==== 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 OXIDOREDUCTASE (H2O2 ACCEPTOR) 01-JUL-96 2CAH . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR P.GOUET,H.-M.JOUVE,O.DIDEBERG . 475 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24807.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 61.1 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 . 72 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 31 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.1 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 1 2 1 2 1 1 0 1 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 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 . 4 2 0 1 0 2 1 1 2 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 . 0 0 0 0 0 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 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 K 0 0 261 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.3 81.5 10.8 -18.9 2 5 A K - 0 0 189 1,-0.1 2,-0.3 8,-0.0 0, 0.0 -0.688 360.0-127.2 -95.8 125.0 79.8 7.9 -20.8 3 6 A L + 0 0 77 -2,-0.5 8,-2.1 8,-0.2 2,-0.3 -0.462 34.8 171.9 -69.3 118.6 76.2 7.2 -20.2 4 7 A T B -A 10 0A 69 -2,-0.3 2,-0.1 6,-0.3 5,-0.1 -0.798 33.1-109.9-117.1 167.7 75.6 3.6 -19.3 5 8 A T > - 0 0 26 4,-2.8 3,-1.7 -2,-0.3 6,-0.1 -0.403 46.4 -90.2 -81.0-180.0 72.3 1.9 -18.0 6 9 A A T 3 S+ 0 0 79 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.675 127.8 52.9 -69.1 -15.5 72.0 0.7 -14.4 7 10 A A T 3 S- 0 0 95 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.317 124.4 -96.1-104.6 10.2 73.4 -2.7 -15.5 8 11 A G S < S+ 0 0 49 -3,-1.7 -2,-0.1 1,-0.3 0, 0.0 0.290 79.7 127.9 105.1 -11.3 76.6 -1.4 -17.2 9 12 A A - 0 0 53 1,-0.1 -4,-2.8 -5,-0.1 -1,-0.3 -0.496 61.0-104.9 -89.9 148.0 75.6 -1.2 -20.9 10 13 A P B -A 4 0A 98 0, 0.0 2,-0.7 0, 0.0 -6,-0.3 -0.419 22.6-132.7 -71.8 142.1 76.0 1.9 -23.0 11 14 A V - 0 0 24 -8,-2.1 -8,-0.2 1,-0.2 3,-0.2 -0.873 15.4-164.3-103.4 122.6 73.2 4.0 -23.9 12 15 A V S S+ 0 0 140 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.825 72.3 14.2 -68.2 -45.9 73.3 4.7 -27.5 13 16 A D + 0 0 67 1,-0.1 -1,-0.3 3,-0.1 19,-0.1 -0.960 50.2 175.0-145.0 120.6 70.9 7.7 -27.8 14 17 A N S S+ 0 0 55 -2,-0.4 3,-0.1 -3,-0.2 -1,-0.1 0.021 83.2 50.5-107.6 19.1 69.6 9.6 -24.9 15 18 A N S S+ 0 0 142 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.593 102.9 48.9-136.4 -11.3 67.8 12.1 -27.1 16 19 A N - 0 0 117 3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.988 68.7-140.2-135.5 128.3 65.6 10.2 -29.6 17 20 A V - 0 0 57 -2,-0.4 2,-0.4 -3,-0.1 -3,-0.0 -0.407 