==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUN-06 2IUF . COMPND 2 MOLECULE: CATALASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PENICILLIUM JANTHINELLUM; . AUTHOR G.MURSHUDOV,A.BOROVIK,A.GREBENKO,V.BARYNIN,A.VAGIN, . 1376 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 51634.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 846 61.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 3.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 151 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 86 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 190 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 288 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 4 0 2 0 8 2 2 4 2 2 4 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 6 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 PARALLEL BRIDGES PER LADDER . 8 3 1 0 0 4 4 4 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 2 0 0 2 0 0 0 2 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 2 A Q > 0 0 105 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -13.9 -4.9 70.3 26.2 2 3 A Q H > + 0 0 179 1,-0.2 4,-0.7 2,-0.2 0, 0.0 0.929 360.0 49.2 -42.3 -53.1 -4.8 69.9 30.0 3 4 A F H >4 S+ 0 0 47 1,-0.2 3,-1.2 2,-0.2 4,-0.2 0.966 115.4 38.4 -61.2 -57.3 -8.4 68.9 30.1 4 5 A L H >4 S+ 0 0 10 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.768 101.5 73.5 -71.2 -21.3 -8.5 66.2 27.3 5 6 A S H >< S+ 0 0 53 -4,-2.3 3,-1.4 1,-0.3 -1,-0.3 0.776 80.5 72.9 -67.6 -19.9 -5.1 64.8 28.2 6 7 A Q T << S+ 0 0 123 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.752 100.4 46.1 -61.5 -18.0 -6.6 63.2 31.3 7 8 A F T < S+ 0 0 68 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.387 86.1 121.4-106.3 -0.2 -8.3 60.7 29.0 8 9 A Y < - 0 0 79 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.0 -0.390 50.0-152.1 -66.8 138.6 -5.3 59.9 26.8 9 10 A L - 0 0 153 -2,-0.1 2,-0.6 2,-0.0 -2,-0.0 -0.950 8.3-158.4-113.2 113.5 -4.1 56.3 26.5 10 11 A N + 0 0 102 -2,-0.6 -2,-0.0 1,-0.1 0, 0.0 -0.824 14.1 177.3 -94.2 117.1 -0.3 56.2 25.8 11 12 A D + 0 0 127 -2,-0.6 2,-0.5 3,-0.0 3,-0.5 -0.067 31.9 130.3-114.8 34.9 0.6 52.8 24.3 12 13 A Q S S- 0 0 145 1,-0.2 -2,-0.1 0, 0.0 0, 0.0 -0.701 84.1 -11.5 -85.6 128.3 4.3 53.4 23.7 13 14 A D S S+ 0 0 172 -2,-0.5 2,-0.3 1,-0.2 -1,-0.2 0.901 101.8 