==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 15-AUG-12 4GM0 . COMPND 2 MOLECULE: BENZOYLFORMATE DECARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR W.R.P.NOVAK,F.H.ANDREWS,A.R.TOM,P.R.GUNDERMAN,M.J.MCLEISH . 525 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 355 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 82 15.6 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 . 40 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 11.2 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 3 1 1 4 1 1 1 5 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 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,-2.9 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 149.8 -72.9 -12.5 8.9 2 3 A S B > -A 165 0A 40 163,-0.3 4,-2.6 1,-0.1 163,-0.2 -0.539 360.0-111.7 -81.3 163.0 -70.7 -9.5 9.7 3 4 A V H > S+ 0 0 0 161,-2.6 4,-2.6 158,-0.4 5,-0.2 0.906 120.4 55.7 -57.2 -41.8 -67.0 -9.3 9.0 4 5 A H H > S+ 0 0 17 158,-2.6 4,-2.3 160,-0.2 5,-0.2 0.953 110.9 41.9 -53.8 -56.2 -66.5 -9.4 12.8 5 6 A G H > S+ 0 0 33 157,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.894 115.9 49.0 -63.1 -41.5 -68.4 -12.6 13.2 6 7 A T H X S+ 0 0 11 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.882 110.7 50.5 -65.6 -38.1 -66.9 -14.2 10.1 7 8 A T H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.925 110.0 47.8 -70.8 -44.2 -63.4 -13.3 11.1 8 9 A Y H X S+ 0 0 2 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.881 111.7 52.8 -63.3 -34.8 -63.6 -14.7 14.7 9 10 A E H X S+ 0 0 52 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.941 109.4 48.3 -63.9 -45.3 -65.1 -17.9 13.1 10 11 A L H X S+ 0 0 0 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.930 111.6 50.7 -56.1 -47.6 -62.2 -18.2 10.8 11 12 A L H ><>S+ 0 0 0 -4,-2.7 5,-2.7 1,-0.2 3,-0.5 0.954 113.1 43.2 -57.7 -51.7 -59.8 -17.7 13.6 12 13 A R H ><5S+ 0 0 77 -4,-2.7 3,-1.6 1,-0.2 -1,-0.2 0.892 112.0 54.3 -65.3 -35.4 -61.4 -20.3 15.8 13 14 A R H 3<5S+ 0 0 102 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.774 108.6 50.8 -68.1 -21.3 -61.7 -22.8 12.9 14 15 A Q T <<5S- 0 0 44 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.229 126.8-100.8 -98.8 13.2 -57.9 -22.3 12.3 15 16 A G T < 5S+ 0 0 43 -3,-1.6 2,-0.4 1,-0.3 -3,-0.2 0.514 76.6 136.7 86.5 8.5 -57.1 -23.0 16.0 16 17 A I < + 0 0 9 -5,-2.7 -1,-0.3 -6,-0.2 -2,-0.1 -0.733 8.8 150.0 -95.1 130.8 -56.6 -19.5 17.3 17 18 A D + 0 0 64 -2,-0.4 22,-1.8 1,-0.2 2,-0.4 0.305 52.1 69.7-139.5 4.8 -58.2 -18.7 20.6 