==== 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 1ZIX . 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) . 10378.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 73.0 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 . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 30.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 3 1 0 1 1 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 64 0, 0.0 2,-0.3 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 143.6 20.5 33.0 7.8 2 2 A L - 0 0 57 17,-0.1 2,-0.7 16,-0.1 17,-0.3 -0.861 360.0 -97.5-132.9 164.6 21.1 32.9 11.5 3 3 A T > - 0 0 48 15,-2.4 3,-1.8 -2,-0.3 15,-0.4 -0.753 49.0-114.0 -84.0 120.7 24.0 31.8 13.7 4 4 A E T 3 S+ 0 0 193 -2,-0.7 3,-0.1 1,-0.2 -1,-0.1 -0.197 93.9 16.4 -56.5 137.9 23.3 28.2 14.9 5 5 A G T 3 S+ 0 0 83 1,-0.2 2,-0.5 -3,-0.0 -1,-0.2 0.213 86.3 128.3 87.6 -14.7 22.8 27.9 18.6 6 6 A I < + 0 0 44 -3,-1.8 2,-0.4 12,-0.2 12,-0.3 -0.707 30.4 171.8 -81.2 133.4 22.2 31.5 19.4 7 7 A S - 0 0 75 -2,-0.5 2,-0.4 10,-0.2 10,-0.2 -0.999 12.6-172.6-142.0 128.8 19.0 32.0 21.5 8 8 A I E -A 16 0A 7 8,-2.5 8,-2.3 -2,-0.4 2,-0.5 -0.977 15.6-141.5-126.8 138.3 17.7 35.1 23.1 9 9 A Q E -A 15 0A 136 -2,-0.4 6,-0.2 6,-0.2 5,-0.1 -0.838 11.9-146.0-105.6 131.3 14.7 35.3 25.4 10 10 A S > - 0 0 8 4,-3.0 3,-2.4 -2,-0.5 89,-0.1 -0.318 34.5 -93.9 -88.2 168.2 12.3 38.1 25.3 11 11 A Y T 3 S+ 0 0 225 1,-0.3 -1,-0.1 87,-0.3 88,-0.0 0.859 125.3 48.7 -55.5 -32.3 10.3 39.6 28.4 12 12 A D T 3 S- 0 0 95 2,-0.1 -1,-0.3 1,-0.1 3,-0.1 0.298 122.9-102.1 -90.3 9.7 7.3 37.4 27.7 13 13 A G S < S+ 0 0 35 -3,-2.4 -2,-0.1 1,-0.3 -1,-0.1 0.236 75.5 135.9 93.8 -18.8 9.3 34.2 27.3 14 14 A H - 0 0 43 -5,-0.1 -4,-3.0 1,-0.0 2,-0.3 -0.448 41.2-150.6 -63.5 142.7 9.4 33.9 23.6 15 15 A T E +A 9 0A 71 -6,-0.2 2,-0.3 50,-0.1 -6,-0.2 -0.854 17.3 176.3-116.4 155.9 12.8 32.9 22.3 16 16 A F E -A 8 0A 6 -8,-2.3 -8,-2.5 -2,-0.3 47,-0.1 -0.986 22.5-120.4-155.3 154.9 14.4 33.8 18.9 17 17 A G - 0 0 14 -2,-0.3 45,-2.8 -10,-0.2 2,-0.3 -0.178 23.0-160.6 -88.3-178.7 17.7 33.3 17.1 18 18 A A E -B 61 0B 0 -15,-0.4 -15,-2.4 -12,-0.3 2,-0.5 -0.966 25.3-117.0-159.2 161.3 20.1 35.9 15.6 19 19 A L E -B 60 0B 11 41,-2.2 41,-3.1 -17,-0.3 2,-0.4 -0.898 41.8-167.1-102.0 124.8 22.9 36.3 13.1 20 20 A V E -B 59 0B 27 -2,-0.5 2,-0.5 39,-0.2 39,-0.2 -0.916 19.2-169.1-121.8 142.1 25.9 37.4 15.1 21 21 A G E -B 58 0B 13 37,-2.7 37,-2.4 -2,-0.4 -2,-0.0 -0.987 17.8-149.0-124.1 113.6 29.3 38.8 13.9 