==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-DEC-00 1HFU . COMPND 2 MOLECULE: LACCASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: COPRINUS CINEREUS; . AUTHOR V.DUCROS,A.M.BRZOZOWSKI,G.J.DAVIES . 500 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18146.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 328 65.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 23.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.2 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 . 60 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 1 1 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 0 5 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 PARALLEL BRIDGES PER LADDER . 7 1 4 4 3 4 2 0 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 . 0 1 0 5 0 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 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 A 0 0 96 0, 0.0 34,-1.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 -16.0 5.2 34.6 64.8 2 2 A I E -a 35 0A 50 32,-0.2 2,-0.5 34,-0.0 34,-0.2 -0.980 360.0-156.6-120.7 130.1 2.7 36.2 62.3 3 3 A V E -a 36 0A 1 32,-3.4 34,-2.2 -2,-0.5 4,-0.1 -0.880 19.6-142.9 -99.3 128.5 3.1 39.7 60.7 4 4 A N - 0 0 82 -2,-0.5 34,-0.1 32,-0.2 3,-0.0 -0.381 26.5-102.6 -87.1 169.7 -0.2 41.2 59.6 5 5 A S S S+ 0 0 22 32,-0.4 40,-2.4 1,-0.2 2,-0.6 0.797 120.2 41.1 -63.4 -31.3 -0.7 43.3 56.4 6 6 A V E S+e 45 0B 87 38,-0.2 2,-0.3 40,-0.1 40,-0.2 -0.978 98.1 106.9-110.6 110.9 -0.8 46.5 58.6 7 7 A D E -e 46 0B 50 38,-2.3 40,-2.4 -2,-0.6 2,-0.4 -0.980 65.7 -96.4-166.7-179.1 2.0 46.0 61.1 8 8 A T E -e 47 0B 58 -2,-0.3 2,-0.6 38,-0.2 40,-0.2 -0.906 22.1-159.2-114.2 136.6 5.5 46.9 62.4 9 9 A M E -e 48 0B 0 38,-3.3 40,-2.5 -2,-0.4 2,-0.6 -0.902 11.4-166.0-117.6 101.6 8.6 44.8 61.5 10 10 A T E -e 49 0B 39 -2,-0.6 19,-2.4 38,-0.2 2,-0.6 -0.761 7.1-151.9 -93.5 119.6 11.3 45.5 64.1 11 11 A L E +eF 50 28B 0 38,-2.9 40,-1.9 -2,-0.6 2,-0.3 -0.844 25.2 159.4 -95.1 122.4 14.7 44.2 63.0 12 12 A T E - F 0 27B 46 15,-1.8 15,-3.0 -2,-0.6 2,-0.3 -0.895 37.1-116.1-132.8 166.5 17.2 43.2 65.7 13 13 A N E + F 0 26B 26 38,-0.4 2,-0.3 -2,-0.3 13,-0.2 -0.783 40.3 158.9 -97.8 146.8 20.3 41.0 66.1 14 14 A A E - F 0 25B 31 11,-1.3 11,-3.4 -2,-0.3 2,-0.4 -0.968 45.5 -94.4-156.7 165.3 20.2 38.0 68.4 15 15 A N E - F 0 24B 127 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.752 47.8-177.7 -91.5 133.0 22.1 34.7 68.9 16 16 A V E - F 0 23B 16 7,-3.6 7,-2.5 -2,-0.4 3,-0.1 -0.927 25.3-173.3-132.7 155.1 20.4 31.8 67.0 17 17 A S > + 0 0 63 -2,-0.3 3,-2.0 5,-0.2 5,-0.2 -0.331 18.9 158.3-148.4 59.4 21.0 28.1 66.7 18 18 A P T 3 S+ 0 0 17 0, 0.0 154,-1.5 0, 0.0 4,-0.1 0.662 87.2 31.8 -62.6 -22.9 18.6 26.7 64.1 19 19 A D T 3 S- 0 0 0 2,-0.4 155,-0.5 152,-0.2 161,-0.3 0.022 127.3 -91.2-119.5 13.7 20.8 23.7 63.5 20 20 A G S < S+ 0 0 36 -3,-2.0 2,-0.5 1,-0.3 -3,-0.1 0.399 99.6 107.5 89.1 -1.0 22.2 23.4 67.0 21 21 A F - 0 0 79 157,-0.1 -2,-0.4 156,-0.0 2,-0.4 -0.929 67.4-133.0-107.5 131.8 25.2 25.6 66.2 22 22 A T + 0 0 91 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.668 39.0 146.2 -92.5 135.0 25.0 29.1 67.8 23 23 A R E -F 16 0B 14 -7,-2.5 -7,-3.6 -2,-0.4 2,-0.3 -0.943 51.5 -90.8-150.4 166.3 25.8 32.2 65.8 24 24 A A E +F 15 0B 16 -2,-0.3 -9,-0.2 -9,-0.2 2,-0.2 -0.643 55.9 155.2 -84.5 139.3 24.6 35.8 65.6 25 25 A G E -F 14 0B 0 -11,-3.4 -11,-1.3 -2,-0.3 2,-0.4 -0.638 39.6 -85.2-142.3-157.7 21.7 36.4 63.3 26 26 A I E -F 13 0B 2 92,-0.9 2,-0.3 -13,-0.2 -13,-0.2 -0.980 31.1-166.2-129.4 136.0 18.7 38.7 62.5 27 27 A L E -F 12 0B 24 -15,-3.0 -15,-1.8 -2,-0.4 2,-0.5 -0.846 13.0-147.1-119.6 156.4 15.2 38.5 64.0 28 28 A V E > S-FG 11 31B 1 3,-2.9 3,-1.6 -2,-0.3 -17,-0.2 -1.000 89.3 -14.4-123.3 113.3 11.9 40.2 62.9 29 29 A N T 3 S- 0 0 65 -19,-2.4 -1,-0.1 -2,-0.5 -18,-0.1 0.853 129.6 -56.8 56.5 39.3 9.7 41.0 65.9 30 30 A G T 3 S+ 0 0 54 -20,-0.4 2,-0.3 1,-0.2 -1,-0.3 0.534 120.3 102.2 73.6 11.8 11.8 38.7 68.0 31 31 A V B < S-G 28 0B 45 -3,-1.6 -3,-2.9 3,-0.0 2,-0.9 -0.878 78.3-110.6-127.3 149.9 11.2 35.7 65.7 32 32 A H S S- 0 0 66 -2,-0.3 -5,-0.1 1,-0.2 88,-0.1 -0.758 91.8 -29.1 -86.0 104.9 13.3 34.0 63.0 33 33 A G S S- 0 0 16 -2,-0.9 -1,-0.2 86,-0.3 87,-0.1 0.939 80.5-159.1 54.2 56.2 11.6 34.8 59.6 34 34 A P - 0 0 6 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 -0.303 22.4-100.7 -57.9 153.0 8.0 35.2 60.6 35 35 A L E -a 2 0A 14 -34,-1.3 -32,-3.4 87,-0.1 2,-0.5 -0.594 26.6-152.5 -75.4 137.1 5.2 34.8 58.1 36 36 A I E +ab 3 124A 0 87,-2.4 89,-2.2 -2,-0.3 2,-0.4 -0.920 23.9 178.6-103.7 133.3 3.6 37.9 56.6 37 37 A R E + b 0 125A 78 -34,-2.2 -32,-0.4 -2,-0.5 2,-0.3 -0.990 12.4 135.3-138.4 152.8 0.1 37.2 55.5 38 38 A G E - b 0 126A 12 87,-1.7 89,-2.3 -2,-0.4 2,-0.2 -0.937 46.5 -83.2-168.0-174.5 -2.8 39.2 54.0 39 39 A G E > - b 0 127A 22 -2,-0.3 3,-1.6 87,-0.2 89,-0.2 -0.689 42.8-105.3-105.4 162.5 -5.6 39.1 51.3 40 40 A K T 3 S+ 0 0 37 87,-1.7 61,-2.7 1,-0.3 62,-0.5 0.674 118.4 42.4 -63.4 -22.4 -5.2 40.1 47.7 41 41 A N T 3 S+ 0 0 97 59,-0.2 -1,-0.3 60,-0.2 87,-0.0 0.283 87.3 130.8-104.0 6.7 -6.9 43.5 47.9 42 42 A D < - 0 0 54 -3,-1.6 2,-0.9 1,-0.1 58,-0.4 -0.265 57.8-134.7 -64.6 146.7 -5.2 44.5 51.2 43 43 A N - 0 0 116 55,-0.1 55,-0.2 56,-0.1 2,-0.2 -0.865 29.9-150.3 -97.3 96.3 -3.6 47.8 51.6 44 44 A F E + H 0 97B 2 53,-2.6 53,-1.4 -2,-0.9 2,-0.3 -0.484 20.9 179.6 -73.2 140.2 -0.3 46.8 53.2 45 45 A E E +eH 6 96B 76 -40,-2.4 -38,-2.3 51,-0.2 2,-0.6 -0.831 8.6 175.0-139.9 97.9 1.4 49.3 55.6 46 46 A L E -eH 7 95B 0 49,-2.6 49,-2.6 -2,-0.3 2,-0.9 -0.945 18.5-156.4-114.3 107.6 4.6 47.8 57.0 47 47 A N E -eH 8 94B 51 -40,-2.4 -38,-3.3 -2,-0.6 2,-0.8 -0.771 11.0-157.0 -85.0 111.3 6.8 49.9 59.2 48 48 A V E -eH 9 93B 0 45,-3.0 45,-2.1 -2,-0.9 2,-0.6 -0.786 7.1-164.3 -91.5 111.7 10.2 48.4 58.9 49 49 A V E -eH 10 92B 30 -40,-2.5 -38,-2.9 -2,-0.8 2,-1.0 -0.896 8.6-148.7-101.8 114.1 12.1 49.6 62.0 50 50 A N E +e 11 0B 0 41,-2.6 40,-3.0 -2,-0.6 41,-0.5 -0.752 34.8 153.2 -89.4 102.9 15.9 49.1 61.7 51 51 A D + 0 0 76 -40,-1.9 -38,-0.4 -2,-1.0 -1,-0.1 0.037 24.6 141.7-110.8 24.6 17.3 48.3 65.1 52 52 A L + 0 0 4 7,-0.3 -40,-0.1 -40,-0.2 7,-0.1 -0.431 10.9 155.6 -67.2 133.5 20.3 46.3 63.8 53 53 A D + 0 0 115 -2,-0.1 -1,-0.1 5,-0.1 6,-0.1 0.371 32.6 109.0-140.3 1.0 23.5 46.9 65.7 54 54 A N > - 0 0 37 4,-0.1 3,-1.5 1,-0.1 -40,-0.0 -0.754 51.2-159.0 -88.3 113.3 25.8 43.9 65.2 55 55 A P T 3 S+ 0 0 30 0, 0.0 444,-2.8 0, 0.0 -1,-0.1 0.515 81.7 75.5 -70.2 -6.3 28.7 45.0 63.0 56 56 A T T 3 S+ 0 0 14 442,-0.2 2,-0.3 2,-0.1 102,-0.3 0.522 102.7 44.3 -83.3 -4.9 29.6 41.4 61.9 57 57 A M S < S- 0 0 1 -3,-1.5 442,-0.2 99,-0.1 2,-0.1 -0.875 