==== 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) 12-JUN-96 2CAG . COMPND 2 MOLECULE: CATALASE COMPOUND II; . SOURCE 2 ORGANISM_SCIENTIFIC: PROTEUS MIRABILIS; . AUTHOR P.GOUET,H.M.JOUVE,J.HAJDU . 475 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24966.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 298 62.7 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 . 39 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 59 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 110 23.2 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 1 2 2 0 2 0 1 1 0 0 1 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 0 258 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -56.8 81.3 11.0 -18.9 2 5 A K - 0 0 194 1,-0.1 2,-0.5 8,-0.0 0, 0.0 -0.604 360.0-124.7 -91.0 136.4 79.6 8.1 -20.8 3 6 A L + 0 0 80 -2,-0.3 8,-3.0 8,-0.2 2,-0.3 -0.651 34.2 171.3 -83.6 122.3 76.0 7.2 -20.2 4 7 A T B -A 10 0A 71 -2,-0.5 5,-0.1 6,-0.3 2,-0.1 -0.791 33.6-109.3-115.9 164.4 75.3 3.5 -19.3 5 8 A T > - 0 0 26 4,-2.9 3,-1.4 -2,-0.3 -1,-0.1 -0.299 47.5 -87.9 -77.6-176.6 72.1 1.9 -18.2 6 9 A A T 3 S+ 0 0 76 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.628 127.7 50.8 -67.8 -12.5 71.8 0.7 -14.6 7 10 A A T 3 S- 0 0 93 2,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.284 124.3 -91.7-113.6 12.9 73.3 -2.7 -15.6 8 11 A G S < S+ 0 0 48 -3,-1.4 -2,-0.1 1,-0.3 0, 0.0 0.114 80.7 129.5 109.2 -23.3 76.4 -1.5 -17.4 9 12 A A - 0 0 53 -5,-0.1 -4,-2.9 1,-0.1 -1,-0.3 -0.404 61.9-108.8 -75.6 140.3 75.3 -1.2 -21.0 10 13 A P B -A 4 0A 105 0, 0.0 2,-0.7 0, 0.0 -6,-0.3 -0.337 25.1-130.6 -57.7 136.2 76.0 1.9 -23.1 11 14 A V - 0 0 21 -8,-3.0 -8,-0.2 1,-0.2 3,-0.2 -0.866 19.0-163.8 -95.7 126.7 72.9 4.0 -23.9 12 15 A V S S+ 0 0 146 -2,-0.7 2,-0.5 1,-0.2 -1,-0.2 0.936 70.3 14.6 -77.1 -50.4 73.2 4.6 -27.4 13 16 A D + 0 0 72 1,-0.1 -1,-0.2 3,-0.1 3,-0.1 -0.928 52.4 174.8-137.2 111.3 70.7 7.6 -27.9 14 17 A N S S+ 0 0 56 -2,-0.5 3,-0.1 -3,-0.2 -1,-0.1 0.170 78.6 51.2 -93.4 15.7 69.5 9.5 -25.0 15 18 A N S S+ 0 0 134 1,-0.3 2,-0.4 2,-0.0 -1,-0.1 0.618 102.2 46.9-132.4 -10.2 67.6 12.0 -27.1 16 19 A N S S- 0 0 112 -3,-0.1 -1,-0.3 3,-0.0 -3,-0.1 -0.998 71.0-138.4-129.6 134.4 65.3 10.3 -29.6 17 20 A V - 0 0 64 -2,-0.4 2,-0.7 -3,-0.1 -3,-0.0 -0.230 35.3 -93.0 -78.5 170.3 63.0 7.3 -28.8 18 21 A I + 0 0 68 9,-0.2 9,-1.9 2,-0.0 2,-0.3 -0.828 53.8 175.6 -85.0 121.2 62.6 4.3 -31.1 19 22 A T B -B 26 0B 54 -2,-0.7 2,-1.6 7,-0.2 7,-0.2 -0.845 41.1-112.3-129.8 145.8 59.6 5.0 -33.4 