==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION/DNA 18-OCT-04 1XS9 . COMPND 2 MOLECULE: MULTIPLE ANTIBIOTIC RESISTANCE PROTEIN MARA; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR B.DANGI,A.M.GRONENBORN,J.L.ROSNER,R.G.MARTIN . 210 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12069.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 0.5 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 . 11 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 15.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 67 31.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 4 1 1 0 1 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 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 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 0 218 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 164.5 25.8 -13.0 12.9 2 2 A T + 0 0 140 1,-0.0 0, 0.0 3,-0.0 0, 0.0 0.988 360.0 102.9 61.6 64.3 27.1 -10.6 15.6 3 3 A M - 0 0 82 3,-0.0 4,-0.1 2,-0.0 -1,-0.0 0.515 47.2-171.0-133.6 -60.2 24.8 -7.7 14.8 4 4 A S + 0 0 120 2,-0.2 3,-0.1 1,-0.1 0, 0.0 0.850 69.8 80.4 60.2 38.2 22.0 -7.4 17.4 5 5 A R S S+ 0 0 187 1,-0.5 2,-0.3 206,-0.1 -1,-0.1 0.546 92.0 10.8-132.6 -64.8 20.3 -4.7 15.3 6 6 A R - 0 0 115 205,-0.1 -1,-0.5 4,-0.0 2,-0.3 -0.837 63.6-129.1-124.4 161.2 18.3 -6.0 12.3 7 7 A N >> - 0 0 91 -2,-0.3 4,-2.6 1,-0.1 3,-0.8 -0.828 17.7-128.6-109.8 149.2 17.1 -9.4 11.1 8 8 A T H 3> S+ 0 0 111 -2,-0.3 4,-1.1 1,-0.3 -1,-0.1 0.856 114.6 50.2 -62.6 -34.9 17.6 -10.9 7.6 9 9 A D H 34 S+ 0 0 75 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.618 112.8 49.6 -77.5 -12.8 13.9 -11.6 7.5 10 10 A A H X> S+ 0 0 11 -3,-0.8 4,-2.0 2,-0.1 3,-1.7 0.870 102.3 56.0 -92.4 -44.5 13.3 -8.0 8.5 11 11 A I H 3< S+ 0 0 60 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.1 0.847 102.2 58.7 -59.0 -33.7 15.5 -6.2 6.0 12 12 A T T 3< S+ 0 0 51 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.676 117.3 33.3 -70.5 -15.9 13.7 -7.9 3.1 13 13 A I T X> S+ 0 0 0 -3,-1.7 3,-1.6 1,-0.1 4,-0.8 0.558 98.0 83.7-111.4 -15.7 10.5 -6.3 4.3 14 14 A H T 3< S+ 0 0 67 -4,-2.0 -2,-0.1 1,-0.3 -3,-0.1 -0.009 89.9 55.4 -79.6 31.6 12.1 -3.1 5.7 15 15 A S T 34 S+ 0 0 5 -2,-0.5 -1,-0.3 -3,-0.1 -2,-0.1 0.030 95.6 64.9-147.8 21.3 11.9 -1.8 2.2 16 16 A I T <> S+ 0 0 2 -3,-1.6 4,-2.6 3,-0.1 5,-0.2 0.687 90.7 58.5-115.2 -38.7 8.1 -2.2 1.6 17 17 A L H X S+ 0 0 16 -4,-0.8 4,-2.4 1,-0.2 5,-0.2 0.947 110.9 43.8 -59.2 -49.5 6.5 0.1 4.1 18 18 A D H > S+ 0 0 13 1,-0.2 4,-1.8 2,-0.2 