==== 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 HYDROLASE 27-APR-05 1ZIC . COMPND 2 MOLECULE: CARBOXYMETHYLENEBUTENOLIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR H.-K.KIM,J.-W.LIU,P.D.CARR,D.L.OLLIS . 233 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10478.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 165 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 12.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.3 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 0.4 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 . 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 . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 14.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 29.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 0 0 0 0 0 1 2 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 0 0 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 1 A M 0 0 63 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 140.0 20.5 33.1 7.9 2 2 A L - 0 0 57 17,-0.1 2,-0.7 16,-0.1 17,-0.3 -0.861 360.0 -97.8-131.3 164.4 21.1 33.0 11.6 3 3 A T > - 0 0 48 15,-2.4 3,-1.7 -2,-0.3 15,-0.4 -0.752 47.6-116.7 -83.6 120.5 24.0 32.0 13.8 4 4 A E T 3 S+ 0 0 192 -2,-0.7 3,-0.1 1,-0.2 -1,-0.1 -0.227 94.2 19.3 -58.5 141.4 23.3 28.4 15.1 5 5 A G T 3 S+ 0 0 84 1,-0.3 2,-0.5 -3,-0.0 -1,-0.2 0.261 86.9 126.4 86.3 -13.7 23.0 28.2 18.8 6 6 A I < + 0 0 42 -3,-1.7 2,-0.3 12,-0.2 12,-0.3 -0.688 31.7 170.2 -85.2 127.7 22.3 31.8 19.5 7 7 A S - 0 0 72 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -1.000 12.4-173.6-138.9 135.5 19.1 32.3 21.5 8 8 A I E -A 16 0A 7 8,-2.3 8,-2.6 -2,-0.3 2,-0.5 -0.977 15.0-141.9-130.0 143.8 17.7 35.5 23.2 9 9 A Q E -A 15 0A 117 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.927 7.9-143.6-115.9 132.3 14.7 35.7 25.5 10 10 A S > - 0 0 8 4,-3.4 3,-2.5 -2,-0.5 89,-0.1 -0.407 34.4-100.4 -85.7 161.4 12.2 38.5 25.6 11 11 A Y T 3 S+ 0 0 220 87,-0.3 -1,-0.1 1,-0.3 88,-0.0 0.847 122.8 55.2 -49.3 -38.2 10.5 39.8 28.7 12 12 A D T 3 S- 0 0 97 1,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.437 123.3-102.6 -80.3 6.5 7.4 37.8 28.0 13 13 A G S < S+ 0 0 34 -3,-2.5 -2,-0.1 1,-0.3 -1,-0.1 0.170 75.9 136.8 96.7 -17.6 9.3 34.6 27.7 14 14 A H - 0 0 43 -5,-0.1 -4,-3.4 1,-0.1 2,-0.3 -0.408 39.0-153.5 -66.0 135.7 9.5 34.3 23.9 15 15 A T E +A 9 0A 71 -6,-0.2 2,-0.3 50,-0.1 -6,-0.2 -0.861 15.8 175.6-110.8 152.3 12.9 33.2 22.5 16 16 A F E -A 8 0A 7 -8,-2.6 -8,-2.3 -2,-0.3 47,-0.1 -0.989 24.1-117.6-153.1 156.4 14.4 33.9 19.1 17 17 A G - 0 0 17 -2,-0.3 45,-2.9 -10,-0.2 2,-0.3 -0.147 