18 19 A T E -b 39 0B 5 20,-0.2 47,-0.6 2,-0.0 2,-0.5 -0.998 54.7-160.0-135.5 136.0 -56.0 -16.0 22.2 19 20 A V E -bc 40 65B 0 20,-2.8 22,-2.9 -2,-0.4 2,-0.6 -0.971 6.7-159.9-114.9 117.0 -55.5 -12.4 21.3 20 21 A F E +bc 41 66B 2 45,-2.7 47,-2.4 -2,-0.5 2,-0.3 -0.883 38.1 147.7 -90.0 124.6 -52.3 -10.8 22.7 21 22 A G E -bc 42 67B 0 20,-2.5 22,-1.7 -2,-0.6 47,-0.2 -0.968 56.4-151.7-156.1 163.4 -52.9 -7.0 22.6 22 23 A N - 0 0 33 45,-1.6 47,-0.2 -2,-0.3 22,-0.1 -0.941 47.2-134.9-133.2 116.8 -52.7 -3.4 23.7 23 24 A P + 0 0 57 0, 0.0 2,-0.3 0, 0.0 46,-0.1 -0.339 27.7 171.7 -81.7 159.0 -55.9 -1.8 22.6 24 25 A G >> - 0 0 15 44,-0.1 3,-1.1 -2,-0.1 4,-0.9 -0.866 48.6 -86.1-147.8-176.0 -56.6 1.5 20.9 25 26 A S G >4 S+ 0 0 75 1,-0.3 3,-0.6 -2,-0.3 44,-0.0 0.863 122.5 52.8 -65.4 -38.1 -59.5 3.4 19.3 26 27 A N G 34 S+ 0 0 1 1,-0.2 71,-0.3 70,-0.2 -1,-0.3 0.610 110.5 51.2 -71.4 -13.9 -59.2 1.8 15.8 27 28 A E G X> S+ 0 0 1 -3,-1.1 4,-2.4 69,-0.2 3,-1.2 0.581 83.5 86.7-100.0 -16.0 -59.3 -1.6 17.4 28 29 A L H < S+ 0 0 24 -4,-2.4 3,-0.6 3,-0.1 -3,-0.2 0.658 90.6 101.8 -77.4 -21.5 -62.5 -6.2 20.2 32 33 A K T 3< S+ 0 0 67 -4,-2.0 0, 0.0 1,-0.2 0, 0.0 -0.186 84.7 22.1 -63.2 157.7 -66.1 -5.4 21.0 33 34 A D T 3 S- 0 0 129 1,-0.2 -1,-0.2 2,-0.0 3,-0.1 0.895 91.8-161.2 52.6 42.5 -68.5 -8.3 21.6 34 35 A F < - 0 0 59 -3,-0.6 -1,-0.2 1,-0.1 -3,-0.1 -0.248 22.5-105.2 -62.3 133.2 -65.4 -10.3 22.3 35 36 A P > - 0 0 20 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.266 16.7-130.6 -69.9 146.5 -66.2 -14.0 21.9 36 37 A E T 3 S+ 0 0 201 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.717 105.1 57.1 -64.7 -26.5 -66.6 -16.0 25.1 37 38 A D T 3 S+ 0 0 85 2,-0.0 -1,-0.3 -19,-0.0 2,-0.2 0.518 97.9 75.2 -84.7 -3.0 -64.3 -18.8 23.8 38 39 A F < - 0 0 15 -3,-1.7 2,-0.4 -20,-0.0 -20,-0.2 -0.667 67.4-147.7 -99.2 161.9 -61.4 -16.4 23.2 39 40 A R E -b 18 0B 101 -22,-1.8 -20,-2.8 -2,-0.2 2,-0.5 -0.985 4.6-145.5-131.6 147.6 -59.1 -14.9 25.8 40 41 A Y E -b 19 0B 50 -2,-0.4 2,-0.6 -22,-0.2 -20,-0.2 -0.918 6.3-160.9-111.5 125.2 -57.4 -11.5 25.7 41 42 A I E -b 20 0B 9 -22,-2.9 -20,-2.5 -2,-0.5 2,-0.4 -0.944 14.4-155.8-109.7 107.2 -54.0 -11.1 27.2 42 43 A L E -b 21 0B 42 -2,-0.6 2,-0.3 -22,-0.2 -20,-0.2 -0.677 12.9-178.1 -81.3 136.9 -53.2 -7.4 27.9 43 44 A A - 0 0 0 -22,-1.7 393,-0.1 -2,-0.4 6,-0.1 -0.941 29.8-128.0-128.3 157.7 -49.7 -6.0 28.1 44 45 A L S S+ 0 0 67 -2,-0.3 2,-0.3 391,-0.3 -22,-0.1 0.558 89.3 26.0 -86.6 -10.9 -48.8 -2.4 28.8 45 46 A Q S >> S- 0 0 62 -24,-0.1 4,-2.0 