==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 24-FEB-05 2BL1 . COMPND 2 MOLECULE: PUTATIVE PHOSPHINOTHRICIN N-ACETYLTRANSFERASE . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.M.DAVIES,R.TATA,R.AGHA,B.J.SUTTON,P.R.BROWN . 170 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9650.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 21.8 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 . 1 0.6 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 . 7 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 44 25.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.8 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 0 0 1 0 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 3 A A 0 0 72 0, 0.0 2,-0.3 0, 0.0 57,-0.2 0.000 360.0 360.0 360.0 145.1 40.7 6.8 40.5 2 4 A S E -A 57 0A 66 55,-2.1 55,-2.5 2,-0.0 2,-0.4 -0.667 360.0-153.7 -92.1 150.1 43.1 7.5 43.3 3 5 A I E +A 56 0A 50 -2,-0.3 2,-0.3 53,-0.2 53,-0.2 -0.990 28.4 137.3-127.3 129.5 42.0 9.5 46.4 4 6 A R E -A 55 0A 86 51,-1.6 51,-2.5 -2,-0.4 100,-0.0 -0.982 54.9 -60.8-161.2 167.8 44.2 11.5 48.6 5 7 A D E -A 54 0A 81 -2,-0.3 49,-0.2 49,-0.2 2,-0.1 -0.176 59.0-109.7 -54.4 146.0 44.5 14.8 50.5 6 8 A A - 0 0 15 47,-2.4 2,-0.2 37,-0.0 -1,-0.1 -0.436 27.0-152.1 -78.2 152.2 44.4 18.0 48.4 7 9 A G > - 0 0 28 -2,-0.1 3,-1.7 1,-0.1 4,-0.3 -0.719 35.0-100.4-115.5 169.4 47.4 20.2 47.8 8 10 A V G > S+ 0 0 89 1,-0.3 3,-1.6 -2,-0.2 -1,-0.1 0.856 121.7 63.4 -60.6 -31.4 47.4 23.9 47.1 9 11 A A G 3 S+ 0 0 86 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.683 95.3 60.3 -66.1 -16.9 47.9 23.1 43.4 10 12 A D G <> S+ 0 0 17 -3,-1.7 4,-2.1 1,-0.2 3,-0.3 0.557 81.3 89.9 -86.0 -7.2 44.5 21.4 43.4 11 13 A L H <> S+ 0 0 2 -3,-1.6 4,-2.7 -4,-0.3 5,-0.2 0.854 81.5 51.3 -65.2 -36.1 42.6 24.5 44.4 12 14 A P H > S+ 0 0 71 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.902 112.1 48.2 -70.7 -28.0 41.9 25.9 41.0 13 15 A G H > S+ 0 0 28 -3,-0.3 4,-1.6 -4,-0.3 -2,-0.2 0.883 113.0 48.2 -70.9 -37.8 40.4 22.6 39.9 14 16 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.907 108.4 55.2 -67.4 -40.8 38.3 22.5 43.1 15 17 A L H X S+ 0 0 31 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.909 105.7 51.7 -57.0 -48.0 37.2 26.1 42.5 16 18 A A H X S+ 0 0 61 -4,-1.8 4,-1.4 1,-0.2 -1,-0.2 0.913 110.9 47.1 -56.5 -48.7 35.9 25.3 39.0 17 19 A I H X S+ 0 0 8 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.895 114.3 48.6 -61.2 -42.9 33.8 22.4 40.3 18 20 A Y H X S+ 0 0 19 -4,-2.3 4,-2.1 2,-0.2 3,-0.2 0.940 109.6 46.7 -64.9 -54.7 32.4 24.4 43.2 19 21 A N H X S+ 0 0 41 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.857 112.1 55.8 -58.1 -32.9 31.3 27.6 41.4 20 22 A D H X S+ 0 0 75 -4,-1.4 4,-1.0 -5,-0.3 3,-0.3 0.888 105.5 50.1 -65.8 -42.6 29.7 25.2 38.9 21 23 A A H >X S+ 0 0 9 -4,-1.6 4,-1.8 1,-0.2 3,-0.6 0.929 106.8 54.5 -65.0 -44.6 27.7 23.5 41.5 22 24 A V H 3< S+ 0 0 1 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.713 112.2 41.6 -66.7 -21.3 26.3 26.7 43.1 23 25 A G H 3< S+ 0 0 37 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.605 126.6 26.2-101.5 -10.4 24.8 28.1 39.8 24 26 A N H << S+ 0 0 134 -4,-1.0 2,-0.3 -3,-0.6 -2,-0.2 0.431 111.5 54.3-132.6 0.9 23.3 25.0 38.3 25 27 A T < - 0 0 44 -4,-1.8 3,-0.1 3,-0.2 -4,-0.0 -0.818 60.0-137.8-134.6 173.2 22.5 22.5 41.0 26 28 A T S S+ 0 0 27 -2,-0.3 96,-0.2 1,-0.1 3,-0.1 0.163 87.4 94.3-109.2 9.2 20.6 22.0 44.3 27 29 A A S S+ 0 0 67 -6,-0.3 2,-0.4 1,-0.2 -1,-0.1 0.838 92.0 34.7 -69.5 -34.4 23.6 20.1 45.6 28 30 A I S S- 0 0 19 -7,-0.4 2,-0.5 2,-0.1 -1,-0.2 -0.988 76.0-146.8-123.1 127.5 24.9 23.3 47.2 29 31 A W + 0 0 79 -2,-0.4 2,-0.3 -3,-0.1 119,-0.1 -0.179 68.4 95.8 -92.6 46.3 22.5 25.8 48.6 30 32 A N - 0 0 82 -2,-0.5 -2,-0.1 1,-0.1 119,-0.0 -0.916 49.5-169.2-124.9 149.6 24.5 28.9 47.8 31 33 A E + 0 0 74 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.522 61.4 88.6-117.4 -11.1 24.0 31.0 44.7 32 34 A T S S- 0 0 110 1,-0.0 2,-0.1 -9,-0.0 -10,-0.1 -0.768 70.8-133.9 -95.8 129.5 27.1 33.2 44.9 33 35 A P - 0 0 83 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.427 19.9-148.6 -76.8 155.4 30.4 32.1 43.3 34 36 A V - 0 0 34 -19,-0.2 2,-0.2 -2,-0.1 -15,-0.1 -0.652 7.8-123.8-117.0 172.9 33.6 32.5 45.2 35 37 A D > - 0 0 99 -2,-0.2 4,-1.4 1,-0.0 3,-0.4 -0.568 33.8 -93.2-111.8 179.4 37.2 33.2 44.1 36 38 A L H > S+ 0 0 81 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.867 121.6 57.7 -60.2 -40.7 40.6 31.4 44.7 37 39 A A H > S+ 0 0 70 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.867 104.1 55.4 -58.1 -36.6 41.5 33.4 47.8 38 40 A N H > S+ 0 0 65 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.907 109.6 44.0 -62.9 -44.7 38.2 32.1 49.3 39 41 A R H X S+ 0 0 25 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.804 109.7 56.8 -71.8 -30.6 39.1 28.5 48.7 40 42 A Q H X S+ 0 0 61 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.869 108.3 47.7 -67.2 -36.5 42.7 29.0 50.0 41 43 A A H X S+ 0 0 55 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.895 112.3 48.7 -68.9 -41.2 41.3 30.3 53.3 42 44 A W H X S+ 0 0 35 