127.2 49.8 59.1 6.4 50.6 25.1 14 15 A V - 0 0 89 -3,-0.5 2,-0.3 0, 0.0 -1,-0.2 -0.907 59.6-104.2-138.2 160.3 3.8 48.7 27.1 15 16 A Y - 0 0 208 -2,-0.3 2,-0.1 1,-0.1 10,-0.1 -0.673 42.8-103.7 -83.6 144.0 2.4 45.2 27.5 16 17 A L + 0 0 78 -2,-0.3 8,-2.2 8,-0.3 2,-0.3 -0.410 44.7 178.5 -63.9 136.2 -1.0 44.3 26.0 17 18 A T B -A 23 0A 69 6,-0.3 2,-0.0 -2,-0.1 -1,-0.0 -0.913 30.2-106.7-135.5 159.9 -3.9 44.0 28.5 18 19 A S > - 0 0 13 4,-2.7 3,-1.7 -2,-0.3 6,-0.0 -0.264 50.5 -93.1 -67.9 178.0 -7.6 43.3 28.5 19 20 A N T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.602 129.1 53.4 -73.9 -5.1 -10.0 46.2 29.1 20 21 A V T 3 S- 0 0 139 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.040 125.5 -98.5-118.1 24.0 -9.9 45.2 32.8 21 22 A G S < S+ 0 0 51 -3,-1.7 -2,-0.1 1,-0.2 -5,-0.0 0.595 73.6 142.1 78.2 17.3 -6.1 45.3 33.1 22 23 A G - 0 0 29 1,-0.0 -4,-2.7 0, 0.0 -1,-0.2 -0.789 55.2-119.5 -86.8 120.7 -5.2 41.6 32.7 23 24 A P B +A 17 0A 108 0, 0.0 -6,-0.3 0, 0.0 2,-0.3 -0.368 47.7 165.8 -63.0 139.2 -2.1 41.2 30.7 24 25 A I - 0 0 30 -8,-2.2 2,-0.3 -2,-0.1 -8,-0.3 -0.896 38.9-130.9-144.4 168.1 -2.7 39.1 27.6 25 26 A Q - 0 0 106 -2,-0.3 -10,-0.0 3,-0.1 19,-0.0 -0.866 18.2-172.6-114.9 156.4 -1.6 37.9 24.2 26 27 A D + 0 0 29 -2,-0.3 3,-0.1 3,-0.0 -1,-0.0 0.075 54.6 90.2-144.0 27.9 -4.0 38.2 21.3 27 28 A E S S+ 0 0 68 1,-0.2 2,-0.4 1092,-0.1 810,-0.2 0.642 83.3 42.0-106.6 -16.3 -2.6 36.4 18.2 28 29 A N S S- 0 0 34 808,-0.1 -1,-0.2 1091,-0.1 17,-0.1 -0.995 74.3-127.9-135.0 131.7 -3.9 32.8 18.4 29 30 A S - 0 0 4 -2,-0.4 1091,-0.5 1,-0.1 2,-0.5 -0.382 37.6-101.2 -66.0 150.1 -7.3 31.5 19.4 30 31 A L - 0 0 12 9,-0.2 9,-2.6 1089,-0.2 2,-0.3 -0.636 51.8-176.8 -76.3 123.6 -7.4 28.8 22.1 31 32 A S E -BC 381118B 10 1087,-2.7 1087,-1.9 -2,-0.5 2,-1.3 -0.881 38.9-111.8-128.6 159.3 -7.8 25.4 20.4 32 33 A A E S- C 01117B 16 5,-1.6 1082,-0.6 -2,-0.3 5,-0.2 -0.723 94.2 -26.9 -88.4 90.5 -8.2 21.8 21.3 33 34 A G S > S- 0 0 0 1083,-1.4 3,-1.3 -2,-1.3 1085,-0.2 -0.095 99.7 -57.4 81.9 175.5 -4.9 20.6 20.0 34 35 A Q T 3 S+ 0 0 82 1,-0.3 -1,-0.2 1080,-0.2 1088,-0.2 0.824 138.2 23.6 -60.9 -40.1 -2.8 22.1 17.3 35 36 A R T 3 S+ 0 0 69 1079,-0.3 -1,-0.3 -3,-0.2 993,-0.2 -0.068 102.3 125.8-116.3 32.6 -5.4 21.9 14.5 36 37 A G < - 0 0 12 -3,-1.3 -3,-0.1 1,-0.2 1077,-0.1 -0.245 64.3 -81.3 -92.5 