==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-DEC-05 2F7V . COMPND 2 MOLECULE: AECTYLCITRULLINE DEACETYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS; . AUTHOR D.SHI,X.YU,L.ROTH,N.M.ALLEWELL,M.TUCHMAN . 360 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15823.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 55 15.3 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 24 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 2 1 0 0 1 1 0 0 0 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 2 2 1 0 1 1 1 2 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 . 1 2 1 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 0 A H 0 0 166 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 132.3 46.9 42.0 14.1 2 1 A M - 0 0 80 4,-0.0 2,-0.3 346,-0.0 3,-0.0 -0.970 360.0-176.1-137.6 150.9 46.1 44.1 11.1 3 2 A T > - 0 0 34 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.930 39.7-113.8-137.4 158.9 46.6 43.9 7.3 4 3 A D H > S+ 0 0 145 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.886 118.5 53.3 -61.8 -37.8 45.7 46.4 4.6 5 4 A L H > S+ 0 0 27 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.898 112.4 42.9 -64.4 -42.0 43.2 44.0 3.2 6 5 A L H > S+ 0 0 0 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.895 112.2 54.2 -71.0 -40.0 41.5 43.6 6.6 7 6 A A H X S+ 0 0 31 -4,-2.8 4,-1.7 1,-0.2 -2,-0.2 0.910 110.7 46.3 -59.6 -42.6 41.7 47.3 7.2 8 7 A S H X S+ 0 0 41 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.890 110.0 53.6 -67.5 -40.4 39.9 48.0 3.9 9 8 A T H X S+ 0 0 0 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.936 109.5 48.8 -59.0 -45.9 37.3 45.3 4.7 10 9 A L H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.855 109.9 51.3 -63.5 -36.6 36.6 47.0 8.0 11 10 A E H X S+ 0 0 127 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.936 113.6 43.7 -67.1 -46.2 36.2 50.5 6.4 12 11 A H H X S+ 0 0 19 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.881 112.8 53.7 -65.3 -38.2 33.8 49.2 3.8 13 12 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 -5,-0.2 5,-0.2 0.905 103.3 55.5 -64.5 -41.7 31.9 47.2 6.4 14 13 A E H X S+ 0 0 109 -4,-2.3 4,-1.5 1,-0.2 76,-0.3 0.919 112.6 43.5 -56.8 -43.8 31.5 50.3 8.6 15 14 A T H X S+ 0 0 45 -4,-1.5 4,-0.9 2,-0.2 -2,-0.2 0.945 113.0 50.6 -66.7 -50.2 29.8 52.0 5.7 16 15 A L H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.899 109.9 51.0 -55.6 -43.2 27.7 49.0 4.7 17 16 A V H 3< S+ 0 0 0 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.865 101.5 62.1 -63.6 -36.6 26.4 48.6 8.2 18 17 A