==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAY-09 2WI0 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR B.A.LUND,I.LEIROS,H.-K.S.LEIROS . 318 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 34 10.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.2 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 0 0 0 0 0 0 0 0 1 0 1 1 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 PARALLEL BRIDGES PER LADDER . 1 5 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 1 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 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 I 0 0 83 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 157.0 8.6 51.6 -0.2 2 2 A T + 0 0 130 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.786 360.0 96.4 -86.1 135.1 6.5 54.8 0.2 3 3 A G - 0 0 41 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.968 69.9 -46.5 176.0-157.2 6.7 56.1 3.8 4 4 A T E -A 24 0A 90 20,-2.3 20,-3.4 -2,-0.3 2,-0.3 -0.850 48.3-118.4-108.2 134.1 8.3 58.5 6.2 5 5 A S E +A 23 0A 69 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.561 44.7 165.7 -73.7 131.3 12.0 59.1 6.5 6 6 A T E -A 22 0A 31 16,-2.9 16,-2.1 -2,-0.3 2,-0.4 -0.751 33.4-123.0-136.8 173.5 13.2 58.2 10.0 7 7 A V E -A 21 0A 87 14,-0.2 14,-0.2 -2,-0.2 2,-0.1 -0.965 27.5-176.1-131.5 117.9 16.6 57.6 11.7 8 8 A G E -A 20 0A 2 12,-3.5 12,-2.1 -2,-0.4 2,-0.3 -0.413 13.6-138.0 -99.3-176.9 17.3 54.3 13.4 9 9 A V E +Ab 19 61A 33 51,-1.5 53,-3.2 10,-0.3 2,-0.3 -0.990 31.0 139.4-141.9 142.5 20.3 53.1 15.4 10 10 A G E -Ab 18 62A 0 8,-2.0 8,-2.5 -2,-0.3 2,-0.4 -0.907 43.6 -92.8-156.7-165.3 22.3 49.9 15.5 11 11 A R E -A 17 0A 104 51,-1.9 60,-0.3 -2,-0.3 6,-0.2 -0.971 32.0-134.1-122.7 139.6 25.7 48.3 15.7 12 12 A G > - 0 0 4 4,-2.4 3,-2.2 -2,-0.4 56,-0.2 -0.164 42.1 -81.6 -79.5-178.8 27.9 47.2 12.8 13 13 A V T 3 S+ 0 0 28 55,-0.5 55,-0.1 1,-0.3 122,-0.1 0.780 130.7 50.6 -54.7 -32.2 29.9 44.0 12.3 14 14 A L T 3 S- 0 0 90 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.256 121.8-102.1 -98.7 12.5 32.7 45.4 14.6 15 15 A G S < S+ 0 0 49 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.524 73.9 142.0 84.8 9.1 30.4 46.4 17.5 16 16 A D - 0 0 61 1,-0.0 -4,-2.4 2,-0.0 2,-0.3 -0.640 48.6-127.9 -85.6 136.6 30.4 50.1 16.7 17 17 A Q E +A 11 0A 131 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.653 36.3 164.7 -87.2 137.0 27.1 52.1 17.2 18 18 A K E -A 10 0A 13 -8,-2.5 -8,-2.0 -2,-0.3 2,-0.3 -0.994 35.2-117.4-150.5 148.2 25.9 54.2 14.3 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.618 30.3-163.2 -82.8 144.9 22.7 56.0 13.1 20 20 A I E -A 8 0A 3 -12,-2.1 -12,-3.5 -2,-0.3 2,-0.4 -0.995 21.7-119.4-134.8 136.1 21.0 54.8 9.9 21 21 A N E +A 7 0A 42 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.560 43.2 171.2 -74.4 125.9 18.5 56.5 7.6 22 22 A T E -A 6 0A 1 -16,-2.1 -16,-2.9 -2,-0.4 2,-0.4 -0.707 28.5-128.8-130.4 170.3 15.3 54.3 7.5 23 23 A T E -AC 5 29A 0 6,-1.6 6,-3.1 -18,-0.2 2,-0.5 -1.000 19.3-141.7-129.9 131.3 11.8 54.6 6.1 24 24 A Y E +AC 4 28A 93 -20,-3.4 -20,-2.3 -2,-0.4 4,-0.2 -0.837 40.6 137.7-102.0 126.2 8.7 53.9 8.2 25 25 A S S S- 0 0 43 2,-2.5 2,-2.7 -2,-0.5 -2,-0.0 -0.615 94.9 -47.9-158.9 93.3 5.6 52.2 6.8 26 26 A T S S+ 0 0 110 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.385 140.2 38.3 68.4 -61.0 4.3 49.7 9.3 27 27 A Y S S- 0 0 113 -2,-2.7 -2,-2.5 -4,-0.1 2,-0.7 -0.731 93.8-110.6-102.9 163.7 7.9 48.4 9.6 28 28 A Y E -CD 24 57A 60 29,-3.0 29,-2.3 -2,-0.3 2,-0.3 -0.866 40.1-159.6 -92.6 116.9 11.2 50.4 9.6 29 29 A Y E -CD 23 56A 43 -6,-3.1 2,-2.1 -2,-0.7 -6,-1.6 -0.713 28.3-113.2 -97.2 146.2 13.0 49.6 6.3 30 30 A L S S+ 0 0 0 25,-2.1 11,-2.2 11,-0.3 2,-0.4 -0.538 72.4 129.5 -69.7 78.7 16.6 50.0 5.5 31 31 A Q E -E 40 0B 10 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.942 44.8-159.2-145.3 108.7 15.9 52.7 3.0 32 32 A D E > -E 39 0B 5 7,-2.7 7,-1.6 -2,-0.4 3,-0.5 -0.863 9.9-179.5 -92.5 110.3 17.8 56.0 3.1 33 33 A N T 3 S+ 0 0 59 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.528 70.6 77.3 -87.6 -4.9 15.7 58.7 1.3 34 34 A T T 3 S+ 0 0 86 1,-0.1 2,-0.6 5,-0.1 -1,-0.2 0.619 83.9 66.2 -80.0 -13.2 18.3 61.4 1.9 35 35 A R S X S- 0 0 49 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.899 110.7 -69.6-121.1 104.8 20.8 60.3 -0.8 36 36 A G T 3 S- 0 0 28 -2,-0.6 62,-0.1 1,-0.3 3,-0.1 -0.265 112.4 -15.1 55.1-133.2 19.8 60.6 -4.4 37 37 A N T 3 S- 0 0 110 60,-2.1 -1,-0.3 1,-0.3 62,-0.2 0.247 121.2 -87.0 -86.7 8.2 17.1 58.1 -5.5 38 38 A G < - 0 0 1 -3,-2.3 62,-2.4 60,-0.2 2,-0.5 -0.066 27.0-101.8 114.0 159.6 17.8 56.3 -2.3 39 39 A I E -Ef 32 100B 0 -7,-1.6 -7,-2.7 60,-0.2 2,-0.4 -0.993 36.2-171.3-120.3 124.3 19.9 53.6 -0.6 40 40 A F E -Ef 31 101B 19 60,-3.0 62,-2.2 -2,-0.5 2,-0.4 -0.966 6.0-165.8-124.6 124.3 18.2 50.3 -0.2 41 41 A T E - f 0 102B 0 -11,-2.2 14,-2.6 -2,-0.4 -11,-0.3 -0.964 12.4-168.3-117.0 135.2 19.6 47.3 1.9 42 42 A Y E -Gf 54 103B 24 60,-3.0 62,-2.4 -2,-0.4 2,-0.6 -0.787 21.9-123.4-124.2 159.4 18.1 43.8 1.6 43 43 A D E -Gf 53 104B 15 10,-2.9 10,-2.0 -2,-0.3 62,-0.2 -0.918 12.7-172.2-106.9 118.4 18.2 40.5 3.3 44 44 A A > - 0 0 3 60,-2.7 3,-2.7 -2,-0.6 5,-0.3 0.481 31.6-141.9 -85.7 -5.0 19.2 37.5 1.1 45 45 A K T 3 - 0 0 115 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.741 63.4 -56.6 52.9 38.7 18.4 35.2 4.1 46 46 A Y T 3 S+ 0 0 105 59,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.531 117.2 109.6 68.4 13.7 21.3 32.8 3.5 47 47 A R S < S- 0 0 175 -3,-2.7 60,-2.1 58,-0.3 -1,-0.3 -0.512 72.7-129.4-106.5 177.0 20.0 32.2 -0.1 48 48 A T S S+ 0 0 79 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.336 70.2 114.2-110.8 7.1 21.5 33.2 -3.4 49 49 A T - 0 0 93 