==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 24-MAR-13 4JU8 . COMPND 2 MOLECULE: BENZOYLFORMATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR M.J.MCLEISH,H.R.BRODKIN . 525 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20990.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 360 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 81 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.1 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 . 43 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 148 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 2 1 1 3 2 2 0 5 0 3 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 3 3 4 3 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 . 3 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 2 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 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 A 0 0 105 0, 0.0 165,-3.0 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 152.7 49.0 35.1 146.4 2 3 A S B > -A 165 0A 40 163,-0.3 4,-2.6 1,-0.1 163,-0.2 -0.472 360.0-111.3 -83.9 162.7 51.2 38.1 147.1 3 4 A V H > S+ 0 0 0 161,-2.6 4,-2.5 158,-0.4 5,-0.2 0.901 121.3 55.7 -56.6 -40.9 54.9 38.4 146.2 4 5 A H H > S+ 0 0 16 158,-2.5 4,-2.2 160,-0.3 5,-0.2 0.955 110.4 42.6 -53.9 -55.2 55.4 38.3 150.0 5 6 A G H > S+ 0 0 32 157,-0.3 4,-2.0 1,-0.2 -2,-0.2 0.911 115.6 48.5 -63.2 -43.3 53.5 35.0 150.4 6 7 A T H X S+ 0 0 11 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.877 110.7 51.1 -64.8 -38.5 55.1 33.4 147.4 7 8 A T H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.925 110.4 47.2 -69.5 -43.9 58.6 34.4 148.4 8 9 A Y H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 5,-0.2 0.889 111.9 51.9 -64.3 -35.8 58.3 32.9 151.9 9 10 A E H X S+ 0 0 55 -4,-2.0 4,-2.6 -5,-0.2 -2,-0.2 0.931 109.9 49.2 -64.1 -43.8 56.8 29.7 150.5 10 11 A L H X S+ 0 0 0 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.941 111.2 50.2 -57.7 -47.6 59.8 29.5 148.1 11 12 A L H <>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 3,-0.5 0.949 113.3 44.1 -58.0 -50.1 62.2 30.0 151.0 12 13 A R H ><5S+ 0 0 76 -4,-2.6 3,-1.6 1,-0.2 -1,-0.2 0.902 111.5 53.1 -65.0 -37.7 60.6 27.4 153.1 13 14 A R H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.749 108.6 51.9 -67.9 -22.9 60.4 24.9 150.2 14 15 A Q T 3<5S- 0 0 43 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.221 126.9-100.2 -97.0 12.0 64.1 25.4 149.6 15 16 A G T < 5S+ 0 0 44 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.538 77.1 135.9 89.2 7.9 64.9 24.7 153.3 16 17 A I < + 0 0 8 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.768 8.6 149.7 -93.1 130.9 65.4 28.2 154.6 17 18 A D + 0 0 65 -2,-0.4 22,-2.2 1,-0.2 2,-0.4 0.300 52.8 69.4-140.2 4.8 63.8 28.9 158.0 18 19 A T E -b 39 0B 5 20,-0.2 