34.3 -96.0 -79.1 158.9 63.2 7.3 -28.8 18 21 A I + 0 0 66 9,-0.2 9,-1.8 -2,-0.1 2,-0.3 -0.665 53.6 177.0 -75.2 124.0 62.9 4.2 -31.1 19 22 A T B -B 26 0B 56 -2,-0.4 2,-1.7 7,-0.3 7,-0.2 -0.854 41.3-110.0-133.5 148.9 59.9 5.0 -33.4 20 23 A A S S- 0 0 53 5,-2.9 3,-0.2 -2,-0.3 6,-0.1 -0.690 95.1 -26.0 -83.8 89.1 58.4 3.0 -36.2 21 24 A G S > S- 0 0 40 -2,-1.7 3,-2.5 1,-0.2 -1,-0.1 0.121 98.0 -64.6 81.5 157.9 59.6 5.4 -38.9 22 25 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.671 137.5 24.7 -50.9 -26.3 60.3 9.1 -38.5 23 26 A R T 3 S+ 0 0 249 -3,-0.2 -2,-0.1 2,-0.0 0, 0.0 -0.148 104.8 114.4-134.2 34.0 56.7 10.1 -37.6 24 27 A G S < S- 0 0 22 -3,-2.5 -3,-0.1 1,-0.2 0, 0.0 -0.538 71.9 -81.8-102.0 167.3 55.6 6.7 -36.3 25 28 A P - 0 0 103 0, 0.0 -5,-2.9 0, 0.0 2,-0.3 -0.222 54.4 -94.8 -55.8 158.8 54.5 5.3 -32.9 26 29 A M B -B 19 0B 101 -7,-0.2 -7,-0.3 1,-0.1 2,-0.2 -0.644 34.7-124.7 -82.3 143.8 57.2 4.3 -30.3 27 30 A L > - 0 0 65 -9,-1.8 3,-1.4 -2,-0.3 -9,-0.2 -0.540 10.1-130.9 -88.8 147.3 58.3 0.8 -30.0 28 31 A L T 3 S+ 0 0 145 1,-0.3 6,-0.1 -2,-0.2 -1,-0.1 0.789 99.8 72.3 -67.3 -22.0 58.1 -1.1 -26.8 29 32 A Q T 3 + 0 0 139 1,-0.1 2,-2.2 2,-0.1 -1,-0.3 0.376 57.5 108.0 -86.7 12.4 61.7 -2.2 -27.2 30 33 A D <> + 0 0 18 -3,-1.4 4,-1.6 1,-0.2 3,-0.1 -0.537 47.5 175.5 -76.6 83.0 63.3 1.2 -26.4 31 34 A V H > + 0 0 103 -2,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.740 69.5 59.2 -66.0 -27.4 64.5 -0.2 -23.1 32 35 A W H > S+ 0 0 40 2,-0.2 4,-3.8 -3,-0.2 5,-0.3 0.969 105.5 52.5 -63.0 -45.9 66.6 2.9 -22.0 33 36 A F H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.916 111.6 45.2 -52.0 -50.2 63.3 4.9 -22.3 34 37 A L H X S+ 0 0 78 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.949 118.1 44.0 -61.8 -47.0 61.5 2.3 -20.0 35 38 A E H X S+ 0 0 54 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.881 114.2 47.9 -63.0 -44.7 64.5 2.3 -17.5 36 39 A K H X S+ 0 0 88 -4,-3.8 4,-1.7 2,-0.2 -2,-0.2 0.940 117.9 39.5 -69.9 -40.0 65.0 6.0 -17.4 37 40 A L H X S+ 0 0 61 -4,-2.5 4,-2.8 -5,-0.3 -2,-0.2 0.905 110.9 56.9 -81.1 -33.5 61.4 6.9 -16.9 38 41 A A H < S+ 0 0 38 -4,-2.2 4,-0.4 -5,-0.3 -1,-0.2 0.886 111.0 44.6 -59.1 -40.5 60.6 4.1 -14.5 39 42 A H H >< S+ 0 0 121 -4,-1.7 3,-1.5 -5,-0.2 -1,-0.2 0.918 112.6 52.7 -71.4 -36.3 63.5 5.3 -12.2 40 43 A F H >< S+ 0 0 121 -4,-1.7 3,-1.7 1,-0.3 4,-0.2 0.936 101.7 58.7 -65.4 -39.3 62.3 8.9 -12.6 41 44 A D T 3< S+ 0 0 110 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.671 109.4 48.4 -64.9 -9.3 58.8 8.0 -11.6 42 45 A R T < S+ 0 0 182 