==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 06-APR-11 3RFF . COMPND 2 MOLECULE: PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR V.I.TIMOFEEV,E.A.SMIRNOVA,L.A.CHUPOVA,R.S.ESIPOV,I.P.KURANOV . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8623.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 106 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 14.6 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 . 1 0.6 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 . 5 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 53 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 0 0 0 1 0 1 1 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 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 . 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 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 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 0 219 0, 0.0 2,-0.4 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 -24.9 -21.2 -27.3 -15.6 2 2 A T + 0 0 59 80,-0.1 28,-1.2 2,-0.0 2,-0.3 -0.858 360.0 162.7-114.7 145.6 -18.2 -29.7 -15.6 3 3 A G E -a 30 0A 12 -2,-0.4 80,-0.5 26,-0.2 2,-0.3 -0.996 15.9-163.4-157.6 150.9 -16.2 -31.1 -12.7 4 4 A A E -a 31 0A 0 26,-2.0 28,-2.3 -2,-0.3 2,-0.4 -0.986 12.8-141.3-136.2 149.7 -13.8 -33.8 -11.7 5 5 A V E -ab 32 85A 0 79,-2.1 81,-2.7 -2,-0.3 28,-0.2 -0.912 5.2-159.9-107.1 138.1 -12.6 -35.3 -8.5 6 6 A C E -a 33 0A 3 26,-2.9 28,-1.4 -2,-0.4 2,-0.2 -0.879 21.0-169.6-114.6 95.2 -9.0 -36.4 -8.0 7 7 A P E +a 34 0A 17 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.553 22.0 119.1 -90.5 149.8 -9.0 -38.9 -5.0 8 8 A G E -a 35 0A 21 26,-2.0 28,-2.5 -2,-0.2 61,-0.2 -0.942 65.4-106.0 173.3 169.6 -6.0 -40.2 -3.2 9 9 A S - 0 0 64 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.775 40.6-163.0 -82.9 -28.5 -4.1 -40.5 0.1 10 10 A F > - 0 0 7 2,-0.2 3,-0.8 1,-0.2 44,-0.1 0.906 11.9-179.7 43.1 59.4 -1.4 -38.0 -1.0 11 11 A D T 3 S- 0 0 7 1,-0.7 33,-0.2 33,-0.0 -1,-0.2 -0.629 88.3 -9.1-120.7 71.1 1.0 -39.1 1.7 12 12 A P T 3 S- 0 0 0 0, 0.0 -1,-0.7 0, 0.0 -2,-0.2 0.631 93.6-122.1 -97.4 172.8 2.7 -37.0 0.4 13 13 A V < - 0 0 1 -3,-0.8 2,-0.2 37,-0.2 113,-0.1 -0.380 32.3-156.6 -61.6 144.1 1.6 -35.5 -2.9 14 14 A T > - 0 0 2 130,-0.1 4,-2.1 111,-0.1 130,-0.2 -0.709 33.1-104.5-117.1 171.9 4.1 -35.9 -5.7 15 15 A L H > S+ 0 0 36 128,-2.4 4,-2.2 -2,-0.2 129,-0.1 0.716 122.1 63.7 -68.7 -18.0 4.8 -34.0 -8.9 16 16 A G H > S+ 0 0 6 127,-0.5 4,-1.5 2,-0.2 -1,-0.2 0.924 105.4 43.2 -67.4 -43.6 3.1 -37.0 -10.5 17 17 A H H > S+ 0 0 54 