==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 20-APR-13 4K9L . COMPND 2 MOLECULE: BENZOYLFORMATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.R.BRODKIN,M.J.MCLEISH . 522 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20941.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 83 15.9 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 . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 146 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.7 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 3 3 1 2 0 6 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 5 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 0 102 0, 0.0 165,-3.0 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 151.7 72.4 -12.6 -9.0 2 3 A S B > -A 165 0A 39 163,-0.2 4,-2.8 1,-0.1 5,-0.3 -0.491 360.0-111.9 -86.5 161.9 70.3 -9.6 -9.8 3 4 A V H > S+ 0 0 0 161,-2.6 4,-2.4 158,-0.4 5,-0.2 0.904 121.6 54.0 -57.7 -40.5 66.6 -9.3 -9.0 4 5 A H H > S+ 0 0 18 158,-2.6 4,-2.2 160,-0.3 5,-0.2 0.957 111.4 44.2 -54.2 -53.3 66.0 -9.4 -12.8 5 6 A G H > S+ 0 0 32 157,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.916 115.3 46.4 -62.8 -45.8 68.0 -12.7 -13.1 6 7 A T H X S+ 0 0 10 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.862 111.5 52.7 -65.7 -36.0 66.5 -14.3 -10.1 7 8 A T H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.939 109.0 47.2 -69.5 -46.3 62.9 -13.3 -11.1 8 9 A Y H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.858 112.2 52.2 -62.8 -32.5 63.2 -14.8 -14.6 9 10 A E H X S+ 0 0 51 -4,-1.7 4,-2.6 -5,-0.2 5,-0.2 0.928 108.7 49.8 -69.6 -41.7 64.6 -17.9 -13.1 10 11 A L H X S+ 0 0 0 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.935 111.2 50.6 -58.2 -45.0 61.7 -18.2 -10.7 11 12 A L H <>S+ 0 0 0 -4,-2.6 5,-2.8 1,-0.2 3,-0.4 0.952 113.4 42.3 -58.6 -50.9 59.3 -17.7 -13.6 12 13 A R H ><5S+ 0 0 74 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.890 112.1 54.1 -68.4 -35.1 60.8 -20.4 -15.8 13 14 A R H 3<5S+ 0 0 104 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.782 108.4 51.9 -68.3 -23.5 61.2 -22.8 -12.9 14 15 A Q T 3<5S- 0 0 46 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.261 127.7 -99.0 -96.3 10.4 57.5 -22.3 -12.3 15 16 A G T < 5S+ 0 0 61 -3,-1.7 2,-0.5 1,-0.3 -3,-0.2 0.555 79.9 131.7 91.3 9.8 56.6 -23.1 -15.8 16 17 A I < + 0 0 10 -5,-2.8 -1,-0.3 -6,-0.2 -2,-0.2 -0.841 9.8 147.8-102.1 127.6 56.2 -19.5 -17.2 17 18 A D + 0 0 78 -2,-0.5 22,-2.4 1,-0.1 2,-0.4 0.321 53.1 73.4-135.1 5.0 57.9 -18.7 -20.5 18 19 A T E -b 39 0B 5 20,-0.2 47,-0.6 22,-0.0 2,-0.5 -0.977 54.7-161.1-131.4 136.0 55.7 -16.1 -22.1 19 20 A V E -bc 40 65B 0 20,-2.7 22,-3.1 -2,-0.4 2,-0.5 -0.977 5.1-159.8-117.3 120.4 55.0 -12.4 -21.3 20 21 A F