20 23 A A S S- 0 0 55 5,-2.5 3,-0.2 -2,-0.3 -2,-0.0 -0.763 97.3 -19.1 -85.6 96.5 58.2 3.0 -36.4 21 24 A G S > S- 0 0 40 -2,-1.6 3,-2.1 1,-0.2 -1,-0.1 0.272 99.2 -70.3 78.7 156.3 59.2 5.4 -38.9 22 25 A P T 3 S+ 0 0 135 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.555 133.7 23.9 -55.0 -18.4 60.1 9.1 -38.3 23 26 A R T 3 S+ 0 0 248 -3,-0.2 -2,-0.1 2,-0.0 0, 0.0 -0.207 105.8 105.1-141.0 35.2 56.5 10.2 -37.5 24 27 A G S < S- 0 0 23 -3,-2.1 -3,-0.1 1,-0.2 0, 0.0 -0.628 76.6 -64.2-115.4 172.2 55.1 6.8 -36.4 25 28 A P - 0 0 98 0, 0.0 -5,-2.5 0, 0.0 2,-0.3 -0.065 54.2-101.3 -48.5 155.5 54.2 5.2 -33.0 26 29 A M B -B 19 0B 91 -7,-0.2 2,-0.3 1,-0.0 -7,-0.2 -0.711 35.5-129.5 -81.2 142.8 56.7 4.4 -30.2 27 30 A L > - 0 0 64 -9,-1.9 3,-1.7 -2,-0.3 -9,-0.2 -0.664 8.9-128.6 -91.6 143.4 57.9 0.8 -29.9 28 31 A L T 3 S+ 0 0 142 1,-0.3 6,-0.1 -2,-0.3 -1,-0.1 0.737 99.5 73.2 -64.1 -22.4 57.9 -1.2 -26.6 29 32 A Q T 3 + 0 0 135 1,-0.1 2,-2.3 2,-0.1 -1,-0.3 0.404 57.3 107.9 -84.5 8.7 61.4 -2.2 -27.1 30 33 A D <> + 0 0 18 -3,-1.7 4,-1.8 1,-0.2 -1,-0.1 -0.525 46.6 175.2 -77.3 84.8 63.0 1.2 -26.4 31 34 A V H > S+ 0 0 104 -2,-2.3 4,-2.3 1,-0.2 5,-0.2 0.749 70.1 58.4 -70.0 -23.7 64.3 -0.2 -23.1 32 35 A W H > S+ 0 0 41 2,-0.2 4,-3.8 -3,-0.2 5,-0.3 0.978 105.7 52.4 -64.1 -46.6 66.3 2.9 -22.0 33 36 A F H > S+ 0 0 66 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.939 113.2 44.3 -50.9 -52.3 63.0 4.9 -22.2 34 37 A L H X S+ 0 0 76 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.935 116.8 43.9 -58.0 -51.2 61.3 2.4 -20.0 35 38 A E H X S+ 0 0 55 -4,-2.3 4,-1.8 2,-0.2 5,-0.3 0.927 115.6 49.3 -62.4 -45.1 64.2 2.2 -17.5 36 39 A K H X S+ 0 0 91 -4,-3.8 4,-2.5 1,-0.2 -2,-0.2 0.944 116.7 38.9 -62.1 -46.2 64.8 6.0 -17.4 37 40 A L H X S+ 0 0 57 -4,-2.8 4,-3.4 -5,-0.3 -1,-0.2 0.763 111.2 58.1 -79.4 -26.7 61.2 6.9 -16.8 38 41 A A H < S+ 0 0 38 -4,-2.0 4,-0.4 -5,-0.3 -1,-0.2 0.851 110.9 42.4 -68.9 -36.2 60.5 4.1 -14.5 39 42 A H H >< S+ 0 0 120 -4,-1.8 3,-1.9 -5,-0.2 -2,-0.2 0.946 114.8 52.1 -76.4 -43.8 63.3 5.3 -12.2 40 43 A F H >< S+ 0 0 119 -4,-2.5 3,-2.1 -5,-0.3 -2,-0.2 0.966 102.3 58.7 -57.7 -46.8 62.1 8.9 -12.7 41 44 A D T 3< S+ 0 0 112 -4,-3.4 -1,-0.3 1,-0.3 3,-0.2 0.722 110.5 46.4 -53.7 -13.7 58.5 7.9 -11.8 42 45 A R T < S+ 0 0 186 -3,-1.9 -1,-0.3 -4,-0.4 -2,-0.2 0.124 73.0 112.4-117.8 21.7 60.0 6.8 -8.4 43 46 A E < + 0 0 135 -3,-2.1 2,-0.4 -4,-0.1 -1,-0.1 0.612 62.8 74.2 -70.7 -14.9 62.3 9.6 -7.3 44 47 A V - 0 0 103 -3,-0.2 3,-0.1 -4,-0.2 0, 0.0 -0.851 54.9-167.5-111.7 