388,-0.1 3,-0.7 -0.979 79.9-118.4-151.0 151.0 -46.5 -1.7 25.9 46 47 A E H 3> S+ 0 0 16 -2,-0.3 4,-2.5 1,-0.3 5,-0.2 0.779 110.3 59.7 -73.4 -24.8 -46.4 -3.3 22.4 47 48 A A H 3> S+ 0 0 18 29,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.855 110.6 46.9 -62.4 -36.4 -42.8 -4.7 22.6 48 49 A C H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 5,-0.2 0.907 109.3 52.7 -69.3 -46.4 -44.2 -6.6 25.6 49 50 A V H X S+ 0 0 2 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.943 115.4 40.2 -52.1 -53.0 -47.3 -7.7 23.7 50 51 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 113.1 53.9 -71.5 -38.7 -45.3 -9.1 20.8 51 52 A G H X S+ 0 0 2 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.905 110.9 46.9 -58.6 -44.6 -42.6 -10.6 23.0 52 53 A I H X S+ 0 0 2 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.952 114.1 47.1 -60.0 -50.3 -45.3 -12.5 25.1 53 54 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 -2,-0.2 0.872 110.9 53.4 -58.7 -38.7 -47.0 -13.7 21.9 54 55 A D H X S+ 0 0 1 -4,-2.5 4,-2.9 2,-0.2 5,-0.3 0.952 109.2 46.6 -64.4 -51.0 -43.6 -14.7 20.4 55 56 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.923 113.7 50.6 -56.7 -43.0 -42.7 -16.9 23.4 56 57 A Y H X S+ 0 0 19 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.929 112.8 44.8 -59.9 -47.7 -46.2 -18.4 23.3 57 58 A A H X>S+ 0 0 1 -4,-2.7 4,-1.3 2,-0.2 5,-1.1 0.900 114.2 48.9 -63.7 -45.4 -45.9 -19.2 19.5 58 59 A Q H <5S+ 0 0 6 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.930 117.4 40.3 -64.9 -42.6 -42.4 -20.6 19.8 59 60 A A H <5S+ 0 0 4 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.868 120.0 43.8 -75.1 -36.2 -43.2 -22.9 22.8 60 61 A S H <5S- 0 0 36 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.575 98.6-136.4 -84.0 -9.5 -46.6 -23.9 21.5 61 62 A R T <5S+ 0 0 77 -4,-1.3 -3,-0.2 1,-0.2 -4,-0.1 0.855 71.4 95.5 52.8 45.4 -45.3 -24.5 17.9 62 63 A K S > - d 0 96B 28 -2,-0.3 4,-2.6 -47,-0.2 5,-0.6 -0.778 57.7 -80.5 -98.2 109.9 -53.0 0.1 17.7 70 71 A S H >5S- 0 0 3 -2,-0.8 4,-1.6 26,-0.7 5,-0.2 0.144 89.3 -30.6 46.2-144.7 -52.3 1.8 14.3 71 72 A A H >5S+ 0 0 34 2,-0.2 4,-3.1 3,-0.2 -1,-0.2 0.886 136.9 50.9 -77.5 -41.9 -48.8 3.1 13.4 72 73 A A H >5S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.919 114.8 43.4 -67.3 -40.1 -47.6 4.0 16.9 73 74 A G H X5S+ 0 0 1 -4,-2.6 4,-0.8 2,-0.2 -3,-0.2 0.924 116.2 47.2 -69.5 -44.5 -48.5 0.7 18.4 74 75 A T H ><< S+ 0 0 32 -4,-3.1 3,-1.7 1,-0.3 4,-0.3 0.899 102.9 56.6 -59.7 -41.4 -44.0 0.9 15.7 76 77 A N