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.666 69.0-103.0 -78.3 131.2 18.3 34.7 -4.8 50 50 A L S S- 0 0 54 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.900 81.9 -3.4-123.4 146.9 18.8 38.5 -5.3 51 51 A P S S- 0 0 47 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.983 82.6-168.2 -75.6 -14.3 18.0 41.1 -4.1 52 52 A G - 0 0 36 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.712 48.7 -24.5 91.1-154.1 16.0 39.2 -1.5 53 53 A S E -G 43 0B 46 -10,-2.0 -10,-2.9 -2,-0.3 -8,-0.1 -0.779 68.3-104.5-104.6 136.4 13.6 41.2 0.7 54 54 A L E -G 42 0B 31 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.369 56.0 -96.3 -52.7 129.3 14.0 44.9 1.6 55 55 A W - 0 0 9 -14,-2.6 -25,-2.1 -25,-0.3 2,-0.4 -0.315 48.5-169.2 -65.8 120.2 15.3 44.9 5.1 56 56 A A E -D 29 0A 47 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.897 8.5-177.3-114.9 136.2 12.4 45.3 7.6 57 57 A D E -D 28 0A 22 -29,-2.3 -29,-3.0 -2,-0.4 3,-0.1 -0.993 22.8-144.7-135.7 133.4 12.7 45.9 11.3 58 58 A A S S+ 0 0 74 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.794 95.5 21.0 -68.1 -28.5 9.9 46.2 13.9 59 59 A D S S- 0 0 90 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.400 97.3-113.2-129.9 3.6 11.4 48.9 16.2 60 60 A N S S+ 0 0 20 1,-0.2 -51,-1.5 -32,-0.2 2,-0.4 0.691 81.1 115.4 70.1 19.4 14.1 50.8 14.2 61 61 A Q E -b 9 0A 99 -53,-0.2 2,-0.3 -33,-0.1 -2,-0.3 -0.986 45.4-169.3-121.3 132.9 16.9 49.5 16.5 62 62 A F E +b 10 0A 0 -53,-3.2 -51,-1.9 -2,-0.4 9,-0.1 -0.523 41.8 122.9-125.6 58.9 19.4 47.2 14.8 63 63 A F + 0 0 54 -2,-0.3 2,-0.2 -53,-0.3 -1,-0.1 0.303 39.6 109.7-107.4 5.0 21.5 45.7 17.6 64 64 A A S >> S- 0 0 49 -3,-0.2 4,-1.3 1,-0.1 3,-0.5 -0.509 77.8-119.9 -75.3 150.1 21.0 42.0 16.9 65 65 A S G >4 S+ 0 0 114 1,-0.2 3,-0.6 2,-0.2 -1,-0.1 0.909 117.3 55.5 -52.4 -43.0 24.0 40.0 15.6 66 66 A Y G 34 S+ 0 0 76 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.795 105.1 53.9 -60.8 -32.9 21.9 39.2 12.5 67 67 A D G X> S+ 0 0 18 -3,-0.5 4,-2.1 1,-0.2 3,-1.2 0.806 86.5 85.2 -67.8 -33.9 21.4 43.0 12.0 68 68 A A H S+ 0 0 3 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.838 113.6 50.1 -60.6 -34.7 26.0 43.2 8.3 70 70 A A H <> S+ 0 0 0 -3,-1.2 4,-2.7 -4,-0.4 5,-0.3 0.903 106.8 54.8 -70.0 -45.5 22.9 45.1 7.1 71 71 A V H X S+ 0 0 0 -4,-2.1 4,-2.8 -60,-0.3 -1,-0.2 0.917 114.7 40.4 -51.5 -48.0 23.8 48.1 9.4 72 72 A D H X S+ 0 0 0 -4,-1.9 4,-3.1 2,-0.2 5,-0.4 0.904 112.5 51.4 -74.7 -44.8 27.2 48.4 7.8 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.933 117.7 42.8 -53.3 -44.6 26.3 47.6 4.2 74 74 A H H X S+ 0 0 7 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.972 118.5 42.7 -67.6 -56.9 23.6 50.4 4.5 75 75 A Y H X S+ 0 0 94 -4,-2.8 4,-2.0 -5,-0.3 3,-0.3 0.937 116.1 46.7 -56.5 -53.0 25.8 52.9 6.4 76 76 A Y H X S+ 0 0 25 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.823 