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.059 74.6 107.5-117.1 23.4 60.3 6.8 -8.4 43 46 A E < + 0 0 130 -3,-1.7 2,-0.3 2,-0.0 -1,-0.1 0.797 63.8 74.4 -73.9 -28.0 62.6 9.6 -7.2 44 47 A V - 0 0 108 -4,-0.2 3,-0.0 -3,-0.1 0, 0.0 -0.662 56.4-169.3 -98.2 141.5 60.5 10.9 -4.2 45 48 A I - 0 0 43 -2,-0.3 2,-0.1 1,-0.1 297,-0.1 -0.665 45.7 -73.4-107.0 168.4 60.1 9.2 -0.9 46 49 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.423 51.5-120.5 -61.7 142.5 57.5 10.4 1.8 47 50 A E - 0 0 59 1,-0.1 5,-0.1 -2,-0.1 2,-0.1 -0.305 41.7 -78.6 -77.8 168.6 58.4 13.6 3.6 48 51 A R - 0 0 23 4,-0.2 4,-0.2 1,-0.1 -1,-0.1 -0.422 36.1-129.8 -64.4 142.8 58.8 13.7 7.3 49 52 A R S S+ 0 0 156 1,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.757 96.5 17.5 -65.4 -24.1 55.4 13.8 9.1 50 53 A X S S+ 0 0 26 1,-0.1 -1,-0.2 2,-0.0 43,-0.2 -0.985 129.4 23.9-144.9 142.1 56.6 16.8 11.2 51 54 A H + 0 0 34 41,-2.7 41,-0.1 -2,-0.3 42,-0.1 0.843 68.4 158.0 69.2 40.7 59.7 19.1 10.4 52 55 A A + 0 0 2 40,-0.6 2,-0.5 42,-0.5 -4,-0.2 0.792 55.2 67.1 -73.2 -25.1 59.5 18.3 6.7 53 56 A K S S+ 0 0 10 41,-0.7 38,-1.9 46,-0.1 2,-0.3 -0.836 73.4 133.2 -95.3 128.6 61.4 21.5 5.6 54 57 A G E -C 90 0C 2 -2,-0.5 2,-0.3 36,-0.3 36,-0.3 -0.910 39.7-147.7-162.7 173.0 65.1 21.5 6.8 55 58 A S E -C 89 0C 0 34,-3.0 34,-3.5 -2,-0.3 2,-0.3 -0.970 19.9-173.6-148.1 158.1 68.8 22.1 6.2 56 59 A G E -C 88 0C 3 -2,-0.3 2,-0.3 32,-0.3 32,-0.2 -0.909 10.2-176.6-148.0 176.7 71.9 20.4 7.6 57 60 A A E -C 87 0C 0 30,-1.8 30,-3.3 -2,-0.3 2,-0.3 -0.972 27.0-113.0-167.2 163.8 75.6 20.4 7.7 58 61 A F E +CD 86 296C 21 238,-3.8 238,-2.8 -2,-0.3 237,-1.5 -0.783 44.6 143.0-104.4 152.4 78.4 18.5 9.1 59 62 A G E -CD 85 294C 4 26,-3.0 26,-3.3 -2,-0.3 2,-0.3 -0.921 38.6 -88.4-164.2-163.3 80.7 19.7 11.9 60 63 A T E -CD 84 293C 40 233,-2.4 233,-2.4 -2,-0.3 2,-0.4 -0.962 15.5-153.3-134.2 139.1 82.7 19.0 15.0 61 64 A F E -CD 83 292C 1 22,-3.4 22,-2.4 -2,-0.3 2,-0.4 -0.938 13.7-166.8-106.9 132.9 82.1 19.0 18.8 62 65 A T E -CD 82 291C 10 229,-2.9 229,-1.8 -2,-0.4 2,-0.3 -0.976 18.2-131.8-122.0 130.6 85.1 19.6 21.2 63 66 A V E + D 0 290C 1 18,-2.1 17,-3.5 -2,-0.4 227,-0.3 -0.576 28.6 170.0 -75.5 133.4 85.0 19.0 24.9 64 67 A T + 0 0 46 225,-2.9 2,-0.3 -2,-0.3 226,-0.2 0.485 59.3 42.5-118.7 -7.6 86.3 21.9 26.9 65 68 A H S S- 0 0 82 224,-2.0 2,-0.8 222,-0.1 -1,-0.1 -0.953 82.3-110.2-138.4 157.7 85.4 21.0 30.6 66 69 A D + 0 0 108 -2,-0.3 3,-0.2 1,-0.2 11,-0.1 -0.797 41.0 157.8 -92.2 113.0 85.5 17.9 32.5 67 70 A I >> + 0 0 3 -2,-0.8 3,-2.3 9,-0.6 4,-1.3 0.256 35.0 120.8-113.4 19.7 82.1 16.5 33.3 68 71 A