E +bc 41 66B 1 45,-2.7 47,-2.5 -2,-0.5 2,-0.3 -0.887 38.5 139.5 -95.4 126.8 51.9 -10.7 -22.6 21 22 A G E -bc 42 67B 0 20,-2.3 22,-1.7 -2,-0.5 47,-0.2 -0.984 57.1-142.4-160.6 165.4 52.5 -7.0 -22.5 22 23 A N - 0 0 34 45,-1.5 47,-0.2 -2,-0.3 22,-0.1 -0.949 47.8-131.1-133.4 119.5 52.4 -3.4 -23.7 23 24 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 46,-0.2 -0.176 29.8 168.9 -81.4 162.8 55.7 -1.7 -22.6 24 25 A G >> - 0 0 16 44,-0.1 3,-1.1 1,-0.1 4,-0.6 -0.941 49.8 -92.1-158.1 170.8 56.5 1.5 -20.9 25 26 A S G >4 S+ 0 0 55 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.880 120.5 58.2 -61.6 -39.0 59.6 3.2 -19.3 26 27 A N G 34 S+ 0 0 3 1,-0.3 71,-0.3 70,-0.2 -1,-0.3 0.728 110.1 47.1 -61.0 -22.3 58.9 1.8 -15.8 27 28 A E G X> S+ 0 0 2 -3,-1.1 4,-2.7 69,-0.2 3,-1.1 0.498 84.6 90.9 -98.0 -9.0 59.1 -1.7 -17.3 28 29 A L H < S+ 0 0 25 -4,-2.7 3,-0.6 3,-0.1 -3,-0.2 0.742 93.4 97.3 -75.2 -27.5 62.1 -6.2 -20.2 32 33 A K T 3< S+ 0 0 86 -4,-2.7 0, 0.0 1,-0.2 0, 0.0 -0.120 86.3 23.7 -60.6 164.2 65.8 -5.5 -21.0 33 34 A D T 3 S- 0 0 127 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.879 91.6-162.0 45.4 39.4 68.1 -8.4 -21.5 34 35 A F < - 0 0 60 -3,-0.6 -1,-0.2 1,-0.1 -3,-0.1 -0.321 24.5-103.5 -56.3 126.7 65.0 -10.4 -22.2 35 36 A P > - 0 0 19 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.212 18.6-132.0 -57.1 140.5 65.8 -14.1 -21.8 36 37 A E T 3 S+ 0 0 200 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.784 107.2 55.0 -63.8 -29.2 66.2 -16.0 -25.1 37 38 A D T 3 S+ 0 0 86 2,-0.0 2,-0.3 -19,-0.0 -1,-0.3 0.492 97.0 84.7 -85.1 -2.9 64.0 -18.8 -23.8 38 39 A F < - 0 0 14 -3,-1.4 2,-0.3 -20,-0.0 -20,-0.2 -0.688 65.9-148.8 -97.4 151.5 61.2 -16.3 -23.1 39 40 A R E -b 18 0B 93 -22,-2.4 -20,-2.7 -2,-0.3 2,-0.5 -0.878 3.2-151.1-126.5 136.5 58.6 -15.0 -25.6 40 41 A Y E -b 19 0B 50 -2,-0.3 2,-0.7 -22,-0.2 -20,-0.2 -0.996 4.2-163.1-110.3 121.4 57.0 -11.6 -25.6 41 42 A I E -b 20 0B 7 -22,-3.1 -20,-2.3 -2,-0.5 2,-0.3 -0.911 13.9-156.1-108.0 106.4 53.5 -11.1 -27.1 42 43 A L E -b 21 0B 41 -2,-0.7 2,-0.3 -22,-0.2 -20,-0.2 -0.634 13.1-179.2 -83.8 135.9 52.8 -7.5 -27.8 43 44 A A - 0 0 1 -22,-1.7 391,-0.1 -2,-0.3 6,-0.1 -0.944 30.2-129.5-128.3 155.7 49.3 -6.0 -28.0 44 45 A L S S+ 0 0 67 389,-0.3 2,-0.3 -2,-0.3 390,-0.1 0.613 89.0 32.5 -84.2 -15.9 48.4 -2.4 -28.7 45 46 A Q S > S- 0 0 62 386,-0.1 4,-2.1 1,-0.1 3,-0.4 -0.979 77.6-122.6-142.4 152.0 46.1 -1.8 -25.8 46 47 A E H > S+ 0 0 15 -2,-0.3 4,-2.4 1,-0.3 5,-0.2 0.791 111.0 57.1 -68.5 -31.0 46.0 -3.2 -22.2 47 48 A A H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.868 111.6 45.7 -64.1 -35.2 42.5 -4.6 -22.5 48 49 A C H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -2,-0.2 0.882 109.3 54.6 -73.6 -40.7 43.8 -6.6 -25.5 49 50 A V H X S+ 0 0 2 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.946 114.8 39.2 -56.8 -51.4 47.0 -7.6 -23.6 50 51 A V H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.857 113.6 55.1 -70.6 -36.5 45.0 -9.1 -20.7 51 52 A G H X S+ 0 0 3 -4,-1.8 4,-2.3 -5,-0.2 5,-0.2 0.917 109.8 46.6 -62.8 -44.0 42.3 -10.6 -23.0 52 53 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.950 114.2 47.3 -61.8 -49.9 44.9 -12.5 -25.0 53 54 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.871 110.3 54.4 -57.3 -38.7 46.6 -13.7 -21.8 54 55 A D H X S+ 0 0 1 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.940 109.5 45.1 -62.5 -51.0 43.2 -14.7 -20.4 55 56 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.920 114.1 51.7 -57.6 -44.1 42.4 -16.9 -23.4 56 57 A Y H X S+ 0 0 38 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.930 112.5 44.5 -57.9 -47.5 45.9 -18.3 -23.3 57 58 A A H X>S+ 0 0 1 -4,-2.8 4,-1.5 2,-0.2 5,-1.2 0.896 113.9 48.8 -66.0 -42.2 45.5 -19.2 -19.6 58 59 A Q H <5S+ 0 0 7 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.914 116.8 41.1 -68.5 -42.4 42.1 -20.6 -19.9 59 60 A A H <5S+ 0 0 3 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.882 119.8 43.8 -71.9 -39.9 42.9 -22.9 -22.8 60 61 A S H <5S- 0 0 33 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.669 98.5-138.0 -78.2 -17.5 46.3 -23.9 -21.5 61 62 A R T <5S+ 0 0 71 -4,-1.5 -3,-0.2 1,-0.2 -4,-0.1 0.874 70.7 97.5 54.4 41.7 44.9 -24.4 -18.0 62 63 A K S - d 0 96B 34 -2,-0.2 4,-2.5 26,-0.2 5,-0.5 -0.812 57.6 -77.7-101.2 107.0 52.7 0.1 -17.6 70 71 A S H > S- 0 0 5 26,-0.8 4,-2.0 -2,-0.8 5,-0.2 0.074 88.8 -31.3 48.9-150.4 51.9 1.9 -14.3 71 72 A A H > S+ 0 0 35 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.894 137.2 50.0 -71.9 -43.1 48.5 3.2 -13.5 72 73 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 115.5 43.5 -66.2 -39.3 47.2 4.1 -16.9 73 74 A G H X S+ 0 0 1 -4,-2.5 4,-0.7 2,-0.2 -3,-0.2 0.911 116.7 46.9 -73.1 -42.1 48.2 0.7 -18.4 74 75 A T H >< S+ 0 0 0 -4,-2.0 3,-1.2 -5,-0.5 4,-0.3 0.951 112.9 50.1 -61.6 -48.3 46.8 -1.2 -15.4 75 76 A G H >< S+ 0 0 32 -4,-3.4 3,-1.8 1,-0.3 4,-0.3 0.879 102.5 59.7 -58.1 -39.6 43.6 0.9 -15.5 76 77 A N H 3< S+ 0 0 81 -4,-2.0 3,-0.3 1,-0.3 -1,-0.3 0.745 108.7 47.7 -60.5 -21.9 43.1 0.2 -19.2 77 78 A A T S+ 0 0 41 -3,-1.8 4,-1.0 -4,-0.3 -1,-0.2 0.780 81.2 54.7 -74.4 -23.6 40.6 -3.4 -15.4 79 80 A G H > S+ 0 0 48 -4,-0.3 4,-1.3 -3,-0.3 3,-0.3 0.880 109.0 50.5 -64.2 -40.0 37.5 -4.3 -17.5 80 81 A A H > S+ 0 0 13 1,-0.2 4,-2.1 -4,-0.2 -2,-0.2 0.876 106.3 55.2 -61.9 -37.1 39.4 -7.3 -18.7 81 82 A L H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.784 98.4 62.7 -68.9 -26.0 40.2 -8.2 -15.1 82 83 A S H X S+ 0 0 32 -4,-1.0 