==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 26-OCT-11 3UC5 . 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) . 8770.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 107 68.2 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 . 7 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 35.7 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 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 0 0 1 2 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 0 175 0, 0.0 2,-0.1 0, 0.0 27,-0.0 0.000 360.0 360.0 360.0 146.7 33.7 4.2 14.2 2 2 A T - 0 0 58 25,-0.1 28,-1.1 81,-0.1 2,-0.3 -0.396 360.0-170.4 -78.5 157.5 35.4 0.8 14.4 3 3 A G E -a 30 0A 0 26,-0.2 80,-3.1 25,-0.1 81,-1.8 -0.969 9.1-156.1-153.4 132.9 35.4 -1.6 11.5 4 4 A A E -ab 31 84A 0 26,-2.4 28,-2.6 -2,-0.3 2,-0.5 -0.918 5.5-152.8-112.8 135.6 36.4 -5.2 11.2 5 5 A V E -ab 32 85A 0 79,-2.3 81,-3.0 -2,-0.4 28,-0.2 -0.901 3.7-163.6-100.0 134.0 37.4 -7.0 8.0 6 6 A C E -a 33 0A 3 26,-2.6 28,-1.1 -2,-0.5 2,-0.2 -0.868 17.3-168.6-116.2 93.2 36.8 -10.7 7.8 7 7 A P E +a 34 0A 16 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.480 23.8 121.4 -83.7 152.2 38.9 -11.9 4.9 8 8 A G E -a 35 0A 23 26,-1.8 28,-2.6 -2,-0.2 -2,-0.0 -0.950 65.5-104.5 174.2 174.9 38.6 -15.4 3.4 9 9 A S - 0 0 61 -2,-0.3 4,-0.1 26,-0.2 -1,-0.1 0.773 38.5-164.9 -89.0 -26.6 38.0 -17.4 0.3 10 10 A F > + 0 0 9 2,-0.2 3,-0.8 1,-0.2 44,-0.1 0.904 12.2 178.8 40.5 63.1 34.4 -18.4 1.3 11 11 A D T 3 S- 0 0 6 1,-0.8 33,-0.3 33,-0.0 -1,-0.2 -0.630 87.8 -6.6-128.3 72.1 34.2 -21.1 -1.3 12 12 A P T 3 S- 0 0 1 0, 0.0 -1,-0.8 0, 0.0 -2,-0.2 0.611 93.8-123.6-100.7 173.5 31.6 -21.6 -0.2 13 13 A V < - 0 0 0 -3,-0.8 2,-0.2 37,-0.2 135,-0.1 -0.382 33.5-158.5 -60.8 140.3 30.6 -19.7 3.0 14 14 A T > - 0 0 2 130,-0.2 4,-2.0 111,-0.1 130,-0.2 -0.666 33.8-101.4-116.6 175.2 29.6 -22.1 5.8 15 15 A L H > S+ 0 0 42 128,-2.5 4,-2.1 1,-0.2 129,-0.1 0.797 123.3 60.1 -67.6 -27.1 27.6 -21.8 9.0 16 16 A G H > S+ 0 0 14 127,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.918 106.3 46.8 -60.6 -45.9 30.9 -21.5 10.9 17 17 A H H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.913 110.6 50.7 -60.3 -47.0 31.7 -18.4 8.8 18 18 A V H X S+ 0 0 8 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.891 106.2 57.0 -62.2 -38.3 28.3 -16.8 9.4 19 19 A D H X S+ 0 0 20 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.913 108.2 46.7 -56.8 -45.3 28.8 -17.5 13.1 20 20 