T T 34 + 0 0 55 1,-0.3 133,-0.4 8,-0.3 -1,-0.1 0.677 61.8 69.8 -53.4 -24.7 83.4 12.9 33.9 69 72 A K T 34 S+ 0 0 128 1,-0.2 -1,-0.3 -3,-0.2 133,-0.2 0.796 110.4 32.7 -63.9 -29.7 82.0 12.9 37.5 70 73 A Y T <4 S+ 0 0 36 -3,-2.3 2,-0.4 1,-0.2 136,-0.2 0.735 123.5 37.1 -99.2 -27.5 78.4 12.8 36.2 71 74 A T < - 0 0 0 -4,-1.3 129,-0.3 127,-0.1 -1,-0.2 -0.968 45.8-164.0-138.9 128.2 78.8 10.8 33.0 72 75 A R + 0 0 67 127,-2.7 2,-0.2 -2,-0.4 128,-0.1 0.269 51.8 135.9 -80.4 13.6 80.8 7.9 31.8 73 76 A A >> - 0 0 0 245,-0.3 3,-1.0 126,-0.2 4,-0.7 -0.446 55.8-138.1 -74.8 136.1 79.9 8.8 28.2 74 77 A K G >4 S+ 0 0 76 243,-0.3 3,-1.0 1,-0.3 4,-0.2 0.826 98.3 63.8 -63.6 -32.0 82.8 8.6 25.8 75 78 A I G 34 S+ 0 0 1 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.881 114.2 35.6 -60.9 -29.4 82.1 11.8 23.9 76 79 A F G <4 S+ 0 0 1 -3,-1.0 -9,-0.6 1,-0.2 -8,-0.3 0.481 88.2 105.6-102.0 -3.1 82.6 13.7 27.2 77 80 A S S << S+ 0 0 39 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 0.537 82.3 24.5 -57.9 -15.3 85.5 11.6 28.6 78 81 A E S > S- 0 0 127 -3,-0.3 3,-2.6 -4,-0.2 -15,-0.3 -0.866 80.4-112.3-162.2 118.8 88.5 13.9 28.0 79 82 A V T 3 S+ 0 0 77 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.110 106.3 27.6 -46.3 141.1 88.9 17.7 27.6 80 83 A G T 3 S+ 0 0 46 -17,-3.5 -1,-0.3 1,-0.3 2,-0.2 0.288 85.1 144.2 82.8 -12.4 90.0 18.5 24.0 81 84 A K < - 0 0 45 -3,-2.6 -18,-2.1 -19,-0.1 2,-0.5 -0.439 38.9-148.7 -66.2 131.7 88.3 15.3 22.5 82 85 A K E -C 62 0C 127 -20,-0.2 2,-0.4 -2,-0.2 -20,-0.2 -0.878 15.5-176.5-101.3 125.2 86.8 16.0 19.1 83 86 A T E -C 61 0C 7 -22,-2.4 -22,-3.4 -2,-0.5 2,-0.2 -0.988 22.7-130.6-122.0 134.7 83.7 14.1 17.9 84 87 A E E -CE 60 113C 105 29,-0.5 29,-2.4 -2,-0.4 2,-0.3 -0.492 31.6-177.7 -85.6 153.9 82.3 14.6 14.4 85 88 A M E -CE 59 112C 2 -26,-3.3 -26,-3.0 27,-0.2 2,-0.4 -0.975 27.1-140.9-150.0 160.4 78.8 15.3 14.0 86 89 A F E -CE 58 111C 0 25,-2.5 25,-2.9 -2,-0.3 2,-0.4 -0.963 22.2-164.1-121.5 142.4 75.9 16.0 11.6 87 90 A A E -CE 57 110C 0 -30,-3.3 -30,-1.8 -2,-0.4 2,-0.5 -0.995 8.9-167.2-129.0 136.2 73.1 18.5 12.3 88 91 A R E -CE 56 109C 7 21,-2.7 21,-2.2 -2,-0.4 2,-0.3 -0.973 5.7-169.2-122.3 126.5 69.7 19.1 10.7 89 92 A F E +CE 55 108C 1 -34,-3.5 -34,-3.0 -2,-0.5 2,-0.3 -0.849 18.3 163.2-105.7 149.3 67.8 22.3 11.4 90 93 A S E -CE 54 107C 6 17,-1.2 17,-2.0 -2,-0.3 -36,-0.3 -0.931 37.9-120.0-153.0 167.8 64.1 22.5 10.4 91 94 A T - 0 0 0 -38,-1.9 16,-0.1 -2,-0.3 15,-0.1 -0.274 31.2-135.5 -94.5-160.3 60.7 24.4 10.7 92 95 A V S S+ 0 0 10 13,-0.2 -41,-2.7 -41,-0.1 -40,-0.6 0.767 82.7 33.6-118.3 -56.3 57.7 22.3 12.0 93 96 A A S S+ 0 0 5 -43,-0.2 11,-0.0 12,-0.1 -41,-0.0 0.816 91.6 92.6 -77.0 -43.2 54.5 22.7 10.1 94 97 A G - 0 0 0 5,-0.2 -41,-0.7 1,-0.1 -42,-0.5 -0.258 66.8-132.9 -63.1 146.6 55.5 23.4 6.5 95 98 A E > - 0 0 35 -43,-0.2 3,-2.5 -44,-0.1 -1,-0.1 -0.272 49.6 -59.9 -84.4-174.3 55.8 20.7 4.0 96 99 A R T 3 S+ 0 0 138 1,-0.3 -42,-0.2 -48,-0.1 -2,-0.1 0.534 132.8 28.1 -41.1 -31.8 58.7 20.0 1.6 97 100 A G T 3 S+ 0 0 55 -44,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.259 91.1 126.1-121.4 14.0 58.5 23.3 -0.3 98 101 A A < - 0 0 21 -3,-2.5 4,-0.1 1,-0.2 2,-0.0 -0.086 69.1 -71.4 -73.3 170.6 57.1 25.7 2.2 99 102 A A - 0 0 10 1,-0.1 3,-0.3 2,-0.1 -1,-0.2 -0.328 29.5-152.9 -66.8 135.1 58.5 29.0 3.3 100 103 A D S S+ 0 0 0 134,-1.7 2,-1.6 133,-0.2 -1,-0.1 0.878 87.4 63.8 -68.1 -46.2 61.5 29.0 5.5 101 104 A A S S+ 0 0 8 132,-0.3 2,-0.3 125,-0.1 129,-0.2 -0.456 73.6 129.6 -88.3 69.1 60.8 32.3 7.2 102 105 A E - 0 0 54 -2,-1.6 2,-0.7 -3,-0.3 -8,-0.0 -0.870 69.4-100.5-112.8 155.2 57.5 31.4 9.0 103 106 A R S S+ 0 0 50 -2,-0.3 2,-0.3 78,-0.1 78,-0.2 -0.646 77.5 110.2 -75.5 114.0 56.6 32.0 12.6 104 107 A D S S- 0 0 17 76,-1.5 -2,-0.0 -2,-0.7 2,-0.0 -0.967 73.8 -75.5-173.3 164.4 57.2 28.5 14.1 105 108 A I - 0 0 2 -2,-0.3 2,-0.4 76,-0.1 -13,-0.2 -0.341 46.4-135.2 -61.8 152.8 59.4 26.4 16.4 106 109 A R - 0 0 3 -15,-0.1 19,-1.7 -14,-0.1 2,-0.3 -0.972 13.1-129.1-114.0 137.8 62.7 25.5 14.8 107 110 A G E -EF 90 124C 4 -17,-2.0 -17,-1.2 -2,-0.4 2,-0.4 -0.636 17.2-167.2 -81.2 146.1 64.0 21.9 15.1 108 111 A F E +EF 89 123C 0 15,-3.2 15,-2.2 -2,-0.3 2,-0.5 -0.837 17.1 171.4-133.8 85.0 67.6 21.6 16.4 109 112 A A E -EF 88 122C 11 -21,-2.2 -21,-2.7 -2,-0.4 2,-0.4 -0.914 7.6-174.7-109.8 127.9 68.7 17.9 15.7 110 113 A L E -EF 87 121C 0 11,-2.5 11,-2.8 -2,-0.5 2,-0.4 -0.949 11.8-162.4-121.0 142.9 72.2 16.7 16.2 111 114 A K E -EF 86 120C 1 -25,-2.9 -25,-2.5 -2,-0.4 2,-0.5 -0.999 9.5-161.8-126.1 121.3 73.8 13.3 15.5 112 115 A F E -EF 85 119C 1 7,-3.5 7,-2.7 -2,-0.4 2,-1.3 -0.950 11.3-146.8-110.2 123.2 77.2 12.6 17.2 113 116 A Y E +EF 84 118C 17 -29,-2.4 -29,-0.5 -2,-0.5 2,-0.2 -0.723 36.4 167.0 -94.2 89.8 79.3 9.8 15.8 114 117 A T E > - 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0 0 59 -2,-0.3 4,-2.3 1,-0.1 -1,-0.1 0.072 26.1-109.4 -67.9 174.0 59.2 44.8 27.0 428 431 A D H > S+ 0 0 97 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.873 120.4 53.9 -75.5 -28.0 55.9 46.7 26.4 429 432 A D H > S+ 0 0 110 2,-0.2 4,-2.0 1,-0.2 3,-0.4 0.978 109.4 46.8 -66.6 -50.2 56.7 47.1 22.8 430 433 A E H > S+ 