S H 3< S+ 0 0 64 -4,-1.5 2,-0.4 -5,-0.2 -1,-0.2 0.730 86.0 88.4 -63.6 -23.1 25.4 52.3 8.4 19 18 A F S << S- 0 0 48 -4,-0.9 2,-0.8 -3,-0.9 -4,-0.0 -0.662 83.8-128.3 -79.1 127.2 23.0 51.8 5.5 20 19 A D + 0 0 77 -2,-0.4 14,-0.1 1,-0.1 -2,-0.1 -0.657 45.1 153.6 -78.6 109.6 19.6 50.7 6.9 21 20 A T + 0 0 4 -2,-0.8 55,-1.9 -4,-0.2 -1,-0.1 -0.020 16.2 157.4-125.2 28.8 18.6 47.6 4.9 22 21 A R B >> -a 76 0A 71 53,-0.2 4,-2.1 5,-0.1 5,-0.5 -0.263 37.1-130.2 -57.4 137.8 16.3 46.0 7.5 23 22 A N T 45S+ 0 0 8 53,-2.3 -1,-0.0 2,-0.2 -2,-0.0 -0.924 82.0 62.8-140.6 110.5 13.9 43.5 6.0 24 23 A P T 45S+ 0 0 80 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.556 114.8 26.5 -64.4 163.4 11.1 44.0 6.9 25 24 A P T 45S- 0 0 101 0, 0.0 -2,-0.2 0, 0.0 3,-0.2 -0.991 85.5-164.1 -84.5 -1.1 10.2 46.7 5.9 26 25 A R T <5 + 0 0 15 -4,-2.1 2,-2.1 1,-0.2 -3,-0.2 0.916 15.5 173.3 56.4 47.3 12.8 46.3 3.1 27 26 A A < + 0 0 86 -5,-0.5 2,-0.5 2,-0.0 -1,-0.2 -0.523 21.7 148.8 -84.1 70.4 12.7 50.0 2.3 28 27 A I - 0 0 14 -2,-2.1 27,-0.3 -3,-0.2 2,-0.3 -0.935 29.4-161.4-113.7 123.5 15.5 49.6 -0.2 29 28 A A - 0 0 57 -2,-0.5 6,-0.4 2,-0.1 28,-0.1 -0.709 23.7-136.2-104.2 155.1 15.8 51.8 -3.3 30 29 A A S S+ 0 0 20 -2,-0.3 2,-0.3 5,-0.1 -1,-0.1 0.871 92.6 60.1 -72.6 -37.6 17.7 51.3 -6.5 31 30 A E S S- 0 0 166 4,-0.1 -2,-0.1 5,-0.0 3,-0.1 -0.698 107.3 -3.4 -95.1 144.9 18.9 55.0 -6.4 32 31 A G S >> S+ 0 0 24 -2,-0.3 4,-1.3 1,-0.2 3,-0.6 -0.185 99.6 58.8 72.0-170.9 20.9 56.5 -3.6 33 32 A G H 3> S- 0 0 46 1,-0.2 4,-1.6 2,-0.2 3,-0.4 -0.023 113.3 -11.3 54.5-148.2 21.9 54.6 -0.5 34 33 A I H 3> S+ 0 0 7 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.812 134.0 52.7 -56.4 -37.7 23.9 51.4 -0.4 35 34 A F H <> S+ 0 0 0 -3,-0.6 4,-1.9 -6,-0.4 -1,-0.2 0.868 106.2 52.3 -71.4 -34.7 23.7 50.7 -4.2 36 35 A D H X S+ 0 0 78 -4,-1.3 4,-0.8 -3,-0.4 -1,-0.2 0.869 111.0 51.6 -65.6 -33.2 25.0 54.2 -5.1 37 36 A Y H >< S+ 0 0 45 -4,-1.6 3,-1.0 1,-0.2 4,-0.3 0.952 108.6 47.3 -67.0 -51.0 27.8 53.4 -2.7 38 37 A L H >< S+ 0 0 0 -4,-2.4 3,-1.5 1,-0.3 4,-0.2 0.834 102.9 65.2 -60.9 -32.4 28.7 50.0 -4.3 39 38 A R H >< S+ 0 0 122 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.841 105.9 43.8 -58.2 -34.1 28.6 51.6 -7.7 40 39 A A T << S+ 0 0 74 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.388 108.5 59.0 -93.3 3.0 31.6 53.7 -6.7 41 40 A Q T < S+ 0 0 47 -3,-1.5 -1,-0.2 -4,-0.3 -2,-0.2 0.182 85.4 79.8-117.1 17.4 33.5 50.9 -5.1 42 41 A L X - 0 0 10 -3,-0.5 3,-1.6 -4,-0.2 -1,-0.1 -0.597 63.1-168.6-125.6 71.2 33.8 48.5 -8.0 43 42 A P T 3 S+ 0 0 62 