==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-APR-06 2GT1 . COMPND 2 MOLECULE: LIPOPOLYSACCHARIDE HEPTOSYLTRANSFERASE-1; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI UTI89; . AUTHOR S.GRIZOT,M.SALEM,V.VONGSOUTHI,L.DURAND,F.MOREAU,H.DOHI, . 626 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28562.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 456 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 98 15.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 57 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 178 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 5 2 1 2 1 6 2 0 2 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 5 7 5 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 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 1 A M 0 0 111 0, 0.0 31,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 135.2 -23.7 63.1 49.3 2 2 A R E -a 32 0A 51 29,-0.2 86,-2.4 84,-0.1 87,-0.8 -0.987 360.0-172.0-125.0 124.3 -23.7 59.7 47.7 3 3 A V E -ab 33 89A 0 29,-2.5 31,-2.9 -2,-0.5 2,-0.5 -0.907 14.9-142.0-117.7 140.7 -20.6 58.4 45.9 4 4 A L E -ab 34 90A 0 85,-2.6 87,-3.4 -2,-0.4 2,-0.5 -0.895 14.1-154.3-104.2 131.2 -20.3 55.3 43.7 5 5 A I E -ab 35 91A 0 29,-2.4 31,-2.9 -2,-0.5 2,-0.7 -0.880 6.4-164.0-105.0 128.8 -17.0 53.4 43.9 6 6 A V E +ab 36 92A 0 85,-2.8 87,-2.0 -2,-0.5 88,-0.6 -0.933 42.4 124.7-112.4 106.0 -15.8 51.2 41.0 7 7 A K + 0 0 22 29,-1.6 31,-0.1 -2,-0.7 10,-0.1 -0.637 24.2 162.2-162.5 89.9 -13.0 48.9 42.4 8 8 A T + 0 0 6 29,-0.2 30,-2.1 -2,-0.2 2,-0.4 0.851 40.3 52.7 -90.6 -38.9 -13.9 45.3 41.8 9 9 A S + 0 0 49 28,-0.1 -1,-0.1 4,-0.1 2,-0.1 -0.891 69.8 40.5-136.4 161.7 -10.9 43.1 42.1 10 10 A S > - 0 0 45 -2,-0.4 4,-2.4 3,-0.1 5,-0.2 0.474 66.6-125.3 93.3 119.2 -8.0 41.7 43.8 11 11 A M H > S+ 0 0 31 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.913 113.6 53.1 -55.9 -42.1 -9.1 41.3 47.4 12 12 A G H > S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.898 106.5 50.4 -61.5 -42.1 -6.0 43.3 48.2 13 13 A D H > S+ 0 0 59 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.903 111.5 49.3 -63.3 -40.2 -7.0 46.1 45.9 14 14 A V H >X S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.2 4,-0.5 0.964 113.0 46.2 -63.2 -51.3 -10.5 46.2 47.4 15 15 A L H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.3 -2,-0.2 0.872 105.0 60.6 -58.3 -39.3 -9.1 46.3 51.0 16 16 A H H 3< S+ 0 0 14 -4,-2.5 -1,-0.3 1,-0.3 4,-0.2 0.619 97.4 62.6 -66.0 -12.0 -6.5 49.0 50.1 17 17 A T H XX S+ 0 0 0 -3,-1.4 3,-1.0 -4,-0.5 4,-0.9 0.706 81.8 82.3 -84.0 -22.7 -9.5 51.3 49.1 18 18 A L H XX S+ 0 0 0 -3,-1.4 4,-1.7 -4,-0.5 3,-0.7 0.860 81.7 58.8 -53.6 -45.7 -10.9 51.3 52.7 19 19 A P H 3> S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 143,-0.3 0.817 100.9 57.9 -57.7 -29.9 -8.7 54.1 54.1 20 20 A A H <> S+ 0 0 1 -3,-1.0 4,-2.2 -4,-0.2 -2,-0.2 0.860 104.0 50.5 -68.3 -36.5 -9.9 56.5 51.5 21 21 A L H < S- 0 0 33 -4,-3.1 3,-2.1 -5,-0.2 -1,-0.2 -0.793 83.3-146.4-125.0 86.2 -17.5 65.1 54.6 29 29 A P T 3 S+ 0 0 114 0, 0.0 -3,-0.1 0, 0.0 -4,-0.1 -0.198 83.3 16.9 -51.1 136.6 -20.0 64.3 57.4 30 30 A G T 3 S+ 0 0 61 1,-0.3 -5,-0.1 -5,-0.2 -4,-0.1 0.250 86.0 145.3 86.6 -15.8 -22.9 62.2 56.2 31 31 A I < - 0 0 1 -3,-2.1 2,-0.3 -7,-0.2 -1,-0.3 -0.261 27.5-168.2 -59.3 140.5 -21.3 61.0 53.0 32 32 A K E -a 2 0A 71 -31,-2.2 -29,-2.5 19,-0.0 2,-0.4 -0.973 6.8-147.3-131.9 148.7 -22.2 57.5 52.0 33 33 A F E -ac 3 51A 0 17,-3.0 19,-3.4 -2,-0.3 2,-0.3 -0.912 5.7-158.8-119.9 141.5 -20.7 55.2 49.3 34 34 A D E -a 4 0A 3 -31,-2.9 -29,-2.4 -2,-0.4 2,-0.4 -0.801 23.6-153.2-104.8 158.4 -22.1 52.5 47.1 35 35 A W E -ac 5 54A 0 18,-2.4 20,-2.8 -2,-0.3 2,-0.7 -0.946 17.4-152.0-146.3 121.7 -19.6 50.0 45.8 36 36 A V E +ac 6 55A 0 -31,-2.9 -29,-1.6 -2,-0.4 2,-0.3 -0.805 38.0 158.9 -89.2 117.7 -19.3 47.8 42.7 37 37 A V E - c 0 56A 0 18,-1.2 20,-1.9 -2,-0.7 -29,-0.2 -0.968 47.5 -88.6-142.1 152.5 -17.2 44.8 43.7 38 38 A E E > - c 0 57A 31 -30,-2.1 3,-2.2 -2,-0.3 4,-0.4 -0.349 44.0-116.4 -58.5 141.6 -16.5 41.2 42.5 39 39 A E G > S+ 0 0 82 18,-2.8 3,-1.3 1,-0.3 4,-0.3 0.818 112.2 62.3 -50.7 -40.2 -19.0 38.8 44.1 40 40 A G G 3 S+ 0 0 56 1,-0.2 -1,-0.3 17,-0.2 3,-0.1 0.708 112.9 36.5 -62.2 -18.0 -16.2 36.9 45.9 41 41 A F G X S+ 0 0 38 -3,-2.2 3,-1.4 -33,-0.2 -1,-0.2 0.289 80.8 115.3-116.5 8.8 -15.3 40.1 47.8 42 42 A A T <> S+ 0 0 26 -3,-1.3 4,-0.7 -4,-0.4 -2,-0.1 0.736 70.4 59.4 -52.4 -29.3 -18.8 41.6 48.3 43 43 A Q H 3> S+ 0 0 66 -4,-0.3 4,-0.6 1,-0.2 3,-0.3 0.833 90.3 72.9 -72.6 -28.1 -18.7 41.3 52.1 44 44 A I H X4 S+ 0 0 0 -3,-1.4 3,-1.6 1,-0.2 4,-0.4 0.923 95.1 46.6 -54.0 -53.1 -15.7 43.5 52.5 45 45 A P H >4 S+ 0 0 0 0, 0.0 3,-1.7 0, 0.0 6,-0.3 0.855 102.8 65.9 -60.1 -32.3 -17.3 46.9 51.7 46 46 A S H 3< S+ 0 0 61 -4,-0.7 -2,-0.2 -3,-0.3 -3,-0.1 0.679 90.9 65.3 -63.7 -16.8 -20.3 46.1 54.0 47 47 A W T << S+ 0 0 9 -3,-1.6 2,-0.4 -4,-0.6 -1,-0.3 0.674 85.2 86.2 -80.3 -15.6 -17.9 46.2 