109.7 -81.7-125.5 163.8 26.5 41.6 59.6 58 58 A L - 0 0 27 -2,-0.3 -4,-0.1 1,-0.1 -2,-0.1 -0.419 39.4-164.3 -62.2 144.1 25.3 44.4 57.4 59 59 A R + 0 0 30 437,-0.1 -7,-0.3 -4,-0.1 -1,-0.1 0.864 64.2 68.3-102.2 -48.5 23.4 47.1 59.4 60 60 A P S S- 0 0 4 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.258 72.2-170.2 -61.0 161.4 21.5 49.3 57.0 61 61 A T B -I 87 0C 0 26,-2.1 26,-3.4 50,-0.1 2,-0.3 -0.977 27.3-169.2-150.6 172.1 18.6 47.4 55.2 62 62 A S - 0 0 0 -2,-0.3 49,-2.8 24,-0.2 2,-0.5 -0.932 21.2-139.1-160.4 133.8 16.0 47.4 52.5 63 63 A I E -C 110 0A 0 -2,-0.3 2,-0.4 47,-0.3 47,-0.2 -0.936 7.6-160.8-109.3 128.0 13.2 44.9 52.0 64 64 A H E -C 109 0A 1 45,-2.9 45,-1.7 -2,-0.5 2,-1.1 -0.833 12.0-148.3 -97.5 137.2 12.0 43.4 48.8 65 65 A W E > -C 108 0A 0 12,-0.5 3,-1.8 -2,-0.4 2,-0.3 -0.823 31.7-138.9-104.8 84.0 8.5 41.8 48.7 66 66 A H E 3 S+C 107 0A 0 41,-1.8 41,-0.9 -2,-1.1 3,-0.1 -0.381 75.5 14.7 -62.2 118.5 9.3 39.2 46.1 67 67 A G T 3 S+ 0 0 6 1,-0.4 2,-0.4 -2,-0.3 -1,-0.2 0.165 89.6 118.8 110.8 -16.9 6.7 38.6 43.4 68 68 A L < - 0 0 4 -3,-1.8 332,-0.6 1,-0.1 -1,-0.4 -0.702 58.3-145.4 -82.5 134.5 4.6 41.7 44.0 69 69 A F - 0 0 32 -2,-0.4 3,-0.1 30,-0.2 -1,-0.1 0.728 16.0-150.8 -75.4 -23.1 4.5 43.8 40.8 70 70 A Q > - 0 0 4 28,-0.3 3,-2.4 1,-0.2 2,-0.2 0.835 17.5-168.8 58.2 38.8 4.4 47.1 42.8 71 71 A R T 3 S+ 0 0 132 1,-0.3 -1,-0.2 27,-0.2 27,-0.2 -0.412 75.9 1.9 -62.4 122.9 2.5 48.9 40.1 72 72 A G T 3 S+ 0 0 25 371,-0.3 404,-0.8 -2,-0.2 -1,-0.3 0.521 124.2 76.8 78.3 1.5 2.5 52.6 41.0 73 73 A T X + 0 0 27 -3,-2.4 3,-2.5 402,-0.2 4,-0.3 -0.242 45.0 142.2-137.3 43.9 4.6 51.9 44.1 74 74 A N G > + 0 0 0 1,-0.3 3,-1.8 369,-0.2 4,-0.3 0.878 68.8 66.1 -57.4 -33.4 8.0 51.4 42.6 75 75 A W G 3 S+ 0 0 15 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.588 99.1 52.1 -64.0 -12.5 9.5 53.2 45.6 76 76 A A G < S+ 0 0 0 -3,-2.5 -1,-0.3 -6,-0.2 -11,-0.2 0.380 80.0 96.2-100.1 -0.9 8.4 50.3 47.8 77 77 A D S < S- 0 0 0 -3,-1.8 -12,-0.5 -4,-0.3 -2,-0.1 0.819 79.9-140.8 -68.5 -24.3 10.0 47.5 45.7 78 78 A G + 0 0 0 -4,-0.3 2,-0.9 1,-0.2 33,-0.3 0.397 49.6 138.9 92.0 -7.9 13.1 47.4 47.9 79 79 A A >>> - 0 0 0 -16,-0.1 4,-2.7 31,-0.1 3,-2.0 -0.698 53.2-130.4 -79.3 