==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER GLYCOPROTEIN/PEPTIDE 01-JUL-05 2BVQ . COMPND 2 MOLECULE: HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, B-57 . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.B.STEWART-JONES,G.GILLESPIE,I.M.OVERTON,R.KAUL,P.ROCHE, . 381 3 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19614.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 136 35.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 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-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 . 16 4.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 59 15.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 1 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 7 2 2 0 4 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 2 2 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 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 G 0 0 99 0, 0.0 103,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 90.4 8.8 56.6 23.8 2 2 A S + 0 0 57 101,-0.6 2,-0.3 1,-0.2 102,-0.2 0.955 360.0 1.5 -70.4 -47.5 5.4 57.7 25.3 3 3 A H E -A 103 0A 29 100,-2.4 100,-2.9 26,-0.1 2,-0.3 -0.977 62.4-169.3-138.0 161.3 6.8 61.0 27.2 4 4 A S E -A 102 0A 25 -2,-0.3 25,-1.9 98,-0.2 2,-0.4 -0.959 12.1-155.5-138.8 153.8 10.2 62.9 27.7 5 5 A M E +AB 101 28A 1 96,-2.3 96,-0.7 -2,-0.3 2,-0.3 -0.988 23.2 178.5-126.3 138.0 11.6 65.7 29.8 6 6 A R E -AB 100 27A 38 21,-2.0 21,-2.6 -2,-0.4 2,-0.4 -0.991 19.9-158.4-143.0 135.3 14.6 67.6 28.4 7 7 A Y E -AB 99 26A 1 92,-2.1 92,-1.9 -2,-0.3 2,-0.4 -0.931 12.2-165.0-109.7 135.2 16.9 70.6 29.6 8 8 A F E -AB 98 25A 34 17,-2.7 17,-2.2 -2,-0.4 2,-0.4 -0.992 5.0-172.8-122.5 125.4 18.8 72.6 26.9 9 9 A Y E -AB 97 24A 3 88,-2.2 88,-1.5 -2,-0.4 2,-0.4 -0.949 5.7-172.9-117.6 141.0 21.7 75.0 27.9 10 10 A T E -AB 96 23A 2 13,-2.1 13,-2.5 -2,-0.4 2,-0.4 -0.990 1.5-175.5-130.6 122.3 23.6 77.4 25.6 11 11 A A E -AB 95 22A 2 84,-2.9 84,-2.5 -2,-0.4 2,-0.4 -0.988 8.9-175.1-118.8 129.9 26.6 79.2 27.0 12 12 A M E -AB 94 21A 14 9,-2.3 9,-1.8 -2,-0.4 82,-0.2 -0.969 14.3-145.8-135.4 115.1 28.1 81.8 24.5 13 13 A S + 0 0 21 80,-2.4 6,-0.1 -2,-0.4 5,-0.0 -0.427 14.8 179.8 -81.0 159.6 31.4 83.9 25.0 14 14 A R > - 0 0 41 4,-0.5 3,-2.5 78,-0.1 78,-0.1 -0.512 19.5-148.5-159.5 67.8 31.6 87.4 23.5 15 15 A P T 3 S+ 0 0 