57.0 48 48 A H S X S- 0 0 4 -3,-1.7 3,-1.7 -4,-0.4 117,-0.1 -0.712 76.6-137.3 -90.3 134.5 -17.2 49.9 56.6 49 49 A A T 3 S+ 0 0 68 115,-0.5 -1,-0.1 -2,-0.4 116,-0.1 0.780 100.2 57.3 -57.7 -31.5 -19.5 52.4 58.3 50 50 A A T 3 S+ 0 0 0 -18,-0.1 -17,-3.0 -5,-0.0 2,-0.4 0.465 86.4 98.2 -81.5 -2.2 -19.6 54.7 55.2 51 51 A V E < +c 33 0A 18 -3,-1.7 -17,-0.2 -6,-0.3 3,-0.1 -0.733 38.0 165.1 -94.2 134.1 -20.9 52.1 52.8 52 52 A E E + 0 0 107 -19,-3.4 2,-0.4 -2,-0.4 -18,-0.2 0.701 62.0 24.2-104.8 -87.6 -24.5 51.8 51.8 53 53 A R E - 0 0 148 -20,-0.0 -18,-2.4 2,-0.0 2,-0.5 -0.680 60.3-158.0 -90.6 132.2 -25.2 49.6 48.8 54 54 A V E -c 35 0A 40 -2,-0.4 -18,-0.2 -20,-0.2 -20,-0.0 -0.933 6.9-164.0-105.8 125.4 -22.9 46.9 47.6 55 55 A I E -c 36 0A 4 -20,-2.8 -18,-1.2 -2,-0.5 2,-0.1 -0.875 12.7-149.9-114.7 98.9 -23.4 46.1 43.9 56 56 A P E -c 37 0A 65 0, 0.0 2,-0.3 0, 0.0 -18,-0.2 -0.367 15.2-177.0 -72.6 142.8 -21.7 42.7 43.0 57 57 A V E -c 38 0A 0 -20,-1.9 -18,-2.8 -49,-0.1 -17,-0.2 -0.868 17.6-163.2-128.6 164.2 -20.3 41.8 39.6 58 58 A A > + 0 0 1 -2,-0.3 4,-3.2 -20,-0.2 5,-0.3 -0.468 20.8 165.1-147.7 63.4 -18.7 38.6 38.3 59 59 A I H > S+ 0 0 20 1,-0.2 4,-3.0 2,-0.2 5,-0.1 0.908 75.3 44.1 -50.6 -54.8 -16.9 39.7 35.2 60 60 A R H > S+ 0 0 172 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.901 117.5 45.1 -62.2 -42.3 -14.7 36.6 34.7 61 61 A R H >4 S+ 0 0 107 1,-0.2 3,-0.9 2,-0.2 -2,-0.2 0.928 115.9 46.2 -67.5 -45.2 -17.6 34.2 35.4 62 62 A W H 3< S+ 0 0 9 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.916 102.0 66.3 -61.5 -43.9 -20.0 36.1 33.2 63 63 A R H >< S+ 0 0 163 -4,-3.0 2,-1.2 -5,-0.3 3,-0.6 0.723 88.8 70.6 -51.3 -24.7 -17.4 36.3 30.4 64 64 A K T << S+ 0 0 130 -3,-0.9 -1,-0.2 -4,-0.6 -4,-0.0 -0.636 124.8 1.4 -96.9 75.4 -17.6 32.5 30.1 65 65 A A T > S+ 0 0 50 -2,-1.2 3,-1.6 5,-0.0 6,-0.3 0.671 80.5 171.2 112.8 43.8 -21.1 32.5 28.5 66 66 A W T < S+ 0 0 37 -3,-0.6 9,-0.2 1,-0.3 -2,-0.1 0.826 74.9 38.3 -49.9 -45.1 -21.8 36.2 28.3 67 67 A F T 3 S+ 0 0 158 -4,-0.1 -1,-0.3 4,-0.1 2,-0.1 0.264 83.9 121.7 -97.6 13.8 -25.0 36.0 26.3 68 68 A S S <> S- 0 0 41 -3,-1.6 4,-3.5 1,-0.1 5,-0.3 -0.470 75.8-111.9 -73.1 148.6 -26.6 32.9 27.8 69 69 A A H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.886 114.7 50.4 -46.9 -50.5 -30.0 33.4 29.3 70 70 A P H > S+ 0 0 88 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.960 117.4 37.5 -55.3 -56.5 -28.9 32.9 32.9 71 71 A I H > S+ 0 0 17 -6,-0.3 4,-3.3 1,-0.2 5,-0.3 