22 22 A S - 0 0 75 -2,-0.5 34,-0.1 35,-0.2 35,-0.1 -0.539 31.4 -97.0 -77.6 164.5 32.0 38.8 16.7 23 23 A P - 0 0 16 0, 0.0 3,-0.1 0, 0.0 34,-0.1 -0.292 13.9-123.4 -86.3 153.0 34.5 41.6 16.5 24 24 A A S S+ 0 0 86 28,-0.5 2,-0.4 32,-0.3 29,-0.1 0.934 104.8 19.5 -53.1 -46.3 38.0 41.6 15.0 25 25 A K S S- 0 0 166 30,-0.1 -1,-0.2 31,-0.1 87,-0.0 -0.997 97.2-105.9-128.7 133.4 39.3 42.8 18.4 26 26 A A S S+ 0 0 54 -2,-0.4 2,-0.1 -3,-0.1 87,-0.1 -0.771 85.8 42.4-116.8 157.0 37.5 42.6 21.7 27 27 A P S S+ 0 0 96 0, 0.0 86,-0.2 0, 0.0 85,-0.1 0.632 78.2 156.9 -76.6 159.5 36.0 44.0 23.7 28 28 A A E -c 113 0B 4 84,-2.7 86,-1.8 -2,-0.1 87,-0.4 -0.949 47.8 -95.8-146.2 154.5 34.0 46.1 21.3 29 29 A P E - 0 0 3 0, 0.0 28,-2.1 0, 0.0 2,-0.4 -0.490 43.7-133.1 -69.4 156.5 30.7 47.9 21.3 30 30 A V E -cd 117 57B 0 86,-2.0 88,-1.9 26,-0.2 2,-0.6 -0.952 10.9-151.9-118.4 134.0 27.9 45.8 19.9 31 31 A I E -cd 118 58B 0 26,-2.8 28,-2.3 -2,-0.4 2,-0.5 -0.906 4.7-151.8-110.1 123.3 25.4 47.0 17.3 32 32 A V E -cd 119 59B 0 86,-2.7 88,-2.2 -2,-0.6 2,-0.5 -0.772 16.2-150.0 -88.4 129.8 21.9 45.3 17.3 33 33 A I E -c 120 0B 0 26,-2.2 2,-0.6 -2,-0.5 88,-0.2 -0.921 1.1-147.7-106.8 129.0 20.6 45.6 13.7 34 34 A A E -c 121 0B 0 86,-2.4 88,-1.7 -2,-0.5 91,-0.2 -0.836 27.1-126.4 -97.9 117.4 16.8 45.8 13.3 35 35 A Q - 0 0 0 -2,-0.6 90,-0.8 26,-0.4 2,-0.2 0.004 8.1-121.3 -60.5 157.5 15.8 44.1 10.0 36 36 A D > - 0 0 10 3,-0.5 3,-1.1 88,-0.2 87,-0.1 -0.397 51.2 -78.2 -72.3-161.5 13.9 45.3 7.2 37 37 A I T 3 S+ 0 0 9 1,-0.3 51,-0.2 -2,-0.2 50,-0.1 0.389 122.5 71.6 -78.3 -7.4 10.6 43.4 6.1 38 38 A F T 3 S- 0 0 11 1,-0.3 35,-3.2 34,-0.1 -1,-0.3 0.452 99.1-130.3 -95.7 4.6 12.6 40.7 4.4 39 39 A G B < -H 72 0C 0 -3,-1.1 2,-1.3 33,-0.2 -3,-0.5 -0.478 57.4 -25.6 82.5-163.1 13.9 39.1 7.5 40 40 A V S S+ 0 0 1 31,-1.4 2,-0.1 -2,-0.1 -1,-0.1 -0.720 95.5 138.6 -92.1 88.4 17.5 38.2 8.3 41 41 A N > - 0 0 6 -2,-1.3 4,-2.3 32,-0.1 3,-0.4 -0.228 68.6 -57.6-121.1-158.8 18.7 37.9 4.7 42 42 A A H > S+ 0 0 73 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.851 129.9 53.1 -58.8 -38.7 21.6 38.7 2.5 43 43 A F H > S+ 0 0 19 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.872 110.3 49.1 -66.1 -33.0 21.4 42.5 3.1 44 44 A M H > S+ 0 0 0 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.913 109.4 51.2 -72.2 -38.0 21.6 41.8 6.9 45 45 A R H X S+ 0 0 134 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.909 111.3 48.6 -60.7 -43.9 24.6 39.5 6.4 46 46 A E H X S+ 0 0 100 