==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-AUG-05 2D0H . COMPND 2 MOLECULE: ALPHA-AMYLASE I; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR A.ABE,H.YOSHIDA,T.TONOZUKA,Y.SAKANO,S.KAMITORI . 637 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21911.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 416 65.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 5.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 109 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 48 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 16.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.0 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 3 4 0 1 0 0 0 2 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 3 3 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 . 6 5 3 1 2 2 2 2 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 . 6 0 0 1 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 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 65 0, 0.0 2,-0.3 0, 0.0 41,-0.2 0.000 360.0 360.0 360.0 158.8 -50.8 -57.4 12.9 2 2 A A - 0 0 48 40,-0.3 2,-1.4 4,-0.3 4,-0.3 -0.924 360.0 -60.4-168.7-173.2 -53.5 -56.2 10.5 3 3 A N S S+ 0 0 110 -2,-0.3 40,-0.1 1,-0.1 39,-0.1 -0.705 76.2 131.2 -90.0 88.4 -57.1 -54.8 10.3 4 4 A D S S- 0 0 80 -2,-1.4 -1,-0.1 38,-0.4 93,-0.1 -0.165 83.6 -94.0-134.0 39.4 -58.8 -57.8 12.0 5 5 A N S S+ 0 0 88 1,-0.1 2,-0.3 94,-0.1 92,-0.1 0.868 97.0 103.9 49.1 41.9 -61.0 -56.2 14.7 6 6 A N - 0 0 82 36,-0.3 2,-0.5 -4,-0.3 -2,-0.4 -0.903 58.7-152.1-158.2 125.6 -58.3 -56.7 17.2 7 7 A V - 0 0 5 -2,-0.3 2,-1.0 87,-0.1 36,-0.1 -0.858 20.9-139.3 -97.4 123.4 -55.8 -54.4 18.9 8 8 A E > - 0 0 60 -2,-0.5 3,-1.9 1,-0.2 4,-0.5 -0.729 10.0-162.6 -89.8 101.5 -52.6 -56.2 19.9 9 9 A W G > S+ 0 0 113 -2,-1.0 3,-1.5 1,-0.3 -1,-0.2 0.810 82.9 67.4 -47.8 -41.6 -51.5 -54.8 23.4 10 10 A N G 3 S+ 0 0 122 1,-0.3 -1,-0.3 3,-0.0 -2,-0.0 0.706 102.2 46.9 -57.5 -22.5 -47.9 -56.1 23.1 11 11 A G G < S+ 0 0 0 -3,-1.9 -1,-0.3 28,-0.1 -2,-0.2 0.537 92.9 100.6 -97.5 -6.9 -47.2 -53.7 20.3 12 12 A L < + 0 0 8 -3,-1.5 2,-0.3 -4,-0.5 26,-0.2 -0.483 44.0 154.0 -80.6 147.4 -48.7 -50.6 22.0 13 13 A F B +A 37 0A 16 24,-1.4 24,-2.4 -2,-0.2 2,-0.3 -0.872 11.1 155.4-174.1 142.3 -46.7 -48.0 23.8 14 14 A H + 0 0 3 -2,-0.3 2,-0.3 22,-0.2 93,-0.1 -0.905 9.2 142.7-167.4 138.7 -46.5 -44.4 25.0 15 15 A D - 0 0 27 -2,-0.3 20,-0.2 20,-0.2 540,-0.1 -0.874 59.7 -91.5-159.0-179.7 -44.8 -42.3 27.6 