==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 04-JUL-07 2JJ4 . COMPND 2 MOLECULE: ACETYLGLUTAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR J.L.LLACER,C.MARCO-MARIN,F.GIL-ORTIZ,I.FITA,V.RUBIO . 1181 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 873 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 111 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 157 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.5 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 . 100 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 321 27.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 36 3.0 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 1 9 2 3 2 4 6 5 4 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 6 3 3 3 6 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 . 3 4 7 3 6 0 6 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 . 6 0 4 0 0 0 3 0 1 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 8 A A 0 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 42.8 16.4 2.8 -38.1 2 9 A G - 0 0 67 1,-0.1 3,-0.1 844,-0.1 846,-0.0 -0.990 360.0-145.2-167.7 164.6 12.8 3.8 -38.0 3 10 A A + 0 0 101 -2,-0.3 2,-0.7 1,-0.2 -1,-0.1 0.910 67.0 55.2-110.4 -63.6 10.2 6.1 -39.4 4 11 A A - 0 0 62 1,-0.1 2,-0.7 836,-0.1 842,-0.2 -0.799 47.5-169.3 -94.7 114.5 7.3 7.6 -37.5 5 12 A D > + 0 0 111 -2,-0.7 4,-0.8 1,-0.2 5,-0.1 -0.484 37.6 138.2 -96.5 59.2 8.2 9.6 -34.3 6 13 A R H > S+ 0 0 32 -2,-0.7 4,-0.9 1,-0.2 -1,-0.2 0.384 71.0 69.7 -70.9 3.6 4.7 10.0 -33.0 7 14 A V H > S+ 0 0 7 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.934 90.0 48.7 -90.3 -54.6 6.7 9.2 -29.8 8 15 A R H > S+ 0 0 37 1,-0.2 4,-0.6 2,-0.2 -2,-0.1 0.852 116.2 48.2 -54.8 -35.7 8.9 12.3 -29.2 9 16 A I H < S+ 0 0 38 -4,-0.8 3,-0.5 2,-0.2 4,-0.4 0.891 109.7 48.9 -72.4 -44.1 5.7 14.4 -29.7 10 17 A L H >< S+ 0 0 7 -4,-0.9 3,-1.0 1,-0.2 4,-0.5 0.825 106.2 57.7 -67.4 -32.5 3.4 12.4 -27.3 11 18 A S H >< S+ 0 0 21 -4,-2.4 3,-0.6 1,-0.2 -1,-0.2 0.781 101.7 58.1 -63.6 -26.4 6.1 12.5 -24.7 12 19 A E T 3< S+ 0 0 142 -4,-0.6 4,-0.3 -3,-0.5 -1,-0.2 0.605 96.1 61.8 -80.0 -12.9 5.8 16.3 -25.0 13 20 A A T X> S+ 0 0 7 -3,-1.0 4,-2.6 -4,-0.4 3,-0.6 0.648 79.2 93.4 -82.1 -16.4 2.1 16.1 -24.1 14 21 A L H <> S+ 0 0 12 -3,-0.6 4,-2.3 -4,-0.5 5,-0.2 0.812 78.8 52.6 -48.9 -46.3 3.0 14.7 -20.7 15 22 A P H 3> S+ 0 0 72 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.904 114.6 42.2 -61.4 -40.7 3.1 18.0 -18.8 16 23 A Y H <> S+ 0 0 55 -3,-0.6 4,-2.1 -4,-0.3 -2,-0.2 0.906 112.2 55.3 -68.8 -42.7 -0.4 19.0 -20.0 17 