129,-0.5 0.839 111.1 56.3 -65.2 -33.7 8.3 3.1 2.7 19 19 A W H 4 S+ 0 0 7 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.939 110.0 44.3 -63.5 -47.2 7.5 1.9 -0.8 20 20 A I H >< S+ 0 0 0 -4,-2.6 3,-2.1 1,-0.2 4,-0.4 0.944 110.8 53.5 -62.4 -51.0 3.8 1.8 -0.1 21 21 A E H >< S+ 0 0 17 -4,-2.4 3,-0.6 1,-0.3 4,-0.2 0.849 111.4 45.4 -54.6 -39.4 3.7 5.2 1.7 22 22 A D T 3< S+ 0 0 15 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.347 119.9 42.8 -88.2 7.4 5.4 7.0 -1.3 23 23 A N T < S+ 0 0 30 -3,-2.1 -1,-0.2 6,-0.1 -2,-0.2 0.176 95.3 74.2-136.4 16.4 3.0 5.2 -3.7 24 24 A L S < S+ 0 0 2 -3,-0.6 -2,-0.1 -4,-0.4 -3,-0.1 0.463 72.5 82.3-110.1 -2.5 -0.4 5.4 -2.0 25 25 A E S S- 0 0 66 -4,-0.2 -1,-0.1 62,-0.0 62,-0.1 0.789 121.6 -8.1 -72.3 -27.7 -1.1 9.0 -2.6 26 26 A S S S+ 0 0 69 60,-0.2 -2,-0.1 1,-0.1 -3,-0.1 0.571 123.4 62.3-133.2 -57.0 -2.4 8.3 -6.1 27 27 A P S S- 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.192 74.7-126.2 -71.8 169.2 -1.8 4.6 -7.2 28 28 A L - 0 0 96 59,-0.1 -5,-0.1 -3,-0.1 59,-0.0 0.926 31.8-174.0 -80.6 -48.9 -3.3 1.6 -5.5 29 29 A S + 0 0 1 1,-0.1 -6,-0.1 4,-0.0 2,-0.1 0.948 18.0 162.0 52.0 62.8 -0.0 -0.2 -4.9 30 30 A L >> - 0 0 69 30,-0.0 4,-2.8 1,-0.0 3,-0.6 -0.191 60.1 -72.3 -93.8-167.9 -1.3 -3.5 -3.5 31 31 A E T 34 S+ 0 0 19 1,-0.3 4,-0.4 2,-0.2 8,-0.1 0.881 134.8 53.1 -55.1 -41.0 0.5 -6.8 -3.2 32 32 A K T 34 S+ 0 0 106 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.821 112.7 44.0 -65.9 -30.9 0.2 -7.3 -6.9 33 33 A V T X4 S+ 0 0 54 -3,-0.6 3,-0.9 1,-0.2 -2,-0.2 0.848 111.9 52.0 -81.5 -34.2 1.8 -3.9 -7.5 34 34 A S G >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.2 -2,-0.2 0.484 85.5 91.3 -79.0 -2.1 4.5 -4.5 -4.8 35 35 A E G > S+ 0 0 46 -4,-0.4 3,-0.9 1,-0.3 -1,-0.2 0.845 85.4 50.3 -60.7 -33.9 5.2 -7.8 -6.6 36 36 A R G < S+ 0 0 98 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.480 110.8 51.0 -83.3 -3.2 7.8 -5.9 -8.7 37 37 A S G < S- 0 0 2 -3,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.173 134.2 -15.3-117.0 13.2 9.3 -4.6 -5.4 38 38 A G S < S- 0 0 23 -3,-0.9 2,-0.2 1,-0.1 -3,-0.1 -0.388 101.7 -42.2-169.7-105.6 9.6 -7.9 -3.7 39 39 A Y S S- 0 0 127 -5,-0.2 -2,-0.2 1,-0.1 -1,-0.1 -0.765 75.0 -46.5-139.5-177.2 8.0 -11.3 -4.5 40 40 A S >> - 0 0 66 -2,-0.2 4,-3.6 1,-0.1 3,-1.3 -0.205 58.3-110.1 -55.8 144.1 4.8 -12.9 -5.6 41 41 A K H 3> S+ 0 0 52 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.882 117.4 49.0 -40.6 -58.3 1.6 -11.7 -3.8 42 42 A W H 3> S+ 0 0 194 