171.8 -8.5 21.9 16.7 37 38 A A - 0 0 30 -5,-0.2 -5,-1.6 1,-0.1 2,-0.2 -0.326 52.4 -97.9 -65.3 151.1 -11.7 23.8 17.1 38 39 A T B -B 31 0B 29 -7,-0.2 2,-0.4 1,-0.1 -7,-0.2 -0.536 38.2-124.3 -75.5 136.7 -11.8 27.1 19.0 39 40 A L > - 0 0 43 -9,-2.6 3,-1.8 -2,-0.2 -9,-0.2 -0.657 2.0-139.4 -86.1 139.5 -12.9 26.9 22.6 40 41 A L T 3 S+ 0 0 146 -2,-0.4 -1,-0.1 1,-0.3 6,-0.1 0.798 100.7 69.3 -61.5 -29.6 -15.8 29.0 24.0 41 42 A Q T 3 + 0 0 131 1,-0.1 2,-1.8 2,-0.1 -1,-0.3 0.495 67.2 109.4 -72.4 -1.1 -13.7 29.6 27.2 42 43 A D <> + 0 0 2 -3,-1.8 4,-2.0 1,-0.2 -1,-0.1 -0.579 38.7 168.2 -73.7 83.5 -11.3 31.8 25.2 43 44 A F H > S+ 0 0 115 -2,-1.8 4,-2.7 2,-0.2 5,-0.2 0.713 72.0 62.7 -70.3 -23.9 -12.4 35.1 26.8 44 45 A I H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.957 106.4 44.0 -67.7 -48.7 -9.4 36.8 25.2 45 46 A F H > S+ 0 0 7 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.960 116.1 47.2 -51.9 -56.4 -10.8 36.0 21.7 46 47 A R H X S+ 0 0 76 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.896 111.1 48.9 -66.1 -40.3 -14.3 37.0 22.6 47 48 A E H X S+ 0 0 48 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.925 114.8 46.8 -63.5 -37.9 -13.5 40.3 24.3 48 49 A K H X S+ 0 0 20 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.911 117.1 41.4 -65.6 -48.7 -11.3 41.4 21.4 49 50 A I H X S+ 0 0 5 -4,-2.7 4,-3.3 -5,-0.2 -2,-0.2 0.842 111.3 56.5 -76.5 -31.5 -13.8 40.4 18.7 50 51 A Q H X S+ 0 0 105 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.942 108.0 48.1 -62.4 -47.1 -16.8 41.9 20.7 51 52 A R H >< S+ 0 0 153 -4,-2.0 3,-0.7 -5,-0.2 -2,-0.2 0.962 115.3 46.5 -55.1 -46.8 -15.1 45.3 20.9 52 53 A F H >< S+ 0 0 4 -4,-2.0 3,-1.8 1,-0.2 4,-0.3 0.948 108.5 53.7 -60.3 -48.0 -14.4 45.0 17.1 53 54 A D H 3< S+ 0 0 2 -4,-3.3 -1,-0.2 1,-0.3 697,-0.2 0.695 115.4 41.9 -60.9 -23.9 -18.0 43.8 16.3 54 55 A H T << S+ 0 0 66 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.135 79.0 109.2-111.7 17.9 -19.3 46.9 18.1 55 56 A E < + 0 0 52 -3,-1.8 2,-0.2 -4,-0.1 -1,-0.1 0.822 61.0 84.0 -62.0 -35.0 -16.9 49.6 16.9 56 57 A R - 0 0 25 -4,-0.3 694,-0.1 -3,-0.2 3,-0.0 -0.440 52.6-173.1 -82.9 148.1 -19.4 51.4 14.7 57 58 A V - 0 0 39 -2,-0.2 691,-0.5 689,-0.1 300,-0.1 -0.888 44.1 -78.7-124.9 160.5 -22.0 54.0 15.6 58 59 A P - 0 0 11 0, 0.0 3,-0.1 0, 0.0 687,-0.1 -0.357 49.3-119.6 -58.9 136.3 -24.6 55.5 13.4 59 60 A E - 0 0 6 687,-0.5 686,-0.2 1,-0.1 5,-0.1 -0.337 45.1 -80.2 -66.0 158.2 -23.3 58.2 11.1 60 61 A R - 0 0 16 4,-0.2 4,-0.3 3,-0.1 -1,-0.1 -0.364 38.2-123.3 -59.5 143.0 -24.8 61.7 11.5 61 62 A A S S+ 0 0 9 681,-0.2 2,-0.3 2,-0.1 -1,-0.1 0.805 98.0 9.8 -61.3 -31.4 -28.2 61.9 9.7 62 63 A V S S+ 0 0 22 1,-0.1 43,-0.2 41,-0.0 42,-0.1 -0.937 128.2 32.8-138.6 160.0 -26.8 64.8 7.8 63 64 A H + 0 0 32 41,-2.2 -3,-0.1 -2,-0.3 41,-0.1 0.797 68.8 152.3 62.5 32.0 -23.2 66.1 7.6 64 65 A A + 0 0 1 40,-0.6 2,-0.7 42,-0.5 -4,-0.2 0.805 55.7 65.6 -59.5 -34.5 -21.9 62.6 8.0 65 66 A R S S+ 0 0 4 41,-0.5 38,-2.1 43,-0.1 2,-0.3 -0.847 77.0 119.7 -95.9 109.5 -18.7 63.4 6.1 66 67 A G E -D 102 0C 1 -2,-0.7 2,-0.3 36,-0.2 36,-0.3 -0.960 45.6-135.1-162.2 178.4 -16.6 65.8 8.0 67 68 A T E -D 101 0C 7 34,-2.7 34,-2.6 -2,-0.3 2,-0.3 -0.998 16.6-152.2-154.6 139.4 -13.4 66.7 9.8 68 69 A G E -D 100 0C 8 -2,-0.3 2,-0.3 32,-0.2 32,-0.2 -0.776 10.4-179.6-118.3 158.9 -12.4 68.4 13.0 69 70 A A E -D 99 0C 0 30,-2.1 30,-2.6 -2,-0.3 244,-0.2 -0.987 24.7-123.1-153.0 148.2 -9.7 70.5 14.7 70 71 A H E +DE 98 312C 6 242,-3.0 241,-2.0 -2,-0.3 242,-1.5 -0.529 42.5 143.6 -81.6 153.9 -9.0 72.1 18.1 71 72 A G E -DE 97 310C 9 26,-2.2 26,-2.6 239,-0.3 2,-0.3 -0.890 37.1-103.1-167.5-165.2 -8.4 75.8 18.4 72 73 A T E -DE 96 309C 35 237,-2.4 237,-2.6 24,-0.3 2,-0.4 -0.997 14.4-143.0-144.0 148.2 -8.8 78.9 20.4 73 74 A F E -DE 95 308C 0 22,-2.8 22,-2.1 -2,-0.3 2,-0.4 -0.914 10.5-163.1-108.8 141.8 -10.9 82.1 20.4 74 75 A T E -DE 94 307C 36 233,-2.4 233,-2.1 -2,-0.4 2,-0.2 -0.986 15.7-136.8-125.6 119.6 -9.6 85.6 21.4 75 76 A S E - E 0 306C 2 18,-2.8 17,-3.1 -2,-0.4 231,-0.3 -0.586 3.8-155.4 -71.8 138.9 -12.1 88.4 22.1 76 77 A Y S S+ 0 0 84 229,-2.9 2,-0.3 -2,-0.2 15,-0.2 0.534 70.4 1.7 -88.7 -6.8 -11.1 91.8 20.6 77 78 A G S S- 0 0 11 228,-0.5 2,-0.9 13,-0.4 13,-0.4 -0.945 78.3 -85.9-163.6 172.7 -13.1 93.7 23.2 78 79 A D + 0 0 98 -2,-0.3 3,-0.4 12,-0.2 11,-0.2 -0.910 43.5 179.9 -91.5 103.2 -15.3 94.0 26.3 79 80 A W >> + 0 0 54 9,-2.8 3,-2.7 -2,-0.9 4,-2.5 0.136 37.6 124.1 -94.4 21.0 -18.6 93.5 24.5 80 81 A S T 34 + 0 0 52 1,-0.3 137,-0.4 2,-0.2 -1,-0.2 0.704 68.0 60.1 -60.8 -19.0 -20.7 93.9 27.7 81 82 A N T 34 S+ 0 0 162 -3,-0.4 -1,-0.3 1,-0.1 135,-0.1 0.553 117.5 32.9 -83.2 -2.9 -22.8 