25.7-165.4 -86.0 178.1 17.6 33.4 17.1 18 18 A A E -B 61 0B 0 -15,-0.4 -15,-2.4 -12,-0.3 2,-0.5 -0.977 26.2-114.8-160.6 160.0 20.0 36.1 15.6 19 19 A L E -B 60 0B 18 41,-2.3 41,-3.2 -17,-0.3 2,-0.4 -0.905 40.6-165.9 -99.4 124.9 22.8 36.5 13.2 20 20 A V E -B 59 0B 28 -2,-0.5 2,-0.4 39,-0.2 39,-0.2 -0.910 16.8-174.0-118.4 141.6 25.9 37.5 15.1 21 21 A G E -B 58 0B 13 37,-2.5 37,-2.9 -2,-0.4 -2,-0.0 -0.999 7.5-163.1-131.9 129.1 29.3 38.9 13.9 22 22 A S - 0 0 65 -2,-0.4 35,-0.2 35,-0.2 2,-0.1 -0.922 19.7-130.5-105.9 138.1 32.2 39.4 16.4 23 23 A P - 0 0 10 0, 0.0 30,-0.1 0, 0.0 34,-0.1 -0.444 21.9-113.0 -86.2 167.0 35.2 41.8 15.2 24 24 A A S S+ 0 0 112 28,-0.2 2,-0.7 1,-0.2 29,-0.1 0.835 106.7 57.6 -68.3 -30.0 38.8 40.8 15.5 25 25 A K S S- 0 0 181 31,-0.1 -1,-0.2 87,-0.0 87,-0.0 -0.867 88.9-151.0-103.7 112.3 39.5 43.3 18.1 26 26 A A + 0 0 54 -2,-0.7 2,-0.2 -4,-0.1 87,-0.1 -0.875 64.5 57.2-134.0 165.9 37.3 43.0 21.2 27 27 A P S S+ 0 0 79 0, 0.0 86,-0.2 0, 0.0 206,-0.2 0.540 77.3 156.4 -66.0 161.3 35.9 43.9 23.4 28 28 A A E -c 113 0B 4 84,-2.6 86,-1.6 -2,-0.2 87,-0.3 -0.948 49.2 -86.3-150.7 159.9 33.9 46.3 21.2 29 29 A P E - 0 0 2 0, 0.0 28,-2.4 0, 0.0 2,-0.5 -0.378 47.3-133.4 -66.5 152.5 30.6 48.2 21.2 30 30 A V E -cd 117 57B 0 86,-2.0 88,-2.3 26,-0.2 2,-0.6 -0.942 10.5-151.9-115.8 136.4 27.8 46.0 19.9 31 31 A I E -cd 118 58B 0 26,-3.0 28,-2.5 -2,-0.5 2,-0.5 -0.893 5.0-151.4-108.8 118.6 25.3 47.1 17.3 32 32 A V E -cd 119 59B 0 86,-2.9 88,-2.2 -2,-0.6 2,-0.5 -0.768 18.5-148.7 -82.4 132.0 21.8 45.4 17.3 33 33 A I E -c 120 0B 0 26,-2.6 2,-0.6 -2,-0.5 88,-0.2 -0.893 0.7-147.5-106.9 128.9 20.5 45.6 13.7 34 34 A A E -c 121 0B 0 86,-2.6 88,-2.2 -2,-0.5 91,-0.2 -0.809 25.7-127.7 -99.5 120.3 16.7 45.9 13.2 35 35 A Q - 0 0 0 -2,-0.6 90,-0.9 26,-0.4 5,-0.1 0.010 6.3-122.7 -61.3 166.7 15.6 44.2 10.0 36 36 A E > - 0 0 11 3,-0.4 3,-0.9 88,-0.2 87,-0.1 -0.083 55.2 -76.0 -86.6-164.6 13.6 45.3 7.0 37 37 A I T 3 S+ 0 0 9 1,-0.2 51,-0.2 -2,-0.1 50,-0.1 0.457 121.3 72.6 -81.0 5.4 10.4 43.4 6.1 38 38 A F T 3 S- 0 0 13 1,-0.3 35,-3.4 34,-0.1 -1,-0.2 0.399 96.8-125.9-102.7 7.8 12.4 40.4 4.5 39 39 A G B < -H 72 0C 1 -3,-0.9 2,-1.6 33,-0.2 -3,-0.4 -0.393 63.1 -24.2 81.1-162.9 13.7 38.9 7.7 40 40 A V S S+ 0 0 1 31,-1.3 -1,-0.1 -5,-0.1 2,-0.1 -0.624 95.0 144.3 -93.6 91.1 17.4 38.2 8.3 41 41 A N > - 0 0 6 -2,-1.6 4,-2.4 32,-0.1 3,-0.2 -0.177 64.8 -61.2-115.8-161.0 18.5 38.0 4.7 42 42 A A H > S+ 0 0 70 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.868 130.2 51.7 -60.6 -38.3 21.4 38.8 2.4 43 43 A F H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.885 