143.2 60.3 10.8 -4.2 45 48 A I - 0 0 45 -2,-0.4 297,-0.1 1,-0.1 296,-0.1 -0.700 44.8 -76.1-109.5 162.7 59.8 9.2 -0.8 46 49 A P - 0 0 55 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.291 51.9-121.2 -52.5 142.5 57.2 10.4 1.8 47 50 A E - 0 0 57 1,-0.2 2,-0.1 2,-0.1 5,-0.1 -0.352 40.3 -76.2 -83.7 172.6 58.1 13.5 3.7 48 51 A R - 0 0 22 4,-0.2 4,-0.2 1,-0.2 -1,-0.2 -0.440 34.8-131.5 -63.9 136.8 58.5 13.7 7.3 49 52 A R S S+ 0 0 151 1,-0.2 2,-0.3 -2,-0.1 -1,-0.2 0.679 94.9 17.1 -60.9 -19.5 55.2 13.8 9.1 50 53 A X S S+ 0 0 26 1,-0.1 -1,-0.2 41,-0.0 43,-0.2 -0.963 126.9 23.9-153.9 143.1 56.5 16.8 11.1 51 54 A H + 0 0 35 41,-2.6 41,-0.2 -2,-0.3 -1,-0.1 0.922 69.0 157.8 65.9 50.5 59.4 19.1 10.5 52 55 A A + 0 0 1 42,-0.7 2,-0.5 40,-0.6 -4,-0.2 0.759 53.5 65.9 -83.2 -20.7 59.4 18.4 6.7 53 56 A K S S+ 0 0 12 41,-0.6 38,-2.2 46,-0.1 2,-0.3 -0.901 73.4 130.2 -99.2 129.1 61.1 21.6 5.6 54 57 A G E -C 90 0C 2 -2,-0.5 36,-0.3 36,-0.3 2,-0.3 -0.965 41.6-143.4-165.3 176.4 64.8 21.7 6.8 55 58 A S E -C 89 0C 0 34,-3.1 34,-2.8 -2,-0.3 2,-0.3 -0.915 22.4-168.5-144.2 165.3 68.5 22.2 6.1 56 59 A G E -C 88 0C 4 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.931 11.5-179.0-155.8 173.5 71.6 20.5 7.4 57 60 A A E -C 87 0C 0 30,-2.0 30,-3.7 -2,-0.3 2,-0.3 -0.962 29.0-108.6-171.7 164.1 75.3 20.4 7.8 58 61 A F E +CD 86 296C 24 238,-3.1 238,-2.2 -2,-0.3 237,-2.0 -0.800 43.9 157.8-102.0 144.0 78.2 18.5 9.2 59 62 A G E -CD 85 294C 6 26,-3.9 26,-2.3 -2,-0.3 2,-0.4 -0.776 33.9-102.0-150.1-169.0 80.2 19.8 12.2 60 63 A T E -CD 84 293C 39 233,-2.5 233,-2.2 -2,-0.2 2,-0.4 -0.997 16.6-153.0-138.0 129.9 82.5 19.1 15.1 61 64 A F E -CD 83 292C 1 22,-2.7 22,-1.9 -2,-0.4 2,-0.4 -0.840 13.1-167.4 -96.5 138.0 81.8 18.8 18.8 62 65 A T E -CD 82 291C 10 229,-2.9 229,-1.8 -2,-0.4 2,-0.3 -0.986 16.7-137.1-131.7 121.4 84.6 19.6 21.2 63 66 A V E + D 0 290C 1 18,-2.0 17,-3.3 -2,-0.4 227,-0.3 -0.598 27.3 169.6 -74.3 134.2 84.6 18.9 25.0 64 67 A T + 0 0 52 225,-3.8 2,-0.3 -2,-0.3 226,-0.2 0.365 58.7 39.9-123.0 -2.3 86.0 21.8 26.8 65 68 A H S S- 0 0 89 224,-1.8 2,-0.9 11,-0.1 -1,-0.2 -0.993 83.3-108.7-146.4 152.9 85.2 21.0 30.5 66 69 A D + 0 0 103 -2,-0.3 3,-0.2 1,-0.2 11,-0.1 -0.713 41.2 158.6 -90.8 107.0 85.3 17.8 32.5 67 70 A I >> + 0 0 7 -2,-0.9 3,-2.7 9,-0.4 4,-1.0 0.245 34.7 123.6-104.9 16.8 81.9 16.5 33.4 68 71 A T T 34 + 0 0 63 1,-0.3 133,-0.4 8,-0.2 -1,-0.1 0.709 61.0 70.6 -44.6 -29.7 83.2 13.0 33.9 69 72 A K T 34 S+ 0 0 130 -3,-0.2 -1,-0.3 1,-0.2 3,-0.1 0.842 107.7 34.1 -57.9 -32.2 