114.9 16.2 46.9 45.7 80 80 A D B 345S+j 84 0D 32 31,-1.7 5,-0.2 -2,-0.9 33,-0.1 -0.374 93.2 23.2 -55.8 137.2 18.8 49.2 47.2 81 81 A G T 345S+ 0 0 3 3,-1.9 271,-1.8 1,-0.1 -1,-0.2 0.222 128.2 49.0 88.7 -15.5 20.3 51.3 44.4 82 82 A V T <45S+ 0 0 0 -3,-2.0 271,-2.9 2,-0.4 272,-0.2 0.687 126.3 10.8-119.1 -57.2 17.3 50.9 42.2 83 83 A N T <5S- 0 0 0 -4,-2.7 2,-0.3 1,-0.2 -3,-0.2 0.648 127.5 -8.8-101.8 -22.5 14.1 51.7 44.2 84 84 A Q B < -j 80 0D 0 -5,-1.1 -3,-1.9 -8,-0.1 -2,-0.4 -0.977 63.6-105.4-158.8 169.6 15.4 53.2 47.4 85 85 A a - 0 0 6 396,-0.4 400,-0.1 -2,-0.3 399,-0.1 -0.728 61.7 -82.9 -90.6 163.2 18.5 54.0 49.5 86 86 A P - 0 0 1 0, 0.0 2,-0.4 0, 0.0 -24,-0.2 -0.106 38.5-110.2 -65.3 154.2 18.8 51.7 52.5 87 87 A I B -I 61 0C 0 -26,-3.4 -26,-2.1 -3,-0.1 6,-0.1 -0.752 42.6-128.9 -81.7 124.2 16.9 52.3 55.8 88 88 A S > - 0 0 2 -2,-0.4 3,-2.0 -28,-0.2 -38,-0.3 -0.557 26.9 -86.4 -83.9 153.3 19.6 53.3 58.3 89 89 A P T 3 S+ 0 0 32 0, 0.0 -38,-0.2 0, 0.0 -1,-0.1 -0.237 117.2 23.6 -53.0 127.8 20.2 51.8 61.8 90 90 A G T 3 S+ 0 0 61 -40,-3.0 2,-0.3 1,-0.4 -39,-0.1 0.468 110.9 88.6 89.4 8.9 18.0 53.6 64.3 91 91 A H < - 0 0 81 -3,-2.0 -41,-2.6 -41,-0.5 -1,-0.4 -0.798 60.5-147.9-128.5 167.6 15.5 54.8 61.7 92 92 A A E -H 49 0B 42 -2,-0.3 2,-0.3 -43,-0.2 -43,-0.2 -0.887 1.6-154.5-133.1 167.0 12.4 53.2 60.2 93 93 A F E -H 48 0B 5 -45,-2.1 -45,-3.0 -2,-0.3 2,-0.9 -0.973 13.2-139.4-147.6 131.9 10.5 53.3 56.8 94 94 A L E -H 47 0B 60 -2,-0.3 2,-0.4 -47,-0.3 -47,-0.2 -0.753 16.7-160.8 -97.0 103.6 6.9 52.7 56.1 95 95 A Y E -H 46 0B 0 -49,-2.6 -49,-2.6 -2,-0.9 2,-0.4 -0.711 9.4-173.3 -82.1 133.6 6.3 50.6 53.0 96 96 A K E +H 45 0B 97 -2,-0.4 2,-0.3 -51,-0.2 -51,-0.2 -0.993 22.8 121.9-130.4 130.4 2.8 50.9 51.6 97 97 A F E -H 44 0B 9 -53,-1.4 -53,-2.6 -2,-0.4 -25,-0.0 -0.975 39.8-132.3-167.9 175.8 1.5 48.8 48.7 98 98 A T - 0 0 50 -2,-0.3 -28,-0.3 -55,-0.2 -27,-0.2 -0.992 21.0-132.2-141.5 149.7 -1.1 46.4 47.6 99 99 A P > - 0 0 9 0, 0.0 3,-1.2 0, 0.0 -30,-0.2 0.725 40.6-145.9 -66.6 -22.6 -1.2 43.1 45.8 100 100 A A T 3 S- 0 0 74 -58,-0.4 -59,-0.2 1,-0.3 3,-0.1 0.910 72.8 -36.7 56.4 45.2 -4.0 44.7 43.7 101 101 A G T 3 S+ 0 0 35 -61,-2.7 2,-1.0 1,-0.2 -1,-0.3 0.413 106.7 