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.756 119.2 39.8 -59.6 -26.7 1.0 -15.0 -1.9 43 43 A H H <> S+ 0 0 109 -3,-1.3 4,-2.2 2,-0.2 -2,-0.2 0.871 115.0 49.7 -90.2 -41.0 4.7 -15.0 -0.8 44 44 A L H X S+ 0 0 2 -4,-3.6 4,-3.2 1,-0.2 5,-0.2 0.882 107.7 55.6 -64.9 -39.0 5.0 -11.3 -0.0 45 45 A Q H X S+ 0 0 67 -4,-3.0 4,-2.7 -5,-0.3 -1,-0.2 0.922 109.3 46.9 -59.0 -45.1 1.9 -11.3 2.0 46 46 A R H X S+ 0 0 186 -4,-0.7 4,-1.9 -5,-0.3 -2,-0.2 0.919 115.8 44.5 -63.0 -45.5 3.3 -14.1 4.2 47 47 A M H < S+ 0 0 19 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.896 115.1 48.2 -67.1 -41.4 6.6 -12.3 4.6 48 48 A F H >X>S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 3,-1.1 0.917 112.0 49.3 -65.2 -44.3 5.0 -8.9 5.3 49 49 A K H 3<5S+ 0 0 100 -4,-2.7 4,-0.4 1,-0.3 -1,-0.2 0.849 110.0 50.5 -65.1 -36.1 2.6 -10.4 7.8 50 50 A K T 3<5S+ 0 0 112 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.463 120.3 37.0 -83.2 -0.0 5.4 -12.2 9.7 51 51 A E T <45S+ 0 0 47 -3,-1.1 -2,-0.2 -4,-0.3 -3,-0.2 0.762 128.0 25.3-112.7 -59.0 7.4 -8.9 9.8 52 52 A T T <5S- 0 0 7 -4,-2.8 -3,-0.2 2,-0.3 -2,-0.1 0.886 95.5-128.5 -76.7 -39.7 5.0 -6.0 10.3 53 53 A G S - 0 0 44 -2,-0.2 4,-2.4 1,-0.1 5,-0.1 -0.507 26.9-128.8 -79.8 149.9 -1.7 -7.9 6.4 56 56 A L H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 3,-0.2 0.989 107.2 41.2 -62.5 -65.1 -0.5 -6.1 3.2 57 57 A G H > S+ 0 0 17 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.804 116.6 52.9 -53.8 -31.3 -3.8 -5.4 1.5 58 58 A Q H > S+ 0 0 72 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.926 108.6 48.9 -69.3 -45.1 -5.2 -4.5 5.0 59 59 A Y H X S+ 0 0 0 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.898 106.5 56.7 -60.9 -44.7 -2.4 -2.0 5.6 60 60 A I H X S+ 0 0 11 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.940 112.1 40.8 -53.6 -52.8 -2.9 -0.3 2.3 61 61 A R H X S+ 0 0 144 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.916 114.2 53.6 -63.3 -44.1 -6.6 0.4 3.0 62 62 A S H X S+ 0 0 12 -4,-2.5 4,-1.8 1,-0.2 59,-0.5 0.914 112.9 42.2 -58.5 -46.8 -5.9 1.4 6.6 63 63 A R H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 -1,-0.2 0.907 114.4 50.5 -69.3 -41.8 -3.2 3.9 5.7 64 64 A K H X S+ 0 0 14 -4,-2.4 4,-2.5 -5,-0.3 5,-0.2 0.893 107.9 55.3 -63.2 -38.8 -5.2 5.3 2.7 65 65 A M H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.954 111.7 40.6 -59.2 -54.1 -8.2 5.7 5.0 66 66 A T H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.857 113.1 56.2 -65.1 -34.4 -6.5 7.8 7.6 67 67 A E H X S+ 0 0 32 