96.7 26.2 82 83 A L T <4 S+ 0 0 18 -3,-2.7 2,-0.3 1,-0.4 -2,-0.2 0.673 131.5 5.1-112.0 -40.9 -23.8 94.3 23.5 83 84 A T < - 0 0 2 -4,-2.5 -1,-0.4 5,-0.1 133,-0.3 -0.990 48.0-140.7-152.4 146.6 -24.0 91.0 25.2 84 85 A A + 0 0 20 131,-2.1 250,-0.2 -2,-0.3 132,-0.1 0.422 58.3 137.4 -82.2 1.1 -23.6 89.4 28.6 85 86 A A > - 0 0 1 249,-0.3 3,-1.7 -6,-0.2 -6,-0.2 -0.258 51.3-145.2 -58.8 125.2 -21.7 86.5 27.1 86 87 A S G > S+ 0 0 26 247,-0.4 3,-2.1 1,-0.3 4,-0.2 0.872 95.7 59.8 -60.3 -38.2 -18.7 85.6 29.3 87 88 A F G 3 S+ 0 0 2 1,-0.3 -1,-0.3 2,-0.1 -12,-0.2 0.628 110.1 44.6 -68.7 -10.9 -16.4 84.6 26.4 88 89 A L G < S+ 0 0 5 -3,-1.7 -9,-2.8 1,-0.1 -1,-0.3 0.101 83.3 104.7-112.3 20.1 -16.9 88.2 25.1 89 90 A S S < S+ 0 0 48 -3,-2.1 2,-0.3 -11,-0.2 -9,-0.2 0.565 80.8 24.4 -88.6 -9.3 -16.4 90.0 28.4 90 91 A A S > S- 0 0 41 -13,-0.4 3,-1.7 -4,-0.2 -13,-0.4 -0.999 81.2 -99.4-158.0 147.6 -12.9 91.4 27.9 91 92 A E T 3 S+ 0 0 163 -2,-0.3 -15,-0.2 1,-0.3 3,-0.1 -0.566 112.5 14.8 -65.7 125.9 -10.3 92.3 25.4 92 93 A G T 3 S+ 0 0 43 -17,-3.1 -1,-0.3 -2,-0.3 2,-0.2 0.317 85.1 149.3 89.8 -3.6 -7.9 89.4 25.1 93 94 A K < - 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0 0 2 -38,-2.1 16,-0.3 -2,-0.3 15,-0.1 -0.299 31.5-138.7 -87.6-166.8 -20.6 68.2 3.5 104 105 A V S S+ 0 0 9 13,-0.3 -41,-2.2 -2,-0.1 -40,-0.6 0.719 81.0 35.4-118.5 -53.4 -24.3 67.6 4.0 105 106 A A S S+ 0 0 6 12,-0.2 62,-0.3 -43,-0.2 63,-0.1 0.814 92.0 87.6 -83.3 -40.1 -25.8 64.8 1.9 106 107 A G - 0 0 0 61,-0.1 -41,-0.5 60,-0.1 -42,-0.5 -0.304 69.7-123.9 -70.2 152.6 -23.1 62.1 1.5 107 108 A S > - 0 0 6 1,-0.2 3,-2.1 -43,-0.1 -1,-0.1 -0.198 49.6 -61.4 -76.5 175.4 -22.5 59.3 3.9 108 109 A R T 3 S+ 0 0 19 1,-0.3 690,-1.7 -48,-0.1 691,-0.4 -0.339 127.7 27.0 -54.1 121.0 -19.3 58.4 5.7 109 110 A G T 3 S+ 0 0 3 1,-0.3 691,-0.3 689,-0.2 -1,-0.3 0.277 88.5 132.5 112.6 -3.1 -16.7 57.7 3.3 110 111 A S < - 0 0 0 -3,-2.1 -1,-0.3 689,-0.2 689,-0.2 -0.305 69.4 -77.3 -67.9 158.9 -18.2 59.9 0.5 111 112 A A > - 0 0 21 687,-0.3 3,-1.5 1,-0.1 140,-0.1 -0.290 27.4-138.9 -64.5 137.6 -15.8 62.3 -1.4 112 113 A D T 3 S+ 0 0 3 138,-2.6 -1,-0.1 1,-0.3 139,-0.1 0.889 101.9 56.7 -54.5 -43.0 -14.8 65.5 0.3 113 114 A T T 3 S+ 0 0 4 136,-0.2 -1,-0.3 129,-0.2 133,-0.2 0.063 72.0 129.9 -93.2 27.0 -15.1 67.3 -3.0 114 115 A A S < S- 0 0 12 -3,-1.5 