24 A L H < S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -3,-0.2 0.855 113.5 41.3 -57.1 -40.0 -1.7 15.4 -19.4 18 25 A Q H >< S+ 0 0 60 -4,-2.3 3,-1.1 -5,-0.2 -1,-0.2 0.839 109.5 61.3 -71.8 -36.5 -0.5 15.7 -15.8 19 26 A Q H 3< S+ 0 0 124 -4,-1.8 -2,-0.2 1,-0.3 -1,-0.2 0.848 118.0 25.5 -64.1 -39.3 -1.8 19.3 -15.6 20 27 A F T >< S+ 0 0 14 -4,-2.1 3,-1.4 3,-0.1 2,-0.3 -0.021 85.7 150.0-114.4 28.9 -5.5 18.3 -16.2 21 28 A A T < S- 0 0 58 -3,-1.1 34,-0.1 1,-0.3 3,-0.1 -0.487 77.7 -2.2 -69.3 120.8 -5.3 14.7 -15.0 22 29 A G T 3 S+ 0 0 44 -2,-0.3 -1,-0.3 1,-0.3 33,-0.1 0.416 100.8 137.3 79.5 -0.0 -8.7 13.6 -13.6 23 30 A R < - 0 0 18 -3,-1.4 33,-3.0 1,-0.1 2,-0.4 -0.341 53.4-118.3 -78.9 160.1 -10.2 17.1 -14.2 24 31 A T E -a 56 0A 25 31,-0.2 171,-1.6 169,-0.2 172,-1.4 -0.831 24.8-168.0-102.2 137.0 -13.7 17.7 -15.6 25 32 A V E -ab 57 196A 3 31,-2.9 33,-2.9 -2,-0.4 2,-0.6 -0.959 7.3-161.6-131.8 116.1 -14.3 19.5 -18.9 26 33 A V E -ab 58 197A 0 170,-2.5 172,-2.9 -2,-0.4 2,-0.4 -0.856 15.1-169.0 -98.3 118.7 -17.7 20.7 -20.1 27 34 A V E -ab 59 198A 0 31,-2.8 33,-2.8 -2,-0.6 2,-1.0 -0.890 19.4-144.2-111.8 134.4 -17.7 21.5 -23.9 28 35 A K E -ab 60 199A 26 170,-3.0 172,-1.4 -2,-0.4 2,-0.7 -0.792 19.7-160.8 -97.1 93.0 -20.4 23.3 -25.8 29 36 A Y E +a 61 0A 2 31,-1.4 33,-0.7 -2,-1.0 2,-0.3 -0.633 33.7 135.8 -77.6 113.0 -20.4 21.4 -29.2 30 37 A G > - 0 0 5 -2,-0.7 3,-0.9 31,-0.1 2,-0.6 -0.996 45.8 -17.0-163.4 153.6 -22.1 23.7 -31.7 31 38 A G T >> S+ 0 0 33 -2,-0.3 4,-2.2 1,-0.3 3,-0.8 -0.370 118.2 28.3 63.6-103.8 -22.5 25.4 -35.0 32 39 A A H 3> S+ 0 0 15 -2,-0.6 4,-1.6 1,-0.3 -1,-0.3 0.935 127.5 41.1 -59.4 -55.0 -19.2 25.3 -37.0 33 40 A A H <4 S+ 0 0 2 -3,-0.9 -1,-0.3 1,-0.2 10,-0.2 0.500 117.3 54.0 -73.7 -2.1 -17.8 22.1 -35.5 34 41 A M H <4 S+ 0 0 8 -3,-0.8 -2,-0.2 -4,-0.1 -1,-0.2 0.789 109.9 40.1-101.0 -36.4 -21.2 20.6 -35.7 35 42 A K H < S+ 0 0 87 -4,-2.2 2,-0.4 -3,-0.2 -2,-0.2 0.944 100.4 74.0 -78.9 -52.3 -22.1 21.2 -39.4 36 43 A Q >X - 0 0 44 -4,-1.6 4,-3.3 -5,-0.2 3,-0.8 -0.514 69.8-151.0 -73.3 119.0 -18.8 20.4 -41.1 37 44 A E H 3> S+ 0 0 103 -2,-0.4 4,-3.3 1,-0.2 5,-0.4 0.935 93.8 57.5 -51.2 -57.1 -18.1 16.6 -41.1 38 45 A E H 34 S+ 0 0 82 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.781 118.1 35.7 -47.8 -32.2 -14.3 16.9 -41.0 39 46 A L H <> S+ 0 0 18 -3,-0.8 4,-2.5 -7,-0.2 -1,-0.2 0.855 114.0 54.5 -88.7 -46.3 -14.7 18.9 -37.8 40 47 A K H X S+ 0 0 26 -4,-3.3 4,-1.7 1,-0.2 -2,-0.2 0.931 111.9 46.2 -52.3 -48.8 -17.6 17.1 -36.3 41 48 A E H X S+ 0 0 63 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.817 