A I H X S+ 0 0 17 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.924 110.7 52.3 -63.5 -44.2 32.0 -15.4 13.0 21 21 A F H X S+ 0 0 3 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.920 109.6 49.9 -55.8 -45.3 30.3 -12.7 11.0 22 22 A E H X S+ 0 0 75 -4,-2.7 4,-1.3 1,-0.2 -1,-0.2 0.914 111.9 47.2 -62.4 -42.0 27.5 -12.5 13.6 23 23 A R H < S+ 0 0 86 -4,-2.0 4,-0.4 1,-0.2 -1,-0.2 0.883 114.3 46.2 -73.0 -34.8 30.0 -12.2 16.4 24 24 A A H >X S+ 0 0 3 -4,-2.8 4,-2.6 1,-0.2 3,-1.7 0.930 110.0 54.4 -66.4 -44.0 32.1 -9.6 14.7 25 25 A A H 3< S+ 0 0 10 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.770 104.4 55.4 -63.9 -25.2 29.0 -7.6 13.7 26 26 A A T 3< S+ 0 0 81 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.642 117.2 35.1 -80.3 -14.4 27.9 -7.5 17.4 27 27 A Q T <4 S+ 0 0 154 -3,-1.7 2,-0.3 -4,-0.4 -2,-0.2 0.703 111.7 57.2-113.2 -28.4 31.2 -6.0 18.5 28 28 A F S < S- 0 0 35 -4,-2.6 -25,-0.1 1,-0.1 3,-0.1 -0.813 76.4-126.2-110.6 149.3 32.2 -3.6 15.6 29 29 A D S S+ 0 0 93 -2,-0.3 2,-0.3 1,-0.2 -26,-0.2 0.906 96.3 7.4 -58.1 -45.2 30.3 -0.7 14.1 30 30 A E E -a 3 0A 38 -28,-1.1 -26,-2.4 -6,-0.0 2,-0.4 -0.983 65.4-156.2-137.1 156.0 30.7 -2.2 10.7 31 31 A V E -ac 4 64A 1 32,-2.4 34,-2.1 -2,-0.3 2,-0.5 -0.979 2.9-163.5-127.1 139.0 32.0 -5.4 9.2 32 32 A V E -ac 5 65A 0 -28,-2.6 -26,-2.6 -2,-0.4 2,-0.8 -0.982 10.9-150.1-122.6 117.7 33.3 -6.1 5.7 33 33 A V E -ac 6 66A 0 32,-2.5 34,-2.7 -2,-0.5 2,-0.7 -0.800 17.9-158.2 -81.7 113.9 33.6 -9.6 4.4 34 34 A A E -ac 7 67A 2 -28,-1.1 -26,-1.8 -2,-0.8 2,-0.7 -0.862 2.5-151.2-101.2 113.3 36.5 -9.5 2.0 35 35 A I E -ac 8 68A 0 32,-2.7 34,-2.9 -2,-0.7 2,-0.6 -0.745 11.6-170.9 -87.0 115.9 36.5 -12.3 -0.5 36 36 A L - 0 0 53 -28,-2.6 2,-0.6 -2,-0.7 34,-0.1 -0.926 8.5-155.4-107.2 111.5 40.0 -13.2 -1.7 37 37 A V - 0 0 75 -2,-0.6 -28,-0.1 32,-0.4 4,-0.1 -0.780 21.6-123.7 -88.5 120.9 40.1 -15.6 -4.6 38 38 A N - 0 0 108 -2,-0.6 -1,-0.0 1,-0.1 -2,-0.0 -0.378 21.1-115.1 -66.2 137.9 43.4 -17.6 -4.7 39 39 A P S S+ 0 0 126 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.754 94.9 89.2 -43.7 -40.1 45.4 -17.3 -8.0 40 40 A A S S- 0 0 62 1,-0.2 -2,-0.1 2,-0.1 0, 0.0 -0.516 78.4-140.5 -67.8 118.7 44.9 -21.0 -8.8 41 41 A K S S+ 0 0 191 -2,-0.4 2,-1.9 1,-0.1 -1,-0.2 0.539 72.3 109.2 -61.0 -6.6 41.7 -21.2 -10.8 42 42 A T + 0 0 136 2,-0.0 2,-0.3 0, 0.0 -1,-0.1 -0.514 43.5 119.3 -79.1 82.1 40.7 -24.4 -9.0 43 43 A G - 0 0 29 -2,-1.9 3,-0.0 1,-0.1 -6,-0.0 -0.971 63.2-128.4-137.6 153.2 37.8 -23.3 -6.8 44 44 A M S S+ 0 0 26 -2,-0.3 2,-0.4 -33,-0.3 -1,-0.1 0.973 88.8 37.1 -68.5 -54.7 34.2 -24.5 -6.8 45 45 A F S S- 0 0 4 1,-0.1 -1,-0.1 2,-0.0 5,-0.0 -0.798 80.9-122.6-106.4 140.7 32.3 -21.2 -7.1 46 46 A D > - 0 0 87 -2,-0.4 4,-2.5 1,-0.1 3,-0.3 -0.232 39.2 -94.5 -72.0 167.6 33.3 -18.1 -9.1 47 47 A L H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.891 124.3 49.7 -51.8 -48.4 33.7 -14.7 -7.4 48 48 A D H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 110.4 50.2 -63.7 -38.0 30.1 -13.6 -8.2 49 49 A E H > S+ 0 0 49 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.927 111.4 49.5 -61.3 -45.3 28.7 -16.8 -6.8 50 50 A R H X S+ 0 0 16 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.939 111.4 48.7 -60.5 -48.1 30.8 -16.4 -3.6 51 51 A I H X S+ 0 0 32 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.923 112.2 48.4 -55.3 -50.3 29.7 -12.8 -3.2 52 52 A A H X S+ 0 0 27 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.876 108.6 53.3 -62.0 -40.1 26.0 -13.6 -3.6 53 53 A M H X S+ 0 0 0 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.907 111.7 45.4 -65.0 -39.8 26.1 -16.5 -1.2 54 54 A V H X S+ 0 0 0 -4,-2.0 4,-0.5 2,-0.2 3,-0.3 0.938 114.0 48.4 -68.6 -47.0 27.6 -14.4 1.6 55 55 A K H >< S+ 0 0 115 -4,-2.5 3,-1.5 1,-0.2 -2,-0.2 0.953 113.1 47.5 -55.3 -51.0 25.1 -11.5 0.9 56 56 A E H 3< S+ 0 0 73 -4,-2.8 3,-0.4 1,-0.3 -1,-0.2 0.738 112.2 50.9 -64.3 -23.4 22.1 -13.9 0.9 57 57 A S H 3< S+ 0 0 11 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.439 111.7 46.7 -93.9 -2.1 23.4 -15.5 4.1 58 58 A T X< + 0 0 10 -3,-1.5 3,-2.0 -4,-0.5 6,-0.2 0.036 64.5 120.9-130.7 25.6 23.8 -12.3 6.1 59 59 A T T 3 S+ 0 0 119 -3,-0.4 -1,-0.1 1,-0.3 -2,-0.1 0.704 74.3 62.9 -64.2 -18.3 20.6 -10.3 5.4 60 60 A H T 3 S+ 0 0 96 1,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.411 89.3 75.0 -87.0 1.5 20.1 -10.3 9.2 61 61 A L X + 0 0 23 -3,-2.0 3,-1.8 1,-0.1 -1,-0.2 -0.785 57.8 179.2-116.7 87.9 23.3 -8.3 9.7 62 62 A P T 3 S+ 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.705 79.2 56.1 -64.0 -22.8 22.5 -4.7 8.7 63 63 A N T 3 S+ 0 0 51 -35,-0.1 -32,-2.4 -33,-0.1 2,-0.4 0.176 92.5 89.4 -96.5 17.4 26.0 -3.5 9.5 64 64 A L E < -c 31 0A 20 -3,-1.8 2,-0.3 -6,-0.2 -32,-0.2 -0.908 50.0-179.9-115.6 140.3 27.8 -6.0 7.3 65 65 A R E -c 32 0A 96 -34,-2.1 -32,-2.5 -2,-0.4 2,-0.4 -0.954 20.4-131.0-133.9 158.8 28.7 -5.6 3.6 66 66 A V E +c 33 0A 22 