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.904 112.7 52.3 -65.0 -43.8 -0.1 -36.1 -8.7 18 18 A V H X S+ 0 0 6 -4,-2.1 4,-2.6 1,-0.2 5,-0.2 0.908 104.3 56.8 -63.1 -40.6 0.3 -32.4 -9.5 19 19 A D H X S+ 0 0 18 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.929 110.1 45.5 -52.0 -46.2 0.8 -33.2 -13.2 20 20 A I H X S+ 0 0 8 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.900 109.9 53.4 -68.0 -42.4 -2.6 -34.9 -13.0 21 21 A F H X S+ 0 0 3 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.896 108.5 51.9 -54.2 -42.6 -4.3 -32.1 -11.1 22 22 A E H X S+ 0 0 76 -4,-2.6 4,-1.1 2,-0.2 -1,-0.2 0.885 110.1 47.1 -66.1 -38.3 -3.0 -29.7 -13.8 23 23 A R H X S+ 0 0 99 -4,-1.6 4,-0.9 -5,-0.2 -1,-0.2 0.889 112.4 49.2 -74.3 -37.1 -4.5 -31.7 -16.6 24 24 A A H >X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 3,-0.7 0.917 110.7 50.9 -63.1 -42.6 -7.9 -32.1 -14.8 25 25 A A H 3< S+ 0 0 11 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.769 109.0 52.3 -67.9 -24.0 -8.0 -28.3 -14.1 26 26 A A H 3< S+ 0 0 73 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.725 118.4 35.3 -81.8 -20.7 -7.3 -27.6 -17.8 27 27 A Q H << S+ 0 0 150 -4,-0.9 2,-0.3 -3,-0.7 -2,-0.2 0.598 114.1 54.2-112.0 -16.0 -10.1 -29.8 -19.0 28 28 A F S < S- 0 0 42 -4,-2.0 -25,-0.1 -5,-0.1 3,-0.1 -0.926 74.0-129.6-123.7 148.2 -12.8 -29.4 -16.3 29 29 A D S S+ 0 0 101 -2,-0.3 2,-0.4 1,-0.2 -26,-0.2 0.879 96.2 17.0 -61.6 -39.4 -14.5 -26.2 -15.0 30 30 A E E -a 3 0A 70 -28,-1.2 -26,-2.0 -6,-0.1 2,-0.4 -0.996 65.7-164.8-137.0 142.0 -13.8 -27.3 -11.4 31 31 A V E -ac 4 64A 0 32,-2.2 34,-2.4 -2,-0.4 2,-0.5 -0.987 2.7-164.1-125.4 136.4 -11.5 -29.8 -9.8 32 32 A V E -ac 5 65A 0 -28,-2.3 -26,-2.9 -2,-0.4 2,-0.7 -0.983 10.1-150.6-120.1 121.7 -11.7 -31.2 -6.3 33 33 A V E -ac 6 66A 0 32,-3.1 34,-2.7 -2,-0.5 2,-0.8 -0.834 15.0-156.0 -88.8 115.9 -8.8 -33.0 -4.8 34 34 A A E -ac 7 67A 2 -28,-1.4 -26,-2.0 -2,-0.7 2,-0.7 -0.840 2.0-158.8 -99.4 110.2 -10.2 -35.5 -2.3 35 35 A I E -ac 8 68A 0 32,-2.8 34,-2.6 -2,-0.8 -26,-0.2 -0.782 17.0-139.3 -89.6 114.5 -7.7 -36.5 0.4 36 36 A L E - c 0 69A 41 -28,-2.5 34,-0.1 -2,-0.7 2,-0.1 -0.465 16.1-115.9 -76.5 143.1 -8.8 -39.8 1.9 37 37 A V - 0 0 53 32,-1.0 -1,-0.1 -2,-0.2 34,-0.1 -0.437 18.0-127.8 -71.4 149.5 -8.5 -40.3 5.7 38 38 A N > + 0 0 59 1,-0.2 3,-1.1 -2,-0.1 5,-0.2 -0.805 33.0 176.1 -99.7 91.3 -6.1 -43.0 6.9 39 39 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.884 74.0 52.1 -65.8 -45.4 -8.5 -44.9 9.2 40 40 A A T 3 S- 0 0 75 2,-0.0 -2,-0.0 1,-0.0 0, 0.0 0.285 108.4-126.6 -79.9 11.8 -6.2 -47.8 10.3 41 41 A K < + 0 0 170 -3,-1.1 -4,-0.0 1,-0.1 -1,-0.0 0.875 69.4 109.6 44.2 111.2 -3.6 -45.2 11.3 42 42 A T + 0 0 123 -4,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.377 36.9 123.7 170.5 13.5 -0.1 -45.7 9.8 43 43 A G - 0 0 38 -5,-0.2 3,-0.1 1,-0.1 -32,-0.0 -0.165 61.1-123.2 -77.5 179.3 0.7 -42.9 7.3 44 44 A M S S+ 0 0 34 1,-0.2 2,-0.4 -33,-0.2 -1,-0.1 0.868 93.7 40.0 -89.9 -45.2 3.8 -40.6 7.4 45 45 A F S S- 0 0 5 2,-0.0 -1,-0.2 1,-0.0 -3,-0.1 -0.878 84.3-123.7-109.3 136.6 2.0 -37.3 7.4 46 46 A D >> - 0 0 93 -2,-0.4 4,-2.0 -3,-0.1 3,-0.7 -0.285 36.8 -95.1 -73.8 165.5 -1.2 -36.5 9.3 47 47 A L H 3> S+ 0 0 46 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.856 123.4 51.3 -50.4 -47.2 -4.3 -35.2 7.5 48 48 A D H 3> S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.878 109.7 50.7 -61.4 -38.2 -3.6 -31.5 8.2 49 49 A E H <> S+ 0 0 60 -3,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.891 110.3 49.9 -64.9 -39.5 -0.1 -31.9 6.8 50 50 A R H X S+ 0 0 7 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.878 110.4 49.2 -68.8 -40.6 -1.4 -33.6 3.6 51 51 A I H X S+ 0 0 31 -4,-2.3 4,-2.9 -5,-0.2 5,-0.2 0.956 112.4 48.4 -60.4 -51.8 -4.0 -30.9 3.0 52 52 A A H X S+ 0 0 26 -4,-2.2 4,-3.1 1,-0.2 5,-0.2 0.909 110.1 51.4 -56.3 -46.7 -1.4 -28.1 3.5 53 53 A M H X S+ 0 0 0 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.885 113.1 45.1 -60.4 -40.0 1.1 -29.8 1.1 54 54 A V H < S+ 0 0 1 -4,-1.9 4,-0.4 2,-0.2 3,-0.3 0.943 114.7 47.8 -69.7 -47.0 -1.6 -30.2 -1.6 55 55 A K H >< S+ 0 0 109 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.936 112.9 47.9 -56.6 -49.5 -2.8 -26.6 -1.2 56 56 A E H 3< S+ 0 0 70 -4,-3.1 3,-0.5 1,-0.3 -1,-0.2 0.746 111.9 51.1 -65.0 -24.5 0.7 -25.1 -1.2 57 57 A S T 3< S+ 0 0 11 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.394 111.7 47.2 -93.0 0.2 1.6 -27.1 -4.3 58 58 A T X + 0 0 10 -3,-1.4 3,-1.7 -4,-0.4 6,-0.2 0.015 64.8 118.7-133.2 26.8 -1.5 -26.0 -6.3 59 59 A T T 3 S+ 0 0 120 -3,-0.5 -1,-0.1 1,-0.3 -2,-0.1 0.681 74.3 63.6 -70.6 -14.9 -1.7 -22.3 -5.8 60 60 A H T 3 S+ 0 0 92 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.380 89.4 75.1 -88.3 3.4 -1.3 -21.9 -9.6 61 61 A L X + 0 0 21 -3,-1.7 3,-1.8 1,-0.1 -1,-0.2 -0.773 56.8 177.1-119.7 85.7 -4.6 -23.7 -10.2 62 62 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.720 78.9 54.2 -65.2 -24.8 -7.4 -21.3 -9.3 63 63 A N T 3 S+ 0 0 53 -35,-0.1 -32,-2.2 -38,-0.1 2,-0.4 0.233 93.1 91.5 -95.1 14.5 -10.2 -23.6 -10.3 64 64 A L E < -c 31 0A 20 -3,-1.8 2,-0.3 -6,-0.2 -32,-0.2 -0.896 52.4-175.7-111.5 138.2 -9.0 -26.4 -8.0 65 65 A R E -c 32 0A 96 -34,-2.4 -32,-3.1 -2,-0.4 2,-0.4 -0.936 17.1-134.3-130.7 157.0 -10.0 -27.0 -4.3 66 66 A V E +c 33 0A 8 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.925 28.2 163.7-117.3 132.1 -8.9 -29.4 -1.6 67 67 A Q E -c 34 0A 89 -34,-2.7 -32,-2.8 -2,-0.4 2,-0.4 -0.987 38.4-109.4-144.2 151.1 -11.2 -31.4 0.6 68 68 A V E -c 35 0A 27 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.656 34.6-141.1 -78.0 133.0 -11.1 -34.4 3.0 69 69 A G E -c 36 0A 0 -34,-2.6 -32,-1.0 -2,-0.4 2,-0.4 -0.763 17.1-172.6 -96.0 142.7 -12.9 -37.4 1.7 70 70 A H - 0 0 124 -2,-0.3 2,-0.1 2,-0.2 6,-0.1 -1.000 51.6 -13.5-132.8 135.4 -14.9 -39.7 3.9 71 71 A G S S+ 0 0 65 -2,-0.4 -34,-0.1 4,-0.1 2,-0.1 -0.395 114.1 8.1 78.9-156.7 -16.6 -43.0 2.9 72 72 A L >> - 0 0 95 1,-0.1 4,-1.8 -2,-0.1 3,-0.8 -0.349 65.8-133.2 -62.0 133.7 -17.0 -44.2 -0.7 73 73 A V H 3> S+ 0 0 38 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.901 108.1 56.7 -51.5 -43.2 -15.2 -42.0 -3.3 74 74 A V H 3> S+ 0 0 2 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.806 103.7 53.4 -64.6 -28.3 -18.4 -42.1 -5.4 75 75 A D H <> S+ 0 0 91 -3,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.906 111.4 45.7 -68.3 -41.8 -20.4 -40.7 -2.4 76 76 A F H X S+ 0 0 29 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.926 112.7 51.4 -64.4 -44.9 -17.8 -37.8 -2.2 77 77 A V H ><>S+ 0 0 0 -4,-3.0 5,-1.9 1,-0.2 3,-1.1 0.953 112.0 44.3 -57.9 -53.5 -18.0 -37.3 -5.9 78 78 A R H ><5S+ 0 0 126 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.812 107.7 60.0 -64.9 -28.7 -21.7 -37.1 -6.1 79 79 A S H 3<5S+ 0 0 106 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.743 101.2 55.5 -68.1 -22.6 -21.7 -34.8 -3.0 80 80 A C T <<5S- 0 0 28 -3,-1.1 -1,-0.3 -4,-1.1 -2,-0.2 0.436 121.4-111.6 -85.0 -0.9 -19.6 -32.4 -5.1 81 81 A G T < 5S+ 0 0 72 -3,-1.4 2,-0.2 1,-0.3 -3,-0.2 0.712 81.9 116.1 75.8 22.1 -22.3 -32.4 -7.7 82 82 A M < - 0 0 12 -5,-1.9 -1,-0.3 -6,-0.2 -2,-0.1 -0.662 53.1-162.6-118.2 171.8 -20.0 -34.2 -10.1 83 83 A T + 0 0 66 -80,-0.5 29,-2.8 -2,-0.2 2,-0.4 0.107 64.4 85.1-141.1 21.9 -20.0 -37.6 -11.9 84 84 A A E - d 0 112A 8 -81,-0.3 -79,-2.1 27,-0.2 2,-0.4 -0.986 48.7-166.3-133.8 140.7 -16.3 -37.9 -12.9 85 85 A I E -bd 5 113A 3 27,-2.6 29,-3.2 -2,-0.4 2,-0.5 -0.952 10.2-156.7-116.3 137.8 -13.1 -39.1 -11.3 86 86 A V E + d 0 114A 8 -81,-2.7 2,-0.4 -2,-0.4 29,-0.2 -0.984 17.4 176.4-118.6 123.1 -9.7 -38.4 -12.9 87 87 A K E - d 0 115A 43 27,-2.5 29,-2.0 -2,-0.5 2,-0.2 -0.961 23.1-124.9-128.8 143.4 -6.8 -40.7 -12.0 88 88 A G E - d 0 116A 27 -2,-0.4 2,-0.4 27,-0.2 29,-0.2 -0.524 12.1-147.2 -86.3 