61 0, 0.0 4,-0.1 0, 0.0 77,-0.1 -0.214 86.4 21.1 -55.6 134.5 35.1 89.0 24.4 16 16 A G T 3 S+ 0 0 89 2,-0.1 3,-0.1 0, 0.0 74,-0.0 0.250 114.0 76.2 89.8 -14.3 34.8 92.8 24.8 17 17 A R S < S- 0 0 150 -3,-2.5 2,-0.1 1,-0.5 0, 0.0 -0.154 105.6 -96.6-123.5 35.6 31.0 92.5 25.5 18 18 A G - 0 0 55 2,-0.0 -1,-0.5 -5,-0.0 -4,-0.5 -0.304 69.3 -18.5 81.1-168.5 31.1 91.2 29.1 19 19 A E S S- 0 0 108 1,-0.2 -7,-0.1 -6,-0.1 56,-0.0 -0.254 84.5 -77.3 -72.8 157.6 30.8 87.7 30.5 20 20 A P - 0 0 14 0, 0.0 -7,-0.2 0, 0.0 2,-0.2 -0.339 47.9-118.1 -57.7 136.1 29.4 84.7 28.4 21 21 A R E -B 12 0A 78 -9,-1.8 -9,-2.3 -3,-0.1 2,-0.5 -0.518 27.2-159.2 -67.9 136.2 25.6 84.7 28.1 22 22 A F E +B 11 0A 1 -11,-0.2 16,-2.2 -2,-0.2 2,-0.4 -0.979 12.6 177.9-119.8 119.2 24.0 81.5 29.7 23 23 A I E -BC 10 37A 11 -13,-2.5 -13,-2.1 -2,-0.5 2,-0.4 -0.982 4.3-175.0-124.2 133.4 20.5 80.5 28.7 24 24 A A E +BC 9 36A 1 12,-2.2 12,-2.2 -2,-0.4 2,-0.3 -0.966 3.1 179.6-122.2 139.9 18.4 77.4 29.8 25 25 A V E -BC 8 35A 2 -17,-2.2 -17,-2.7 -2,-0.4 2,-0.4 -0.978 11.8-153.3-131.7 146.9 15.1 76.1 28.7 26 26 A G E -BC 7 34A 0 8,-1.7 7,-2.5 -2,-0.3 8,-1.0 -0.941 12.3-170.7-120.5 144.6 13.1 73.0 29.9 27 27 A Y E -BC 6 32A 27 -21,-2.6 -21,-2.0 -2,-0.4 2,-0.5 -0.971 22.7-157.2-130.3 141.9 10.5 70.9 27.9 28 28 A V E > S-BC 5 31A 0 3,-2.7 3,-2.5 -2,-0.3 -23,-0.2 -1.000 81.8 -48.8-105.5 120.7 8.0 68.2 28.5 29 29 A D T 3 S- 0 0 33 -25,-1.9 -26,-0.1 -2,-0.5 -23,-0.0 -0.336 124.9 -21.8 49.5-123.0 7.6 66.6 25.1 30 30 A D T 3 S+ 0 0 64 -2,-0.1 2,-0.5 149,-0.1 -1,-0.2 0.122 118.3 100.8-103.6 21.1 6.9 69.7 22.7 31 31 A T E < -C 28 0A 23 -3,-2.5 -3,-2.7 148,-0.0 2,-0.3 -0.940 63.7-146.5-108.7 111.4 5.8 71.9 25.6 32 32 A Q E +C 27 0A 31 -2,-0.5 -5,-0.3 -5,-0.2 3,-0.1 -0.594 23.8 168.5 -73.2 133.7 8.3 74.5 27.0 33 33 A F E + 0 0 0 -7,-2.5 15,-2.5 1,-0.3 16,-0.8 0.567 55.3 25.9-122.3 -12.3 7.7 75.1 30.8 34 34 A V E -CD 26 47A 0 -8,-1.0 -8,-1.7 13,-0.3 2,-0.3 -0.968 52.9-172.6-154.8 157.4 10.7 77.1 32.1 35 35 A R E -CD 25 46A 91 11,-1.2 11,-2.4 -2,-0.3 2,-0.3 -0.973 3.9-172.3-151.3 144.9 13.4 79.6 31.0 36 36 A F E +C 24 0A 4 -12,-2.2 -12,-2.2 -2,-0.3 2,-0.4 -0.973 5.8 178.6-138.1 136.9 16.6 81.2 32.5 37 37 A D E > -C 23 0A 34 -2,-0.3 3,-1.6 7,-0.3 -14,-0.2 -0.961 22.1-154.8-140.4 115.6 18.6 84.0 30.9 38 38 A S T 3 S+ 0 0 26 -16,-2.2 -15,-0.1 -2,-0.4 -1,-0.1 