47,-0.6 2,-0.0 2,-0.5 -0.993 55.1-160.5-133.3 136.7 66.0 31.6 159.6 19 20 A V E -bc 40 65B 0 20,-2.8 22,-2.9 -2,-0.4 2,-0.5 -0.981 5.9-159.5-116.6 119.6 66.5 35.3 158.7 20 21 A F E +bc 41 66B 2 45,-2.6 47,-2.4 -2,-0.5 2,-0.3 -0.883 37.7 143.8 -93.4 125.3 69.6 37.0 160.0 21 22 A G E -bc 42 67B 0 20,-2.4 22,-1.7 -2,-0.5 47,-0.2 -0.976 56.3-146.9-157.5 163.9 69.0 40.7 160.0 22 23 A N - 0 0 33 45,-1.4 47,-0.2 -2,-0.3 22,-0.1 -0.945 47.9-131.6-132.2 118.0 69.2 44.3 161.1 23 24 A P + 0 0 60 0, 0.0 2,-0.3 0, 0.0 46,-0.1 -0.256 29.8 170.2 -81.0 159.2 65.9 45.9 160.1 24 25 A G >> - 0 0 15 44,-0.1 3,-1.4 1,-0.0 4,-0.8 -0.928 48.9 -91.2-152.5 174.8 65.2 49.2 158.3 25 26 A S G >4 S+ 0 0 63 -2,-0.3 3,-0.8 1,-0.3 -1,-0.0 0.865 120.9 56.4 -64.1 -36.7 62.2 50.9 156.7 26 27 A N G 34 S+ 0 0 0 1,-0.2 71,-0.3 70,-0.2 -1,-0.3 0.655 111.4 46.7 -67.6 -15.4 62.8 49.5 153.2 27 28 A E G X> S+ 0 0 1 -3,-1.4 4,-2.3 69,-0.2 3,-1.1 0.554 85.4 88.7-102.8 -11.4 62.6 46.0 154.8 28 29 A L H < S+ 0 0 24 -4,-2.3 3,-0.7 3,-0.1 -3,-0.2 0.653 89.2 102.5 -83.7 -17.7 59.3 41.5 157.6 32 33 A K T 3< S+ 0 0 69 -4,-2.0 0, 0.0 1,-0.3 0, 0.0 -0.279 87.2 20.5 -63.3 154.2 55.7 42.2 158.4 33 34 A D T 3 S- 0 0 129 1,-0.2 -1,-0.3 2,-0.0 3,-0.1 0.892 91.5-162.9 52.2 39.8 53.5 39.2 158.9 34 35 A F < - 0 0 54 -3,-0.7 -1,-0.2 1,-0.1 -3,-0.1 -0.316 26.6-101.7 -58.1 130.1 56.7 37.3 159.5 35 36 A P > - 0 0 18 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.255 19.0-134.4 -63.0 140.9 55.9 33.6 159.2 36 37 A E T 3 S+ 0 0 205 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.685 104.5 57.3 -68.1 -19.3 55.5 31.8 162.5 37 38 A D T 3 S+ 0 0 88 2,-0.0 -1,-0.3 -19,-0.0 2,-0.3 0.470 97.2 77.4 -88.9 -5.3 57.7 28.9 161.3 38 39 A F < - 0 0 13 -3,-1.6 2,-0.4 -20,-0.0 -20,-0.2 -0.699 69.9-144.9 -99.1 155.9 60.6 31.2 160.6 39 40 A R E -b 18 0B 102 -22,-2.2 -20,-2.8 -2,-0.3 2,-0.5 -0.950 4.4-148.4-117.5 146.0 63.0 32.7 163.1 40 41 A Y E -b 19 0B 50 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.955 5.8-161.8-111.4 127.2 64.6 36.1 163.0 41 42 A I E -b 20 0B 8 -22,-2.9 -20,-2.4 -2,-0.5 2,-0.3 -0.936 12.9-155.6-110.8 108.9 68.0 36.6 164.5 42 43 A L E -b 21 0B 41 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.663 12.9-178.4 -83.6 136.0 68.7 40.3 165.2 43 44 A A - 0 0 0 -22,-1.7 393,-0.1 -2,-0.3 6,-0.1 -0.948 30.1-127.5-127.4 157.6 72.2 41.7 165.4 44 45 A L S S+ 0 0 68 -2,-0.3 2,-0.3 391,-0.3 392,-0.1 0.554 89.1 26.2 -85.8 -11.4 73.1 45.3 166.2 45 46 A Q S >> S- 0 0 63 -24,-0.1 4,-1.9 388,-0.1 3,-0.6 -0.983 79.5-118.2-149.4 152.9 75.4 46.0 163.2 46 47 A E H 3> S+ 0 0 14 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.771 110.1 59.3 -71.7 -28.6 75.5 44.5 159.7 47 48 A A H 3> S+ 0 0 18 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.875 110.7 46.8 -61.5 -35.5 79.1 43.1 159.9 48 49 A C H <> S+ 0 0 0 -3,-0.6 4,-2.7 2,-0.2 5,-0.3 0.906 108.9 53.5 -71.3 -44.0 77.8 41.2 162.9 49 50 A V H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.945 114.5 41.2 -52.7 -51.8 74.6 40.1 161.0 50 51 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.904 113.2 53.5 -70.0 -38.7 76.6 38.7 158.1 51 52 A G H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.917 110.5 46.9 -59.9 -43.8 79.3 37.1 160.4 52 53 A I H X S+ 0 0 2 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.950 114.2 47.1 -61.9 -48.3 76.7 35.3 162.4 53 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.878 110.8 53.6 -61.1 -38.2 75.0 34.1 159.2 54 55 A D H X S+ 0 0 1 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.944 109.2 46.6 -63.0 -50.5 78.3 33.0 157.8 55 56 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.918 113.4 50.5 -57.3 -43.2 79.2 30.9 160.8 56 57 A Y H X S+ 0 0 17 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.928 112.6 45.5 -60.6 -46.0 75.8 29.4 160.7 57 58 A A H X>S+ 0 0 1 -4,-2.7 4,-1.5 2,-0.2 5,-1.1 0.906 113.5 48.8 -64.7 -44.5 76.1 28.6 156.9 58 59 A Q H <5S+ 0 0 8 -4,-2.8 -2,-0.2 2,-0.2 -1,-0.2 0.927 117.2 40.6 -64.7 -43.1 79.6 27.1 157.2 59 60 A A H <5S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.874 119.4 44.5 -73.7 -38.1 78.8 24.9 160.2 60 61 A S H <5S- 0 0 36 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.641 98.3-136.9 -79.1 -16.8 75.3 23.8 158.8 61 62 A R T <5S+ 0 0 77 -4,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.879 71.6 95.5 57.4 42.4 76.7 23.2 155.3 62 63 A K S > - d 0 96B 40 -2,-0.3 4,-2.7 -47,-0.2 5,-0.5 -0.752 58.1 -84.1 -93.7 102.9 68.9 47.9 155.1 70 71 A S H >5S- 0 0 3 -2,-0.8 4,-1.7 26,-0.6 5,-0.1 0.128 88.9 -28.2 46.1-145.7 69.6 49.4 151.6 71 72 A A H >5S+ 0 0 34 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.892 137.2 50.8 -73.6 -42.1 73.0 50.8 150.8 72 73 A A H >5S+ 0 0 66 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 114.1 44.8 -66.3 -41.3 74.2 51.8 154.3 73 74 A G H X5S+ 0 0 1 -4,-2.7 4,-0.8 2,-0.2 -3,-0.2 0.927 115.4 47.3 -67.4 -45.3 73.4 48.4 155.7 74 75 A T H ><< S+ 0 0 33 -4,-3.1 3,-1.7 1,-0.3 4,-0.3 0.895 103.6 56.5 -59.8 -42.3 78.0 48.7 153.0 76 77 A N H 3< S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.3 3,-0.3 0.741 109.2 49.8 -60.2 -21.7 78.5 48.0 156.7 77 78 A A T S+ 0 0 35 -3,-1.7 4,-1.5 -4,-0.3 -1,-0.2 0.818 80.1 53.3 -72.1 -27.2 81.1 44.4 152.9 79 80 A G H > S+ 0 0 49 -4,-0.3 4,-1.4 -3,-0.3 -1,-0.2 0.917 110.1 50.2 -65.7 -41.2 84.2 43.4 155.0 80 81 A A H > S+ 0 0 13 -4,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 106.8 54.9 -62.6 -37.8 82.2 40.4 156.2 81 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.841 99.7 60.9 -65.9 -30.8 81.4 39.6 152.5 82 83 A S H X S+ 0 0 32 