4,-1.5 -3,-0.3 -1,-0.2 0.935 106.7 43.7 -63.8 -43.0 36.5 -8.1 -14.3 83 84 A N H X S+ 0 0 5 -4,-1.3 4,-1.4 1,-0.2 3,-0.3 0.941 113.0 52.5 -61.4 -46.3 36.0 -11.0 -16.7 84 85 A A H <>S+ 0 0 0 -4,-2.1 5,-2.3 1,-0.2 4,-0.4 0.841 104.9 55.7 -62.0 -34.5 39.1 -12.8 -15.3 85 86 A W H ><5S+ 0 0 76 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.908 111.5 43.1 -62.3 -43.1 37.8 -12.5 -11.8 86 87 A N H 3<5S+ 0 0 44 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.643 114.9 48.9 -82.3 -15.3 34.5 -14.3 -12.7 87 88 A S T 3<5S- 0 0 6 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.341 105.5-125.0-100.5 5.6 36.2 -16.9 -14.8 88 89 A H T < 5 + 0 0 14 -3,-0.7 -3,-0.2 -4,-0.4 63,-0.2 0.893 44.4 178.3 51.9 42.2 38.8 -17.8 -12.1 89 90 A S < - 0 0 0 -5,-2.3 2,-1.7 -6,-0.1 -1,-0.2 -0.654 31.6-130.0 -81.1 126.8 41.5 -17.1 -14.7 90 91 A P + 0 0 4 0, 0.0 -26,-1.9 0, 0.0 2,-0.5 -0.546 44.0 163.7 -78.0 86.9 45.0 -17.5 -13.2 91 92 A L E -d 64 0B 0 -2,-1.7 62,-2.4 -28,-0.2 2,-0.9 -0.916 31.2-155.4-111.7 126.5 46.6 -14.2 -14.4 92 93 A I E -de 65 153B 0 -28,-3.0 -26,-2.9 -2,-0.5 2,-0.7 -0.838 18.6-167.3 -96.8 98.0 49.8 -12.8 -12.9 93 94 A V E -de 66 154B 1 60,-2.5 62,-2.7 -2,-0.9 2,-0.4 -0.793 7.4-179.1 -93.8 114.9 49.5 -9.1 -13.6 94 95 A T E -de 67 155B 5 -28,-2.3 -26,-2.9 -2,-0.7 2,-0.4 -0.876 2.5-174.7-108.2 145.2 52.7 -7.1 -13.1 95 96 A A E -de 68 156B 2 60,-2.3 62,-2.3 -2,-0.4 2,-0.3 -0.998 25.2-117.1-136.6 143.7 53.0 -3.4 -13.6 96 97 A G E -de 69 157B 3 -28,-1.6 -26,-0.8 -2,-0.4 2,-0.2 -0.631 27.5-161.4 -83.2 138.9 56.0 -1.1 -13.5 97 98 A Q E - e 0 158B 1 60,-2.3 62,-1.8 -71,-0.3 13,-0.1 -0.675 30.1 -87.4-108.8 161.9 56.2 1.6 -10.8 98 99 A Q - 0 0 27 -2,-0.2 -1,-0.2 60,-0.2 5,-0.1 -0.197 61.8 -75.9 -59.0 162.1 58.4 4.7 -10.7 99 100 A T >> - 0 0 28 59,-0.2 3,-2.3 60,-0.1 4,-0.8 -0.324 48.3-112.1 -57.3 145.3 61.9 4.5 -9.1 100 101 A R H >> S+ 0 0 73 1,-0.3 3,-0.9 2,-0.2 4,-0.6 0.860 117.0 56.8 -51.8 -39.1 61.6 4.3 -5.4 101 102 A A H 34 S+ 0 0 95 1,-0.2 4,-0.3 2,-0.1 -1,-0.3 0.635 109.2 46.9 -68.5 -13.9 63.2 7.8 -5.0 102 103 A M H <>>S+ 0 0 82 -3,-2.3 5,-2.0 2,-0.1 4,-0.6 0.497 89.6 81.3-107.6 -7.2 60.5 9.3 -7.3 103 104 A I H X<5S+ 0 0 47 -3,-0.9 3,-0.7 -4,-0.8 -2,-0.1 0.930 88.1 54.0 -65.3 -47.6 57.4 7.9 -5.8 104 105 A G T 3<5S+ 0 0 72 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.925 110.3 43.7 -55.1 -53.3 57.0 10.3 -2.9 105 106 A V T 345S- 0 0 111 -4,-0.3 -1,-0.3 1,-0.1 -2,-0.2 0.642 112.2-124.0 -68.1 -14.3 57.1 13.5 -5.0 106 107 A E T <<5 - 0 0 123 -3,-0.7 -3,-0.2 -4,-0.6 3,-0.1 0.957 35.4-166.1 69.5 53.2 54.8 11.8 -7.4 107 108 A A > < - 0 0 19 -5,-2.0 3,-1.6 1,-0.2 -9,-0.1 -0.168 39.9 -69.0 -61.9 163.4 56.8 12.1 -10.6 108 109 A L T 3 S+ 0 0 147 