110.7 48.3 -66.3 -36.1 21.2 42.6 3.1 44 44 A M H > S+ 0 0 0 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.913 110.4 51.8 -66.9 -37.8 21.2 41.9 6.9 45 45 A R H X S+ 0 0 152 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 110.9 48.6 -63.0 -38.5 24.2 39.6 6.4 46 46 A E H X S+ 0 0 94 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.859 109.6 51.8 -66.7 -40.5 25.9 42.4 4.5 47 47 A T H X S+ 0 0 3 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.901 109.3 49.9 -66.5 -38.3 25.1 45.0 7.3 48 48 A V H X S+ 0 0 12 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.951 112.2 48.6 -62.6 -45.8 26.6 42.7 9.9 49 49 A S H X S+ 0 0 49 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.925 110.0 51.1 -60.2 -46.7 29.7 42.4 7.7 50 50 A W H X S+ 0 0 37 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.947 113.7 44.9 -56.5 -50.1 30.0 46.2 7.2 51 51 A L H <>S+ 0 0 0 -4,-2.6 5,-2.6 1,-0.2 3,-0.5 0.898 112.0 49.8 -65.3 -39.3 29.8 46.8 10.9 52 52 A V H ><5S+ 0 0 32 -4,-2.9 3,-2.0 1,-0.3 -28,-0.2 0.911 108.5 54.1 -63.6 -43.1 32.2 44.1 11.9 53 53 A D H 3<5S+ 0 0 122 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.759 106.2 53.5 -63.2 -20.8 34.7 45.5 9.3 54 54 A Q T 3<5S- 0 0 84 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.303 129.2 -98.0 -94.0 6.6 34.3 48.9 11.0 55 55 A G T < 5S+ 0 0 31 -3,-2.0 2,-0.2 1,-0.3 -3,-0.2 0.607 84.7 117.9 91.3 16.1 35.2 47.3 14.3 56 56 A Y < - 0 0 3 -5,-2.6 2,-0.3 -6,-0.1 -1,-0.3 -0.664 60.8-126.4-105.5 160.5 31.8 46.8 15.9 57 57 A A E - d 0 30B 0 -28,-2.4 -26,-3.0 -2,-0.2 2,-0.4 -0.754 32.1-154.3 -94.7 160.9 30.2 43.5 16.9 58 58 A A E -Bd 21 31B 0 -37,-2.9 -37,-2.5 -2,-0.3 2,-0.4 -0.994 18.3-171.6-141.6 144.2 26.7 43.1 15.5 59 59 A V E -Bd 20 32B 0 -28,-2.5 -26,-2.6 -2,-0.4 -39,-0.2 -0.971 3.4-171.8-135.9 118.0 23.6 41.1 16.5 60 60 A C E -B 19 0B 0 -41,-3.2 -41,-2.3 -2,-0.4 -26,-0.1 -0.881 19.5-148.6-114.1 103.5 20.6 41.0 14.0 61 61 A P E -B 18 0B 0 0, 0.0 2,-1.8 0, 0.0 -26,-0.4 -0.315 20.5-113.9 -75.6 146.9 17.7 39.3 15.8 62 62 A D > + 0 0 3 -45,-2.9 3,-1.9 1,-0.2 4,-0.1 -0.608 39.4 175.1 -77.4 84.0 15.0 37.2 14.1 63 63 A L G > S+ 0 0 1 -2,-1.8 3,-0.6 1,-0.3 -1,-0.2 0.708 74.5 60.9 -66.6 -20.9 12.1 39.6 14.7 64 64 A Y G >> S+ 0 0 0 1,-0.2 4,-3.3 7,-0.2 3,-1.8 0.443 73.0 102.3 -87.5 9.6 9.8 37.5 12.6 65 65 A A G <4 S+ 0 0 11 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.692 72.5 62.3 -67.0 -19.6 10.3 34.5 15.0 66 66 A R G <4 S+ 0 0 84 -3,-0.6 -1,-0.3 2,-0.2 -2,-0.1 0.723 120.1 25.1 -74.8 -17.2 6.9 35.2 16.6 67 67 A Q T <4 S- 0 0 71 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.1 