16 16 A Q S S+ 0 0 7 -2,-0.3 5,-0.1 538,-0.1 539,-0.0 0.108 76.7 125.8 -97.6 27.8 -43.4 -38.8 27.6 17 17 A G S >> S- 0 0 3 1,-0.1 3,-2.2 539,-0.1 4,-1.2 -0.314 80.8 -84.9 -75.6 166.7 -39.8 -39.7 26.6 18 18 A P T 34 S+ 0 0 68 0, 0.0 556,-0.1 0, 0.0 3,-0.1 0.720 125.1 54.6 -40.8 -40.2 -38.1 -38.0 23.5 19 19 A L T 34 S+ 0 0 33 554,-0.3 3,-0.1 1,-0.2 555,-0.1 0.694 119.4 30.6 -74.4 -17.3 -39.5 -40.5 21.0 20 20 A F T <4 S+ 0 0 2 -3,-2.2 15,-1.8 1,-0.3 2,-0.3 0.455 120.3 40.4-122.4 -1.1 -43.1 -40.0 21.9 21 21 A D B < -B 34 0A 5 -4,-1.2 -1,-0.3 13,-0.2 13,-0.2 -0.861 49.0-169.0-154.2 113.5 -43.4 -36.4 23.1 22 22 A N S S+ 0 0 95 11,-1.7 12,-0.1 -2,-0.3 3,-0.1 0.435 90.4 38.9 -81.8 0.5 -41.8 -33.3 21.6 23 23 A A + 0 0 4 10,-0.2 -1,-0.2 1,-0.1 7,-0.0 -0.384 57.5 158.2-150.1 66.5 -42.7 -31.1 24.6 24 24 A P S S+ 0 0 49 0, 0.0 435,-0.4 0, 0.0 97,-0.2 0.735 86.8 37.3 -62.0 -24.3 -42.4 -32.9 28.0 25 25 A E S S- 0 0 32 433,-0.1 98,-0.1 -3,-0.1 95,-0.1 -0.614 90.7-167.3-128.2 69.7 -42.2 -29.6 29.7 26 26 A P - 0 0 6 0, 0.0 97,-2.2 0, 0.0 98,-0.9 -0.244 14.4-132.0 -62.4 141.8 -44.6 -27.4 27.7 27 27 A T > - 0 0 64 95,-0.3 3,-1.6 96,-0.2 57,-0.2 -0.335 42.4 -86.8 -82.5 174.2 -44.7 -23.6 28.1 28 28 A S T 3 S+ 0 0 31 1,-0.3 58,-0.1 94,-0.2 56,-0.1 0.646 129.7 30.6 -58.9 -16.6 -48.0 -21.8 28.6 29 29 A T T 3 S+ 0 0 106 54,-0.1 2,-0.3 56,-0.1 -1,-0.3 0.176 90.6 126.4-126.9 15.3 -48.5 -21.6 24.8 30 30 A Q < - 0 0 76 -3,-1.6 54,-0.3 54,-0.1 2,-0.2 -0.602 53.0-135.9 -85.0 134.8 -46.7 -24.7 23.6 31 31 A S - 0 0 58 -2,-0.3 2,-0.6 52,-0.1 -4,-0.1 -0.563 17.0-140.5 -81.0 148.0 -48.4 -27.3 21.4 32 32 A V E - C 0 81A 4 49,-1.5 49,-2.5 -2,-0.2 2,-0.6 -0.921 12.9-166.5-119.1 109.8 -47.8 -30.9 22.3 33 33 A T E - C 0 80A 35 -2,-0.6 -11,-1.7 47,-0.2 2,-0.3 -0.834 14.0-170.0 -96.1 123.1 -47.3 -33.4 19.5 34 34 A L E -BC 21 79A 0 45,-3.4 45,-2.3 -2,-0.6 2,-0.4 -0.811 12.3-150.9-114.7 153.4 -47.5 -37.0 20.7 35 35 A K E - C 0 78A 62 -15,-1.8 2,-0.5 -2,-0.3 43,-0.2 -0.974 3.8-158.3-125.0 137.6 -46.8 -40.4 19.1 36 36 A L E - C 0 77A 0 41,-3.0 41,-2.6 -2,-0.4 2,-0.4 -0.956 12.9-144.7-115.3 130.0 -48.4 -43.7 19.8 37 37 A R E +AC 13 76A 6 -24,-2.4 -24,-1.4 -2,-0.5 2,-0.3 -0.770 27.3 158.7 -96.9 138.2 -46.6 -47.0 18.9 38 38 A T E - C 0 75A 0 37,-1.7 37,-3.1 -2,-0.4 -26,-0.1 -0.932 51.0 -78.9-146.0 165.2 -48.4 -50.1 17.7 39 39 A F E > S- C 0 74A 32 -31,-0.3 3,-1.9 -2,-0.3 4,-0.3 -0.407 72.4 -79.6 -63.5 148.1 -47.5 -53.2 15.7 40 40 A K