131.1 91.9 -4.2 -5.8 41.4 43.2 102 102 A H < - 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0 0 18 -3,-2.6 -45,-1.2 -5,-0.1 -1,-0.5 -0.502 43.4-171.1 -79.1 148.9 20.1 26.3 26.8 433 435 A E E -A 386 0J 58 -22,-0.3 2,-0.1 -25,-0.3 -5,-0.1 -0.594 11.9-160.9-140.6 69.6 18.5 29.5 25.6 434 436 A V E -A 385 0J 3 -49,-0.5 -49,-2.2 -7,-0.4 2,-0.4 -0.402 9.9-165.7 -56.3 128.8 15.8 30.3 28.1 435 437 A T E -AC 384 407J 0 -28,-2.0 -28,-1.8 -51,-0.2 -29,-0.8 -0.985 8.4-179.7-128.4 126.7 13.4 32.8 26.6 436 438 A I E -AC 383 405J 4 -53,-2.5 -53,-2.7 -2,-0.4 2,-0.4 -0.943 8.9-157.0-129.1 154.4 10.8 34.8 28.5 437 439 A R E +AC 382 404J 1 -33,-2.3 -33,-2.8 -2,-0.3 2,-0.3 -0.971 16.9 156.0-133.3 148.4 8.1 37.4 27.6 438 440 A F E -A 381 0J 6 -57,-1.6 -57,-2.9 -2,-0.4 2,-0.4 -0.966 36.5-111.4-155.6 166.6 6.3 40.1 29.4 439 441 A V E -A 380 0J 44 -2,-0.3 2,-2.1 -59,-0.2 -59,-0.2 -0.869 28.3-121.0-103.5 141.3 4.4 43.4 28.6 440 442 A T + 0 0 1 -61,-2.2 -62,-2.5 -2,-0.4 -60,-0.1 -0.371 63.9 134.7 -84.0 73.9 5.8 46.8 29.6 441 443 A D + 0 0 70 -2,-2.1 -1,-0.2 -64,-0.2 -64,-0.1 0.045 49.7 71.6-106.6 20.0 2.8 47.7 31.7 442 444 A N S S- 0 0 1 2,-0.1 24,-0.2 -371,-0.1 -1,-0.1 -0.765 71.7-143.1-147.9 90.3 4.5 49.1 34.8 443 445 A P + 0 0 13 0, 0.0 -371,-0.3 0, 0.0 -369,-0.2 -0.358 58.8 63.4 -57.9 126.5 6.4 52.4 34.7 444 446 A G E S- I 0 466L 0 22,-2.7 22,-2.0 -2,-0.1 2,-0.5 -0.764 87.6 -60.5 143.5 168.7 9.6 52.5 36.7 445 447 A P E - I 0 465L 0 0, 0.0 2,-0.4 0, 0.0 20,-0.2 -0.721 50.8-172.8 -83.3 124.4 13.0 51.1 37.1 446 448 A W E - I 0 464L 0 18,-2.7 18,-2.7 -2,-0.5 2,-0.1 -0.977 20.2-124.8-126.4 132.4 13.1 47.3 37.7 447 449 A F E - I 0 463L 6 -2,-0.4 -48,-2.7 16,-0.2 2,-0.4 -0.397 19.6-172.7 -69.8 148.3 16.0 45.0 38.6 448 450 A F E +HI 398 462L 3 14,-2.3 14,-2.2 -50,-0.2 2,-0.3 -0.938 32.5 128.4-139.4 107.6 16.8 41.9 36.4 449 451 A H E -HI 397 461L 0 -52,-1.9 -52,-3.0 -2,-0.4 2,-0.2 -0.985 63.3 -77.7-158.0 166.9 19.4 39.7 37.9 450 452 A C E -H 396 0L 0 10,-1.9 6,-0.2 -2,-0.3 -54,-0.2 -0.512 36.5-147.1 -69.0 129.8 20.7 36.3 39.1 451 453 A H S S+ 0 0 0 -56,-2.9 2,-0.8 -2,-0.2 -1,-0.1 0.416 70.0 108.1 -84.0 -1.7 19.1 35.6 42.5 452 454 A I S >> S- 0 0 5 -57,-0.2 4,-1.8 1,-0.2 