H 3< S+ 0 0 79 -4,-2.3 -1,-0.3 1,-0.3 3,-0.3 0.728 109.2 50.1 -60.0 -22.8 -43.5 0.3 19.4 77 78 A A T S+ 0 0 46 -3,-1.7 4,-1.3 -4,-0.3 -1,-0.2 0.745 79.9 54.9 -76.5 -20.7 -40.9 -3.4 15.6 79 80 A G H > S+ 0 0 52 -4,-0.3 4,-1.5 -3,-0.3 -1,-0.2 0.885 109.6 50.0 -67.0 -38.4 -37.8 -4.3 17.7 80 81 A A H > S+ 0 0 13 1,-0.2 4,-2.3 -4,-0.2 -2,-0.2 0.895 107.2 54.2 -63.2 -37.7 -39.8 -7.3 18.9 81 82 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.843 99.4 62.5 -65.7 -29.9 -40.5 -8.1 15.2 82 83 A S H X S+ 0 0 37 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.968 108.5 41.8 -54.7 -53.1 -36.8 -8.0 14.5 83 84 A N H X S+ 0 0 4 -4,-1.5 4,-1.2 1,-0.2 -2,-0.2 0.947 112.5 53.8 -61.8 -45.0 -36.3 -10.9 16.8 84 85 A A H <>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.4 0.844 104.4 55.7 -61.5 -35.2 -39.4 -12.8 15.5 85 86 A W H ><5S+ 0 0 74 -4,-2.4 3,-1.2 1,-0.2 -1,-0.2 0.949 110.4 44.8 -60.9 -47.8 -38.2 -12.5 11.9 86 87 A N H 3<5S+ 0 0 42 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.622 113.8 49.0 -78.3 -8.9 -34.9 -14.3 12.9 87 88 A S T 3<5S- 0 0 5 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.351 106.7-124.3-100.6 4.0 -36.6 -17.0 15.0 88 89 A H T < 5 - 0 0 16 -3,-1.2 -3,-0.2 -4,-0.4 63,-0.2 0.899 44.8-179.7 55.3 41.9 -39.1 -17.8 12.2 89 90 A S < - 0 0 0 -5,-2.5 2,-1.5 -6,-0.1 -1,-0.2 -0.605 30.3-130.9 -83.1 129.6 -41.9 -17.1 14.7 90 91 A P + 0 0 4 0, 0.0 -26,-2.1 0, 0.0 2,-0.5 -0.562 44.1 162.5 -81.7 90.8 -45.4 -17.5 13.3 91 92 A L E -d 64 0B 0 -2,-1.5 62,-2.4 -28,-0.2 2,-0.8 -0.924 31.9-155.8-116.1 126.1 -47.0 -14.2 14.5 92 93 A I E -de 65 153B 0 -28,-3.0 -26,-2.9 -2,-0.5 2,-0.7 -0.876 19.1-167.4 -99.8 101.1 -50.2 -12.8 13.0 93 94 A V E -de 66 154B 0 60,-2.5 62,-2.5 -2,-0.8 2,-0.4 -0.838 7.3-178.8 -97.5 113.6 -49.9 -9.1 13.7 94 95 A T E -de 67 155B 5 -28,-2.3 -26,-2.8 -2,-0.7 2,-0.3 -0.860 2.8-176.9-110.4 147.8 -53.1 -7.1 13.2 95 96 A A E -de 68 156B 2 60,-2.2 62,-2.3 -2,-0.4 2,-0.3 -0.999 24.8-117.2-140.9 143.8 -53.4 -3.4 13.7 96 97 A G E -de 69 157B 4 -28,-1.5 -26,-0.7 -2,-0.3 2,-0.3 -0.583 25.6-160.5 -85.6 145.0 -56.4 -1.1 13.4 97 98 A Q E - e 0 158B 2 60,-2.4 62,-2.1 -71,-0.3 13,-0.2 -0.725 30.0 -86.5-112.5 161.0 -56.7 1.7 10.9 98 99 A Q - 0 0 17 -2,-0.3 62,-0.2 11,-0.2 -1,-0.2 -0.170 62.0 -75.6 -57.6 160.0 -58.9 4.8 10.7 99 100 A T >> - 0 0 24 59,-0.2 3,-2.3 60,-0.1 4,-0.8 -0.337 47.1-115.0 -55.1 142.9 -62.3 4.6 9.2 100 101 A R H >> S+ 0 0 71 1,-0.3 3,-1.0 2,-0.2 4,-0.6 0.856 111.8 65.3 -55.4 -35.9 -62.1 4.4 5.4 