0.803 144.7 -10.4-109.1 -43.9 5.3 34.5 13.3 68 68 A A S >< S- 0 0 31 -4,-3.3 3,-1.2 3,-0.0 -2,-0.2 -0.622 73.1-135.7-166.1 90.7 7.7 32.2 11.3 69 69 A P T 3 S+ 0 0 101 0, 0.0 -4,-0.1 0, 0.0 -6,-0.1 -0.166 84.9 21.3 -53.7 142.3 11.1 31.6 12.7 70 70 A G T 3 S+ 0 0 44 1,-0.2 2,-0.2 -69,-0.0 -68,-0.0 0.623 76.4 165.6 76.5 15.8 14.0 31.8 10.3 71 71 A T < + 0 0 19 -3,-1.2 -31,-1.3 1,-0.0 2,-0.3 -0.451 3.4 165.3 -66.2 127.9 12.3 33.8 7.6 72 72 A A B -H 39 0C 41 -2,-0.2 2,-0.3 -33,-0.2 -33,-0.2 -0.804 17.2-166.6-144.5 98.7 14.9 35.2 5.1 73 73 A L - 0 0 18 -35,-3.4 -31,-0.2 -2,-0.3 -32,-0.1 -0.698 20.8-128.3-100.0 142.6 13.2 36.4 1.9 74 74 A D > - 0 0 70 -2,-0.3 3,-1.6 1,-0.1 6,-0.2 -0.719 13.3-155.8 -85.8 111.7 14.8 37.3 -1.4 75 75 A P T 3 S+ 0 0 42 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 0.649 91.7 62.4 -64.8 -12.4 13.7 40.7 -2.4 76 76 A Q T 3 S+ 0 0 174 1,-0.0 2,-0.6 133,-0.0 -2,-0.0 0.683 88.4 83.1 -82.9 -14.5 14.3 40.0 -6.1 77 77 A D <> - 0 0 21 -3,-1.6 4,-2.4 1,-0.2 3,-0.3 -0.790 69.7-152.7 -95.3 114.9 11.7 37.2 -6.0 78 78 A E H > S+ 0 0 151 -2,-0.6 4,-2.0 1,-0.2 5,-0.2 0.865 95.0 51.5 -53.6 -44.0 8.1 38.5 -6.5 79 79 A R H > S+ 0 0 195 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.898 111.4 47.2 -62.9 -40.2 6.5 35.6 -4.5 80 80 A Q H > S+ 0 0 66 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.844 107.9 55.7 -73.2 -33.0 8.9 36.2 -1.6 81 81 A R H X S+ 0 0 87 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.901 106.6 51.3 -63.0 -40.0 8.2 39.9 -1.7 82 82 A E H X S+ 0 0 134 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.916 110.0 49.5 -61.6 -40.9 4.5 39.1 -1.4 83 83 A Q H X S+ 0 0 76 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.901 108.7 53.4 -61.0 -41.4 5.3 37.0 1.6 84 84 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.925 108.5 48.6 -61.4 -44.3 7.3 39.8 3.1 85 85 A Y H X S+ 0 0 105 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.906 110.5 51.7 -66.4 -36.8 4.4 42.3 2.8 86 86 A K H X S+ 0 0 150 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.920 111.6 46.3 -61.5 -45.3 2.0 39.7 4.4 87 87 A L H X S+ 0 0 14 -4,-2.5 4,-0.7 2,-0.2 -2,-0.2 0.883 112.3 51.6 -65.6 -37.6 4.4 39.2 7.4 88 88 A W H >< S+ 0 0 62 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.945 106.4 52.6 -65.5 -42.0 4.9 43.0 7.8 89 89 A Q H 3< S+ 0 0 168 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.868 114.8 43.0 -63.1 -32.2 1.1 43.6 7.8 90 90 A A H 3< S+ 0 0 70 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.522 87.5 125.8 -89.2 -2.2 0.8 41.1 10.7 91 91 A F << - 0 