0, 0.0 3,-0.1 0, 0.0 -3,-0.0 -0.344 74.1 12.2 -62.9 133.2 36.7 49.6 -10.3 44 43 A G T 3 S+ 0 0 67 1,-0.3 20,-0.3 -2,-0.1 2,-0.3 0.370 99.2 125.4 84.3 -5.8 36.9 47.9 -13.6 45 44 A F < - 0 0 18 -3,-1.6 2,-0.6 18,-0.1 -1,-0.3 -0.641 62.5-132.8 -91.0 145.1 33.5 46.3 -13.3 46 45 A Q E -B 62 0B 157 16,-3.0 16,-2.2 -2,-0.3 2,-0.4 -0.856 39.4-159.2 -88.5 121.7 30.6 46.6 -15.7 47 46 A V E +B 61 0B 44 -2,-0.6 2,-0.4 14,-0.2 14,-0.2 -0.915 21.7 176.8-118.7 138.1 27.8 47.4 -13.3 48 47 A E E -B 60 0B 79 12,-2.2 12,-2.7 -2,-0.4 2,-0.5 -0.998 12.3-159.6-136.2 131.2 24.0 47.1 -13.6 49 48 A V E -B 59 0B 28 -2,-0.4 2,-0.5 10,-0.2 10,-0.2 -0.957 11.2-166.9-113.0 122.5 21.3 47.9 -10.9 50 49 A I E -B 58 0B 45 8,-2.8 8,-2.3 -2,-0.5 2,-0.7 -0.939 9.8-152.4-115.8 118.9 18.0 46.3 -11.4 51 50 A D E +B 57 0B 93 -2,-0.5 6,-0.2 6,-0.2 3,-0.1 -0.783 14.9 177.5 -89.6 113.6 14.9 47.4 -9.5 52 51 A H - 0 0 50 4,-2.8 5,-0.2 -2,-0.7 -1,-0.1 0.407 52.2-105.1 -94.3 0.4 12.5 44.5 -9.1 53 52 A G S > S+ 0 0 20 3,-0.4 3,-1.9 -3,-0.0 -1,-0.2 0.152 89.9 45.8 93.8 151.9 10.2 46.6 -7.0 54 53 A D T 3 S- 0 0 121 1,-0.3 3,-0.1 -3,-0.1 -25,-0.1 0.786 133.3 -45.2 51.4 37.1 9.2 47.0 -3.4 55 54 A G T 3 S+ 0 0 7 -27,-0.3 2,-1.0 1,-0.2 -1,-0.3 0.459 105.4 124.3 91.3 -0.9 12.7 46.9 -2.0 56 55 A A < + 0 0 0 -3,-1.9 -4,-2.8 74,-0.1 2,-0.4 -0.818 36.2 157.4 -95.3 97.4 13.9 43.9 -4.1 57 56 A V E -B 51 0B 0 -2,-1.0 2,-0.3 -6,-0.2 -6,-0.2 -0.963 23.5-162.0-127.3 141.6 16.9 45.4 -5.9 58 57 A S E -B 50 0B 4 -8,-2.3 -8,-2.8 -2,-0.4 2,-0.5 -0.926 9.6-159.5-123.8 147.3 20.0 43.7 -7.4 59 58 A L E -BC 49 127B 0 68,-2.3 68,-3.0 -2,-0.3 2,-0.6 -0.979 12.8-169.5-124.5 113.2 23.4 45.0 -8.4 60 59 A Y E +BC 48 126B 27 -12,-2.7 -12,-2.2 -2,-0.5 2,-0.4 -0.928 8.9 179.7-106.4 120.3 25.2 42.7 -10.9 61 60 A A E -BC 47 125B 0 64,-3.0 64,-3.0 -2,-0.6 2,-0.4 -0.986 5.4-176.7-126.6 132.7 28.8 43.5 -11.5 62 61 A V E -BC 46 124B 29 -16,-2.2 -16,-3.0 -2,-0.4 2,-0.5 -0.992 7.5-174.6-133.2 130.3 31.2 41.8 -13.8 63 62 A R E - C 0 123B 14 60,-3.1 60,-2.2 -2,-0.4 -18,-0.1 -0.985 64.1 -34.0-123.2 119.8 35.0 42.4 -14.4 64 63 A G S S- 0 0 51 -2,-0.5 -18,-0.1 -20,-0.3 57,-0.1 -0.435 105.1 -45.2 73.2-143.6 36.7 40.4 -17.1 65 64 A T - 0 0 103 -2,-0.1 -1,-0.2 -3,-0.0 57,-0.1 -0.536 69.0-176.8-125.9 65.0 35.5 36.8 -17.8 66 65 A P - 0 0 20 0, 0.0 57,-0.1 0, 0.0 -2,-0.0 -0.236 23.7-153.0 -63.4 149.4 35.1 35.2 -14.3 67 66 A K S S+ 0 0 98 82,-0.1 83,-2.6 55,-0.1 84,-1.0 0.608 77.7 58.6 -95.9 -15.6 34.2 31.6 -14.0 68 67 A Y E -d 151 0B 55 81,-0.2 56,-0.4 82,-0.2 2,-0.4 -0.871 