==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-12 4EGE . COMPND 2 MOLECULE: DIPEPTIDASE PEPE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM ULCERANS; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 371 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14804.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 15.6 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 22 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 1 2 0 0 1 0 0 2 0 0 1 0 0 1 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 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 PARALLEL BRIDGES PER LADDER . 5 2 1 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 4 A G 0 0 67 0, 0.0 2,-0.3 0, 0.0 39,-0.0 0.000 360.0 360.0 360.0 -38.3 16.5 20.9 -17.3 2 5 A R - 0 0 84 231,-0.1 2,-0.1 73,-0.0 3,-0.1 -0.923 360.0 -91.8-151.5 171.2 18.0 24.0 -19.1 3 6 A F - 0 0 32 -2,-0.3 5,-0.1 1,-0.2 73,-0.0 -0.350 57.1 -76.7 -82.2 168.2 17.3 26.5 -21.9 4 7 A D >> - 0 0 118 1,-0.1 3,-1.4 -2,-0.1 4,-0.9 -0.313 47.6-108.5 -60.7 149.3 18.5 26.2 -25.5 5 8 A T H 3> S+ 0 0 25 1,-0.3 4,-2.6 2,-0.2 3,-0.3 0.793 115.6 66.7 -52.0 -33.7 22.2 27.0 -26.0 6 9 A A H 3> S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.856 94.8 57.3 -60.1 -37.8 21.4 30.3 -27.7 7 10 A V H <> S+ 0 0 22 -3,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.904 111.1 42.5 -58.4 -44.5 19.9 31.7 -24.5 8 11 A Y H X S+ 0 0 8 -4,-0.9 4,-3.1 -3,-0.3 -2,-0.2 0.876 108.4 57.5 -72.5 -41.2 23.3 31.1 -22.7 9 12 A A H X S+ 0 0 40 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.915 110.9 46.1 -51.5 -42.4 25.4 32.4 -25.6 10 13 A R H X S+ 0 0 142 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.868 111.6 49.3 -74.3 -36.1 23.4 35.6 -25.3 11 14 A R H X S+ 0 0 4 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.918 110.8 51.8 -67.6 -38.8 23.8 35.8 -21.5 12 15 A L H X S+ 0 0 13 -4,-3.1 4,-2.5 26,-0.3 -2,-0.2 0.923 111.4 45.7 -63.8 -45.9 27.5 35.2 -21.8 13 16 A A H X S+ 0 0 63 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.944 114.2 48.6 -60.4 -47.7 28.0 38.0 -24.4 14 17 A A H X S+ 0 0 47 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.894 112.1 49.3 -64.0 -36.8 25.9 40.4 -22.3 15 18 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.909 111.1 49.5 -66.6 -43.6 27.8 39.5 -19.1 16 19 A A H X S+ 0 0 18 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.888 110.2 51.2 -58.7 -43.3 31.2 40.0 -20.9 17 20 A A H X S+ 0 0 59 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.887 111.2 46.3 -63.6 -42.6 30.0 43.4 -22.2 18 21 A A H X S+ 0 0 11 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.840 110.7 53.9 -69.8 -34.2 28.9 44.6 -18.8 19 22 A T H <>S+ 0 0 0 -4,-1.9 5,-2.3 2,-0.2 -2,-0.2 0.882 110.8 45.9 -63.6 -43.7 32.2 43.4 -17.3 20 23 A E H ><5S+ 0 0 106 -4,-2.0 3,-1.6 36,-0.3 -2,-0.2 0.887 110.5 53.4 -64.3 -42.2 34.2 45.4 -19.9 21 24 A Q H 3<5S+ 0 0 160 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.766 106.7 53.0 -66.6 -24.6 31.9 48.4 -19.1 22 25 A A T 3<5S- 0 0 56 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.420 116.6-119.0 -88.4 2.1 32.8 48.0 -15.5 23 26 A G T < 5 + 0 0 65 -3,-1.6 2,-0.2 1,-0.2 -3,-0.2 0.662 66.7 137.7 71.0 20.0 36.5 48.1 -16.4 24 27 A L < - 0 0 27 -5,-2.3 -1,-0.2 1,-0.1 84,-0.2 -0.619 60.1-132.1 -94.6 155.3 37.3 44.6 -15.1 25 28 A A S S- 0 0 38 82,-3.0 31,-2.6 1,-0.2 32,-0.4 0.761 76.6 -53.2 -72.6 -24.9 39.5 42.0 -16.8 26 29 A G E -Ab 55 108A 0 81,-0.9 83,-1.6 29,-0.3 2,-0.3 -0.987 51.0 -87.0 170.4 176.1 36.8 39.4 -16.2 27 30 A L E -Ab 54 109A 0 27,-2.4 27,-2.4 -2,-0.3 2,-0.5 -0.849 22.0-154.3-110.2 150.8 34.4 37.4 -14.1 28 31 A V E -Ab 53 110A 0 81,-2.0 83,-1.6 -2,-0.3 2,-0.6 -0.961 13.4-172.6-128.2 114.6 35.0 34.2 -12.1 29 32 A I E -A 52 0A 0 23,-2.9 23,-3.0 -2,-0.5 3,-0.1 -0.918 2.2-171.6-115.3 109.2 32.0 32.1 -11.5 30 33 A T - 0 0 1 -2,-0.6 5,-0.4 21,-0.2 21,-0.2 -0.398 50.7 -57.6 -85.4 171.5 32.2 29.1 -9.2 31 34 A P S S+ 0 0 13 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.217 93.4 73.8 -59.6 140.9 29.3 26.6 -9.0 32 35 A G S > S- 0 0 24 9,-0.3 4,-2.0 11,-0.2 3,-0.2 -0.952 98.0 -35.7 154.0-153.1 25.9 28.0 -7.9 33 36 A Y H > S+ 0 0 84 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.799 128.8 54.4 -74.5 -33.9 23.0 30.0 -9.3 34 37 A D H > S+ 0 0 11 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.883 111.2 48.4 -61.6 -37.7 25.1 32.5 -11.4 35 38 A L H >>S+ 0 0 2 -5,-0.4 4,-2.8 2,-0.2 6,-0.9 0.918 111.4 48.9 -67.0 -44.7 26.8 29.5 -13.1 36 39 A R H X5S+ 0 0 44 -4,-2.0 4,-1.2 4,-0.3 -2,-0.2 0.890 114.6 46.4 -58.9 -42.7 