101 102 A A H 34 S+ 0 0 92 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.676 110.6 34.2 -66.5 -10.7 -63.8 7.8 5.1 102 103 A M H <>>S+ 0 0 80 -3,-2.3 5,-1.6 2,-0.1 4,-0.7 0.392 86.1 94.9-123.8 6.8 -60.9 9.7 6.8 103 104 A I H X<5S+ 0 0 44 -3,-1.0 3,-1.1 -4,-0.8 -2,-0.1 0.937 85.7 54.8 -57.0 -43.1 -57.9 7.8 5.7 104 105 A G T 3<5S+ 0 0 74 -4,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.868 107.7 46.7 -58.9 -44.0 -57.4 10.3 2.9 105 106 A V T 345S- 0 0 113 -4,-0.2 -1,-0.3 1,-0.0 -2,-0.2 0.589 110.2-124.5 -73.3 -11.2 -57.4 13.4 5.1 106 107 A E T <<5 - 0 0 122 -3,-1.1 -3,-0.2 -4,-0.7 -2,-0.1 0.965 35.7-165.8 57.9 58.5 -55.0 11.6 7.5 107 108 A A > < - 0 0 21 -5,-1.6 3,-2.0 1,-0.2 -9,-0.1 -0.232 40.4 -69.5 -56.8 157.4 -57.1 12.0 10.5 108 109 A L T 3 S+ 0 0 145 1,-0.3 -1,-0.2 3,-0.0 3,-0.1 -0.274 126.1 27.9 -46.9 137.7 -55.4 11.4 13.9 109 110 A L T 3 S+ 0 0 56 1,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.441 82.9 143.0 80.2 6.3 -54.6 7.6 14.2 110 111 A T < - 0 0 19 -3,-2.0 2,-0.9 -13,-0.2 -1,-0.3 -0.614 47.9-141.3 -72.8 133.0 -54.4 7.0 10.4 111 112 A N > - 0 0 3 -2,-0.4 3,-1.0 -3,-0.1 2,-0.3 -0.839 23.4-147.3 -94.9 97.5 -51.6 4.5 9.7 112 113 A V T 3 S- 0 0 76 -2,-0.9 5,-0.1 1,-0.3 4,-0.1 -0.524 75.2 -5.5 -73.9 132.7 -50.1 6.1 6.6 113 114 A D T >> S- 0 0 108 -2,-0.3 3,-2.2 1,-0.1 4,-0.6 0.892 87.4-178.1 56.3 42.1 -48.7 3.7 4.0 114 115 A A G X4 + 0 0 6 -3,-1.0 3,-1.3 1,-0.3 -2,-0.1 0.773 67.2 56.6 -52.4 -44.3 -49.5 1.0 6.6 115 116 A A G 34 S+ 0 0 21 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.778 105.1 53.8 -64.1 -25.6 -48.2 -2.1 4.8 116 117 A N G <4 S+ 0 0 73 -3,-2.2 3,-0.3 1,-0.1 -1,-0.3 0.681 90.0 80.4 -78.3 -16.7 -44.7 -0.5 4.4 117 118 A L S << S+ 0 0 52 -3,-1.3 -2,-0.2 -4,-0.6 -1,-0.1 0.952 98.0 35.0 -59.6 -55.0 -44.3 0.2 8.1 118 119 A P S > S+ 0 0 0 0, 0.0 3,-2.3 0, 0.0 -1,-0.2 0.619 97.2 142.3 -80.9 -8.5 -43.3 -3.2 9.4 119 120 A R T 3 + 0 0 116 -4,-0.4 4,-0.1 1,-0.3 -3,-0.0 -0.480 55.3 29.7 -63.8 141.8 -41.3 -4.0 6.3 120 121 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.3 0, 0.0 -3,-0.1 -0.868 115.2 63.5-100.5 26.8 -38.7 -5.5 6.0 121 122 A L S < S+ 0 0 36 -3,-2.3 2,-0.3 30,-0.0 -2,-0.2 0.229 92.8 69.7 -99.0 15.9 -39.4 -7.6 9.1 122 123 A V - 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0 0 2 -6,-1.4 -60,-0.2 -63,-0.2 -66,-0.1 -0.981 48.9 -59.1 178.2 175.7 -42.5 -15.8 10.3 152 153 A P - 0 0 0 0, 0.0 -29,-3.0 0, 0.0 -28,-0.5 -0.419 42.7-172.0 -77.5 149.3 -44.4 -12.7 11.2 153 154 A V E -e 