106.6 57.4 -67.4 -32.2 29.0 52.4 4.3 77 77 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.4 -1,-0.2 0.914 109.8 48.6 -54.7 -40.2 27.0 52.6 1.0 78 78 A G H X S+ 0 0 3 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.893 110.0 48.4 -70.2 -43.9 26.0 56.1 2.3 79 79 A V H X S+ 0 0 18 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.901 112.5 49.9 -60.5 -44.2 29.5 57.1 3.3 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.882 109.4 51.3 -61.1 -41.6 30.7 56.0 -0.2 81 81 A Y H X S+ 0 0 12 -4,-2.3 4,-2.3 2,-0.2 11,-0.3 0.936 110.2 49.8 -58.0 -47.8 27.9 58.0 -1.8 82 82 A D H X S+ 0 0 37 -4,-2.3 4,-3.4 1,-0.2 5,-0.4 0.880 108.1 54.9 -59.8 -40.6 29.0 61.1 0.2 83 83 A Y H X>S+ 0 0 9 -4,-2.1 4,-3.0 2,-0.2 5,-0.7 0.965 110.3 42.6 -59.5 -53.4 32.6 60.6 -0.9 84 84 A Y H X5S+ 0 0 4 -4,-2.1 6,-2.7 3,-0.2 4,-1.2 0.886 120.0 44.8 -65.1 -38.6 31.8 60.6 -4.6 85 85 A K H X5S+ 0 0 87 -4,-2.3 4,-1.1 4,-0.3 -2,-0.2 0.960 121.7 34.8 -64.8 -56.9 29.4 63.6 -4.1 86 86 A N H <5S+ 0 0 101 -4,-3.4 -2,-0.2 -5,-0.2 -3,-0.2 0.844 129.2 33.9 -72.1 -35.4 31.5 65.8 -1.8 87 87 A V H <5S+ 0 0 56 -4,-3.0 -3,-0.2 -5,-0.4 -2,-0.2 0.862 136.4 16.1 -89.8 -39.5 34.9 64.9 -3.3 88 88 A H H < - 0 0 54 -2,-0.5 6,-2.4 4,-0.2 4,-0.6 -0.827 63.8 -45.2 -96.7 102.4 25.9 61.8 -7.8 92 92 A S T >4 S- 0 0 4 -2,-0.9 3,-0.8 -11,-0.3 7,-0.1 0.012 94.2 -53.5 58.1-171.9 25.8 58.0 -7.1 93 93 A Y T 34 S+ 0 0 25 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.792 138.6 43.6 -71.7 -30.7 27.5 55.5 -9.3 94 94 A D T 34 S- 0 0 45 -3,-0.2 -1,-0.2 56,-0.1 -2,-0.2 0.428 109.2-116.5 -88.4 -3.0 25.9 56.6 -12.7 95 95 A G S << S+ 0 0 35 -3,-0.8 -4,-0.2 -4,-0.6 -3,-0.2 0.484 102.5 83.3 77.3 4.6 26.3 60.3 -12.0 96 96 A N S S- 0 0 124 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.002 112.2 -94.9-130.0 30.9 22.5 60.6 -12.0 97 97 A N - 0 0 38 -6,-2.4 -60,-2.1 1,-0.2 -5,-0.2 0.716 54.8-174.2 61.3 24.4 21.5 59.6 -8.4 98 98 A A - 0 0 13 -7,-0.5 -5,-0.3 -62,-0.1 -60,-0.2 -0.160 35.7 -98.8 -42.5 135.6 20.8 55.9 -9.2 99 99 A A - 0 0 13 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.388 35.8-136.9 -58.1 136.7 19.3 54.0 -6.3 100 100 A I E -f 39 0B 1 -62,-2.4 -60,-3.0 -3,-0.1 2,-0.4 -0.909 23.2-169.7-104.3 121.8 22.1 52.0 -4.5 101 101 A R E +f 40 0B 93 -2,-0.6 19,-2.5 17,-0.3 2,-0.3 -0.935 8.2 177.2-119.9 132.9 21.0 48.5 -3.6 102 102 A S E -fh 41 120B 0 -62,-2.2 -60,-3.0 -2,-0.4 2,-0.4 -0.982 12.2-158.5-131.9 142.6 22.9 46.0 -1.3 103 103 A S E -fh 42 121B 0 17,-2.0 19,-2.3 -2,-0.3 3,-0.2 -0.981 11.2-169.0-120.0 137.2 22.0 42.5 -0.1 104 104 A V E +f 43 0B 1 -62,-2.4 -60,-2.7 -2,-0.4 -59,-0.3 -0.635 64.2 44.9-114.1 177.6 23.6 40.9 3.0 105 105 A H E S+ 0 0 7 17,-0.2 -59,-2.7 1,-0.2 2,-0.5 0.874 74.5 178.5 51.2 38.9 23.5 37.3 4.4 106 106 A Y E - h 0 123B 38 16,-2.2 18,-0.5 -3,-0.2 4,-0.5 -0.638 