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.919 111.1 42.8 -63.4 -43.5 -4.6 9.8 4.9 68 68 A I H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.892 110.3 57.4 -68.7 -39.3 -7.9 10.8 3.3 69 69 A A H >X S+ 0 0 0 -4,-2.4 4,-1.1 1,-0.2 3,-0.7 0.891 106.2 49.3 -57.9 -41.9 -9.4 11.5 6.7 70 70 A Q H 3X>S+ 0 0 56 -4,-2.1 4,-3.2 1,-0.3 5,-0.8 0.906 109.6 50.9 -64.8 -40.8 -6.7 14.0 7.4 71 71 A K H 3<5S+ 0 0 24 -4,-1.6 6,-0.6 1,-0.2 -1,-0.3 0.567 108.0 55.1 -73.9 -9.0 -7.2 15.7 4.0 72 72 A L H <<5S+ 0 0 0 -4,-0.7 -1,-0.2 -3,-0.7 -2,-0.2 0.698 119.9 29.6 -93.0 -24.2 -10.9 15.8 4.9 73 73 A K H <5S+ 0 0 56 -4,-1.1 -2,-0.2 -3,-0.5 -3,-0.2 0.871 131.7 30.6 -99.6 -54.0 -10.2 17.7 8.1 74 74 A E T <5S+ 0 0 151 -4,-3.2 -3,-0.2 -5,-0.2 2,-0.1 0.946 125.8 40.3 -72.5 -50.0 -7.0 19.7 7.5 75 75 A S < - 0 0 42 -5,-0.8 0, 0.0 2,-0.1 0, 0.0 -0.418 69.6-142.9 -93.4 171.7 -7.6 20.2 3.8 76 76 A N + 0 0 129 -2,-0.1 -4,-0.1 2,-0.0 3,-0.1 0.051 44.8 149.9-121.5 22.1 -10.9 21.0 2.0 77 77 A E - 0 0 54 -6,-0.6 5,-0.1 1,-0.1 -2,-0.1 -0.368 56.7 -98.6 -60.4 128.3 -10.2 18.9 -1.1 78 78 A P > - 0 0 78 0, 0.0 4,-3.0 0, 0.0 5,-0.2 -0.123 22.1-127.5 -50.1 142.9 -13.5 17.5 -2.6 79 79 A I H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 111.3 51.8 -59.8 -43.6 -14.4 14.0 -1.7 80 80 A L H > S+ 0 0 102 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.886 112.1 47.2 -61.4 -39.1 -14.9 13.0 -5.3 81 81 A Y H > S+ 0 0 113 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.949 111.3 49.3 -67.2 -50.3 -11.4 14.4 -6.0 82 82 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 6,-0.2 0.887 112.4 50.3 -56.5 -40.8 -9.8 12.6 -3.1 83 83 A A H X>S+ 0 0 0 -4,-2.6 5,-3.3 2,-0.2 4,-0.7 0.981 115.2 39.5 -61.6 -59.0 -11.4 9.4 -4.2 84 84 A E H ><5S+ 0 0 141 -4,-2.4 3,-0.6 1,-0.2 -2,-0.2 0.860 117.0 52.9 -59.8 -36.9 -10.3 9.6 -7.9 85 85 A R H 3<5S+ 0 0 48 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.908 109.0 47.4 -66.2 -43.5 -6.9 10.9 -6.7 86 86 A Y H 3<5S- 0 0 1 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.483 128.2 -94.1 -79.6 -4.0 -6.3 8.0 -4.3 87 87 A G T <<5S+ 0 0 22 -4,-0.7 2,-0.3 -3,-0.6 -3,-0.2 0.556 75.1 146.4 105.2 8.7 -7.3 5.4 -6.9 88 88 A F < - 0 0 35 -5,-3.3 -1,-0.3 -6,-0.2 3,-0.1 -0.619 48.2-139.6 -81.5 138.2 -11.0 5.0 -6.1 89 89 A E S S- 0 0 178 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.834 81.8 -2.0 -64.5 -33.2 -13.3 4.3 -9.0 90 90 A S > - 0 0 44 1,-0.1 4,-1.6 -7,-0.1 3,-0.3 -0.982 66.9-111.8-155.4 161.5 -16.0 6.6 -7.6 91 91 A Q H > S+ 0 0 60 