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.884 109.6 54.1 -63.9 -40.1 38.9 27.3 53.4 43 45 A F H X S+ 0 0 38 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.901 112.1 43.1 -61.1 -44.4 41.9 25.0 52.7 44 46 A D H X S+ 0 0 64 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.887 111.2 54.1 -72.4 -39.5 43.9 26.5 55.6 45 47 A A H X S+ 0 0 30 -4,-2.4 4,-1.3 1,-0.2 3,-0.3 0.920 107.1 50.6 -60.9 -46.4 41.0 26.5 58.0 46 48 A R H X>S+ 0 0 53 -4,-2.2 5,-2.0 1,-0.2 4,-0.9 0.881 107.7 56.3 -58.8 -36.5 40.3 22.8 57.4 47 49 A A H <5S+ 0 0 69 -4,-1.2 3,-0.3 1,-0.2 -1,-0.2 0.860 105.6 48.8 -63.4 -39.4 44.1 22.2 58.1 48 50 A R H <5S+ 0 0 190 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.744 112.9 48.8 -72.8 -24.8 43.9 23.9 61.6 49 51 A Q H <5S- 0 0 85 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.583 110.0-122.9 -89.2 -13.9 40.9 21.8 62.5 50 52 A G T <5 + 0 0 39 -4,-0.9 -3,-0.2 1,-0.3 -4,-0.1 0.621 63.2 144.2 79.9 12.8 42.5 18.6 61.3 51 53 A Y < - 0 0 33 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.684 46.3-121.6 -87.1 138.0 39.6 18.0 58.9 52 54 A P - 0 0 10 0, 0.0 17,-0.9 0, 0.0 2,-0.4 -0.396 15.4-161.1 -82.3 154.9 40.4 16.4 55.5 53 55 A I E - B 0 68A 11 15,-0.2 -47,-2.4 -2,-0.1 2,-0.3 -0.958 22.2-161.5-131.2 107.3 39.9 17.6 52.0 54 56 A L E -AB 5 67A 0 13,-3.1 13,-2.4 -2,-0.4 2,-0.4 -0.734 6.8-160.2-100.0 146.4 40.0 14.7 49.6 55 57 A V E -AB 4 66A 0 -51,-2.5 -51,-1.6 -2,-0.3 2,-0.5 -0.979 9.5-145.4-126.9 130.4 40.6 14.8 45.8 56 58 A A E +AB 3 65A 0 9,-2.8 8,-2.8 -2,-0.4 9,-0.9 -0.836 40.2 139.4 -94.7 128.6 39.8 12.1 43.2 57 59 A S E -A 2 0A 4 -55,-2.5 -55,-2.1 -2,-0.5 2,-0.2 -0.789 30.7-153.7-149.1-169.3 42.3 11.9 40.4 58 60 A D > - 0 0 81 4,-0.3 3,-1.8 -2,-0.2 6,-0.0 -0.824 55.9 -50.8-155.4-164.7 44.2 9.7 38.0 59 61 A A T 3 S+ 0 0 112 1,-0.3 -2,-0.0 -2,-0.2 0, 0.0 0.840 129.3 57.9 -48.6 -42.9 47.4 9.6 35.9 60 62 A A T 3 S- 0 0 79 1,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.759 102.6-136.1 -61.8 -27.1 46.6 12.9 34.3 61 63 A G < + 0 0 40 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.610 52.4 139.3 82.6 12.4 46.5 14.5 37.7 62 64 A E - 0 0 107 1,-0.1 2,-0.9 -49,-0.0 -4,-0.3 -0.577 63.0-102.6 -89.3 154.2 43.3 16.6 37.2 63 65 A V + 0 0 9 -2,-0.2 -6,-0.2 1,-0.2 3,-0.1 -0.648 41.2 171.3 -78.0 106.9 40.7 17.1 39.9 64 66 A L - 0 0 10 -8,-2.8 25,-2.5 -2,-0.9 2,-0.3 0.594 69.2 -22.3 -90.7 -12.8 37.8 14.7 38.9 65 67 A G E -BC 56 88A 0 -9,-0.9 -9,-2.8 23,-0.3 -1,-0.3 -0.923 60.8-153.3 177.1 162.1 36.0 15.3 42.1 66 68 A Y E -BC 55 87A 