0.913 112.5 59.4 -62.1 -42.4 -25.9 35.3 32.7 72 72 A K H X S+ 0 0 85 -4,-3.5 4,-2.0 1,-0.2 -1,-0.2 0.900 107.2 47.8 -51.9 -43.0 -28.0 37.7 30.6 73 73 A A H X S+ 0 0 59 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.921 111.5 49.3 -65.3 -45.7 -30.4 37.8 33.4 74 74 A E H X S+ 0 0 76 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.947 111.8 48.1 -59.0 -50.6 -27.7 38.5 36.0 75 75 A R H X S+ 0 0 18 -4,-3.3 4,-2.9 1,-0.2 5,-0.2 0.867 110.1 52.1 -59.5 -38.9 -26.1 41.2 33.9 76 76 A K H X S+ 0 0 107 -4,-2.0 4,-2.2 -5,-0.3 -1,-0.2 0.928 109.7 48.9 -64.5 -43.4 -29.5 42.9 33.4 77 77 A A H X S+ 0 0 60 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.889 112.5 50.8 -62.0 -38.3 -30.1 42.9 37.1 78 78 A F H X S+ 0 0 11 -4,-2.2 4,-3.1 2,-0.2 -2,-0.2 0.944 109.2 47.7 -64.3 -51.4 -26.6 44.3 37.6 79 79 A R H X S+ 0 0 76 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.886 111.7 51.6 -59.8 -37.4 -27.1 47.2 35.1 80 80 A E H X S+ 0 0 105 -4,-2.2 4,-0.6 -5,-0.2 -1,-0.2 0.897 112.5 45.4 -66.6 -38.6 -30.4 48.1 36.7 81 81 A A H >X S+ 0 0 24 -4,-1.8 3,-0.8 -5,-0.2 4,-0.5 0.937 113.4 50.5 -68.2 -47.3 -28.8 48.2 40.1 82 82 A L H 3< S+ 0 0 0 -4,-3.1 26,-0.4 1,-0.2 3,-0.3 0.877 116.2 40.1 -58.3 -41.8 -25.9 50.2 38.9 83 83 A Q H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.444 88.9 94.3 -91.9 1.5 -28.0 52.8 37.1 84 84 A A H << S+ 0 0 76 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 0.917 82.9 49.4 -59.3 -46.8 -30.7 53.1 39.8 85 85 A K S < S- 0 0 79 -4,-0.5 2,-0.8 -3,-0.3 23,-0.6 -0.702 73.9-134.8-102.1 149.1 -29.2 56.1 41.6 86 86 A N B -f 108 0B 125 -2,-0.3 23,-0.2 21,-0.1 2,-0.2 -0.879 34.4-150.2 -98.2 110.0 -27.9 59.4 40.3 87 87 A Y - 0 0 13 21,-2.9 23,-0.5 -2,-0.8 -84,-0.2 -0.466 23.4-137.7 -85.3 151.7 -24.6 59.9 42.2 88 88 A D S S- 0 0 94 -86,-2.4 2,-0.3 1,-0.3 22,-0.2 0.747 94.7 -3.9 -73.9 -23.3 -22.8 63.1 43.2 89 89 A A E -b 3 0A 4 -87,-0.8 -85,-2.6 19,-0.1 2,-0.5 -0.959 58.3-149.9-166.0 149.0 -19.6 61.4 42.0 90 90 A V E -bd 4 111A 0 20,-2.6 22,-3.6 -2,-0.3 2,-0.6 -0.999 18.6-161.6-123.1 125.1 -18.5 58.1 40.6 91 91 A I E -bd 5 112A 0 -87,-3.4 -85,-2.8 -2,-0.5 2,-0.9 -0.945 6.5-162.6-116.4 115.7 -14.9 57.3 41.5 92 92 A D E +b 6 0A 0 20,-3.2 22,-0.4 -2,-0.6 -85,-0.2 -0.855 16.3 169.8 -93.9 106.8 -13.2 54.6 39.4 93 93 A A + 0 0 4 -87,-2.0 -86,-0.1 -2,-0.9 -1,-0.1 0.229 67.2 69.9-101.8 14.0 -10.2 53.6 41.6 94 94 A Q S S- 0 0 21 -88,-0.6 26,-0.3 2,-0.1 -1,-0.1 0.852 74.6-160.8 -96.5 -46.6 -9.4 50.7 39.3 95 95 A G + 0 0 0 1,-0.2 26,-2.1 24,-0.1 2,-0.4 0.823 41.5 131.9 68.3 32.5 -8.2 52.3 36.1 96 96 A L > - 0 0 52 24,-0.2 4,-2.1 28,-0.1 -1,-0.2 -0.925 59.4-134.8-115.4 140.7 -8.7 49.4 33.8 97 97 A V H > S+ 0 0 45 -2,-0.4 4,-3.0 1,-0.2 5,-0.3 0.923 102.3 59.0 -59.9 -43.1 -10.4 49.7 30.4 98 98 A K H > S+ 0 0 141 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.938 113.4 34.8 -52.9 -54.9 -12.5 46.6 31.1 99 99 A S H >>S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 5,-1.6 0.830 116.3 56.4 -72.4 -29.4 -14.2 47.8 34.2 100 100 A A H <>S+ 0 0 0 -4,-2.1 5,-2.6 3,-0.2 -2,-0.2 0.887 113.7 39.7 -68.0 -37.6 -14.3 51.4 33.0 101 101 A A H <5S+ 0 0 31 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.832 123.2 39.1 -81.5 -32.3 -16.3 50.4 29.9 102 102 A L H <5S+ 0 0 47 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.804 136.7 7.4 -87.7 -29.2 -18.5 47.9 31.5 103 103 A V T >X5S+ 0 0 0 -4,-2.3 3,-1.3 -5,-0.2 4,-0.9 0.772 124.6 47.0-116.1 -66.8 -19.2 49.7 34.8 104 104 A T G >4> - 0 0 30 17,-2.0 4,-2.7 -2,-0.1 3,-0.6 -0.143 34.6 -88.8 -77.7 176.7 -5.5 60.4 34.1 116 116 A W T 34 S+ 0 0 126 1,-0.2 8,-0.1 2,-0.2 -1,-0.1 0.849 126.3 51.8 -53.9 -38.2 -3.7 59.0 31.0 117 117 A Q T 34 S+ 0 0 127 1,-0.2 -1,-0.2 5,-0.1 16,-0.1 0.821 123.2 25.2 -72.3 -28.7 -0.3 59.4 32.7 118 118 A T T <4 S+ 0 0 3 -3,-0.6 -2,-0.2 14,-0.1 -1,-0.2 0.588 87.8 107.7-117.3 -9.2 -1.2 57.5 35.9 119 119 A A S < S- 0 0 0 -4,-2.7 -24,-0.1 1,-0.1 -23,-0.1 -0.383 76.1-118.8 -68.0 149.1 -4.1 55.1 35.2 120 120 A R S S+ 0 0 179 1,-0.3 -24,-0.2 -26,-0.3 -1,-0.1 0.915 113.5 26.7 -53.0 -44.6 -3.0 51.4 35.1 121 121 A E S > S- 0 0 80 -26,-2.1 3,-2.6 1,-0.1 4,-0.4 -0.959 84.4-147.2-122.2 106.4 -4.2 51.3 31.5 122 122 A P G > S+ 0 0 50 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.815 95.0 61.6 -38.4 -48.0 -3.9 54.9 30.0 123 123 A L G > S+ 0 0 97 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.734 87.7 73.9 -57.4 -23.2 -6.9 54.4 27.7 124 124 A A G X S+ 0 0 0 -3,-2.6 3,-1.8 -29,-0.3 -1,-0.3 0.835 82.6 70.6 -60.5 -30.1 -9.1 54.0 30.8 125 125 A S G X S+ 0 0 4 -3,-1.8 3,-1.6 -4,-0.4 -1,-0.3 0.774 83.1 70.5 -58.0 -28.0 -8.8 57.7 31.4 126 126 A L G < S+ 0 0 113 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.668 89.8 61.2 -66.6 -15.9 -11.0 58.4 28.3 127 127 A F G < S+ 0 0 64 -3,-1.8 2,-0.3 -4,-0.2 -1,-0.3 0.410 91.5 85.9 -91.1 2.5 -14.1 57.1 30.2 128 128 A Y < - 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