3,-1.2 -0.774 70.9-145.0 -68.3 110.6 22.2 33.8 43.7 453 455 A E H 3> S+ 0 0 3 -251,-1.9 4,-2.5 -2,-0.8 5,-0.2 0.869 93.3 54.6 -57.0 -37.9 23.2 36.6 46.1 454 456 A F H 3> S+ 0 0 38 -252,-0.5 4,-0.6 1,-0.2 -1,-0.3 0.797 110.7 48.6 -65.7 -26.2 27.0 36.2 45.7 455 457 A H H X4>S+ 0 0 22 -3,-1.2 5,-2.3 2,-0.2 3,-0.5 0.918 108.6 50.4 -80.6 -42.4 26.6 36.5 41.9 456 458 A L H ><5S+ 0 0 14 -4,-1.8 3,-1.7 1,-0.3 -2,-0.2 0.944 112.1 50.3 -56.7 -47.2 24.4 39.7 42.1 457 459 A M H 3<5S+ 0 0 105 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.704 108.3 52.6 -65.8 -22.5 27.1 41.1 44.4 458 460 A N T <<5S- 0 0 68 -4,-0.6 -120,-2.9 -3,-0.5 -1,-0.3 0.144 133.3 -82.1-100.1 17.8 29.8 40.2 41.9 459 461 A G T < 5S+ 0 0 0 -3,-1.7 -114,-2.3 -122,-0.2 2,-1.9 0.344 80.3 136.7 109.7 -4.2 28.1 41.9 39.0 460 462 A L < + 0 0 0 -5,-2.3 -10,-1.9 -116,-0.2 2,-0.3 -0.436 51.2 82.7 -85.1 77.0 25.4 39.7 37.5 461 463 A A E - I 0 449L 0 -2,-1.9 2,-0.3 -12,-0.2 -12,-0.2 -0.991 46.0-167.8-165.4 158.4 22.5 42.2 37.0 462 464 A I E - I 0 448L 1 -14,-2.2 -14,-2.3 -2,-0.3 2,-0.4 -0.915 20.9-129.3-143.0 165.7 21.0 44.9 34.8 463 465 A V E -fI 372 447L 0 -92,-2.7 -90,-2.9 -2,-0.3 2,-0.6 -0.986 9.5-146.2-120.4 137.8 18.2 47.5 35.4 464 466 A F E -fI 373 446L 0 -18,-2.7 -18,-2.7 -2,-0.4 2,-1.2 -0.883 3.8-155.9-100.5 118.7 15.3 48.1 33.1 465 467 A A E -fI 374 445L 0 -92,-2.0 -90,-2.6 -2,-0.6 2,-0.5 -0.808 25.7-164.0 -92.8 92.8 14.1 51.7 33.0 466 468 A E E -fI 375 444L 1 -22,-2.0 -22,-2.7 -2,-1.2 -89,-0.1 -0.747 57.4 -16.4 -89.2 125.6 10.6 50.9 31.9 467 469 A D >> - 0 0 7 -92,-2.5 3,-1.2 -2,-0.5 4,-0.5 0.939 68.5-176.7 48.2 63.4 8.4 53.7 30.5 468 470 A M H >> S+ 0 0 11 -3,-0.4 3,-1.4 -93,-0.4 4,-0.6 0.874 74.5 62.8 -56.4 -43.0 10.4 56.6 31.8 469 471 A A H 34 S+ 0 0 94 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.768 111.4 36.4 -58.1 -29.8 7.9 59.2 30.5 470 472 A N H <> S+ 0 0 50 -3,-1.2 4,-2.3 1,-0.1 -1,-0.3 0.369 91.4 96.0-106.5 9.5 5.1 57.9 32.8 471 473 A T H > - 0 0 41 0, 0.0 3,-1.9 0, 0.0 4,-0.6 -0.348 33.3-104.6 -68.0 162.0 6.1 59.6 50.5 479 481 A V H 3> S+ 0 0 96 1,-0.3 4,-1.3 2,-0.2 3,-0.4 0.885 120.8 61.8 -58.8 -33.2 8.4 62.5 51.7 480 482 A E H 3> S+ 0 0 105 