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.921 29.4 165.7-114.8 133.8 30.5 -7.8 1.2 67 67 A Q E -c 34 0A 73 -34,-2.7 -32,-2.7 -2,-0.4 2,-0.4 -0.960 37.2-110.3-141.6 155.7 33.4 -6.8 -1.1 68 68 A V E -c 35 0A 24 -2,-0.3 2,-0.3 -34,-0.2 -32,-0.2 -0.736 35.7-138.7 -84.7 136.3 36.0 -8.4 -3.2 69 69 A G - 0 0 8 -34,-2.9 -32,-0.4 -2,-0.4 2,-0.4 -0.698 17.1-171.3 -95.5 148.4 39.6 -8.1 -1.8 70 70 A H - 0 0 150 -2,-0.3 6,-0.1 2,-0.2 5,-0.1 -0.994 53.6 -20.6-136.0 131.9 42.7 -7.4 -3.8 71 71 A G S S+ 0 0 67 -2,-0.4 2,-0.1 4,-0.1 5,-0.0 -0.311 112.0 8.8 75.6-154.3 46.3 -7.5 -2.5 72 72 A L >> - 0 0 88 1,-0.1 4,-1.7 -3,-0.0 3,-0.6 -0.339 59.3-138.2 -66.6 136.2 47.2 -7.4 1.1 73 73 A V H 3> S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 105.4 59.6 -55.0 -41.6 44.4 -7.5 3.7 74 74 A V H 3> S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.818 103.0 50.7 -62.2 -30.3 46.3 -4.8 5.6 75 75 A D H <> S+ 0 0 66 -3,-0.6 4,-2.7 2,-0.2 5,-0.5 0.881 109.1 51.2 -71.6 -37.8 46.0 -2.4 2.7 76 76 A F H X S+ 0 0 17 -4,-1.7 4,-2.1 1,-0.2 6,-0.3 0.939 111.7 48.8 -62.1 -44.1 42.3 -3.2 2.4 77 77 A V H <>S+ 0 0 3 -4,-2.7 5,-2.2 1,-0.2 4,-0.2 0.941 117.7 38.2 -60.0 -49.8 42.0 -2.4 6.1 78 78 A R H <5S+ 0 0 127 -4,-2.3 3,-0.4 3,-0.2 -2,-0.2 0.892 123.3 38.4 -73.4 -41.4 43.9 0.9 6.0 79 79 A S H <5S+ 0 0 102 -4,-2.7 -3,-0.2 1,-0.2 -2,-0.2 0.884 115.6 50.5 -76.5 -39.2 42.6 2.3 2.7 80 80 A C T <5S- 0 0 48 -4,-2.1 -1,-0.2 -5,-0.5 -2,-0.2 0.208 116.5-102.6 -96.9 14.5 39.0 1.2 2.9 81 81 A G T 5S+ 0 0 49 -3,-0.4 -3,-0.2 -4,-0.2 2,-0.2 0.719 72.2 133.1 82.4 25.9 38.4 2.6 6.4 82 82 A M < - 0 0 14 -5,-2.2 -1,-0.2 -6,-0.3 -78,-0.2 -0.465 42.4-154.5 -96.9 175.4 38.5 -0.4 8.8 83 83 A T + 0 0 71 -80,-3.1 29,-0.5 1,-0.3 2,-0.3 0.511 67.6 10.4-124.9 -14.1 40.3 -0.7 12.1 84 84 A A E -bd 4 112A 2 -81,-1.8 -79,-2.3 27,-0.1 2,-0.4 -0.985 61.4-117.5-161.5 163.1 41.0 -4.4 12.6 85 85 A I E -bd 5 113A 2 27,-2.2 29,-3.0 -2,-0.3 2,-0.4 -0.916 24.6-161.1-108.2 137.9 41.0 -7.9 11.1 86 86 A V E + d 0 114A 4 -81,-3.0 2,-0.3 -2,-0.4 29,-0.2 -0.985 15.4 167.8-122.3 130.6 38.7 -10.6 12.6 87 87 A K E - d 0 115A 30 27,-2.0 29,-2.1 -2,-0.4 2,-0.3 -0.964 27.6-124.0-136.9 152.9 39.3 -14.3 12.0 88 88 A G E - d 0 116A 25 -2,-0.3 2,-0.4 27,-0.2 29,-0.2 -0.672 15.3-152.6 -96.9 154.1 38.0 -17.5 13.4 89 89 A L E + d 0 117A 32 27,-2.4 29,-2.5 -2,-0.3 3,-0.1 -0.995 24.2 160.8-124.7 125.8 40.0 -20.3 15.0 90 90 A R + 0 0 105 -2,-0.4 2,-0.2 1,-0.2 -1,-0.1 