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.875 117.4 60.6 -61.9 -38.3 -16.8 8.8 -4.6 92 92 A Q H > S+ 0 0 138 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 102.9 52.0 -55.9 -39.8 -19.5 6.3 -3.6 93 93 A T H > S+ 0 0 31 -3,-0.3 4,-2.5 2,-0.2 -1,-0.2 0.942 110.0 46.8 -62.8 -49.2 -16.8 3.7 -3.3 94 94 A L H X S+ 0 0 0 -4,-1.6 4,-3.1 1,-0.2 5,-0.3 0.897 109.7 54.8 -60.2 -41.1 -14.7 6.0 -1.0 95 95 A T H X S+ 0 0 46 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.879 109.4 48.0 -60.3 -37.7 -17.8 6.7 1.0 96 96 A R H X S+ 0 0 163 -4,-1.8 4,-2.0 -5,-0.2 -2,-0.2 0.946 114.0 44.9 -68.1 -49.1 -18.4 3.0 1.5 97 97 A T H < S+ 0 0 29 -4,-2.5 -2,-0.2 2,-0.2 5,-0.2 0.922 115.3 47.9 -61.3 -46.3 -14.8 2.3 2.6 98 98 A F H >X>S+ 0 0 0 -4,-3.1 4,-3.0 1,-0.2 3,-1.2 0.908 112.9 48.0 -62.2 -44.1 -14.7 5.3 4.9 99 99 A K H 3<5S+ 0 0 85 -4,-2.1 4,-0.3 -5,-0.3 -1,-0.2 0.832 111.6 50.3 -67.6 -32.4 -18.0 4.4 6.5 100 100 A N T 3<5S+ 0 0 140 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.311 122.2 34.0 -88.6 8.7 -16.9 0.8 7.0 101 101 A Y T <45S+ 0 0 50 -3,-1.2 -2,-0.2 3,-0.1 -3,-0.2 0.641 133.7 19.4-123.7 -58.8 -13.7 2.0 8.6 102 102 A F T <5S- 0 0 8 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.1 0.574 90.4-135.8 -92.0 -13.6 -14.2 5.2 10.6 103 103 A D S - 0 0 45 0, 0.0 4,-3.0 0, 0.0 3,-0.4 -0.303 28.1-120.3 -56.4 138.9 -19.4 9.5 6.4 106 106 A P H > S+ 0 0 2 0, 0.0 4,-1.1 0, 0.0 -11,-0.0 0.854 113.7 47.9 -48.4 -43.9 -16.4 11.3 4.6 107 107 A H H > S+ 0 0 131 1,-0.2 4,-0.7 2,-0.2 5,-0.1 0.872 114.0 46.3 -68.8 -36.7 -18.4 14.6 4.4 108 108 A K H >> S+ 0 0 123 -3,-0.4 4,-1.8 1,-0.2 3,-0.8 0.880 106.2 58.6 -73.4 -37.2 -19.5 14.4 8.0 109 109 A Y H 3< S+ 0 0 3 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.819 102.0 56.9 -59.8 -31.0 -15.9 13.6 9.1 110 110 A R H 3< S+ 0 0 33 -4,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.813 114.6 36.8 -69.6 -30.9 -14.9 16.9 7.5 111 111 A M H << S+ 0 0 131 -3,-0.8 2,-0.8 -4,-0.7 -2,-0.2 0.585 91.7 102.0 -98.5 -14.4 -17.4 18.8 9.6 112 112 A T < + 0 0 25 -4,-1.8 -4,-0.0 1,-0.2 -3,-0.0 -0.631 41.7 176.7 -76.8 109.3 -16.9 16.8 12.8 113 113 A N S S+ 0 0 140 -2,-0.8 -1,-0.2 1,-0.2 -4,-0.0 0.721 79.6 59.1 -82.7 -23.8 -14.7 18.8 15.1 114 114 A M S S+ 0 0 174 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.732 87.9 91.0 -76.3 -23.4 -15.0 16.3 17.9 115 115 A Q + 0 0 67 -6,-0.1 2,-0.1 1,-0.1 0, 0.0 -0.555 54.3 150.9 -75.5 134.3 -13.5 13.6 15.7 116 116 A G - 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