T 3 S- 0 0 101 33,-2.4 -1,-0.1 1,-0.3 28,-0.1 -0.260 112.2 -2.1 -54.9 130.9 -47.2 -52.3 12.0 41 41 A G T 3 S+ 0 0 30 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.662 94.4 127.2 61.9 22.0 -50.7 -52.2 10.4 42 42 A D < + 0 0 0 -3,-1.9 -38,-0.4 -41,-0.2 -36,-0.3 0.754 59.7 44.0 -82.0 -26.4 -52.5 -53.2 13.5 43 43 A I - 0 0 7 -4,-0.3 53,-0.3 -40,-0.1 3,-0.1 -0.742 52.7-153.1-121.3 169.4 -55.1 -50.4 13.9 44 44 A T S S- 0 0 64 51,-2.8 2,-0.3 1,-0.4 52,-0.2 0.621 81.3 -4.9-109.1 -22.8 -57.6 -48.4 11.9 45 45 A S E -E 95 0B 44 50,-2.0 50,-2.9 19,-0.0 -1,-0.4 -0.974 54.5-163.3-167.3 156.8 -57.8 -45.3 14.0 46 46 A A E -E 94 0B 2 17,-0.4 17,-2.5 -2,-0.3 2,-0.3 -0.995 6.8-163.0-147.6 144.0 -56.5 -43.7 17.2 47 47 A N E -EF 93 62B 25 46,-2.3 46,-2.1 -2,-0.3 2,-0.7 -0.962 19.7-136.8-130.5 146.7 -57.6 -40.7 19.3 48 48 A I E -EF 92 61B 0 13,-3.3 13,-2.5 -2,-0.3 2,-0.7 -0.913 25.5-163.6 -96.5 118.8 -56.0 -38.6 22.0 49 49 A K E +EF 91 60B 15 42,-2.8 42,-1.8 -2,-0.7 2,-0.4 -0.918 15.9 176.3-107.8 109.6 -58.7 -38.1 24.5 50 50 A Y E -EF 90 59B 14 9,-2.8 9,-2.2 -2,-0.7 2,-0.4 -0.917 27.8-137.2-122.9 145.3 -57.9 -35.3 26.9 51 51 A W E -EF 89 58B 65 38,-3.0 38,-1.7 -2,-0.4 2,-0.5 -0.774 18.9-154.5 -92.4 133.6 -59.6 -33.5 29.7 52 52 A D E >>> -EF 88 57B 16 5,-2.2 5,-1.1 -2,-0.4 4,-0.8 -0.951 13.3-159.6-115.0 120.7 -59.2 -29.7 29.8 53 53 A T T 345S+ 0 0 65 34,-2.1 -1,-0.1 -2,-0.5 35,-0.1 0.720 89.1 73.9 -66.7 -18.2 -59.5 -27.9 33.1 54 54 A A T 345S+ 0 0 67 33,-0.3 -1,-0.2 1,-0.2 34,-0.1 0.887 116.4 11.4 -62.7 -42.5 -60.3 -24.9 31.0 55 55 A D T <45S- 0 0 81 -3,-0.7 -1,-0.2 2,-0.2 -2,-0.2 0.177 98.4-116.0-125.9 19.1 -63.8 -25.9 30.0 56 56 A N T <5S+ 0 0 124 -4,-0.8 2,-0.3 1,-0.2 -3,-0.2 0.838 78.5 105.5 51.6 41.1 -64.5 -28.9 32.3 57 57 A A E - 0 0 7 5,-1.1 3,-2.1 -2,-0.3 531,-0.1 -0.328 42.1 -92.5 -78.5 169.4 -39.5 -47.7 13.3 70 70 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 531,-0.0 0.789 126.4 53.1 -53.7 -30.8 -36.1 -48.8 11.8 71 71 A T T 3 S- 0 0 48 526,-0.1 532,-0.0 529,-0.1 530,-0.0 0.526 104.7-128.6 -84.6 -5.0 -36.8 -52.5 12.2 72 72 A G S < S+ 0 0 24 -3,-2.1 -32,-0.1 2,-0.1 3,-0.0 0.702 79.9 112.0 66.3 19.2 -40.1 -52.2 10.3 73 73 A T S S+ 0 0 54 524,-0.1 -33,-2.4 -34,-0.1 2,-0.3 0.746 70.5 42.6 -93.5 -26.7 -41.9 -53.9 13.2 74 74 A F E -C 39 0A 0 -35,-0.3 -5,-1.1 -5,-0.1 2,-0.3 -0.802 63.5-139.1-124.5 163.9 -44.0 -51.0 14.4 75 75 A D E -CD 38 68A 8 -37,-3.1 -37,-1.7 -2,-0.3 2,-0.4 -0.778 