23.3 27.9 -13.7 37 40 A Y H <5S+ 0 0 4 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.877 117.0 43.6 -65.4 -41.3 22.1 31.2 -15.2 38 41 A L H <5S- 0 0 0 -4,-2.1 -26,-0.3 -5,-0.2 -2,-0.2 0.867 139.2 -1.1 -80.5 -37.5 25.2 31.7 -17.3 39 42 A I H <5S- 0 0 4 -4,-2.8 37,-2.2 -5,-0.1 38,-0.3 0.297 93.0-111.6-137.3 5.3 25.8 28.3 -18.8 40 43 A G << + 0 0 9 -4,-1.2 2,-0.4 -5,-0.7 -4,-0.3 0.635 61.8 155.1 73.6 14.6 23.1 26.1 -17.4 41 44 A S - 0 0 14 -6,-0.9 -9,-0.3 1,-0.1 -1,-0.2 -0.629 31.7-174.9 -81.9 129.2 25.5 24.0 -15.3 42 45 A R + 0 0 140 -2,-0.4 -1,-0.1 -7,-0.1 -6,-0.0 0.159 43.6 135.9 -98.1 14.8 24.2 22.3 -12.1 43 46 A A + 0 0 23 28,-0.1 -11,-0.2 -11,-0.1 2,-0.2 -0.234 28.6 177.1 -55.1 145.3 27.8 21.2 -11.3 44 47 A D + 0 0 121 -13,-0.1 2,-0.2 -14,-0.0 -1,-0.0 -0.634 9.9 167.7-150.4 104.7 29.0 21.5 -7.8 45 48 A T - 0 0 11 1,-0.2 5,-0.1 3,-0.2 4,-0.1 -0.463 22.9-161.1 -80.0 170.9 32.4 20.3 -7.0 46 49 A F S S+ 0 0 65 -2,-0.2 -1,-0.2 3,-0.1 4,-0.2 0.479 71.5 13.1-124.7 -84.0 33.1 21.7 -3.6 47 50 A E S S+ 0 0 116 2,-0.1 2,-0.5 71,-0.0 -2,-0.0 0.742 116.9 79.3 -69.3 -22.5 36.6 22.0 -2.2 48 51 A R S S- 0 0 69 1,-0.0 2,-0.4 45,-0.0 -3,-0.2 -0.756 93.5-115.2 -86.9 131.2 37.8 21.3 -5.8 49 52 A L + 0 0 4 -2,-0.5 2,-0.4 15,-0.1 -2,-0.1 -0.511 37.4 170.4 -73.7 119.7 37.7 24.4 -7.9 50 53 A T + 0 0 8 -2,-0.4 2,-0.3 -4,-0.2 14,-0.2 -0.998 18.7 166.1-114.5 131.6 35.3 24.5 -10.9 51 54 A A E - C 0 63A 0 12,-2.7 12,-3.1 -2,-0.4 2,-0.6 -0.989 37.2-140.2-149.5 140.2 35.1 28.0 -12.4 52 55 A L E -AC 29 62A 0 -23,-3.0 -23,-2.9 -2,-0.3 2,-0.6 -0.867 22.3-157.5 -90.6 127.6 33.8 29.7 -15.5 53 56 A V E -AC 28 61A 0 8,-3.5 8,-2.3 -2,-0.6 -25,-0.2 -0.947 10.3-174.6-110.7 112.6 36.3 32.4 -16.4 54 57 A L E -A 27 0A 4 -27,-2.4 -27,-2.4 -2,-0.6 5,-0.1 -0.870 10.9-154.7-114.9 96.0 34.5 35.0 -18.5 55 58 A P E -A 26 0A 16 0, 0.0 -29,-0.3 0, 0.0 3,-0.2 -0.290 27.1-118.8 -70.1 156.0 37.0 37.7 -19.8 56 59 A A S S+ 0 0 19 -31,-2.6 2,-0.3 1,-0.3 -36,-0.3 0.769 106.1 18.5 -60.1 -23.1 35.8 41.1 -20.7 57 60 A S S S+ 0 0 106 -32,-0.4 -1,-0.3 2,-0.1 2,-0.2 -0.959 110.7 26.3-154.6 126.7 37.0 40.2 -24.1 58 61 A G S S- 0 0 61 -2,-0.3 -42,-0.0 -3,-0.2 0, 0.0 -0.464 94.4 -29.5 108.4 178.3 37.9 36.8 -25.7 59 62 A V - 0 0 81 -2,-0.2 -2,-0.1 1,-0.1 23,-0.1 -0.342 62.3-120.0 -73.3 