110.6 54.7 -65.0 -32.9 -15.7 13.8 -36.7 42 49 A A H > S+ 0 0 6 -4,-0.5 4,-2.2 -5,-0.4 -2,-0.2 0.892 104.6 52.9 -67.0 -42.6 -12.6 15.6 -35.2 43 50 A V H X S+ 0 0 7 -4,-2.5 4,-3.2 -10,-0.2 5,-0.2 0.946 105.8 52.8 -60.0 -52.0 -14.5 16.7 -32.0 44 51 A M H X S+ 0 0 1 -4,-1.7 4,-3.0 1,-0.2 5,-0.3 0.913 109.8 49.3 -49.8 -49.1 -15.7 13.2 -31.2 45 52 A R H X S+ 0 0 67 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.898 112.2 48.1 -58.2 -43.0 -12.2 11.9 -31.4 46 53 A D H X S+ 0 0 3 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.946 112.7 48.6 -61.4 -48.2 -11.0 14.7 -29.1 47 54 A I H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.925 114.3 44.6 -58.2 -49.6 -13.8 14.0 -26.7 48 55 A V H X S+ 0 0 3 -4,-3.0 4,-2.9 1,-0.2 -1,-0.2 0.867 111.6 54.1 -65.9 -37.5 -13.1 10.3 -26.6 49 56 A F H X S+ 0 0 6 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.934 109.0 48.3 -59.4 -48.5 -9.3 10.9 -26.3 50 57 A L H X>S+ 0 0 2 -4,-2.6 5,-2.0 1,-0.2 4,-1.3 0.936 114.0 46.5 -55.4 -51.1 -9.9 13.1 -23.3 51 58 A A H <5S+ 0 0 24 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.920 111.4 52.4 -55.8 -47.7 -12.2 10.5 -21.7 52 59 A C H <5S+ 0 0 33 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.894 105.2 54.2 -58.3 -45.7 -9.6 7.8 -22.5 53 60 A V H <5S- 0 0 5 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.789 126.1 -95.5 -61.9 -32.9 -6.7 9.6 -20.9 54 61 A G T <5S+ 0 0 40 -4,-1.3 -3,-0.2 -3,-0.5 2,-0.2 0.457 84.4 122.7 125.7 6.0 -8.6 10.0 -17.6 55 62 A M < - 0 0 7 -5,-2.0 -1,-0.4 -6,-0.2 -31,-0.2 -0.477 63.3-119.3 -83.6 167.2 -10.2 13.4 -17.8 56 63 A R E -a 24 0A 74 -33,-3.0 -31,-2.9 -2,-0.2 2,-0.3 -0.836 31.8-171.3-116.1 92.1 -14.0 13.8 -17.5 57 64 A P E -a 25 0A 2 0, 0.0 2,-0.4 0, 0.0 -31,-0.2 -0.672 5.4-171.2 -90.2 136.8 -15.5 15.3 -20.6 58 65 A V E -a 26 0A 0 -33,-2.9 -31,-2.8 -2,-0.3 2,-0.5 -0.986 11.1-149.6-127.3 122.2 -19.2 16.4 -20.8 59 66 A V E -ac 27 164A 1 104,-2.5 106,-3.3 -2,-0.4 2,-0.4 -0.799 12.9-176.1 -93.7 126.3 -20.8 17.4 -24.1 60 67 A V E +ac 28 165A 0 -33,-2.8 -31,-1.4 -2,-0.5 2,-0.3 -0.984 16.6 178.3-116.2 134.0 -23.6 20.0 -24.0 61 68 A H E +ac 29 166A 0 104,-2.4 106,-1.3 -2,-0.4 -31,-0.1 -0.950 25.2 174.6-140.4 155.8 -25.3 20.8 -27.3 62 69 A G - 0 0 5 -33,-0.7 118,-0.0 -2,-0.3 -1,-0.0 0.018 14.8-157.4-119.4-126.7 -28.0 22.8 -29.1 63 70 A G > + 0 0 11 -2,-0.1 4,-2.2 3,-0.0 5,-0.2 0.519 19.5 166.4 141.0 56.4 -28.6 23.0 -32.8 64 71 A G H > S+ 0 0 20 1,-0.2 4,-2.8 2,-0.2 3,-0.4 0.955 86.2 46.9 -52.2 -59.9 -30.5 26.0 -34.1 65 72 A P H > S+ 0 0 95 