15.2-147.0-110.2 157.5 -46.1 -48.0 13.3 76 76 A Y E -CD 37 67A 23 -9,-2.2 -10,-3.5 -2,-0.3 -9,-1.5 -0.996 11.8-168.4-129.1 122.1 -46.0 -44.6 14.8 77 77 A W E -CD 36 65A 30 -41,-2.6 -41,-3.0 -2,-0.4 2,-0.4 -0.889 9.9-159.1-109.0 143.6 -49.2 -42.5 15.0 78 78 A K E +CD 35 64A 73 -14,-2.8 -14,-2.2 -2,-0.4 2,-0.3 -0.956 15.5 170.8-130.8 147.8 -49.1 -38.8 15.9 79 79 A G E -C 34 0A 6 -45,-2.3 -45,-3.4 -2,-0.4 2,-0.5 -0.986 21.1-137.5-147.4 153.8 -51.5 -36.2 17.2 80 80 A T E -C 33 0A 60 -18,-0.3 -47,-0.2 -2,-0.3 -32,-0.1 -0.958 9.3-145.4-121.8 128.5 -51.2 -32.6 18.5 81 81 A I E -C 32 0A 3 -49,-2.5 -49,-1.5 -2,-0.5 -20,-0.0 -0.772 32.6-109.7 -90.5 126.8 -53.0 -31.2 21.5 82 82 A P - 0 0 74 0, 0.0 2,-0.1 0, 0.0 -52,-0.1 -0.176 38.6-111.4 -53.7 144.0 -54.0 -27.5 21.1 83 83 A A + 0 0 47 -54,-0.2 -52,-0.1 -52,-0.0 -54,-0.1 -0.458 52.3 130.4 -84.2 152.9 -52.1 -25.0 23.2 84 84 A S - 0 0 32 -54,-0.3 -54,-0.1 -57,-0.2 -55,-0.1 -0.835 63.8-100.8 174.2 156.5 -53.3 -23.0 26.2 85 85 A P S S+ 0 0 95 0, 0.0 -56,-0.1 0, 0.0 -57,-0.0 0.618 84.6 111.1 -66.9 -14.5 -52.2 -22.4 29.8 86 86 A S S S- 0 0 21 -58,-0.1 2,-0.2 1,-0.1 -2,-0.1 -0.289 74.5-112.3 -67.7 145.3 -54.7 -24.8 31.2 87 87 A I - 0 0 29 34,-0.1 -34,-2.1 -35,-0.0 2,-0.3 -0.538 39.8-171.1 -73.8 140.9 -53.7 -28.1 32.8 88 88 A K E -EG 52 120B 3 32,-2.3 32,-1.8 -2,-0.2 2,-0.4 -0.959 16.0-155.5-136.6 153.1 -54.8 -31.2 30.8 89 89 A Y E -EG 51 119B 64 -38,-1.7 -38,-3.0 -2,-0.3 2,-0.3 -0.979 19.3-169.4-127.0 140.5 -54.9 -35.0 31.3 90 90 A Y E +EG 50 118B 0 28,-1.7 28,-2.8 -2,-0.4 2,-0.3 -0.950 18.9 168.9-140.2 158.8 -54.9 -37.5 28.4 91 91 A R E -E 49 0B 13 -42,-1.8 -42,-2.8 -2,-0.3 2,-0.4 -0.862 33.3-109.3-146.6 172.2 -55.3 -41.2 27.5 92 92 A F E -EH 48 103B 0 11,-2.4 11,-1.6 -2,-0.3 2,-0.6 -0.919 9.2-156.6-118.7 142.5 -55.7 -43.0 24.2 93 93 A Q E -EH 47 102B 40 -46,-2.1 -46,-2.3 -2,-0.4 2,-0.5 -0.971 21.7-167.5-110.4 113.6 -58.6 -44.7 22.5 94 94 A I E -EH 46 101B 0 7,-3.2 7,-2.5 -2,-0.6 2,-0.4 -0.923 6.1-169.0-109.1 122.8 -57.0 -47.2 20.1 95 95 A N E +EH 45 100B 16 -50,-2.9 -51,-2.8 -2,-0.5 -50,-2.0 -0.900 24.5 172.6-121.1 143.7 -59.3 -48.8 17.5 96 96 A D E > S- H 0 99B 1 3,-2.4 3,-2.2 -2,-0.4 2,-0.2 -0.874 73.2 -57.1-141.2 100.5 -59.2 -51.6 15.0 97 97 A G T 3 S- 0 0 40 -2,-0.3 -1,-0.1 1,-0.3 -53,-0.1 -0.431 121.6 -14.8 64.5-126.7 -62.5 -52.2 13.4 98 98 A T T 3 S+ 0 0 125 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.475 119.4 97.6 -87.1 -3.5 -65.1 -53.0 