0.633 96.3 62.4 -68.7 -11.9 21.7 85.5 32.6 39 39 A D T 3 S+ 0 0 70 -17,-0.2 -1,-0.3 3,-0.1 -16,-0.1 0.574 77.4 112.6 -83.4 -13.8 21.0 88.7 30.5 40 40 A A S < S- 0 0 44 -3,-1.6 -4,-0.0 1,-0.1 0, 0.0 -0.218 83.1-112.9 -51.1 148.8 17.5 89.4 32.1 41 41 A A S S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.0 -3,-0.0 0.938 114.0 13.2 -52.2 -49.3 17.3 92.5 34.3 42 42 A S S S- 0 0 69 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 -0.845 91.1-146.1-126.2 98.1 16.7 90.2 37.2 43 43 A P + 0 0 38 0, 0.0 2,-0.3 0, 0.0 -5,-0.1 -0.418 35.3 140.2 -69.8 124.9 17.6 86.5 36.3 44 44 A R - 0 0 132 -2,-0.2 2,-0.4 -7,-0.1 -7,-0.3 -0.970 62.6 -86.0-144.8 164.6 15.5 83.7 37.8 45 45 A M - 0 0 4 15,-0.4 -9,-0.2 -2,-0.3 19,-0.2 -0.646 58.9-166.4 -68.2 121.3 14.0 80.3 36.8 46 46 A A E -D 35 0A 15 -11,-2.4 -11,-1.2 -2,-0.4 2,-0.1 -0.925 19.5-106.5-123.9 140.1 10.7 81.6 35.3 47 47 A P E +D 34 0A 59 0, 0.0 -13,-0.3 0, 0.0 -14,-0.1 -0.394 30.4 171.8 -68.0 140.0 7.4 79.7 34.4 48 48 A R + 0 0 99 -15,-2.5 -14,-0.2 1,-0.2 -16,-0.1 0.306 67.9 47.4-126.0 1.8 6.5 79.2 30.7 49 49 A A S >> S- 0 0 8 -16,-0.8 3,-0.9 -18,-0.1 4,-0.5 -0.986 80.7-123.2-138.8 147.7 3.4 76.9 31.1 50 50 A P G >4 S+ 0 0 102 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.845 104.4 61.5 -63.0 -31.7 0.4 77.3 33.4 51 51 A W G 34 S+ 0 0 13 1,-0.2 3,-0.3 2,-0.2 -18,-0.1 0.665 99.7 54.6 -71.4 -20.0 0.8 73.9 35.2 52 52 A I G X4 S+ 0 0 0 -3,-0.9 3,-1.8 1,-0.1 -1,-0.2 0.645 87.7 82.5 -80.9 -15.2 4.2 74.7 36.6 53 53 A E T << S+ 0 0 126 -3,-0.9 -2,-0.2 -4,-0.5 -1,-0.1 0.789 79.9 64.9 -63.3 -27.0 2.9 77.9 38.3 54 54 A Q T 3 S+ 0 0 128 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.501 73.5 109.6 -75.9 -9.6 1.6 76.1 41.3 55 55 A E S < S- 0 0 11 -3,-1.8 5,-0.0 1,-0.1 -3,-0.0 -0.425 71.3-120.4 -66.8 142.7 5.0 75.0 42.5 56 56 A G > - 0 0 30 -2,-0.1 4,-1.8 1,-0.1 3,-0.5 -0.091 27.7 -85.7 -84.2-176.5 5.9 76.9 45.7 57 57 A P H > S+ 0 0 106 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.785 123.9 61.7 -54.8 -31.3 8.8 79.3 46.7 58 58 A E H > S+ 0 0 184 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.927 106.3 45.9 -61.6 -45.1 11.1 76.3 47.6 59 59 A Y H > S+ 0 0 5 -3,-0.5 4,-2.8 2,-0.2 5,-0.2 0.956 115.0 44.7 -57.3 -53.1 10.9 75.0 44.0 60 60 A W H X S+ 0 0 36 -4,-1.8 4,-2.1 1,-0.2 -15,-0.4 0.872 116.3 44.5 -72.4 -37.0 11.6 78.4 