5.3 52.5 0.1 46.2 112 144 A K G < S+ 0 0 87 -3,-2.0 -1,-0.2 -4,-0.4 3,-0.2 0.513 84.6 68.5 -88.4 -7.3 55.7 2.1 45.4 113 145 A K S < S+ 0 0 113 -3,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.939 119.5 8.5 -66.4 -50.1 56.5 2.3 49.1 114 146 A T S S- 0 0 70 -4,-0.4 2,-0.4 2,-0.0 -1,-0.3 -0.999 74.4-151.3-140.5 132.5 57.2 -1.4 49.2 115 147 A R - 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