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.716 90.3 71.4 -66.1 -22.7 10.3 60.1 53.8 481 483 A W H X4 S+ 0 0 8 -3,-1.9 3,-1.1 2,-0.2 4,-0.5 0.952 101.6 38.1 -64.7 -51.8 11.4 58.1 50.8 482 484 A A H >X S+ 0 0 40 -4,-0.6 3,-1.3 -3,-0.4 4,-0.9 0.892 109.0 66.5 -68.0 -28.3 13.9 60.5 49.2 483 485 A Q H 3X S+ 0 0 74 -4,-1.3 4,-2.5 1,-0.3 5,-0.3 0.726 83.9 74.3 -64.8 -21.0 15.0 61.4 52.8 484 486 A L H S+ 0 0 13 -3,-1.3 4,-2.8 -4,-0.5 -1,-0.2 0.896 110.5 49.3 -65.8 -36.9 19.3 58.8 50.8 486 488 A E H X S+ 0 0 110 -4,-0.9 4,-1.1 2,-0.2 -2,-0.2 0.938 114.8 44.5 -69.0 -42.8 20.2 61.9 52.8 487 489 A I H < S+ 0 0 51 -4,-2.5 3,-0.3 1,-0.2 4,-0.3 0.923 116.7 47.4 -64.7 -43.3 20.1 60.0 56.1 488 490 A Y H >< S+ 0 0 60 -4,-2.9 3,-1.4 -5,-0.3 -2,-0.2 0.928 110.2 50.0 -63.8 -46.9 22.1 57.2 54.5 489 491 A D H 3< S+ 0 0 103 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.691 107.7 56.3 -66.4 -20.7 24.7 59.4 52.9 490 492 A D T 3< S+ 0 0 133 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.446 78.5 126.7 -88.4 -10.4 25.3 61.3 56.2 491 493 A L < - 0 0 38 -3,-1.4 5,-0.0 -4,-0.3 -3,-0.0 -0.312 61.2-122.3 -54.1 136.3 26.1 58.1 58.2 492 494 A P >> - 0 0 55 0, 0.0 3,-1.5 0, 0.0 4,-0.6 -0.311 28.5-104.5 -72.1 158.0 29.4 58.2 60.1 493 495 A P H >> S+ 0 0 103 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.843 118.4 57.1 -54.9 -37.6 31.9 55.5 59.4 494 496 A E H 34 S+ 0 0 129 1,-0.2 -3,-0.0 2,-0.2 0, 0.0 0.694 98.1 62.9 -70.0 -20.3 31.2 53.5 62.6 495 497 A A H <4 S+ 0 0 21 -3,-1.5 -1,-0.2 1,-0.2 -436,-0.1 0.706 116.9 26.3 -78.2 -19.7 27.6 53.2 61.6 496 498 A T H << S+ 0 0 56 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.327 87.9 127.1-124.9 3.1 28.3 51.1 58.5 497 499 A S < - 0 0 59 -4,-0.8 2,-0.5 1,-0.1 -438,-0.1 -0.345 50.3-140.9 -63.1 148.7 31.7 49.5 59.4 498 500 A I - 0 0 82 -442,-0.1 2,-0.8 -440,-0.1 -442,-0.2 -0.960 3.2-148.7-117.8 124.6 31.8 45.7 59.0 499 501 A Q - 0 0 113 -444,-2.8 2,-0.2 -2,-0.5 -341,-0.1 -0.854 16.8-145.7 -91.7 107.1 33.6 43.7 61.5 500 502 A T 0 0 103 -2,-0.8 -342,-0.1 -343,-0.1 -443,-0.1 -0.510 360.0 360.0 -78.2 145.5 35.0 40.6 59.7 501 503 A V 0 0 106 -2,-0.2 -347,-0.0 -445,-0.2 -1,-0.0 -0.699 360.0 360.0-140.0 360.0 35.1 37.5 61.9