81.7 13.0 37.5 70 73 A Y T <4 S+ 0 0 34 -3,-2.7 2,-0.4 1,-0.2 136,-0.2 0.775 121.9 27.5 -97.8 -30.1 78.2 12.8 36.1 71 74 A T < - 0 0 3 -4,-1.0 129,-0.3 127,-0.2 -1,-0.2 -0.999 48.0-155.0-139.5 138.9 78.3 10.7 33.0 72 75 A R + 0 0 74 127,-2.8 246,-0.1 -2,-0.4 128,-0.1 0.423 49.1 139.5 -89.1 3.7 80.5 7.9 31.6 73 76 A A >> - 0 0 0 126,-0.3 3,-1.5 245,-0.2 4,-0.7 -0.233 52.9-138.0 -53.6 127.4 79.6 8.8 28.0 74 77 A K G >4 S+ 0 0 90 1,-0.3 3,-1.1 243,-0.2 4,-0.3 0.815 98.1 65.9 -58.7 -34.5 82.7 8.5 25.8 75 78 A I G 34 S+ 0 0 1 1,-0.3 -1,-0.3 2,-0.1 3,-0.3 0.814 112.8 34.5 -56.3 -30.5 82.0 11.6 23.8 76 79 A F G <4 S+ 0 0 2 -3,-1.5 -9,-0.4 1,-0.2 -1,-0.3 0.495 84.8 109.6-102.3 -7.9 82.5 13.6 27.0 77 80 A S S << S+ 0 0 35 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 0.640 82.6 24.1 -52.2 -21.4 85.3 11.5 28.5 78 81 A E S > S- 0 0 118 -4,-0.3 3,-3.1 -3,-0.3 -15,-0.3 -0.919 78.2-110.4-158.6 135.2 88.1 14.1 28.0 79 82 A V T 3 S+ 0 0 82 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.174 108.9 26.8 -50.4 134.0 88.6 17.7 27.6 80 83 A G T 3 S+ 0 0 48 -17,-3.3 -1,-0.3 1,-0.3 -16,-0.1 0.227 85.5 143.6 91.2 -15.8 89.7 18.4 24.0 81 84 A K < - 0 0 40 -3,-3.1 -18,-2.0 -5,-0.1 2,-0.5 -0.375 39.2-147.3 -66.4 135.8 88.0 15.2 22.6 82 85 A K E -C 62 0C 127 -20,-0.2 2,-0.4 -3,-0.1 -20,-0.2 -0.927 14.5-173.9-107.9 116.6 86.5 15.8 19.1 83 86 A T E -C 61 0C 5 -22,-1.9 -22,-2.7 -2,-0.5 2,-0.2 -0.948 22.2-127.6-113.4 134.5 83.3 13.9 18.0 84 87 A E E +CE 60 113C 112 29,-0.6 29,-3.2 -2,-0.4 2,-0.3 -0.565 36.2 171.7 -80.9 139.9 82.0 14.1 14.4 85 88 A M E -CE 59 112C 1 -26,-2.3 -26,-3.9 -2,-0.2 2,-0.3 -0.970 31.2-144.9-152.8 160.3 78.5 15.1 13.9 86 89 A F E -CE 58 111C 0 25,-1.9 25,-2.5 -2,-0.3 2,-0.4 -0.926 19.4-158.6-118.0 146.2 75.8 16.1 11.5 87 90 A A E -CE 57 110C 0 -30,-3.7 -30,-2.0 -2,-0.3 2,-0.5 -0.992 4.2-165.3-127.2 134.5 73.0 18.6 12.4 88 91 A R E -CE 56 109C 11 21,-2.9 21,-1.9 -2,-0.4 2,-0.4 -0.965 6.4-170.7-123.3 123.0 69.6 19.0 10.8 89 92 A F E +CE 55 108C 1 -34,-2.8 -34,-3.1 -2,-0.5 2,-0.2 -0.858 15.2 159.8-108.6 147.0 67.6 22.1 11.4 90 93 A S E -CE 54 107C 6 17,-0.7 17,-1.7 -2,-0.4 -36,-0.3 -0.798 37.6-119.0-146.2-179.9 63.9 22.5 10.3 91 94 A T - 0 0 0 -38,-2.2 16,-0.1 15,-0.2 15,-0.1 -0.211 31.5-134.2-107.0-149.9 60.7 24.3 10.8 92 95 A V S S+ 0 0 10 13,-0.2 -41,-2.6 -41,-0.2 -40,-0.6 0.710 80.2 35.1-133.2 -59.2 57.6 22.3 11.9 93 96 A A S S+ 0 0 5 -43,-0.2 11,-0.0 12,-0.1 2,-0.0 0.793 91.9 90.0 -75.1 -43.6 54.3 22.8 10.2 94 97 A G - 0 0 0 5,-0.2 -42,-0.7 1,-0.1 -41,-0.6 -0.290 69.8-126.9 -65.2 149.4 55.2 23.4 6.6 95 98 A E > - 0 0 38 -43,-0.2 3,-2.7 -44,-0.1 -1,-0.1 -0.311 48.6 -64.9 -86.2 180.0 55.5 20.7 4.1 96 99 A R T 3 S+ 0 0 137 1,-0.3 -42,-0.2 -48,-0.1 -2,-0.1 0.545 132.2 28.2 -43.1 -27.6 58.5 20.0 1.8 97 100 A G T 3 S+ 0 0 58 -44,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.181 92.3 123.9-125.3 17.9 58.3 23.2 -0.3 98 101 A A S < S- 0 0 20 -3,-2.7 4,-0.1 1,-0.2 2,-0.0 -0.164 71.0 -69.5 -72.0 173.0 56.7 25.6 2.2 99 102 A A - 0 0 11 1,-0.1 3,-0.3 2,-0.1 -1,-0.2 -0.301 29.3-151.1 -72.2 141.8 58.2 28.9 3.3 100 103 A D S S+ 0 0 0 134,-0.9 2,-1.5 133,-0.2 -1,-0.1 0.863 87.0 63.1 -73.3 -41.2 61.3 29.0 5.4 101 104 A A S S+ 0 0 7 132,-0.3 2,-0.3 125,-0.1 -1,-0.2 -0.482 74.4 132.5 -91.1 70.0 60.5 32.3 7.1 102 105 A E - 0 0 57 -2,-1.5 2,-0.8 -3,-0.3 -8,-0.0 -0.843 67.9-102.5-115.3 156.4 57.4 31.4 9.0 103 106 A R S S+ 0 0 56 -2,-0.3 2,-0.3 78,-0.1 78,-0.2 -0.678 78.3 112.0 -76.0 111.5 56.3 32.0 12.6 104 107 A D S S- 0 0 17 76,-1.5 -2,-0.0 -2,-0.8 0, 0.0 -0.959 74.0 -83.0-170.5 161.7 56.9 28.5 13.9 105 108 A I - 0 0 2 -2,-0.3 2,-0.4 76,-0.1 -13,-0.2 -0.276 46.4-132.8 -63.3 163.9 59.2 26.6 16.4 106 109 A R - 0 0 2 -15,-0.1 19,-2.3 -14,-0.1 -15,-0.2 -0.980 12.3-126.1-123.2 147.6 62.5 25.5 14.8 107 110 A G E -EF 90 124C 4 -17,-1.7 -17,-0.7 -2,-0.4 2,-0.4 -0.588 17.7-170.2 -91.4 149.6 64.0 22.0 15.1 108 111 A F E +EF 89 123C 1 15,-3.3 15,-2.6 -2,-0.2 2,-0.5 -0.831 16.0 172.2-141.1 85.9 67.5 21.4 16.4 109 112 A A E -EF 88 122C 11 -21,-1.9 -21,-2.9 -2,-0.4 2,-0.4 -0.945 8.2-172.0-110.6 130.3 68.4 17.8 15.8 110 113 A L E -EF 87 121C 0 11,-2.8 11,-3.5 -2,-0.5 2,-0.5 -0.963 10.5-165.7-120.6 137.6 71.9 16.7 16.4 111 114 A K E -EF 86 120C 3 -25,-2.5 -25,-1.9 -2,-0.4 2,-0.5 -0.985 8.7-161.5-125.7 115.4 73.5 13.3 15.6 112 115 A F E -EF 85 119C 0 7,-4.0 7,-2.1 -2,-0.5 2,-1.4 -0.871 11.6-146.4-104.9 122.9 76.9 12.6 17.3 113 116 A Y E +EF 84 118C 23 -29,-3.2 -29,-0.6 -2,-0.5 5,-0.2 -0.676 36.9 169.8 -89.0 86.5 79.0 9.8 15.7 114 117 A T E > - 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0 0 50 -2,-0.2 4,-2.0 1,-0.1 -1,-0.1 0.030 26.5-108.6 -61.0 168.0 59.0 44.9 26.9 428 431 A D H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.898 120.3 56.5 -67.8 -25.5 55.7 46.8 26.5 429 432 A D H > S+ 0 0 103 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.949 105.8 46.0 -71.9 -49.4 56.5 46.8 22.8 430 433 A E H > S+ 0 0 30 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.911 112.3 54.7 -63.8 -35.8 56.8 43.1 22.4 431 434 A H H X S+ 0 0 9 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.909 106.6 48.9 -62.0 -43.3 53.6 42.8 24.4 432 435 A Q H X S+ 0 0 114 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.860 112.4 50.4 -66.8 -32.3 51.8 45.1 22.1 433 436 A R H X S+ 0 0 79 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.975 108.0 51.7 -65.8 -53.1 53.1 43.0 19.3 434 437 A M H X S+ 0 0 0 -4,-3.0 4,-3.8 1,-0.2 5,-0.3 0.890 107.3 52.3 -46.1 -51.7 52.0 39.7 20.8 435 438 A F H X S+ 0 0 5 -4,-2.4 4,-3.4 1,-0.2 -1,-0.2 0.932 112.4 46.5 -57.3 -42.7 48.5 41.0 21.3 436 439 A A H X S+ 0 0 58 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.893 114.0 47.6 -63.7 -43.8 48.3 41.9 17.7 437 440 A R H X S+ 0 0 22 -4,-3.0 4,-0.8 2,-0.2 -2,-0.2 0.925 115.2 44.3 -66.9 -42.3 49.8 38.7 16.6 438 441 A I H >X S+ 0 0 0 -4,-3.8 4,-3.1 1,-0.2 3,-1.1 0.940 111.4 54.5 -67.2 -45.7 47.4 36.6 18.8 439 442 A A H 3X S+ 0 0 1 -4,-3.4 4,-3.3 -5,-0.3 5,-0.3 0.888 99.4 60.8 -56.5 -43.5 44.4 38.7 17.8 440 443 A G H 3< S+ 0 0 35 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.774 117.6 30.6 -55.2 -32.6 44.9 38.2 14.1 441 444 A E H X< S+ 0 0 42 -3,-1.1 3,-1.8 -4,-0.8 4,-0.3 0.896 121.8 47.3 -90.7 -52.3 44.5 34.4 14.6 442 445 A L H >< S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.3 -3,-0.2 0.793 97.9 69.6 -66.1 -26.7 42.1 34.3 17.5 443 446 A S T 3< S+ 0 0 39 -4,-3.3 -1,-0.3 1,-0.3 -3,-0.1 0.694 96.9 56.8 -56.7 -25.7 39.6 36.9 16.0 444 447 A Q T < S+ 0 0 122 -3,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.620 92.3 92.6 -78.9 -18.7 38.8 34.2 13.5 445 448 A A S < S- 0 0 9 -3,-2.2 -289,-0.1 -4,-0.3 -288,-0.1 -0.077 92.6 -74.1 -74.7 174.6 37.8 31.7 16.2 446 449 A S > - 0 0 62 -290,-0.4 4,-3.0 1,-0.1 5,-0.2 -0.335 43.8-117.3 -57.9 151.2 34.3 30.9 17.6 447 450 A K H > S+ 0 0 177 2,-0.2 4,-3.1 1,-0.2 -1,-0.1 0.942 119.5 52.9 -60.6 -36.0 33.2 33.7 20.0 448 451 A E H > S+ 0 0 129 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.942 109.7 47.4 -64.2 -44.2 33.2 30.9 22.7 449 452 A T H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.913 111.4 50.8 -63.1 -42.1 36.8 30.0 21.8 450 453 A Q H X S+ 0 0 30 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.949 113.8 45.8 -59.8 -43.7 37.8 33.6 21.9 451 454 A Q H X S+ 0 0 101 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.953 112.5 47.6 -65.0 -50.6 36.2 33.9 25.3 452 455 A R H X S+ 0 0 59 -4,-3.3 4,-2.3 1,-0.2 -1,-0.2 0.896 113.8 48.0 -58.4 -43.6 37.6 30.8 26.8 453 456 A Q H X S+ 0 0 0 -4,-2.5 4,-3.3 -5,-0.3 5,-0.2 0.943 107.4 54.8 -65.5 -45.5 41.1 31.6 25.6 454 457 A I H X S+ 0 0 10 -4,-2.3 4,-3.0 -5,-0.3 -2,-0.2 0.925 107.0 52.1 -58.1 -39.7 41.0 35.2 26.9 455 458 A D H X S+ 0 0 89 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.960 110.1 49.3 -60.1 -44.5 40.1 33.8 30.3 456 459 A L H X S+ 0 0 17 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.949 112.7 45.9 -58.5 -46.6 43.1 31.6 30.0 457 460 A F H >X S+ 0 0 1 -4,-3.3 4,-1.2 1,-0.2 3,-0.9 0.870 108.6 57.5 -64.1 -36.9 45.3 34.5 29.0 458 461 A T H >< S+ 0 0 50 -4,-3.0 3,-1.0 -5,-0.2 6,-0.2 0.942 100.5 56.3 -57.1 -48.5 43.9 36.6 31.8 459 462 A K H 3< S+ 0 0 116 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.612 100.4 58.9 -66.2 -15.8 44.9 34.1 34.5 460 463 A V H << S- 0 0 0 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.829 140.6 -33.5 -75.3 -37.8 48.5 34.4 33.3 461 464 A H XX - 0 0 43 -4,-1.2 3,-2.5 -3,-1.0 4,-1.2 -0.625 59.3-124.7 179.8 125.0 48.4 38.2 34.1 462 465 A P H 3> S+ 0 0 93 0, 0.0 4,-1.9 0, 0.0 -3,-0.1 0.798 112.0 58.9 -55.6 -31.4 45.2 40.3 33.6 463 466 A E H 3> S+ 0 0 89 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.851 100.5 57.5 -66.4 -26.3 47.1 42.7 31.4 464 467 A Y H <> S+ 0 0 0 -3,-2.5 4,-2.0 -7,-0.3 -6,-0.2 0.966 110.0 42.3 -69.7 -47.6 47.8 39.7 29.0 465 468 A G H X S+ 0 0 1 -4,-1.2 4,-2.5 -8,-0.5 -1,-0.2 0.859 114.8 54.6 -64.1 -31.0 44.1 39.0 28.6 466 469 A A H X S+ 0 0 49 -4,-1.9 4,-2.9 -5,-0.3 5,-0.3 0.994 105.7 49.1 -64.0 -59.8 43.5 42.7 28.3 467 470 A G H X S+ 0 0 8 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.859 114.5 45.5 -47.5 -47.7 46.0 43.3 25.5 468 471 A V H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.937 112.8 49.2 -66.8 -47.4 44.5 40.4 23.5 469 472 A E H X S+ 0 0 92 -4,-2.5 4,-2.2 2,-0.2 3,-0.4 0.961 114.5 45.6 -58.9 -48.0 40.8 41.4 24.1 470 473 A K H X S+ 0 0 156 -4,-2.9 4,-1.0 1,-0.2 -2,-0.2 0.949 110.9 54.0 -59.7 -49.7 41.5 45.0 23.1 471 474 A A H < S+ 0 0 20 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.792 108.4 48.5 -56.3 -35.1 43.5 43.9 20.0 472 475 A I H >< S+ 0 0 25 -4,-2.0 3,-3.5 -3,-0.4 -1,-0.2 0.970 107.7 55.3 -66.5 -51.0 40.7 41.8 18.7 473 476 A K H 3< S+ 0 0 171 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.645 96.0 65.1 -61.0 -17.1 38.2 44.6 19.1 474 477 A V T 3< 0 0 117 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.496 360.0 360.0 -78.4 -7.3 40.4 46.9 17.0 475 478 A L < 0 0 139 -3,-3.5 -3,-0.0 -4,-0.1 -35,-0.0 -0.724 360.0 360.0-101.4 360.0 39.6 44.5 14.1