137.5 36.7 33.2 -25.3 60 63 A P - 0 0 19 0, 0.0 23,-2.3 0, 0.0 2,-0.4 -0.342 24.5-148.6 -70.9 163.1 35.6 32.0 -21.9 61 64 A T E -Cd 53 83A 9 -8,-2.3 -8,-3.5 21,-0.2 2,-0.5 -0.983 5.5-147.0-129.6 142.4 37.4 29.2 -20.1 62 65 A I E -Cd 52 84A 7 21,-2.7 23,-2.5 -2,-0.4 2,-0.6 -0.959 12.4-160.9-105.4 122.5 36.1 26.5 -17.7 63 66 A V E +Cd 51 85A 0 -12,-3.1 -12,-2.7 -2,-0.5 23,-0.2 -0.928 30.8 143.9 -99.5 124.9 38.7 25.5 -15.1 64 67 A L E - d 0 86A 1 21,-1.7 23,-1.3 -2,-0.6 -14,-0.2 -0.993 52.9 -78.7-156.8 162.9 37.7 22.1 -13.6 65 68 A P E > - d 0 87A 0 0, 0.0 3,-1.8 0, 0.0 23,-0.2 -0.362 36.1-130.2 -62.1 138.8 39.0 18.8 -12.1 66 69 A R G > S+ 0 0 134 21,-2.9 3,-2.0 1,-0.3 4,-0.2 0.881 108.8 63.4 -54.0 -37.6 40.0 16.3 -14.8 67 70 A L G 3 S+ 0 0 107 20,-0.3 -1,-0.3 1,-0.3 3,-0.2 0.646 101.0 53.4 -65.5 -11.3 37.8 13.7 -12.9 68 71 A E G X S+ 0 0 60 -3,-1.8 3,-2.0 1,-0.2 4,-0.3 0.257 71.3 116.8-103.2 7.9 34.8 15.9 -13.7 69 72 A L G X + 0 0 70 -3,-2.0 3,-1.4 1,-0.3 4,-0.2 0.757 66.8 62.3 -49.7 -35.3 35.3 16.1 -17.5 70 73 A A G > S+ 0 0 89 1,-0.3 3,-1.0 -3,-0.2 4,-0.4 0.706 85.6 75.1 -69.6 -20.4 32.0 14.4 -18.4 71 74 A S G X> S+ 0 0 38 -3,-2.0 3,-1.1 1,-0.2 4,-1.0 0.734 79.6 75.1 -61.7 -20.7 30.0 17.1 -16.7 72 75 A L G <4 S+ 0 0 25 -3,-1.4 6,-1.4 -4,-0.3 7,-0.3 0.808 89.6 55.3 -64.1 -32.6 30.7 19.4 -19.8 73 76 A K G <4 S+ 0 0 79 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.705 101.2 62.5 -69.5 -21.3 28.3 17.5 -22.0 74 77 A E T <4 S+ 0 0 72 -3,-1.1 -2,-0.2 -4,-0.4 -1,-0.2 0.897 107.1 38.0 -73.0 -45.9 25.6 18.2 -19.4 75 78 A S S < S- 0 0 6 -4,-1.0 3,-0.4 -3,-0.1 4,-0.4 -0.202 100.0 -92.7 -91.6-171.6 25.6 22.1 -19.6 76 79 A A S > S+ 0 0 0 -37,-2.2 4,-1.9 1,-0.2 5,-0.2 0.493 99.8 95.0 -82.7 -7.3 26.0 24.4 -22.7 77 80 A A T 4>S+ 0 0 0 -38,-0.3 5,-1.7 1,-0.2 4,-0.3 0.902 83.3 47.5 -52.8 -50.7 29.8 24.7 -22.3 78 81 A S T >45S+ 0 0 70 -6,-1.4 3,-1.3 -3,-0.4 -1,-0.2 0.907 110.7 51.5 -61.7 -43.6 30.7 21.9 -24.7 79 82 A D T 345S+ 0 0 112 -4,-0.4 -1,-0.2 -7,-0.3 -2,-0.2 0.865 110.2 49.2 -62.1 -36.7 28.3 23.2 -27.5 80 83 A L T 3<5S- 0 0 60 -4,-1.9 -1,-0.3 -3,-0.0 -2,-0.2 0.435 107.1-127.7 -84.0 1.7 29.8 26.7 -27.2 81 84 A G T < 5 + 0 0 52 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.904 38.4 179.8 49.5 49.4 33.4 25.4 -27.5 82 85 