2 21,-2.5 21,-2.8 -2,-0.3 2,-0.3 -0.981 7.7-176.5-150.2 160.8 36.5 16.4 45.8 67 69 A A E +BC 54 86A 0 -13,-2.4 -13,-3.1 -2,-0.3 2,-0.3 -0.988 7.3 161.0-155.5 158.3 35.0 15.9 49.2 68 70 A S E -BC 53 85A 2 17,-1.9 17,-1.9 -2,-0.3 2,-0.3 -0.964 19.6-142.0-165.8 173.1 35.5 17.1 52.8 69 71 A Y E + C 0 84A 2 -17,-0.9 2,-0.2 -2,-0.3 15,-0.2 -0.982 20.8 160.4-147.0 155.2 33.8 17.4 56.2 70 72 A G E - C 0 83A 4 13,-1.8 13,-2.4 -2,-0.3 -24,-0.0 -0.830 51.4 -24.9-153.9-168.2 33.7 19.9 59.0 71 73 A D E - C 0 82A 81 -2,-0.2 11,-0.2 11,-0.2 -1,-0.1 -0.180 40.1-160.8 -51.6 137.0 31.7 21.0 62.0 72 74 A W S S+ 0 0 78 9,-0.9 -1,-0.1 1,-0.4 10,-0.1 0.916 83.0 6.0 -82.6 -50.1 28.0 20.1 61.9 73 75 A R S S- 0 0 111 8,-0.3 2,-1.9 5,-0.2 -1,-0.4 -0.996 81.0-116.2-135.1 138.9 27.1 22.7 64.5 74 76 A P S S+ 0 0 105 0, 0.0 2,-0.3 0, 0.0 3,-0.0 -0.399 76.5 96.3 -76.3 64.8 29.3 25.3 66.1 75 77 A F S > S- 0 0 116 -2,-1.9 3,-1.7 1,-0.1 -2,-0.2 -0.983 78.2-118.7-147.9 151.0 29.4 24.2 69.8 76 78 A E G > S+ 0 0 164 -2,-0.3 3,-1.5 1,-0.3 4,-0.1 0.809 108.3 68.4 -60.1 -31.8 31.7 22.2 71.9 77 79 A G G 3 S+ 0 0 68 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.576 96.6 53.4 -66.9 -9.1 29.0 19.6 72.6 78 80 A F G X + 0 0 60 -3,-1.7 3,-2.4 -5,-0.2 -6,-0.3 0.191 68.7 115.5-110.1 16.0 29.0 18.5 68.9 79 81 A R T < S+ 0 0 187 -3,-1.5 -1,-0.1 1,-0.3 -2,-0.1 0.582 72.3 59.3 -62.8 -9.6 32.7 17.7 68.6 80 82 A G T 3 S+ 0 0 28 -3,-0.2 36,-2.2 34,-0.1 35,-2.2 0.472 100.6 70.9 -95.7 -1.8 31.9 14.0 68.0 81 83 A T E < + d 0 116A 25 -3,-2.4 -9,-0.9 34,-0.2 -8,-0.3 -0.940 56.5 176.1-121.7 136.0 29.8 14.9 65.0 82 84 A V E -Cd 71 117A 0 34,-2.2 36,-3.1 -2,-0.4 2,-0.4 -0.893 19.8-139.2-131.4 160.7 30.8 16.2 61.5 83 85 A E E -Cd 70 118A 64 -13,-2.4 -13,-1.8 -2,-0.3 36,-0.2 -0.983 20.8-152.6-122.2 135.4 28.9 16.9 58.2 84 86 A H E -C 69 0A 20 34,-1.7 36,-0.4 -2,-0.4 2,-0.3 -0.531 10.9-166.2-104.9 170.3 30.2 16.0 54.8 85 87 A S E -C 68 0A 43 -17,-1.9 -17,-1.9 -2,-0.2 2,-0.4 -0.963 5.7-167.9-152.8 137.3 29.9 17.3 51.2 86 88 A V E -C 67 0A 41 -2,-0.3 2,-0.4 -19,-0.2 -19,-0.2 -0.995 2.7-173.9-131.4 135.7 31.0 15.6 47.9 87 89 A Y E -C 66 0A 30 -21,-2.8 -21,-2.5 -2,-0.4 2,-0.4 -0.994 6.1-162.1-135.5 130.2 31.2 17.0 44.4 88 90 A V E -C 65 0A 21 -2,-0.4 -23,-0.3 -23,-0.2 5,-0.1 -0.885 32.0-107.2-109.5 138.8 32.0 15.3 41.1 89 91 A R > - 0 0 65 -25,-2.5 3,-2.2 -2,-0.4 4,-0.1 -0.393 33.2-117.8 -64.1 141.0 33.1 17.1 38.0 90 92 A D T 3 S+ 0 0 96 1,-0.3 3,-0.5 2,-0.2 -1,-0.1 0.647 112.0 50.2 -55.6 -25.2 30.3 17.3 35.4 91 93 A D T 3 S+ 0 0 