92 0B 0 -62,-2.4 -60,-2.5 -31,-0.2 2,-0.4 -0.903 11.0-139.8-134.9 163.0 -47.1 -11.1 9.0 154 155 A Y E +ef 93 125B 0 -30,-2.3 -28,-2.0 -2,-0.3 2,-0.4 -0.986 14.9 179.7-136.2 131.9 -49.0 -7.9 9.2 155 156 A L E -ef 94 126B 0 -62,-2.5 -60,-2.2 -2,-0.4 2,-0.4 -0.987 9.7-162.0-132.9 122.8 -52.6 -7.0 8.5 156 157 A S E -e 95 0B 0 -30,-2.4 -60,-0.2 -2,-0.4 -41,-0.1 -0.889 11.1-169.4-103.4 129.6 -54.1 -3.4 8.8 157 158 A V E -e 96 0B 3 -62,-2.3 -60,-2.4 -2,-0.4 5,-0.1 -0.950 22.8-126.9-128.5 115.6 -57.9 -3.2 9.0 158 159 A P E > -e 97 0B 0 0, 0.0 3,-2.1 0, 0.0 4,-0.4 -0.331 28.1-125.6 -52.4 134.7 -60.0 0.1 8.8 159 160 A Y G > S+ 0 0 79 -62,-2.1 3,-0.7 1,-0.3 4,-0.3 0.737 104.5 61.3 -66.0 -23.8 -62.2 0.1 11.9 160 161 A D G 3 S+ 0 0 37 1,-0.2 3,-0.4 -62,-0.2 4,-0.3 0.589 87.4 76.6 -75.8 -9.0 -65.4 0.5 10.0 161 162 A D G X S+ 0 0 1 -3,-2.1 3,-1.4 1,-0.2 -158,-0.4 0.833 79.0 69.9 -70.0 -31.8 -64.9 -2.8 8.2 162 163 A W T < S+ 0 0 9 -3,-0.7 -158,-2.6 -4,-0.4 -159,-0.3 0.827 98.8 46.2 -62.3 -33.8 -65.9 -5.0 11.1 163 164 A D T 3 S+ 0 0 104 -3,-0.4 -1,-0.3 -4,-0.3 -2,-0.2 0.540 92.0 102.7 -87.5 -6.2 -69.6 -4.2 11.1 164 165 A K S < S- 0 0 105 -3,-1.4 -161,-2.6 -4,-0.3 -160,-0.2 -0.316 85.3 -88.9 -72.6 160.5 -70.1 -4.5 7.4 165 166 A D B -A 2 0A 134 -163,-0.2 -163,-0.3 -162,-0.1 2,-0.2 -0.442 42.2-131.2 -68.6 137.0 -71.7 -7.6 5.8 166 167 A A - 0 0 14 -165,-2.9 -34,-0.1 -2,-0.2 -33,-0.1 -0.519 27.0 -97.0 -82.3 160.4 -69.3 -10.4 5.0 167 168 A D > - 0 0 75 -35,-0.5 3,-2.2 -2,-0.2 4,-0.2 -0.612 26.9-137.1 -72.1 127.0 -69.2 -12.2 1.7 168 169 A P G > S+ 0 0 106 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.844 102.9 64.7 -59.7 -24.7 -71.3 -15.4 2.0 169 170 A Q G > S+ 0 0 109 1,-0.3 3,-1.5 2,-0.1 4,-0.2 0.553 75.1 89.9 -78.0 -2.3 -68.5 -17.2 0.1 170 171 A S G X + 0 0 8 -3,-2.2 3,-2.2 1,-0.3 4,-0.5 0.705 66.3 81.0 -65.8 -16.1 -66.1 -16.6 3.0 171 172 A H G X S+ 0 0 95 -3,-1.3 3,-1.1 1,-0.3 4,-0.4 0.787 77.6 69.3 -61.4 -25.7 -67.2 -19.9 4.5 172 173 A H G < S+ 0 0 116 -3,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.688 93.7 59.3 -63.8 -17.7 -64.8 -21.7 2.1 173 174 A L G X S+ 0 0 18 -3,-2.2 3,-1.2 -4,-0.2 -1,-0.3 0.770 85.3 79.9 -73.6 -30.3 -61.9 -20.2 4.1 174 175 A F T < S+ 0 0 25 -3,-1.1 -1,-0.2 -4,-0.5 -2,-0.1 0.848 101.7 26.4 -59.0 -45.4 -62.8 -21.7 7.5 175 176 A D T 3 S+ 0 0 106 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.1 0.201 80.3 142.7-108.4 19.7 -61.4 -25.2 7.1 176 177 A R < - 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