0 21 -3,-1.1 2,-1.0 -4,-0.7 3,-0.1 -0.292 58.5-138.0 -69.5 129.8 3.8 42.3 12.5 92 92 A D > - 0 0 92 1,-0.2 4,-2.0 -2,-0.1 5,-0.1 -0.740 16.1-167.9 -84.9 105.7 3.3 43.2 16.2 93 93 A M H > S+ 0 0 59 -2,-1.0 4,-2.2 1,-0.2 5,-0.2 0.889 84.3 50.8 -63.7 -41.5 5.3 46.4 16.6 94 94 A E H > S+ 0 0 166 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 111.1 48.3 -62.3 -42.4 5.2 46.5 20.3 95 95 A A H > S+ 0 0 14 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.859 109.6 55.4 -65.6 -32.5 6.4 42.9 20.6 96 96 A G H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.905 107.0 48.3 -64.7 -44.5 9.2 43.9 18.1 97 97 A V H X S+ 0 0 8 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.931 111.8 51.2 -60.9 -42.7 10.3 46.7 20.3 98 98 A G H X S+ 0 0 23 -4,-2.4 4,-2.0 2,-0.2 -87,-0.3 0.888 109.5 48.4 -63.2 -38.9 10.3 44.3 23.2 99 99 A D H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.897 111.9 49.3 -68.3 -37.6 12.4 41.7 21.3 100 100 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.918 107.4 55.3 -67.2 -38.3 14.9 44.4 20.3 101 101 A E H X S+ 0 0 36 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.908 109.9 47.7 -56.1 -43.0 15.0 45.5 24.0 102 102 A A H X S+ 0 0 1 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.867 110.6 50.0 -66.6 -39.1 16.0 41.9 24.8 103 103 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.864 109.7 51.6 -68.7 -33.0 18.6 41.8 22.1 104 104 A I H X S+ 0 0 2 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.904 110.1 48.7 -68.6 -43.8 20.1 45.1 23.4 105 105 A R H >< S+ 0 0 113 -4,-2.2 3,-1.0 1,-0.2 4,-0.4 0.908 111.7 49.6 -61.6 -45.2 20.3 43.6 26.9 106 106 A Y H >< S+ 0 0 32 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.908 105.6 58.4 -56.4 -43.1 22.0 40.5 25.5 107 107 A A H 3< S+ 0 0 0 -4,-2.2 3,-0.5 1,-0.3 8,-0.4 0.644 93.4 68.5 -66.6 -14.0 24.4 42.7 23.6 108 108 A R T << S+ 0 0 78 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.761 109.5 29.0 -77.0 -21.3 25.6 44.3 26.8 109 109 A H S < S+ 0 0 127 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.1 -0.111 78.2 123.4-137.7 37.3 27.3 41.2 28.1 110 110 A Q S > S- 0 0 39 -3,-0.5 3,-1.6 1,-0.1 5,-0.1 -0.525 76.9 -98.5 -85.8 170.8 28.6 38.9 25.5 111 111 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 -85,-0.0 0.854 126.2 45.0 -57.0 -37.1 32.3 37.9 25.6 112 112 A Y T 3 S+ 0 0 23 -85,-0.1 -84,-2.6 -86,-0.1 2,-0.2 0.433 90.7 114.6 -86.8 -1.2 33.0 40.5 22.9 113 113 A S E < -c 28 0B 18 -3,-1.6 -5,-0.1 -86,-0.2 4,-0.1 -0.481 46.1-168.3 -77.3 137.5 30.9 43.3 24.5 114 114 A N E - 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