95 1,-0.2 -1,-0.3 -27,-0.0 -2,-0.1 0.469 109.1 58.7 -91.1 -2.2 32.1 15.4 32.6 92 94 A Q S X S+ 0 0 24 -3,-2.2 3,-0.6 -28,-0.1 5,-0.3 0.252 76.1 122.9-110.2 11.6 32.8 12.7 35.2 93 95 A R T 3 + 0 0 121 -3,-0.5 -3,-0.0 1,-0.2 -4,-0.0 -0.353 60.8 35.3 -78.3 156.4 29.4 11.7 36.5 94 96 A G T 3 S+ 0 0 90 -2,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.696 88.1 102.1 78.6 21.4 27.9 8.2 36.4 95 97 A K S < S- 0 0 125 -3,-0.6 -2,-0.1 0, 0.0 -1,-0.0 0.196 96.2-105.9-120.2 14.5 31.3 6.6 37.1 96 98 A G S > S+ 0 0 43 1,-0.1 4,-1.5 3,-0.0 -3,-0.1 0.616 79.5 129.4 72.7 14.8 30.9 5.8 40.8 97 99 A L H > + 0 0 12 -5,-0.3 4,-2.5 1,-0.2 5,-0.2 0.865 65.0 59.3 -69.4 -37.6 33.2 8.6 42.0 98 100 A G H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.904 107.2 46.8 -57.5 -44.3 30.8 10.0 44.6 99 101 A V H > S+ 0 0 51 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.906 110.9 53.2 -64.0 -42.1 30.7 6.7 46.4 100 102 A Q H X S+ 0 0 69 -4,-1.5 4,-1.6 1,-0.2 -2,-0.2 0.907 111.7 44.5 -58.5 -47.0 34.5 6.4 46.3 101 103 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.902 114.1 48.7 -66.5 -44.2 35.0 9.8 47.8 102 104 A L H X S+ 0 0 8 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.925 110.0 51.4 -63.8 -44.8 32.3 9.3 50.6 103 105 A Q H X S+ 0 0 78 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.884 108.7 52.5 -59.5 -37.9 33.7 5.9 51.6 104 106 A A H X S+ 0 0 16 -4,-1.6 4,-1.8 -5,-0.2 -1,-0.2 0.882 108.4 50.2 -65.4 -38.3 37.2 7.5 51.9 105 107 A L H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.909 106.9 54.5 -65.3 -43.1 35.8 10.3 54.2 106 108 A I H X S+ 0 0 3 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.877 108.5 49.9 -58.4 -38.9 34.1 7.7 56.4 107 109 A E H X S+ 0 0 130 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.878 111.8 46.5 -68.9 -39.4 37.4 5.9 56.8 108 110 A R H X S+ 0 0 92 -4,-1.8 4,-1.4 2,-0.2 -2,-0.2 0.909 114.1 48.7 -68.1 -42.4 39.3 9.1 57.8 109 111 A A H <>S+ 0 0 0 -4,-2.8 5,-2.2 2,-0.2 3,-0.2 0.921 111.7 48.2 -62.4 -47.4 36.5 10.1 60.2 110 112 A R H ><5S+ 0 0 124 -4,-2.4 3,-1.9 1,-0.2 -1,-0.2 0.933 110.3 52.5 -59.0 -45.8 36.5 6.7 61.9 111 113 A A H 3<5S+ 0 0 86 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.785 104.8 56.4 -61.0 -31.4 40.3 6.7 62.2 112 114 A Q T 3<5S- 0 0 96 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.356 118.5-111.0 -82.5 3.1 40.1 10.2 63.9 113 115 A G T < 5 + 0 0 68 -3,-1.9 -3,-0.2 1,-0.2 -2,-0.1 0.743 61.7 157.9 74.9 23.1 37.8 8.8 66.5 114 116 A L < - 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