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.883 111.1 50.4 -61.8 -35.9 26.2 42.4 4.4 47 47 A T H X S+ 0 0 3 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.900 109.9 49.4 -72.9 -38.3 25.3 44.9 7.2 48 48 A V H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.941 112.6 49.3 -63.3 -42.4 26.8 42.6 9.9 49 49 A S H X S+ 0 0 49 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.912 109.7 50.5 -60.8 -45.6 29.9 42.3 7.6 50 50 A W H X S+ 0 0 42 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.938 113.0 45.8 -56.9 -50.4 30.2 46.1 7.2 51 51 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.5 0.877 110.7 51.2 -67.1 -38.6 30.0 46.7 10.9 52 52 A V H ><5S+ 0 0 28 -4,-2.7 3,-1.7 1,-0.2 -28,-0.5 0.902 107.6 54.0 -63.7 -37.6 32.4 44.1 11.9 53 53 A D H 3<5S+ 0 0 126 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.667 106.3 53.9 -66.8 -21.7 34.9 45.5 9.3 54 54 A Q T <<5S- 0 0 93 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.238 130.1 -94.2 -93.6 7.2 34.5 48.9 11.0 55 55 A G T < 5S+ 0 0 30 -3,-1.7 -3,-0.2 1,-0.3 2,-0.2 0.544 86.5 115.0 94.9 13.3 35.4 47.5 14.4 56 56 A Y < - 0 0 4 -5,-2.6 2,-0.3 -28,-0.1 -32,-0.3 -0.556 59.6-130.0-107.8 166.0 32.0 46.6 16.0 57 57 A A E - d 0 30B 0 -28,-2.1 -26,-2.8 -2,-0.2 2,-0.3 -0.835 32.5-155.0-101.0 162.4 30.4 43.3 16.9 58 58 A A E -Bd 21 31B 0 -37,-2.4 -37,-2.7 -2,-0.3 2,-0.4 -0.990 18.7-168.6-144.8 145.7 26.9 42.9 15.5 59 59 A V E -Bd 20 32B 0 -28,-2.3 -26,-2.2 -2,-0.3 -39,-0.2 -0.972 3.4-171.4-132.2 117.4 23.7 41.0 16.5 60 60 A C E -B 19 0B 0 -41,-3.1 -41,-2.2 -2,-0.4 -26,-0.1 -0.894 19.1-150.3-113.1 101.9 20.8 40.8 14.0 61 61 A P E -B 18 0B 0 0, 0.0 2,-1.8 0, 0.0 -26,-0.4 -0.305 21.4-113.0 -75.6 149.2 17.7 39.2 15.8 62 62 A D > + 0 0 3 -45,-2.8 3,-1.7 1,-0.2 4,-0.2 -0.598 39.2 173.8 -77.9 87.0 15.1 37.2 14.1 63 63 A L G > S+ 0 0 1 -2,-1.8 3,-0.7 1,-0.3 -1,-0.2 0.755 74.1 60.4 -71.9 -20.3 12.2 39.6 14.6 64 64 A Y G >> S+ 0 0 0 1,-0.2 4,-3.8 7,-0.2 3,-1.8 0.415 73.8 101.3 -83.2 6.5 9.8 37.4 12.5 65 65 A A G <4 S+ 0 0 11 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.748 71.6 62.9 -66.2 -18.7 10.2 34.4 14.8 66 66 A R G <4 S+ 0 0 83 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.1 0.743 121.2 22.8 -73.8 -18.5 6.9 35.1 16.4 67 67 A Q T <4 S- 0 0 70 -3,-1.8 -2,-0.2 -4,-0.1 -1,-0.1 0.763 145.4 -7.2-111.5 -38.3 5.2 34.5 13.1 68 68 A A S >< S- 0 0 27 -4,-3.8 3,-1.2 3,-0.0 -2,-0.2 -0.496 73.5-136.5-169.3 82.7 7.7 32.3 11.1 69 69 A P T 