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.839 111.3 54.0 -51.0 -38.8 -29.6 25.3 -37.8 66 73 A E H > S+ 0 0 47 2,-0.2 4,-1.0 1,-0.2 -2,-0.2 0.875 110.4 45.2 -64.5 -40.6 -30.5 21.7 -37.2 67 74 A I H X S+ 0 0 3 -4,-2.2 4,-2.0 -3,-0.4 5,-0.2 0.918 103.3 64.9 -68.2 -44.5 -34.0 22.7 -35.9 68 75 A N H X S+ 0 0 53 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.838 98.8 56.4 -44.5 -42.9 -34.4 25.3 -38.7 69 76 A A H < S+ 0 0 48 -4,-1.3 -1,-0.2 1,-0.2 3,-0.2 0.969 109.0 41.2 -54.1 -62.7 -34.5 22.4 -41.2 70 77 A W H >< S+ 0 0 6 -4,-1.0 3,-1.4 1,-0.2 -1,-0.2 0.772 108.8 59.5 -66.3 -30.5 -37.3 20.3 -39.7 71 78 A L H >X>S+ 0 0 1 -4,-2.0 5,-2.3 1,-0.3 3,-2.2 0.953 102.2 54.5 -58.3 -49.6 -39.5 23.4 -39.0 72 79 A G T 3<5S+ 0 0 52 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.299 104.8 57.8 -68.1 11.5 -39.4 24.1 -42.7 73 80 A R T <45S+ 0 0 99 -3,-1.4 -1,-0.3 3,-0.1 -2,-0.2 0.308 106.8 43.0-123.4 2.0 -40.7 20.6 -43.2 74 81 A V T <45S- 0 0 42 -3,-2.2 -2,-0.2 2,-0.2 -3,-0.1 0.248 122.9-102.7-119.6 0.4 -43.9 20.9 -41.1 75 82 A G T <5S+ 0 0 68 -4,-0.8 2,-0.4 1,-0.3 -3,-0.2 0.835 77.5 133.0 82.5 35.9 -44.5 24.4 -42.7 76 83 A I < - 0 0 45 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.931 49.6-128.8-118.6 144.5 -43.4 26.6 -39.8 77 84 A E - 0 0 153 -2,-0.4 -9,-0.0 -5,-0.1 -5,-0.0 -0.780 22.7-110.1-102.4 132.0 -41.1 29.6 -40.2 78 85 A P - 0 0 73 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.303 38.1-175.7 -59.3 138.9 -37.9 30.3 -38.1 79 86 A Q - 0 0 125 7,-0.1 7,-2.6 2,-0.0 2,-0.4 -0.915 6.1-179.1-150.7 103.2 -38.4 33.2 -35.8 80 87 A F E -H 85 0B 106 -2,-0.3 2,-0.5 5,-0.3 5,-0.2 -0.913 10.3-165.8-115.2 136.8 -35.7 34.7 -33.6 81 88 A H E > S-H 84 0B 97 3,-2.8 3,-0.9 -2,-0.4 58,-0.0 -0.881 72.5 -38.6-125.1 98.3 -36.0 37.6 -31.2 82 89 A N T 3 S- 0 0 108 -2,-0.5 2,-0.4 1,-0.2 -1,-0.1 0.897 123.7 -35.1 52.4 55.2 -32.7 39.0 -30.0 83 90 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.2 157,-0.0 2,-0.2 -0.369 123.7 81.9 105.0 -53.1 -30.6 35.8 -29.7 84 91 A L E < S-H 81 0B 30 -3,-0.9 -3,-2.8 -2,-0.4 2,-0.4 -0.611 82.7-111.0 -91.0 148.0 -33.3 33.4 -28.5 85 92 A R E -H 80 0B 12 -5,-0.2 2,-1.1 -2,-0.2 -5,-0.3 -0.650 24.6-122.9 -82.7 126.0 -35.8 31.6 -30.8 86 93 A V - 0 0 20 -7,-2.6 2,-0.7 -2,-0.4 54,-0.2 -0.533 41.8-176.1 -66.8 97.5 -39.5 32.6 -30.5 87 94 A T B -i 140 0C 0 52,-1.6 54,-2.8 -2,-1.1 91,-0.1 -0.859 11.0-174.8-114.2 105.4 -40.9 29.2 -29.7 88 95 A D > - 0 0 82 -2,-0.7 4,-2.2 52,-0.2 5,-0.2 -0.102 49.7 -83.9 -77.5-176.0 -44.6 28.6 -29.3 89 96 A A H > S+ 0 0 57 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.848 