16.2 99 99 A S E < -H 96 0B 25 -3,-2.2 -3,-2.4 2,-0.0 2,-0.4 -0.693 51.5-177.0 -90.2 138.5 -62.3 -53.6 18.7 100 100 A T E -H 95 0B 58 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.998 6.9-179.6-138.2 137.9 -61.2 -50.8 21.1 101 101 A A E -H 94 0B 1 -7,-2.5 -7,-3.2 -2,-0.4 2,-0.3 -0.942 16.2-141.8-131.7 153.2 -58.4 -50.6 23.7 102 102 A W E -HI 93 109B 22 7,-2.8 7,-2.2 -2,-0.3 2,-0.3 -0.849 12.6-166.8-116.4 155.4 -57.5 -47.8 26.0 103 103 A Y E +HI 92 108B 17 -11,-1.6 -11,-2.4 -2,-0.3 2,-0.2 -0.971 19.1 139.7-147.6 127.3 -54.0 -46.6 27.1 104 104 A N E > - 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0 0 25 4,-2.7 3,-2.5 -2,-0.3 4,-0.1 -0.457 50.2 -91.5 -85.2 170.7 -40.0 -51.7 54.9 433 433 A Y T 3 S+ 0 0 32 1,-0.3 41,-1.5 2,-0.1 46,-0.1 0.595 128.9 59.9 -64.2 -4.9 -37.6 -48.7 55.4 434 434 A Q T 3 S- 0 0 82 39,-0.2 -1,-0.3 2,-0.1 81,-0.1 0.335 120.6-109.0 -99.1 4.5 -38.2 -48.9 59.2 435 435 A N S < S+ 0 0 54 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.696 72.8 139.2 75.4 23.1 -36.8 -52.4 59.1 436 436 A N - 0 0 98 -4,-0.1 -4,-2.7 1,-0.1 -1,-0.3 -0.747 67.3 -93.5 -90.3 146.2 -40.1 -54.2 59.8 437 437 A S B +Z 431 0L 106 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.2 -0.410 66.2 141.6 -63.8 130.7 -40.5 -57.4 57.7 438 438 A A - 0 0 30 -8,-2.9 2,-0.3 -2,-0.1 -8,-0.1 -0.712 21.6-178.3-172.9 116.7 -42.3 -56.7 54.4 439 439 A S - 0 0 90 -2,-0.2 2,-0.3 -10,-0.1 -12,-0.2 -0.863 9.3-167.7-126.1 156.8 -41.6 -58.1 51.0 440 440 A I - 0 0 20 -14,-1.2 -10,-0.1 -2,-0.3 -2,-0.0 -0.990 23.6-116.7-140.9 148.4 -42.9 -57.8 47.4 441 441 A S > - 0 0 55 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.156 36.2-100.4 -75.5 175.5 -42.3 -59.9 44.2 442 442 A T H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 123.7 49.1 -65.4 -40.7 -40.7 -58.6 41.1 443 443 A T H > S+ 0 0 51 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 112.1 48.3 -65.8 -39.4 -44.1 -58.1 39.3 444 444 A Q H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.832 110.2 53.7 -68.1 -32.6 -45.4 -56.2 42.4 445 445 A F H X S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.950 110.6 44.9 -65.9 -49.9 -42.2 -54.1 42.4 446 446 A D H X S+ 0 0 8 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.875 115.7 48.1 -61.5 -39.4 -42.7 -53.1 38.7 447 447 A S H X S+ 0 0 50 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.912 111.1 49.4 -67.9 -45.5 -46.3 -52.4 39.3 448 448 A W H X S+ 0 0 62 