150.2 -3.2 -40.8 -13.1 89 89 A L E + d 0 117A 45 27,-2.4 29,-2.7 -2,-0.2 2,-0.3 -0.955 29.3 156.1-110.1 135.9 -1.4 -43.8 -14.6 90 90 A R > - 0 0 85 -2,-0.4 3,-1.9 27,-0.2 2,-0.4 -0.861 53.3 -61.8-144.2-178.9 2.3 -44.2 -13.9 91 91 A T T 3 S+ 0 0 97 32,-3.1 3,-0.1 -2,-0.3 -2,-0.0 -0.567 125.4 23.2 -69.8 124.1 4.9 -47.0 -13.8 92 92 A G T 3 S+ 0 0 60 -2,-0.4 -1,-0.3 1,-0.3 2,-0.1 0.328 84.0 146.2 100.4 -7.2 3.8 -49.4 -11.1 93 93 A T < - 0 0 32 -3,-1.9 2,-1.7 1,-0.1 -1,-0.3 -0.408 54.2-129.7 -58.0 134.8 0.1 -48.5 -11.2 94 94 A D > + 0 0 94 1,-0.2 4,-2.1 -3,-0.1 5,-0.2 -0.663 37.7 173.3 -82.8 82.6 -2.1 -51.5 -10.5 95 95 A F H > + 0 0 70 -2,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.839 69.7 58.0 -68.8 -32.2 -4.2 -50.8 -13.5 96 96 A E H > S+ 0 0 145 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 110.3 45.0 -62.3 -41.2 -6.3 -54.0 -13.3 97 97 A Y H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.901 111.7 52.1 -69.2 -37.6 -7.3 -53.0 -9.8 98 98 A E H X S+ 0 0 36 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.891 110.8 48.6 -64.0 -40.3 -8.0 -49.4 -11.0 99 99 A L H X S+ 0 0 73 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.901 109.4 52.0 -64.2 -42.5 -10.2 -50.8 -13.8 100 100 A Q H X S+ 0 0 123 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.943 112.7 45.2 -59.1 -48.6 -12.0 -53.1 -11.4 101 101 A M H X S+ 0 0 52 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.889 110.8 54.0 -62.5 -39.6 -12.8 -50.1 -9.1 102 102 A A H X S+ 0 0 12 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.927 110.5 45.7 -61.5 -43.3 -13.8 -48.0 -12.1 103 103 A Q H X S+ 0 0 139 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.894 115.0 48.2 -68.4 -37.9 -16.3 -50.6 -13.3 104 104 A M H X S+ 0 0 102 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.898 110.8 50.7 -65.2 -43.2 -17.6 -51.0 -9.7 105 105 A N H X S+ 0 0 26 -4,-3.0 4,-1.6 1,-0.2 6,-1.2 0.859 111.0 48.8 -63.4 -38.1 -17.9 -47.2 -9.2 106 106 A K H X S+ 0 0 87 -4,-2.1 4,-1.8 4,-0.2 -1,-0.2 0.911 112.1 50.5 -63.4 -45.3 -19.8 -46.9 -12.5 107 107 A H H < S+ 0 0 156 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.912 116.7 37.0 -60.6 -45.9 -22.1 -49.8 -11.4 108 108 A I H < S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.756 138.1 7.8 -85.1 -23.6 -23.0 -48.4 -8.0 109 109 A A H < S- 0 0 23 -4,-1.6 -3,-0.2 -5,-0.2 -2,-0.2 0.411 90.7-114.4-140.3 -1.7 -23.2 -44.7 -8.7 110 110 A G < + 0 0 34 -4,-1.8 2,-0.4 -5,-0.4 -4,-0.2 0.660 63.0 151.7 70.4 16.7 -23.0 -44.0 -12.4 111 111 A V - 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