51.1 -34.8 -71.8 119.2 24.2 36.1 0.8 107 107 A S S S- 0 0 34 -60,-2.1 2,-0.4 -2,-0.5 -60,-0.1 -0.086 93.6 -58.2 62.6-162.3 24.4 32.3 0.8 108 108 A Q S S- 0 0 157 1,-0.1 3,-0.2 15,-0.1 18,-0.1 -0.980 111.3 -12.8-121.2 129.1 26.0 30.3 3.7 109 109 A G S S+ 0 0 40 -2,-0.4 2,-0.7 16,-0.3 17,-0.3 0.803 83.9 176.8 53.5 35.6 29.5 30.8 4.9 110 110 A Y - 0 0 69 -4,-0.5 15,-1.7 15,-0.3 2,-1.1 -0.616 21.2-159.2 -82.1 111.0 30.2 32.9 1.7 111 111 A N + 0 0 33 -2,-0.7 2,-0.3 -3,-0.2 -1,-0.1 -0.200 63.0 51.0 -85.9 43.4 33.8 34.3 1.9 112 112 A N - 0 0 22 -2,-1.1 11,-2.6 206,-0.1 2,-0.3 -0.953 57.1-147.8-160.0 177.9 33.3 37.1 -0.7 113 113 A A E +I 122 0B 1 -2,-0.3 206,-0.3 9,-0.2 2,-0.3 -0.925 22.5 175.0-147.3 166.2 31.3 40.1 -1.8 114 114 A F E -I 121 0B 50 7,-2.2 7,-2.3 -2,-0.3 2,-0.5 -0.988 38.3-115.6-166.8 157.2 30.6 41.5 -5.3 115 115 A W E -I 120 0B 28 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.939 28.7-164.6 -91.8 125.4 28.9 44.0 -7.6 116 116 A N - 0 0 69 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.284 53.2 -90.0 -97.1 12.0 26.6 41.8 -9.8 117 117 A G S S+ 0 0 48 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.065 125.4 40.7 98.0 -17.8 25.9 44.4 -12.6 118 118 A S S S- 0 0 82 1,-0.4 2,-0.3 -17,-0.0 -17,-0.3 0.505 120.7 -8.5-136.6 -22.5 22.9 45.7 -10.6 119 119 A Q - 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0 0 74 -2,-0.4 -9,-0.3 -9,-0.2 53,-0.1 -0.784 28.6-127.8 -86.0 121.2 57.8 62.4 -4.8 257 257 A G - 0 0 33 -2,-0.6 -12,-0.2 -11,-0.4 -11,-0.2 -0.358 23.4-173.7 -70.8 143.6 54.4 62.0 -3.1 258 258 A I - 0 0 26 -14,-2.7 4,-0.3 1,-0.2 -13,-0.2 0.396 46.1-107.9-118.5 -2.2 51.6 64.4 -4.0 259 259 A G > - 0 0 25 -14,-2.3 4,-2.0 -15,-0.4 -1,-0.2 -0.033 29.8 -75.8 97.9 163.3 49.0 63.2 -1.5 260 260 A R H > S+ 0 0 88 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.819 121.8 54.6 -65.9 -39.3 45.7 61.3 -1.5 261 261 A D H > S+ 0 0 123 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.899 112.0 43.7 -67.0 -39.6 43.4 64.1 -2.7 262 262 A K H > S+ 0 0 73 -4,-0.3 4,-2.5 2,-0.2 5,-0.2 0.895 112.1 54.0 -70.6 -38.7 45.5 64.8 -5.8 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.961 111.6 46.1 -55.4 -51.4 45.8 61.0 -6.4 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.913 112.4 49.5 -56.7 -47.3 42.0 60.8 -6.3 265 265 A K H X S+ 0 0 101 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.910 114.3 45.1 -59.8 -43.1 41.6 63.8 -8.6 266 266 A I H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.902 118.2 41.2 -71.2 -45.5 44.0 62.5 -11.2 267 267 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 -5,-0.2 -2,-0.2 0.866 113.5 53.5 -73.9 -34.1 42.6 58.9 -11.2 268 268 A Y H X S+ 0 0 30 -4,-3.1 4,-2.3 -5,-0.3 -2,-0.2 0.927 112.4 45.3 -63.4 -43.6 39.0 60.1 -11.1 269 269 A R H X S+ 0 0 80 -4,-2.2 4,-2.3 -5,-0.3 5,-0.5 0.912 112.8 50.0 -63.3 -45.7 39.8 62.3 -14.2 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.7 3,-0.2 4,-1.8 0.924 113.5 47.9 -54.9 -43.7 41.6 59.4 -15.9 271 271 A L H <5S+ 0 0 1 -4,-2.5 -118,-0.3 1,-0.2 -2,-0.2 0.898 120.2 34.5 -67.1 -44.3 38.7 57.1 -15.2 272 272 A T H <5S+ 0 0 41 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.650 130.8 28.1 -88.0 -18.0 35.9 59.5 -16.4 273 273 A Q H <5S+ 0 0 118 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.683 128.9 16.8-114.9 -25.3 37.8 61.2 -19.3 274 274 A Y T <5S+ 0 0 84 -4,-1.8 -3,-0.2 -5,-0.5 -4,-0.1 0.724 90.3 92.3-128.8 -34.4 40.4 58.9 -20.8 275 275 A L < - 0 0 11 -5,-2.7 9,-0.0 4,-0.1 -120,-0.0 -0.393 50.7-168.8 -73.5 147.6 40.1 55.2 -19.9 276 276 A T > - 0 0 64 -2,-0.1 3,-1.4 -122,-0.1 -120,-0.1 -0.739 41.3 -89.5-128.1 170.1 38.1 53.0 -22.3 277 277 A P T 3 S+ 0 0 59 0, 0.0 -121,-2.9 0, 0.0 -123,-0.1 0.831 126.8 37.1 -54.1 -31.9 36.8 49.4 -22.0 278 278 A T T 3 S+ 0 0 106 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.232 81.4 143.8-108.8 15.7 40.1 47.9 -23.5 279 279 A S < - 0 0 5 -3,-1.4 -115,-0.2 -126,-0.1 2,-0.1 -0.255 34.1-155.1 -53.9 130.8 42.7 50.3 -21.9 280 280 A N > - 0 0 59 -120,-0.1 4,-2.4 -116,-0.1 5,-0.1 -0.434 34.1 -90.5 -99.9-177.1 45.9 48.6 -21.0 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.898 127.6 51.6 -59.2 -46.3 48.5 49.6 -18.3 282 282 A S H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 111.6 46.9 -58.0 -41.5 50.5 51.7 -20.8 283 283 A Q H > S+ 0 0 94 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.823 108.7 55.7 -72.3 -34.3 47.3 53.5 -21.8 284 284 A L H X S+ 0 0 0 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.926 105.2 52.4 -60.2 -44.5 46.5 54.0 -18.1 285 285 A R H X S+ 0 0 29 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.949 111.7 46.1 -54.4 -50.6 49.9 55.7 -17.7 286 286 A A H X S+ 0 0 61 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.894 112.2 51.1 -57.3 -44.0 49.0 58.0 -20.6 287 287 A A H X S+ 0 0 6 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.931 113.1 44.6 -60.3 -46.0 45.6 58.7 -19.2 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.911 113.6 50.2 -68.0 -41.3 47.0 59.5 -15.7 289 289 A V H X S+ 0 0 23 -4,-2.9 4,-2.0 -5,-0.2 -2,-0.2 0.926 113.9 45.1 -63.0 -44.3 49.8 61.7 -17.2 290 290 A Q H X S+ 0 0 83 -4,-2.7 4,-2.9 2,-0.2 -2,-0.2 0.891 111.4 53.6 -65.1 -40.2 47.2 63.6 -19.4 291 291 A S H X S+ 0 0 0 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.924 110.9 44.8 -59.0 -49.8 44.8 63.9 -16.4 292 292 A A H X>S+ 0 0 0 -4,-2.6 4,-3.2 2,-0.2 5,-0.8 0.862 112.5 54.0 -61.4 -36.5 47.6 65.5 -14.2 293 293 A T H X5S+ 0 0 35 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.928 108.9 48.0 -61.2 -48.3 48.5 67.7 -17.2 294 294 A D H <5S+ 0 0 60 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.886 122.0 36.1 -57.5 -42.8 44.9 