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.954 111.9 49.7 -58.0 -52.2 -45.6 -50.3 42.5 449 449 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.876 114.2 44.3 -55.6 -43.7 -43.0 -48.3 40.6 450 450 A R H X S+ 0 0 58 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 111.6 52.1 -70.8 -43.0 -45.3 -47.6 37.6 451 451 A G H < S+ 0 0 21 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.869 113.7 43.9 -61.4 -37.7 -48.3 -46.8 39.7 452 452 A T H >< S+ 0 0 12 -4,-2.3 3,-1.5 -5,-0.2 4,-0.3 0.872 110.2 54.1 -77.0 -36.1 -46.4 -44.2 41.8 453 453 A R H >< S+ 0 0 33 -4,-1.9 3,-2.5 -5,-0.3 -2,-0.2 0.931 102.7 60.5 -59.7 -41.3 -44.7 -42.8 38.7 454 454 A A T 3< S+ 0 0 11 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.606 89.7 70.4 -61.5 -12.6 -48.2 -42.3 37.3 455 455 A N T < S+ 0 0 32 -3,-1.5 -1,-0.3 -4,-0.1 -49,-0.2 0.632 101.9 52.9 -78.6 -12.9 -48.9 -40.0 40.3 456 456 A Y S < S- 0 0 10 -3,-2.5 -337,-0.2 -4,-0.3 -54,-0.0 -0.856 85.8-106.7-129.0 159.6 -46.6 -37.5 38.7 457 457 A P > - 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q 0 502C 0 -2,-0.8 36,-0.2 34,-0.2 3,-0.1 -0.876 40.0-145.6-117.2 148.9 -32.3 -42.4 48.0 468 468 A L S S- 0 0 5 34,-0.6 2,-0.3 -2,-0.3 -1,-0.1 0.791 88.9 -6.4 -77.3 -29.1 -31.9 -45.9 49.5 469 469 A S - 0 0 0 33,-0.3 2,-0.3 6,-0.1 -1,-0.2 -0.961 65.8-176.5-156.0 165.4 -31.8 -44.4 53.0 470 470 A N > - 0 0 3 -2,-0.3 3,-1.3 4,-0.2 34,-0.0 -0.892 49.4 -72.9-154.9-176.4 -31.7 -41.0 54.7 471 471 A H T 3 S+ 0 0 1 -2,-0.3 48,-0.2 1,-0.2 4,-0.1 0.524 122.7 51.1 -65.3 -8.8 -31.5 -39.4 58.1 472 472 A D T 3 S+ 0 0 46 2,-0.1 2,-0.3 43,-0.1 -1,-0.2 0.441 107.6 49.5-109.5 0.5 -35.0 -40.4 59.2 473 473 A I S < S- 0 0 0 -3,-1.3 -39,-0.2 46,-0.1 -3,-0.1 -0.832 92.2 -80.1-132.8 170.7 -35.0 -44.1 58.4 474 474 A T - 0 0 6 -41,-1.5 -4,-0.2 -2,-0.3 40,-0.2 -0.309 56.2 -94.2 -69.0 155.5 -32.9 -47.2 59.0 475 475 A R >> - 0 0 0 38,-2.5 4,-2.2 39,-0.2 3,-0.5 -0.397 23.4-128.9 -71.2 146.3 -29.8 -47.9 56.8 476 476 A F H 3> S+ 0 0 2 1,-0.2 4,-2.1 2,-0.2 6,-0.2 0.904 109.1 55.0 -60.0 -44.2 -30.2 -50.1 53.7 477 477 A A H 34>S+ 0 0 6 34,-0.6 5,-2.3 1,-0.2 -1,-0.2 0.744 108.8 48.7 -63.8 -24.8 -27.2 -52.2 54.8 478 478 A T H X45S+ 0 0 30 -3,-0.5 3,-1.6 33,-0.3 -1,-0.2 0.900 110.8 48.8 -80.0 -42.9 -28.8 -52.9 58.1 479 479 A R H 3<5S+ 0 0 4 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.2 0.818 110.2 54.8 -63.1 -28.4 -32.1 -53.8 56.5 480 480 A S T ><5S- 0 0 11 -4,-2.1 3,-1.1 -5,-0.2 -1,-0.3 0.484 