129.6 46.9 -61.5 -37.1 -46.2 25.3 -28.3 90 97 A D H > S+ 0 0 92 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.890 114.3 44.8 -73.5 -41.4 -46.1 23.9 -31.8 91 98 A T H > S+ 0 0 10 1,-0.2 4,-2.0 2,-0.2 3,-0.3 0.789 106.5 61.6 -73.9 -29.0 -42.5 24.9 -32.5 92 99 A M H X S+ 0 0 5 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.939 96.9 59.2 -57.9 -49.2 -41.4 23.6 -29.1 93 100 A E H X S+ 0 0 46 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.809 108.3 45.2 -50.3 -37.8 -42.5 20.1 -30.0 94 101 A V H X S+ 0 0 3 -4,-0.7 4,-2.9 -3,-0.3 5,-0.3 0.918 108.6 55.2 -74.2 -46.3 -40.1 20.2 -33.0 95 102 A V H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.4 0.940 110.8 46.4 -49.4 -53.8 -37.2 21.6 -31.0 96 103 A E H X>S+ 0 0 15 -4,-2.6 4,-1.8 1,-0.2 5,-0.9 0.872 113.2 48.8 -55.8 -45.4 -37.5 18.7 -28.5 97 104 A M H <>S+ 0 0 7 -4,-1.4 5,-1.2 -5,-0.3 4,-0.4 0.863 117.3 41.1 -66.2 -39.3 -37.8 16.1 -31.3 98 105 A V H X>S+ 0 0 1 -4,-2.9 5,-3.2 3,-0.2 4,-0.7 0.959 121.4 37.7 -73.8 -53.8 -34.7 17.5 -33.1 99 106 A L H <>S+ 0 0 2 -4,-3.0 5,-2.1 -5,-0.3 -3,-0.2 0.921 129.1 29.4 -70.0 -48.1 -32.4 18.2 -30.2 100 107 A V T <5S+ 0 0 2 -4,-1.8 5,-0.3 -5,-0.4 -3,-0.2 0.907 132.4 32.6 -79.3 -44.5 -33.2 15.2 -27.9 101 108 A G T 4> S+ 0 0 3 -4,-0.4 4,-0.8 -5,-0.3 -1,-0.3 0.464 107.1 57.3 -80.0 -4.1 -28.4 10.5 -30.5 106 113 A D H <> S+ 0 0 38 -3,-1.5 4,-2.4 2,-0.1 -1,-0.2 0.845 109.4 44.0 -83.4 -44.1 -26.1 11.4 -33.4 107 114 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.920 117.1 45.6 -65.6 -46.6 -23.4 12.7 -31.0 108 115 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 10,-0.4 0.937 111.9 53.1 -59.5 -49.1 -23.8 9.6 -28.8 109 116 A S H X S+ 0 0 6 -4,-0.8 4,-1.9 1,-0.2 -2,-0.2 0.897 110.8 46.5 -52.1 -49.0 -23.8 7.3 -31.8 110 117 A R H X S+ 0 0 47 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.927 111.8 49.1 -63.0 -49.4 -20.6 8.8 -33.1 111 118 A I H X>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-1.1 0.930 110.4 52.1 -56.6 -47.9 -18.7 8.6 -29.8 112 119 A N H ><5S+ 0 0 1 -4,-2.7 3,-0.5 1,-0.2 -1,-0.2 0.896 112.2 44.6 -56.1 -44.3 -19.8 5.0 -29.2 113 120 A T H 3<5S+ 0 0 55 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.780 108.3 58.7 -72.6 -26.5 -18.5 4.0 -32.7 114 121 A T H 3<5S- 0 0 22 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.673 129.0 -97.4 -74.9 -18.4 -15.3 6.0 -32.0 115 122 A G T <<5S+ 0 0 46 -4,-1.1 -3,-0.2 -3,-0.5 2,-0.2 0.500 87.8 111.6 113.1 8.3 -14.8 3.8 -28.9 116 123 A G < - 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