0.761 65.7 14.6 -99.6 -45.6 38.8 -24.0 15.0 91 91 A T S > S- 0 0 69 1,-0.1 4,-2.4 26,-0.0 -1,-0.2 -0.688 77.9 -97.9-131.1 170.8 42.1 -25.9 15.6 92 92 A G H > S+ 0 0 55 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.829 122.9 55.9 -56.7 -34.8 45.7 -25.7 16.7 93 93 A T H > S+ 0 0 109 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.913 107.1 47.7 -66.1 -43.0 46.6 -25.7 13.0 94 94 A D H > S+ 0 0 19 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.921 111.0 53.7 -60.5 -43.5 44.4 -22.6 12.4 95 95 A F H X S+ 0 0 105 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.947 109.8 45.0 -60.7 -48.0 46.0 -21.0 15.4 96 96 A E H X S+ 0 0 150 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.947 117.3 44.8 -61.9 -48.4 49.6 -21.5 14.2 97 97 A Y H X S+ 0 0 124 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.935 117.6 43.4 -58.3 -49.3 48.8 -20.3 10.7 98 98 A E H X S+ 0 0 20 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.843 109.2 57.1 -71.8 -34.1 46.8 -17.3 11.9 99 99 A L H X S+ 0 0 53 -4,-2.8 4,-2.3 -5,-0.3 -1,-0.2 0.924 108.5 47.7 -58.4 -46.3 49.3 -16.3 14.6 100 100 A Q H X S+ 0 0 130 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.925 114.1 45.7 -61.1 -46.7 52.0 -16.1 11.9 101 101 A M H X S+ 0 0 51 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.893 111.8 52.0 -68.4 -37.7 49.9 -14.0 9.6 102 102 A A H X S+ 0 0 16 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.909 111.6 46.1 -64.1 -42.2 48.7 -11.7 12.4 103 103 A Q H X S+ 0 0 120 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 113.7 49.1 -68.4 -39.9 52.3 -11.0 13.5 104 104 A M H X S+ 0 0 109 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.921 112.2 49.0 -61.8 -42.6 53.3 -10.4 10.0 105 105 A N H X S+ 0 0 23 -4,-2.7 4,-1.5 1,-0.2 6,-1.1 0.869 110.8 48.8 -67.4 -37.1 50.4 -8.1 9.5 106 106 A K H X S+ 0 0 103 -4,-2.4 4,-1.7 4,-0.2 -1,-0.2 0.891 112.6 50.9 -66.3 -38.4 51.1 -6.1 12.6 107 107 A H H < S+ 0 0 155 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.932 115.2 38.8 -65.7 -46.7 54.8 -5.9 11.5 108 108 A I H < S+ 0 0 73 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.736 138.9 5.1 -80.4 -20.1 54.1 -4.6 8.0 109 109 A A H < S- 0 0 22 -4,-1.5 -3,-0.2 -5,-0.2 -2,-0.2 0.453 88.5-114.6-146.4 -5.4 51.2 -2.2 8.7 110 110 A G < + 0 0 43 -4,-1.7 2,-0.4 -5,-0.4 -4,-0.2 0.631 64.0 149.1 73.8 13.7 50.4 -1.9 12.5 111 111 A V - 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