3 S+ 0 0 103 0, 0.0 -4,-0.1 0, 0.0 -6,-0.0 -0.054 84.1 17.1 -50.0 141.3 11.1 31.6 12.5 70 70 A G T 3 S+ 0 0 41 1,-0.2 2,-0.1 -69,-0.1 -68,-0.0 0.601 78.2 166.3 74.7 17.6 14.1 31.9 10.1 71 71 A T < + 0 0 18 -3,-1.2 -31,-1.4 1,-0.0 2,-0.3 -0.390 3.3 167.2 -64.8 128.1 12.3 33.8 7.4 72 72 A A B -H 39 0C 42 -33,-0.2 2,-0.3 -2,-0.1 -33,-0.2 -0.810 14.6-168.3-148.3 102.3 14.9 35.2 5.0 73 73 A L - 0 0 11 -35,-3.2 -31,-0.1 -2,-0.3 -32,-0.1 -0.750 21.9-128.5-106.3 146.6 13.5 36.6 1.8 74 74 A D > - 0 0 69 -2,-0.3 3,-1.7 1,-0.1 6,-0.2 -0.729 11.9-156.2 -90.4 117.8 15.0 37.6 -1.5 75 75 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 6,-0.0 0.614 91.7 63.6 -71.2 -7.3 13.7 41.1 -2.4 76 76 A Q T 3 S+ 0 0 148 133,-0.0 2,-0.5 1,-0.0 -2,-0.0 0.717 88.3 82.7 -86.1 -14.6 14.4 40.4 -6.1 77 77 A D S <> S- 0 0 61 -3,-1.7 4,-2.6 1,-0.2 3,-0.4 -0.750 70.4-150.0 -97.0 124.9 11.7 37.5 -6.1 78 78 A E H > S+ 0 0 154 -2,-0.5 4,-2.1 1,-0.3 5,-0.2 0.859 95.0 50.9 -55.7 -45.0 8.2 38.7 -6.6 79 79 A R H > S+ 0 0 130 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.894 111.2 46.8 -66.3 -36.0 6.6 35.9 -4.6 80 80 A Q H > S+ 0 0 47 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.816 108.1 56.6 -78.0 -28.9 8.9 36.4 -1.6 81 81 A R H X S+ 0 0 77 -4,-2.6 4,-2.8 2,-0.2 -1,-0.2 0.921 107.2 50.0 -63.0 -39.8 8.3 40.2 -1.7 82 82 A E H X S+ 0 0 133 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.932 110.1 49.8 -62.6 -39.3 4.5 39.4 -1.4 83 83 A Q H X S+ 0 0 56 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.912 108.5 53.3 -63.3 -41.1 5.4 37.1 1.5 84 84 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.915 109.3 49.0 -63.0 -42.9 7.4 40.0 3.1 85 85 A Y H X S+ 0 0 103 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.879 109.3 51.0 -64.1 -35.6 4.5 42.4 2.8 86 86 A K H X S+ 0 0 158 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.924 113.0 45.8 -65.5 -45.1 2.1 39.9 4.4 87 87 A L H X S+ 0 0 13 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.893 112.0 51.4 -65.3 -37.6 4.5 39.4 7.4 88 88 A W H >< S+ 0 0 62 -4,-2.5 3,-1.3 -5,-0.2 -1,-0.2 0.940 106.8 53.8 -66.1 -41.7 5.0 43.1 7.7 89 89 A Q H 3< S+ 0 0 169 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.870 114.7 41.3 -61.8 -33.1 1.2 43.7 7.8 90 90 A A H 3< S+ 0 0 71 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.456 87.2 126.3 -91.0 -1.5 0.8 41.2 10.6 91 91 A F << - 0 0 20 -3,-1.3 2,-0.9 -4,-0.6 3,-0.1 -0.369 58.1-137.8 -69.3 131.3 3.9 42.3 12.5 92 92 