2,-0.5 1,-0.1 54,-0.1 -0.437 72.7-101.5 -56.6 149.4 -18.8 66.4 -3.7 115 116 A R S S+ 0 0 16 52,-0.3 2,-0.3 82,-0.1 82,-0.2 -0.676 72.6 119.2 -74.4 127.8 -20.7 69.6 -4.6 116 117 A D - 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0 0 61 69,-0.4 4,-2.0 -2,-0.3 3,-0.7 -0.322 43.2-101.7 -64.3 156.7 -18.3 87.9 -12.2 452 453 A N H 3> S+ 0 0 110 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.868 120.5 54.5 -51.2 -40.7 -19.2 86.6 -15.7 453 454 A A H 3> S+ 0 0 8 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.881 107.5 49.4 -64.5 -38.3 -17.3 83.3 -15.2 454 455 A Q H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.863 107.5 53.6 -75.8 -32.5 -19.1 82.5 -12.0 455 456 A K H X S+ 0 0 41 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.936 111.2 48.9 -54.2 -48.1 -22.5 83.1 -13.6 456 457 A E H X S+ 0 0 1 -4,-2.3 4,-3.0 -5,-0.2 -2,-0.2 0.884 106.3 55.5 -60.0 -40.5 -21.3 80.7 -16.3 457 458 A F H X S+ 0 0 21 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.912 108.4 48.1 -62.8 -39.2 -20.3 78.2 -13.6 458 459 A I H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.939 113.4 47.8 -61.2 -51.0 -23.8 78.3 -12.2 459 460 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.951 113.8 46.9 -55.9 -45.5 -25.3 77.8 -15.7 460 461 A D H X S+ 0 0 47 -4,-3.0 4,-2.0 2,-0.2 -1,-0.2 0.825 111.4 50.9 -72.0 -30.6 -23.0 74.9 -16.4 461 462 A A H X S+ 0 0 3 -4,-2.1 4,-2.9 -269,-0.2 5,-0.2 0.947 113.2 45.7 -65.2 -50.6 -23.6 73.3 -13.0 462 463 A X H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.895 112.4 51.4 -63.0 -37.7 -27.4 73.5 -13.6 463 464 A R H X S+ 0 0 9 -4,-2.8 4,-1.4 -5,-0.3 -1,-0.2 0.926 112.1 45.9 -63.9 -44.2 -27.0 72.2 -17.2 464 465 A F H X S+ 0 0 20 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.955 118.3 43.4 -58.4 -51.4 -24.9 69.2 -16.0 465 466 A E H >< S+ 0 0 5 -4,-2.9 3,-1.4 1,-0.2 -2,-0.2 0.943 114.7 45.0 -66.0 -51.3 -27.4 68.5 -13.2 466 467 A T H >< S+ 0 0 0 -4,-2.8 3,-1.8 1,-0.3 -1,-0.2 0.759 100.7 68.2 -71.8 -21.5 -30.7 68.9 -15.0 467 468 A S H 3< S+ 0 0 10 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.2 0.761 99.7 53.9 -66.9 -20.2 -29.4 66.9 -18.0 468 469 A N T << S+ 0 0 67 -3,-1.4 2,-0.7 -4,-0.5 -296,-0.4 0.259 84.3 100.7 -91.3 4.6 -29.6 64.0 -15.5 469 470 A V < - 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