42.3 61 61 A D H X S+ 0 0 86 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.917 113.4 51.3 -70.2 -41.5 14.4 79.4 44.6 62 62 A G H X S+ 0 0 37 -4,-2.2 4,-1.7 -5,-0.3 -2,-0.2 0.924 113.7 44.6 -57.1 -46.4 16.0 76.0 44.4 63 63 A E H X S+ 0 0 9 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.889 112.6 53.2 -70.0 -36.4 15.9 76.1 40.6 64 64 A T H X S+ 0 0 4 -4,-2.1 4,-2.4 -5,-0.2 -2,-0.2 0.935 108.1 48.2 -60.2 -48.8 17.1 79.7 40.6 65 65 A R H X S+ 0 0 124 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.853 112.3 50.4 -60.0 -38.2 20.2 78.9 42.8 66 66 A N H X S+ 0 0 27 -4,-1.7 4,-2.7 -5,-0.2 -2,-0.2 0.941 110.3 48.7 -68.6 -44.5 21.1 75.9 40.5 67 67 A M H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.902 111.9 49.8 -61.6 -45.7 20.8 78.0 37.3 68 68 A K H X S+ 0 0 100 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.936 113.0 46.3 -51.3 -51.3 23.0 80.7 38.9 69 69 A A H X S+ 0 0 48 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.875 112.5 51.9 -62.7 -41.9 25.6 78.0 39.9 70 70 A S H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.901 102.4 57.0 -61.2 -44.8 25.4 76.5 36.3 71 71 A A H X S+ 0 0 6 -4,-2.6 4,-1.5 1,-0.2 -2,-0.2 0.942 110.6 45.4 -52.0 -48.4 26.0 79.9 34.6 72 72 A Q H X S+ 0 0 121 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.936 113.1 50.5 -57.7 -50.0 29.4 80.1 36.6 73 73 A T H X S+ 0 0 27 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.930 110.8 47.4 -55.9 -51.1 30.3 76.5 35.8 74 74 A Y H X S+ 0 0 5 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.754 107.2 58.1 -64.5 -27.0 29.6 76.8 32.0 75 75 A R H X S+ 0 0 45 -4,-1.5 4,-1.2 -5,-0.3 -1,-0.2 0.908 108.4 45.5 -64.9 -44.4 31.7 80.1 32.0 76 76 A E H X S+ 0 0 67 -4,-1.8 4,-2.8 2,-0.2 3,-0.3 0.896 108.3 56.5 -57.5 -48.5 34.7 78.1 33.4 77 77 A N H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.848 103.8 54.8 -59.4 -34.3 34.1 75.3 30.8 78 78 A L H X S+ 0 0 8 -4,-1.4 4,-0.9 2,-0.2 -1,-0.2 0.896 109.5 46.6 -61.0 -42.6 34.4 78.0 28.1 79 79 A R H X S+ 0 0 130 -4,-1.2 4,-1.0 -3,-0.3 3,-0.4 0.893 112.7 50.2 -61.9 -47.3 37.9 78.9 29.6 80 80 A I H >X S+ 0 0 12 -4,-2.8 4,-1.8 1,-0.2 3,-0.6 0.920 103.6 58.5 -59.7 -47.8 38.9 75.2 29.7 81 81 A A H 3X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.827 100.2 58.1 -53.2 -32.4 37.8 74.5 26.1 82 82 A L H 3X>S+ 0 0 29 -4,-0.9 5,-2.5 -3,-0.4 4,-0.7 0.904 108.3 44.8 -67.4 -38.5 40.3 77.2 24.8 83 83 A R H <<5S+ 0 0 172 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.786 111.5 54.9 -72.5 -31.2 43.2 75.4 26.5 84 84 A Y H <5S+ 0 0 34 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.775 119.5 31.6 -68.1 -29.4 41.8 72.1 25.0 85 85 A Y H <5S- 0 0 64 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.305 107.8-115.6-113.8 5.7 41.8 73.4 21.4 86 86 A N T <5 + 0 0 154 -4,-0.7 2,-0.2 1,-0.2 -3,-0.2 0.882 63.4 155.3 63.5 38.8 44.8 75.9 21.6 87 87 A Q < - 0 0 69 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.1 -0.637 39.9-113.1-102.0 155.8 42.4 78.8 21.0 88 88 A S > - 0 0 78 -2,-0.2 3,-0.8 1,-0.1 -1,-0.1 -0.436 19.5-119.5 -84.5 160.8 42.8 82.6 21.9 89 89 A E T 3 S+ 0 0 168 1,-0.2 -1,-0.1 -2,-0.1 -2,-0.0 0.462 103.7 72.0 -71.1 -4.5 40.8 84.7 24.3 90 90 A A T 3 S+ 0 0 84 2,-0.1 -1,-0.2 -76,-0.0 2,-0.2 0.666 81.8 79.4 -88.0 -19.2 39.7 87.0 21.4 91 91 A G S < S- 0 0 28 -3,-0.8 2,-0.4 -77,-0.1 -77,-0.1 -0.528 76.3-120.1 -95.4 161.0 37.2 84.8 19.6 92 92 A S + 0 0 77 -2,-0.2 2,-0.3 -78,-0.1 -78,-0.1 -0.801 35.0 176.6 -99.9 136.1 33.6 83.9 20.4 93 93 A H - 0 0 23 -2,-0.4 -80,-2.4 2,-0.0 2,-0.4 -0.922 17.7-138.8-138.3 163.4 32.6 80.3 21.1 94 94 A I E -A 12 0A 5 -2,-0.3 25,-3.3 -82,-0.2 2,-0.4 -0.975 7.3-168.5-131.6 131.0 29.5 78.2 22.1 95 95 A I E -AE 11 118A 7 -84,-2.5 -84,-2.9 -2,-0.4 2,-0.4 -0.969 13.4-173.6-109.5 134.3 28.9 75.2 24.4 96 96 A Q E -AE 10 117A 0 21,-1.8 21,-2.8 -2,-0.4 2,-0.3 -0.987 4.5-172.9-125.8 146.9 25.5 73.4 24.3 97 97 A V E -AE 9 116A 1 -88,-1.5 -88,-2.2 -2,-0.4 2,-0.4 -0.976 4.4-174.7-129.5 142.3 24.2 70.6 26.6 98 98 A M E +AE 8 115A 26 17,-2.2 17,-2.1 -2,-0.3 2,-0.3 -0.998 18.4 158.9-131.5 131.0 21.0 68.5 26.3 99 99 A Y E +AE 7 114A 7 -92,-1.9 -92,-2.1 -2,-0.4 2,-0.3 -0.986 10.7 88.3-147.4 169.6 19.9 66.0 29.0 100 100 A G E -AE 6 113A 0 13,-2.0 13,-2.3 -2,-0.3 2,-0.3 -0.903 52.4 -68.9 137.1-169.9 16.9 64.1 30.5 101 101 A a E -AE 5 112A 0 -96,-0.7 -96,-2.3 -2,-0.3 2,-0.4 -0.842 17.1-146.9-132.9 146.6 14.7 61.0 30.4 102 102 A D E -AE 4 111A 23 9,-2.4 8,-4.1 -2,-0.3 9,-1.4 -0.967 20.8-162.6-113.2 132.9 12.1 59.1 28.3 103 103 A V E -AE 3 109A 1 -100,-2.9 -100,-2.4 -2,-0.4 -101,-0.6 -0.895 11.5-132.0-115.2 148.1 9.3 57.2 30.0 104 104 A G > - 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