A D > - 0 0 90 1,-0.2 4,-2.1 -2,-0.1 5,-0.2 -0.763 16.5-166.7 -88.2 105.2 3.3 43.2 16.2 93 93 A M H > S+ 0 0 61 -2,-0.9 4,-2.1 1,-0.2 5,-0.2 0.893 84.4 51.5 -64.8 -40.2 5.4 46.4 16.6 94 94 A E H > S+ 0 0 164 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.918 110.9 48.1 -66.6 -36.9 5.3 46.5 20.4 95 95 A A H > S+ 0 0 15 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 109.8 54.3 -68.8 -30.5 6.5 42.8 20.6 96 96 A G H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.883 107.3 48.9 -69.7 -38.8 9.2 43.7 18.1 97 97 A V H X S+ 0 0 11 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.910 111.8 51.2 -64.2 -37.4 10.4 46.6 20.4 98 98 A G H X S+ 0 0 23 -4,-2.0 4,-1.9 2,-0.2 -87,-0.3 0.899 110.1 47.7 -65.6 -42.1 10.3 44.0 23.2 99 99 A D H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.919 111.5 50.9 -67.4 -35.0 12.4 41.5 21.3 100 100 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.931 106.7 54.7 -70.5 -37.7 14.9 44.3 20.4 101 101 A E H X S+ 0 0 64 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.908 110.2 47.0 -57.8 -45.1 15.1 45.2 24.1 102 102 A A H X S+ 0 0 5 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.882 111.4 49.6 -65.8 -35.9 16.0 41.6 24.8 103 103 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.877 110.9 50.9 -71.1 -33.5 18.6 41.5 22.0 104 104 A I H X S+ 0 0 4 -4,-2.7 4,-1.0 2,-0.2 -2,-0.2 0.930 109.9 49.3 -67.8 -42.6 20.1 44.8 23.4 105 105 A H H >X S+ 0 0 109 -4,-2.6 3,-0.9 -5,-0.2 4,-0.5 0.936 111.4 49.1 -61.7 -43.4 20.3 43.3 26.8 106 106 A Y H >< S+ 0 0 37 -4,-2.5 3,-1.5 1,-0.2 -1,-0.2 0.928 106.6 58.1 -56.9 -47.2 22.0 40.2 25.4 107 107 A A H 3< S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 8,-0.3 0.692 97.8 61.7 -57.6 -22.9 24.4 42.5 23.5 108 108 A R H << S+ 0 0 60 -4,-1.0 -1,-0.2 -3,-0.9 -2,-0.2 0.683 110.1 36.1 -74.5 -22.0 25.6 44.1 26.7 109 109 A H S << S+ 0 0 123 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 -0.034 76.8 122.5-127.2 25.4 27.0 41.0 28.2 110 110 A Q S > S- 0 0 45 -3,-0.4 3,-1.8 -4,-0.1 5,-0.1 -0.570 75.8-105.0 -81.6 166.3 28.6 38.8 25.6 111 111 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 -85,-0.0 0.827 123.7 45.9 -58.1 -36.8 32.3 37.8 26.1 112 112 A Y T 3 S+ 0 0 29 -85,-0.1 -84,-2.7 -86,-0.1 2,-0.2 0.465 91.3 114.6 -83.2 -4.0 33.3 40.3 23.2 113 113 A S E < -c 28 0B 18 -3,-1.8 -5,-0.1 -86,-0.2 4,-0.1 -0.428 48.9-166.2 -71.5 136.9 31.0 43.2 24.6 114 114 A N E - 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