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.295 124.6 27.7 -55.0 136.3 55.2 11.5 -13.9 109 110 A L T 3 S+ 0 0 58 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.504 83.4 146.6 88.0 6.1 54.3 7.8 -14.3 110 111 A T < - 0 0 16 -3,-1.6 2,-1.1 -13,-0.1 -1,-0.3 -0.605 46.5-139.9 -75.4 130.5 53.9 7.1 -10.6 111 112 A N > - 0 0 3 -2,-0.3 3,-1.1 -3,-0.1 2,-0.2 -0.785 23.6-148.8 -92.1 96.7 51.3 4.5 -9.7 112 113 A V T 3 S- 0 0 80 -2,-1.1 5,-0.1 1,-0.3 4,-0.0 -0.489 75.7 -7.0 -72.1 131.0 49.7 6.1 -6.7 113 114 A D T >> S- 0 0 109 -2,-0.2 3,-1.2 1,-0.1 4,-0.7 0.933 86.8-177.8 50.5 47.8 48.3 3.7 -4.1 114 115 A A G X4 + 0 0 3 -3,-1.1 3,-1.7 1,-0.3 -2,-0.1 0.854 68.0 55.4 -47.0 -52.6 49.1 1.0 -6.7 115 116 A A G 34 S+ 0 0 18 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.786 105.9 53.1 -60.7 -28.4 47.9 -2.0 -4.9 116 117 A N G <4 S+ 0 0 75 -3,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.684 91.3 78.1 -76.9 -19.8 44.4 -0.5 -4.4 117 118 A L S << S+ 0 0 54 -3,-1.7 -2,-0.2 -4,-0.7 -1,-0.2 0.957 97.8 38.6 -57.2 -54.7 44.0 0.3 -8.1 118 119 A P S > S+ 0 0 0 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 0.667 97.0 138.2 -73.6 -18.4 43.1 -3.3 -9.3 119 120 A R T 3 + 0 0 114 -4,-0.5 4,-0.1 1,-0.3 -3,-0.0 -0.449 55.1 28.6 -70.4 146.2 40.9 -4.1 -6.2 120 121 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.889 115.7 63.6 -92.6 27.6 38.4 -5.5 -5.9 121 122 A L S < S+ 0 0 39 -3,-2.2 2,-0.3 30,-0.0 -2,-0.2 0.230 92.4 72.2 -98.7 16.5 39.1 -7.5 -9.0 122 123 A V - 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0 0 11 -165,-3.0 -34,-0.1 -2,-0.2 -33,-0.1 -0.624 24.6-101.9 -88.6 152.6 68.9 -10.5 -5.1 167 168 A D > - 0 0 80 -35,-0.4 3,-2.1 -2,-0.2 4,-0.2 -0.615 22.9-139.3 -70.9 128.3 69.0 -12.5 -1.8 168 169 A P G > S+ 0 0 102 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.768 101.9 68.6 -60.0 -24.2 70.8 -15.8 -2.4 169 170 A Q G > S+ 0 0 110 1,-0.3 3,-1.3 2,-0.1 4,-0.1 0.559 76.8 84.2 -72.2 -6.6 68.2 -17.4 -0.2 170 171 A S G X> + 0 0 10 -3,-2.1 3,-2.2 1,-0.2 4,-0.5 0.680 67.9 81.4 -67.4 -17.6 65.7 -16.7 -3.0 171 172 A H G X4 S+ 0 0 93 -3,-1.4 3,-1.0 1,-0.3 4,-0.5 0.802 77.4 70.3 -60.4 -24.9 66.8 -19.9 -4.6 172 173 A H G <4 S+ 0 0 113 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.701 92.4 59.7 -64.7 -17.2 64.4 -21.7 -2.2 173 174 A L G X4 S+ 0 0 18 -3,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.796 84.7 80.7 -76.7 -30.7 61.5 -20.2 -4.1 174 175 A F T << S+ 0 0 22 -3,-1.0 -1,-0.2 -4,-0.5 -2,-0.1 0.830 101.7 26.5 -51.7 -49.4 62.4 -21.8 -7.5 175 176 A D T 3 S+ 0 0 107 -4,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.197 80.3 142.3-106.7 15.8 61.0 -25.3 -7.1 176 177 A R < - 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