A V < - 0 0 13 -5,-1.7 -21,-0.2 1,-0.1 -1,-0.1 -0.477 38.9 -96.6 -69.3 151.9 34.6 27.2 -24.4 83 86 A C E -d 61 0A 40 -23,-2.3 -21,-2.7 -2,-0.1 2,-0.4 -0.487 40.3-147.6 -67.1 143.2 38.3 26.5 -23.6 84 87 A V E -d 62 0A 45 -23,-0.2 2,-0.5 -2,-0.1 -21,-0.2 -0.960 18.6-177.8-114.9 130.2 38.8 23.8 -21.0 85 88 A R E -d 63 0A 119 -23,-2.5 -21,-1.7 -2,-0.4 2,-0.2 -0.893 13.0-173.5-123.0 97.9 41.6 23.6 -18.6 86 89 A D E -d 64 0A 44 -2,-0.5 2,-0.3 -23,-0.2 -2,-0.0 -0.636 5.0-166.5 -88.5 151.9 41.3 20.4 -16.5 87 90 A W E -d 65 0A 13 -23,-1.3 -21,-2.9 -2,-0.2 -20,-0.3 -0.911 11.8-128.1-137.8 161.7 43.7 19.9 -13.6 88 91 A V > - 0 0 58 -2,-0.3 3,-2.6 -23,-0.2 2,-0.0 -0.794 39.9 -82.5-115.1 153.4 44.7 17.0 -11.4 89 92 A D T 3 S+ 0 0 97 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.317 120.8 43.1 -51.3 125.9 44.8 16.6 -7.6 90 93 A G T 3 S+ 0 0 84 1,-0.5 -1,-0.3 -3,-0.0 2,-0.2 0.077 94.2 106.4 116.5 -23.6 48.2 18.1 -6.6 91 94 A D S < S- 0 0 83 -3,-2.6 -1,-0.5 1,-0.0 3,-0.1 -0.546 72.4-126.7 -88.2 156.0 47.8 21.2 -9.0 92 95 A D >> - 0 0 77 -2,-0.2 3,-1.1 1,-0.1 4,-0.6 -0.876 23.1-172.1-100.2 98.1 47.0 24.7 -7.9 93 96 A P H 3> S+ 0 0 9 0, 0.0 4,-1.5 0, 0.0 3,-0.4 0.715 76.1 73.7 -69.2 -18.5 43.9 25.5 -10.1 94 97 A Y H 3> S+ 0 0 30 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.842 91.3 57.8 -61.1 -32.4 44.0 29.2 -9.0 95 98 A Q H <> S+ 0 0 94 -3,-1.1 4,-2.0 1,-0.2 -1,-0.2 0.840 102.7 53.5 -66.3 -33.2 47.0 29.7 -11.3 96 99 A L H X S+ 0 0 50 -4,-0.6 4,-2.5 -3,-0.4 -1,-0.2 0.881 106.6 52.0 -65.0 -40.5 45.0 28.4 -14.3 97 100 A V H X S+ 0 0 0 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.918 109.8 49.8 -62.2 -43.1 42.2 31.0 -13.5 98 101 A A H ><>S+ 0 0 4 -4,-1.8 5,-3.0 1,-0.2 3,-0.7 0.921 112.2 46.6 -61.8 -48.4 44.9 33.8 -13.5 99 102 A V H ><5S+ 0 0 99 -4,-2.0 3,-2.8 3,-0.2 -1,-0.2 0.913 105.1 59.3 -62.6 -44.3 46.4 32.7 -16.8 100 103 A A H 3<5S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.752 105.6 52.3 -59.6 -20.8 42.9 32.4 -18.5 101 104 A L T <<5S- 0 0 20 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.254 135.4 -88.9 -94.5 11.3 42.5 36.1 -17.6 102 105 A G T < 5S- 0 0 74 -3,-2.8 -3,-0.2 4,-0.1 -2,-0.2 0.434 77.4 -75.2 94.9 0.6 45.8 37.0 -19.3 103 106 A G S - 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