68.9 -17.5 295 295 A L H <5S+ 0 0 66 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.822 135.8 11.7 -83.6 -35.4 44.8 69.6 -13.7 296 296 A Y H <5S- 0 0 63 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.1 0.625 107.6 -94.8-125.3 -19.5 48.2 70.9 -12.8 297 297 A G ><< - 0 0 28 -4,-1.2 3,-2.5 -5,-0.8 6,-0.4 0.078 34.0 -89.5 107.0 139.4 50.1 71.7 -16.0 298 298 A S T 3 S+ 0 0 81 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.737 126.7 46.1 -52.0 -30.1 52.6 69.7 -18.1 299 299 A T T 3 S+ 0 0 138 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.345 89.3 121.2 -97.5 8.8 55.5 71.0 -16.1 300 300 A S S <> S- 0 0 17 -3,-2.5 4,-1.9 1,-0.1 3,-0.2 -0.260 74.4-120.3 -72.4 155.0 54.0 70.4 -12.6 301 301 A Q H > S+ 0 0 94 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.849 114.2 63.5 -53.0 -38.3 55.4 68.3 -9.9 302 302 A E H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.914 103.9 43.4 -59.7 -46.5 52.2 66.3 -10.1 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.3 -11,-0.2 -1,-0.2 0.918 114.0 52.3 -61.7 -44.6 52.9 65.2 -13.7 304 304 A A H X S+ 0 0 35 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.909 110.5 47.9 -58.9 -45.1 56.5 64.4 -12.8 305 305 A S H X S+ 0 0 0 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.875 108.8 52.6 -65.8 -41.8 55.4 62.3 -9.9 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.943 112.2 47.0 -56.9 -46.2 52.8 60.4 -12.0 307 307 A K H X S+ 0 0 90 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.908 111.4 50.5 -61.6 -45.1 55.6 59.6 -14.5 308 308 A Q H X S+ 0 0 49 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.895 109.3 51.8 -55.9 -47.0 58.1 58.5 -11.7 309 309 A A H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.923 112.0 44.1 -61.9 -47.5 55.4 56.2 -10.2 310 310 A F H <>S+ 0 0 0 -4,-2.1 5,-2.9 2,-0.2 3,-0.3 0.914 113.5 52.1 -65.0 -39.7 54.7 54.4 -13.5 311 311 A D H ><5S+ 0 0 51 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.952 105.9 56.1 -53.7 -48.7 58.5 54.2 -14.1 312 312 A A H 3<5S+ 0 0 1 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.775 110.3 43.2 -58.5 -31.4 59.0 52.7 -10.7 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-3.2 -3,-0.3 -1,-0.3 0.277 119.2-110.7 -98.3 12.9 56.5 49.8 -11.5 314 314 A G T < 5S+ 0 0 24 -3,-2.3 2,-0.6 -98,-0.2 -3,-0.2 0.757 70.6 140.8 65.5 29.2 58.0 49.4 -15.0 315 315 A V < 0 0 4 -5,-2.9 -1,-0.2 1,-0.1 -2,-0.2 -0.917 360.0 360.0-105.9 112.2 55.0 50.7 -16.9 316 316 A K 0 0 163 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.556 360.0 360.0-109.2 360.0 56.0 52.9 -19.9 317 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 318 1001 A L 0 0 8 0, 0.0 -204,-0.1 0, 0.0 -206,-0.1 0.000 360.0 360.0 360.0 -41.0 36.4 41.6 -3.5 319 1002 A W 0 0 141 -206,-0.3 -206,-0.1 -117,-0.0 -93,-0.0 -0.869 360.0 360.0-141.6 360.0 38.8 38.8 -4.5