111.1-123.8 -81.9 -6.0 -30.0 -56.0 54.2 481 481 A G T < 5S- 0 0 66 -3,-1.6 -3,-0.2 1,-0.2 3,-0.1 0.769 70.3 -56.0 68.2 23.3 -28.5 -57.8 57.2 482 482 A G T 3 - 0 0 52 -3,-1.1 3,-1.1 -6,-0.2 4,-0.7 -0.651 27.8-170.5 -78.4 95.7 -25.5 -58.5 52.5 484 484 A L H >> S+ 0 0 48 -2,-1.3 4,-1.7 1,-0.3 3,-0.5 0.781 80.1 64.0 -59.0 -31.8 -23.4 -56.1 50.5 485 485 A W H 3> S+ 0 0 112 1,-0.3 4,-2.5 2,-0.2 -1,-0.3 0.843 94.0 61.1 -64.2 -30.3 -24.6 -57.6 47.2 486 486 A K H <> S+ 0 0 37 -3,-1.1 4,-2.2 1,-0.2 -1,-0.3 0.876 104.8 49.1 -62.8 -32.1 -28.0 -56.4 48.0 487 487 A T H X S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 4,-0.7 0.963 115.1 49.9 -58.7 -52.4 -31.3 -50.1 39.9 494 494 A Q H >< S+ 0 0 2 -4,-2.8 3,-0.9 1,-0.3 -2,-0.2 0.895 109.3 49.9 -52.6 -48.8 -30.9 -46.7 41.4 495 495 A M H 3< S+ 0 0 1 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.557 118.5 39.7 -72.0 -7.0 -28.3 -45.5 38.9 496 496 A T H << S+ 0 0 2 -3,-1.4 -1,-0.2 -4,-0.7 -2,-0.2 0.328 98.6 92.1-122.4 6.4 -30.5 -46.6 36.0 497 497 A Y S << S- 0 0 3 -3,-0.9 2,-0.5 -4,-0.7 -31,-0.0 -0.272 85.0 -82.5 -94.5-177.5 -34.0 -45.6 37.2 498 498 A V S S+ 0 0 9 -2,-0.1 2,-0.1 2,-0.1 -36,-0.1 -0.750 92.1 39.4 -88.7 125.2 -36.2 -42.5 36.7 499 499 A G S S- 0 0 0 -2,-0.5 -36,-0.2 53,-0.3 -37,-0.2 -0.380 101.4 -50.9 119.9 160.5 -35.3 -39.7 39.1 500 500 A T E - q 0 465C 0 -36,-2.0 -34,-2.5 -2,-0.1 2,-0.2 -0.533 53.7-128.2 -71.9 116.1 -32.2 -38.2 40.7 501 501 A P E - q 0 466C 0 0, 0.0 -366,-3.3 0, 0.0 2,-0.5 -0.482 29.7-166.4 -64.9 128.8 -30.0 -40.9 42.2 502 502 A T E -kq 135 467C 0 -36,-2.8 -34,-0.6 -2,-0.2 2,-0.6 -0.961 9.6-158.4-126.7 116.1 -29.3 -39.8 45.8 503 503 A I E -k 136 0C 3 -368,-2.9 -366,-2.3 -2,-0.5 2,-0.7 -0.815 11.3-145.3 -95.9 116.8 -26.6 -41.3 47.9 504 504 A Y E > -k 137 0C 0 -2,-0.6 3,-2.7 -368,-0.2 4,-0.3 -0.724 47.3 -90.2 -80.4 117.7 -27.0 -40.8 51.7 505 505 A Y T 3 S+ 0 0 0 -368,-3.1 -1,-0.1 -2,-0.7 -366,-0.0 0.086 113.4 20.8 -31.7 123.1 -23.3 -40.5 52.9 506 506 A G T >>>S+ 0 0 0 -3,-0.1 5,-2.0 17,-0.0 3,-2.0 -0.098 93.6 97.0 105.3 -36.0 -22.0 -43.9 53.8 507 507 A D G X45S+ 0 0 6 -3,-2.7 3,-0.6 1,-0.3 -2,-0.1 0.799 73.6 69.7 -57.8 -27.6 -24.4 -46.1 51.7 508 508 A E G 345S+ 0 0 0 -4,-0.3 30,-0.3 1,-0.2 -1,-0.3 0.735 109.2 33.3 -64.5 -21.6 -21.8 -46.2 49.0 509 509 A Y G <45S- 0 0 23 -3,-2.0 -1,-0.2 25,-0.2 -2,-0.2 0.428 123.4 -95.9-113.3 0.5 -19.6 -48.5 51.1 510 510 A G T <<5 - 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