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.936 107.5 44.3 -62.3 -42.5 85.1 39.6 151.7 83 84 A N H X S+ 0 0 5 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.941 111.6 53.7 -63.1 -45.9 85.6 36.8 154.1 84 85 A A H <>S+ 0 0 0 -4,-2.1 5,-2.4 1,-0.2 4,-0.3 0.839 105.1 54.5 -59.4 -36.6 82.5 34.9 152.8 85 86 A W H ><5S+ 0 0 74 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.945 110.4 45.5 -60.5 -48.2 83.8 35.1 149.3 86 87 A N H 3<5S+ 0 0 30 -4,-1.6 -2,-0.2 1,-0.3 -1,-0.2 0.757 114.2 48.2 -69.6 -25.8 87.1 33.5 150.2 87 88 A S T 3<5S- 0 0 6 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.380 106.6-124.2 -93.6 3.9 85.4 30.8 152.3 88 89 A H T < 5 + 0 0 16 -3,-1.1 63,-0.2 -4,-0.3 -3,-0.2 0.903 44.9 179.5 54.3 41.4 82.8 29.9 149.6 89 90 A S < - 0 0 0 -5,-2.4 2,-1.6 -6,-0.1 -1,-0.2 -0.633 30.7-130.2 -81.0 126.7 80.0 30.6 152.1 90 91 A P + 0 0 5 0, 0.0 -26,-2.1 0, 0.0 2,-0.5 -0.574 44.4 162.9 -78.5 89.8 76.5 30.2 150.6 91 92 A L E -d 64 0B 0 -2,-1.6 62,-2.3 -28,-0.2 2,-0.8 -0.935 31.5-156.3-115.1 128.8 74.9 33.5 151.7 92 93 A I E -de 65 153B 0 -28,-3.0 -26,-3.1 -2,-0.5 2,-0.7 -0.886 17.9-167.9-101.8 103.3 71.8 34.9 150.3 93 94 A V E -de 66 154B 0 60,-2.5 62,-2.6 -2,-0.8 2,-0.4 -0.845 6.1-177.6 -99.2 114.6 72.0 38.7 151.0 94 95 A T E -de 67 155B 6 -28,-2.6 -26,-3.0 -2,-0.7 2,-0.4 -0.888 1.9-172.7-108.6 143.9 68.8 40.6 150.5 95 96 A A E -de 68 156B 2 60,-2.3 62,-2.2 -2,-0.4 2,-0.2 -0.999 23.8-118.4-135.9 139.0 68.6 44.4 150.9 96 97 A G E -de 69 157B 4 -28,-1.7 -26,-0.6 -2,-0.4 2,-0.2 -0.557 27.3-161.6 -79.7 141.6 65.5 46.6 150.8 97 98 A Q E - e 0 158B 3 60,-2.4 62,-2.0 -71,-0.3 13,-0.1 -0.718 29.4 -87.8-114.5 160.9 65.3 49.3 148.2 98 99 A Q - 0 0 19 -2,-0.2 62,-0.2 11,-0.2 -1,-0.1 -0.210 60.9 -78.0 -60.3 162.3 63.1 52.4 148.1 99 100 A T >> - 0 0 18 59,-0.2 3,-2.4 60,-0.1 4,-0.7 -0.343 45.1-113.9 -61.7 144.0 59.6 52.2 146.6 100 101 A R H >> S+ 0 0 72 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.857 114.3 60.4 -53.1 -36.9 59.8 52.1 142.8 101 102 A A H 34 S+ 0 0 91 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.661 109.9 40.9 -65.7 -16.5 58.0 55.5 142.5 102 103 A M H <4>S+ 0 0 83 -3,-2.4 5,-1.8 2,-0.1 4,-0.3 0.406 89.5 87.0-115.1 3.9 60.7 57.2 144.5 103 104 A I H X<5S+ 0 0 43 -3,-1.0 3,-1.3 -4,-0.7 -2,-0.1 0.905 84.0 58.1 -68.1 -41.0 63.9 55.7 143.1 104 105 A G T 3<5S+ 0 0 74 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.873 106.7 45.6 -59.9 -41.8 64.2 58.2 140.2 105 106 A V T 3 5S- 0 0 118 -4,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.541 111.3-123.0 -78.7 -4.6 64.4 61.2 142.4 106 107 A E T < 5 - 0 0 124 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.968 37.0-164.4 55.0 56.2 66.9 59.4 144.6 107 108 A A > < - 0 0 19 -5,-1.8 3,-1.9 1,-0.2 -9,-0.1 -0.219 38.6 -70.8 -55.0 156.3 64.9 59.8 147.8 108 109 A L T 3 S+ 0 0 147 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.273 125.3 28.2 -48.4 138.3 66.7 59.1 151.0 109 110 A L T 3 S+ 0 0 54 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.473 82.5 143.0 81.5 5.6 67.4 55.4 151.4 110 111 A T < - 0 0 18 -3,-1.9 2,-1.0 -13,-0.1 -1,-0.3 -0.647 49.4-138.9 -72.2 130.3 67.6 54.8 147.7 111 112 A N > - 0 0 4 -2,-0.4 3,-1.0 -3,-0.1 2,-0.2 -0.803 24.1-146.3 -91.0 99.0 70.3 52.2 147.0 112 113 A V T 3 S- 0 0 78 -2,-1.0 5,-0.1 1,-0.3 4,-0.1 -0.486 75.0 -7.1 -75.0 132.0 71.8 53.8 143.9 113 114 A D T >> S- 0 0 110 -2,-0.2 3,-1.7 1,-0.1 4,-0.7 0.922 87.4-177.0 52.2 47.0 73.2 51.4 141.2 114 115 A A G X4 + 0 0 6 -3,-1.0 3,-1.2 1,-0.3 -2,-0.1 0.800 67.7 56.9 -52.6 -45.6 72.4 48.7 143.8 115 116 A A G 34 S+ 0 0 21 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.777 105.1 53.8 -63.4 -25.0 73.7 45.7 142.1 116 117 A N G X4 S+ 0 0 73 -3,-1.7 3,-0.5 1,-0.2 -1,-0.3 0.714 89.3 81.1 -78.9 -20.3 77.2 47.2 141.7 117 118 A L T << S+ 0 0 61 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.931 96.8 36.1 -55.2 -54.3 77.5 48.0 145.4 118 119 A P T > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.601 95.8 145.9 -80.6 -7.5 78.7 44.5 146.7 119 120 A R T < + 0 0 119 -3,-0.5 4,-0.1 -4,-0.3 -3,-0.0 -0.453 55.3 25.8 -67.6 144.3 80.8 43.7 143.6 120 121 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.874 115.7 65.1 -97.5 25.9 83.3 42.2 143.3 121 122 A L S < S+ 0 0 37 -3,-2.3 2,-0.3 30,-0.0 -2,-0.2 0.282 91.9 68.9 -97.2 12.4 82.5 40.1 146.4 122 123 A V - 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0 0 13 -165,-3.0 -34,-0.1 -2,-0.2 -33,-0.1 -0.498 25.3-100.0 -81.8 158.0 52.6 37.2 142.4 167 168 A D > - 0 0 76 -35,-0.5 3,-2.2 -2,-0.2 4,-0.2 -0.678 25.6-139.5 -73.3 124.2 52.6 35.3 139.1 168 169 A P G > S+ 0 0 106 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.830 100.5 67.9 -56.4 -29.2 50.7 32.1 139.6 169 170 A Q G > S+ 0 0 108 1,-0.3 3,-1.4 2,-0.1 4,-0.1 0.565 75.2 87.0 -69.8 -5.9 53.4 30.3 137.5 170 171 A S G X> + 0 0 9 -3,-2.2 3,-2.2 1,-0.2 4,-0.5 0.675 65.6 83.3 -63.9 -16.1 55.9 31.0 140.3 171 172 A H G X4 S+ 0 0 95 -3,-1.6 3,-1.0 1,-0.3 4,-0.5 0.793 77.0 69.3 -60.7 -24.6 54.8 27.7 141.9 172 173 A H G <4 S+ 0 0 114 -3,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.685 92.8 60.0 -66.4 -17.0 57.2 25.9 139.5 173 174 A L G X4 S+ 0 0 18 -3,-2.2 3,-1.3 1,-0.2 -1,-0.2 0.792 85.0 80.0 -74.3 -29.6 60.1 27.5 141.5 174 175 A F T << S+ 0 0 25 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.833 101.7 26.3 -56.6 -45.6 59.2 25.9 144.8 175 176 A D T 3 S+ 0 0 106 -4,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.233 79.8 143.4-108.5 14.8 60.6 22.4 144.4 176 177 A R < - 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