0 0 30 1,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.911 110.8 53.4 -58.3 -42.5 57.2 43.3 22.5 431 434 A H H X S+ 0 0 8 -4,-2.3 4,-2.5 1,-0.2 -1,-0.3 0.865 105.9 53.4 -62.6 -33.4 53.9 42.7 24.4 432 435 A Q H X S+ 0 0 112 -4,-2.0 4,-1.9 -3,-0.4 -1,-0.2 0.914 109.2 48.7 -70.0 -35.6 52.1 45.0 22.0 433 436 A R H X S+ 0 0 78 -4,-2.0 4,-3.2 2,-0.2 3,-0.3 0.969 110.1 51.7 -64.5 -50.1 53.4 42.9 19.1 434 437 A M H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.3 5,-0.3 0.904 107.5 51.6 -50.4 -49.1 52.4 39.7 20.8 435 438 A F H X S+ 0 0 8 -4,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.902 113.0 46.5 -59.0 -37.2 48.9 41.0 21.4 436 439 A A H X S+ 0 0 58 -4,-1.9 4,-2.3 -3,-0.3 -2,-0.2 0.930 112.4 49.6 -69.7 -43.9 48.7 41.8 17.7 437 440 A R H X S+ 0 0 20 -4,-3.2 4,-0.6 1,-0.2 -2,-0.2 0.889 115.1 43.0 -63.9 -41.1 50.1 38.5 16.6 438 441 A I H >X S+ 0 0 0 -4,-3.2 4,-4.0 -5,-0.2 3,-1.1 0.921 111.5 54.6 -71.3 -43.6 47.7 36.5 18.7 439 442 A A H 3X S+ 0 0 1 -4,-2.4 4,-3.2 -5,-0.3 5,-0.3 0.917 101.0 57.9 -62.7 -39.7 44.7 38.6 17.8 440 443 A G H 3< S+ 0 0 34 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.767 119.7 31.9 -58.5 -26.8 45.2 38.2 14.0 441 444 A E H X< S+ 0 0 38 -3,-1.1 3,-1.1 -4,-0.6 -2,-0.2 0.872 121.0 47.2 -94.2 -52.2 44.9 34.4 14.7 442 445 A L H >< S+ 0 0 0 -4,-4.0 3,-2.3 1,-0.3 -3,-0.2 0.815 101.2 65.6 -67.4 -29.0 42.5 34.3 17.6 443 446 A S T 3< S+ 0 0 37 -4,-3.2 -1,-0.3 -5,-0.3 -3,-0.1 0.802 95.6 60.2 -59.0 -30.0 40.0 36.8 16.0 444 447 A Q T < S+ 0 0 126 -3,-1.1 -1,-0.3 -5,-0.3 -2,-0.2 0.535 93.4 92.3 -73.3 -8.8 39.3 34.2 13.4 445 448 A A S < S- 0 0 9 -3,-2.3 -289,-0.1 -4,-0.2 5,-0.1 -0.309 91.8 -73.4 -88.5 173.4 38.1 31.7 16.0 446 449 A S > - 0 0 61 -290,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.268 43.0-120.9 -53.4 144.9 34.7 30.8 17.5 447 450 A K H > S+ 0 0 181 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.917 116.9 54.4 -61.2 -35.3 33.5 33.5 19.9 448 451 A E H > S+ 0 0 131 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.926 109.3 48.4 -59.5 -43.4 33.3 30.8 22.6 449 452 A T H > S+ 0 0 5 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.871 109.0 51.8 -65.6 -40.2 37.0 30.0 21.9 450 453 A Q H X S+ 0 0 32 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.938 112.9 46.1 -62.1 -43.6 38.1 33.6 22.0 451 454 A Q H X S+ 0 0 106 -4,-2.3 4,-2.7 2,-0.2 3,-0.3 0.984 114.1 46.3 -63.3 -59.0 36.5 34.1 25.3 452 455 A R H X S+ 0 0 56 -4,-2.9 4,-1.9 1,-0.3 -2,-0.2 0.869 115.0 48.3 -54.2 -39.7 37.9 30.8 26.8 453 456 A Q H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.3 