67.0-148.8-119.0 150.9 32.6 32.0 -10.6 69 68 A L E -d 152 0B 0 82,-2.1 84,-3.1 -2,-0.3 2,-0.6 -0.958 6.1-155.0-118.2 131.7 29.8 34.2 -9.3 70 69 A F E -de 153 125B 7 54,-2.5 56,-2.6 -2,-0.4 2,-0.5 -0.938 11.6-167.6-106.2 121.2 29.7 35.6 -5.7 71 70 A N E +de 154 126B 2 82,-2.7 84,-2.7 -2,-0.6 2,-0.4 -0.930 9.9 173.2-109.9 131.8 26.2 36.3 -4.4 72 71 A V E - e 0 127B 1 54,-2.1 56,-1.5 -2,-0.5 2,-0.3 -0.984 24.8-138.5-138.8 124.5 25.7 38.3 -1.2 73 72 A H E - e 0 128B 2 82,-0.4 56,-0.2 -2,-0.4 36,-0.2 -0.657 9.2-162.9 -82.8 139.0 22.4 39.6 0.1 74 73 A L + 0 0 0 54,-3.6 55,-0.2 -2,-0.3 -1,-0.1 0.557 58.7 95.8 -98.1 -12.9 22.5 43.1 1.5 75 74 A D - 0 0 0 53,-0.3 2,-0.3 30,-0.0 -53,-0.2 -0.425 58.0-158.0 -76.2 156.8 19.4 43.2 3.5 76 75 A T B -a 22 0A 1 -55,-1.9 -53,-2.3 53,-0.1 -50,-0.1 -0.813 24.0 -97.9-126.7 168.2 19.5 42.4 7.2 77 76 A V - 0 0 20 27,-0.3 -56,-0.1 -2,-0.3 -1,-0.1 -0.351 57.8 -80.4 -78.3 168.7 17.0 41.2 9.7 78 77 A P - 0 0 64 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.259 54.6-105.8 -65.9 163.7 15.3 43.8 11.9 79 78 A D - 0 0 49 -3,-0.1 259,-0.1 21,-0.1 3,-0.1 -0.272 53.0 -20.8 -86.4 174.7 17.2 45.1 14.9 80 79 A S - 0 0 55 257,-0.1 2,-0.1 1,-0.1 4,-0.0 0.178 6.2-176.5 49.3-174.1 16.8 44.4 18.6 81 80 A P S S+ 0 0 100 0, 0.0 257,-0.2 0, 0.0 -1,-0.1 0.550 107.8 5.4 -74.9 155.7 15.4 43.6 21.1 82 81 A H S S+ 0 0 163 1,-0.2 2,-0.2 -2,-0.1 256,-0.0 0.583 74.8 163.0 85.1 14.6 18.2 44.4 23.5 83 82 A W - 0 0 28 1,-0.2 -1,-0.2 255,-0.1 255,-0.1 -0.478 31.6-148.5 -65.1 133.9 20.9 46.1 21.4 84 83 A S S S+ 0 0 86 -2,-0.2 2,-0.3 2,-0.1 -1,-0.2 0.565 75.5 8.7 -81.1 -8.5 23.3 47.9 23.7 85 84 A A S S- 0 0 37 6,-0.0 254,-0.2 4,-0.0 6,-0.1 -0.964 108.8 -47.7-159.9 170.6 24.0 50.6 21.1 86 85 A D > - 0 0 90 -2,-0.3 3,-1.7 1,-0.2 14,-0.1 -0.224 46.2-148.5 -48.2 115.9 22.9 51.9 17.7 87 86 A P T 3 S+ 0 0 14 0, 0.0 13,-3.0 0, 0.0 -1,-0.2 0.726 95.6 54.6 -61.9 -21.9 22.7 48.8 15.5 88 87 A H T 3 S+ 0 0 29 11,-0.2 2,-0.6 1,-0.1 -2,-0.1 0.329 91.7 78.4 -96.4 7.2 23.7 50.9 12.4 89 88 A V S < S- 0 0 79 -3,-1.7 -1,-0.1 -72,-0.0 -74,-0.1 -0.915 83.1-135.9-116.6 100.2 26.9 52.3 14.0 90 89 A M - 0 0 20 -2,-0.6 2,-0.3 -76,-0.3 9,-0.2 -0.321 20.3-159.2 -59.3 131.1 29.5 49.6 13.8 91 90 A R E -H 98 0C 62 7,-2.6 7,-2.8 -4,-0.1 2,-0.4 -0.789 1.8-149.2-110.1 156.4 31.5 49.2 17.0 92 91 A R E +H 97 0C 145 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.983 13.9 179.1-133.6 139.4 34.9 47.6 17.3 93 92 A T - 0 0 50 3,-3.2 3,-0.1 -2,-0.4 5,-0.0 -0.613 53.0 -81.6-120.0-176.3 36.7 45.7 20.1 94 93 A E S S+ 0 0 182 -2,-0.2 3,-0.1 1,-0.2 -2,-0.0 0.804 126.5 15.9 -60.2 -30.1 40.1 44.1 20.2 95 94 A D S S+ 0 0 88 1,-0.1 249,-2.5 249,-0.1 250,-0.5 0.390 125.1 24.0-127.8 4.4 39.0 41.0 18.4 96 95 A R E - I 0 343C 77 247,-0.3 -3,-3.2 248,-0.1 2,-0.3 -0.986 58.4-124.7-161.3 169.7 35.6 41.7 16.7 97 96 A V E -HI 92 342C 0 245,-2.2 245,-1.6 -2,-0.3 2,-0.4 -0.915 20.9-150.0-121.5 150.2 33.2 44.2 15.3 98 97 A I E +HI 91 341C 15 -7,-2.8 -7,-2.6 -2,-0.3 2,-0.2 -0.966 36.4 111.4-124.5 135.5 29.5 44.7 16.2 99 98 A G > - 0 0 0 241,-2.2 3,-2.0 -2,-0.4 4,-0.4 -0.843 69.7 -70.4 169.9 154.9 26.7 45.9 14.1 100 99 A L T 3 S+ 0 0 3 -13,-3.0 -21,-0.1 1,-0.3 -10,-0.1 -0.454 120.8 5.7 -64.2 117.5 23.4 44.9 12.4 101 100 A G T 3 >S+ 0 0 0 -2,-0.4 5,-2.3 4,-0.1 6,-0.8 0.440 87.4 122.7 90.6 -0.3 24.5 42.6 9.6 102 101 A V T < 5S+ 0 0 0 -3,-2.0 5,-0.5 4,-0.2 3,-0.2 0.858 91.5 27.1 -62.6 -31.6 28.2 42.3 10.3 103 102 A C T 5S+ 0 0 1 -4,-0.4 2,-0.4 1,-0.2 -1,-0.2 0.817 116.7 63.5 -95.8 -39.8 27.8 38.5 10.6 104 103 A D T 5S- 0 0 6 230,-0.1 -27,-0.3 1,-0.1 -1,-0.2 -0.814 127.9 -62.3-129.1 91.6 24.8 38.0 8.3 105 104 A I T >>5S+ 0 0 0 -2,-0.4 3,-1.1 -3,-0.2 4,-1.1 -0.839 110.3 93.4-147.6 31.2 26.1 39.0 5.9 106 105 A K H 3> S+ 0 0 0 -6,-0.8 4,-1.9 -5,-0.5 -1,-0.3 0.896 98.5 48.0 -60.7 -38.8 30.9 41.2 6.3 108 107 A A H <> S+ 0 0 0 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.881 110.5 51.2 -68.1 -39.7 31.2 39.1 3.2 109 108 A A H X S+ 0 0 0 -4,-1.1 4,-2.3 2,-0.2 -2,-0.2 0.917 109.7 50.0 -63.7 -43.4 30.2 42.0 1.0 110 109 A A H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.894 111.5 48.7 -62.0 -41.9 32.8 44.3 2.6 111 110 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.909 110.7 50.0 -65.9 -43.9 35.5 41.7 2.0 112 111 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.889 111.5 48.8 -63.2 -38.6 34.5 41.2 -1.6 113 112 A V H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.901 109.5 53.0 -67.5 -38.3 34.6 44.9 -2.2 114 113 A A H < S+ 0 0 2 -4,-2.2 3,-0.3 1,-0.2 4,-0.3 0.937 109.8 48.1 -61.0 -44.8 38.0 45.1 -0.5 115 114 A A H >X S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 4,-0.6 0.890 106.8 56.2 -62.8 -39.5 39.3 42.4 -2.9 116 115 A A H 3< S+ 0 0 1 -4,-2.1 3,-0.3 1,-0.3 -1,-0.2 0.834 111.5 44.9 -61.4 -31.0 37.8 44.2 -5.9 117 116 A N T 3< S+ 0 0 71 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.372 106.0 60.5 -94.3 3.2 39.9 47.2 -4.8 118 117 A A T <4 S- 0 0 62 -3,-1.4 2,-0.3 -4,-0.3 -1,-0.2 0.418 119.3 -4.0-108.7 -2.2 43.1 45.3 -4.1 119 118 A G < - 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