0.914 108.8 51.6 -69.4 -39.8 41.3 31.6 25.5 454 457 A I H X S+ 0 0 8 -4,-2.6 4,-2.5 -3,-0.3 -2,-0.2 0.947 106.4 55.4 -67.0 -36.2 41.3 35.2 26.8 455 458 A D H X S+ 0 0 90 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.915 108.5 49.8 -58.9 -38.6 40.3 33.8 30.2 456 459 A L H X S+ 0 0 18 -4,-1.9 4,-0.7 1,-0.2 -2,-0.2 0.936 110.9 46.7 -65.3 -46.1 43.5 31.6 29.9 457 460 A F H >X S+ 0 0 0 -4,-2.6 4,-1.4 1,-0.2 3,-1.0 0.879 107.6 58.2 -61.4 -37.9 45.8 34.5 29.0 458 461 A T H 3< S+ 0 0 49 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.879 99.7 57.8 -58.2 -43.3 44.4 36.7 31.8 459 462 A K H 3< S+ 0 0 118 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.668 100.8 56.8 -65.1 -20.2 45.3 34.1 34.4 460 463 A V H << S- 0 0 0 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.890 141.6 -32.2 -73.3 -46.5 48.9 34.4 33.2 461 464 A H >X - 0 0 45 -4,-1.4 4,-1.5 -3,-0.2 3,-1.4 -0.791 62.4-123.3-168.2 132.5 48.9 38.2 34.0 462 465 A P H 3> S+ 0 0 88 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.845 109.2 57.5 -60.1 -30.0 45.7 40.2 33.6 463 466 A E H 3> S+ 0 0 78 1,-0.2 4,-2.6 2,-0.2 -5,-0.1 0.723 102.4 55.8 -75.5 -11.9 47.3 42.7 31.1 464 467 A Y H <> S+ 0 0 0 -3,-1.4 4,-2.1 -7,-0.2 -6,-0.2 0.951 110.9 42.9 -77.7 -49.0 48.2 39.9 28.8 465 468 A G H X S+ 0 0 0 -4,-1.5 4,-2.3 -8,-0.4 -2,-0.2 0.951 118.2 46.3 -59.7 -46.8 44.5 38.8 28.6 466 469 A A H X S+ 0 0 28 -4,-2.5 4,-2.8 1,-0.2 5,-0.3 0.946 107.4 56.6 -60.5 -52.8 43.5 42.4 28.3 467 470 A G H X S+ 0 0 2 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.860 111.0 44.5 -48.1 -43.8 46.1 43.2 25.6 468 471 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.905 113.7 49.3 -69.5 -42.2 44.7 40.3 23.4 469 472 A E H X S+ 0 0 98 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.920 114.3 45.2 -59.5 -45.8 41.1 41.3 24.0 470 473 A K H X S+ 0 0 123 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.873 112.9 52.0 -64.2 -43.9 41.8 44.9 23.2 471 474 A A H < S+ 0 0 18 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.831 108.4 50.4 -70.1 -35.0 43.9 43.8 20.1 472 475 A I H >< S+ 0 0 24 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.975 108.7 52.3 -65.6 -50.9 41.0 41.7 18.8 473 476 A K H 3< S+ 0 0 184 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.821 96.9 67.0 -56.7 -36.9 38.5 44.6 19.1 474 477 A V T 3< 0 0 122 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.548 360.0 360.0 -61.9 -5.3 40.8 46.9 17.1 475 478 A L < 0 0 145 -3,-2.5 -3,-0.0 -4,-0.1 -4,-0.0 -0.775 360.0 360.0-104.1 360.0 40.1 44.7 14.0