==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 01-AUG-11 3T8D . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR A.BIELA,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12676.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 228 72.2 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 10.8 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 . 21 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 106 33.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.8 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 1 0 0 0 0 0 0 1 1 1 1 1 0 0 0 0 1 1 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 87 0, 0.0 2,-0.5 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0 161.6 38.2 -28.6 0.5 2 2 A T + 0 0 133 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.737 360.0 102.6 -85.6 127.5 40.3 -25.6 -0.4 3 3 A G - 0 0 42 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.949 68.6 -64.7-175.7-166.0 40.0 -24.4 -4.0 4 4 A T E -A 24 0A 88 20,-1.9 20,-3.0 -2,-0.3 2,-0.2 -0.849 49.4-108.3-109.4 142.5 38.5 -21.8 -6.2 5 5 A S E +A 23 0A 69 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.479 46.0 170.9 -70.4 132.7 34.7 -21.4 -6.8 6 6 A T E -A 22 0A 31 16,-2.7 16,-2.4 -2,-0.2 2,-0.5 -0.772 31.1-122.7-134.9 172.4 33.6 -22.5 -10.2 7 7 A V E -A 21 0A 89 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.962 27.6-176.1-127.8 112.9 30.3 -23.1 -12.1 8 8 A G E -A 20 0A 2 12,-2.8 12,-2.2 -2,-0.5 2,-0.3 -0.426 13.0-141.2 -94.6 177.1 29.6 -26.5 -13.6 9 9 A V E +Ab 19 61A 34 51,-1.7 53,-3.1 10,-0.3 2,-0.3 -0.989 30.8 136.7-141.0 146.2 26.7 -27.6 -15.7 10 10 A G E -Ab 18 62A 0 8,-2.1 8,-2.5 -2,-0.3 2,-0.4 -0.934 44.9 -87.5-166.4-169.4 24.7 -30.8 -15.8 11 11 A R E -A 17 0A 97 51,-2.1 60,-0.3 -2,-0.3 6,-0.2 -0.959 32.6-140.8-121.7 136.4 21.3 -32.5 -16.0 12 12 A G > - 0 0 3 4,-2.6 3,-2.0 -2,-0.4 56,-0.2 -0.195 40.7 -82.5 -85.4-176.9 19.1 -33.4 -13.1 13 13 A V T 3 S+ 0 0 30 55,-0.6 55,-0.1 1,-0.3 122,-0.1 0.809 129.1 49.7 -56.8 -35.6 17.0 -36.5 -12.5 14 14 A L T 3 S- 0 0 93 54,-0.1 -1,-0.3 121,-0.1 178,-0.0 0.379 122.5-102.3 -89.8 5.2 14.1 -35.3 -14.7 15 15 A G S < S+ 0 0 36 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.561 74.2 141.4 91.4 8.8 16.4 -34.4 -17.6 16 16 A D - 0 0 60 1,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.653 48.5-126.7 -88.3 139.6 16.6 -30.7 -17.0 17 17 A Q E +A 11 0A 121 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.637 36.8 163.6 -85.1 138.0 19.8 -28.7 -17.5 18 18 A K E -A 10 0A 15 -8,-2.5 -8,-2.1 -2,-0.3 2,-0.3 -0.995 36.0-116.2-150.7 155.5 21.1 -26.5 -14.7 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.3 -0.698 31.1-163.5 -87.7 144.8 24.2 -24.7 -13.5 20 20 A I E -A 8 0A 3 -12,-2.2 -12,-2.8 -2,-0.3 2,-0.5 -0.987 22.0-117.6-132.1 144.0 25.8 -25.8 -10.2 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.676 44.4 169.3 -80.5 121.7 28.3 -24.2 -7.9 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.7 -2,-0.5 2,-0.4 -0.672 29.8-126.7-124.6 177.4 31.4 -26.3 -7.7 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.0 -18,-0.2 2,-0.5 -0.998 18.8-144.1-131.1 130.8 35.0 -26.0 -6.3 24 24 A Y E +AC 4 28A 96 -20,-3.0 -20,-1.9 -2,-0.4 4,-0.2 -0.842 40.0 135.6-101.9 125.4 38.1 -26.6 -8.4 25 25 A S S S- 0 0 50 2,-2.9 2,-2.6 -2,-0.5 -2,-0.0 -0.574 95.8 -46.4-160.7 94.9 41.2 -28.2 -6.9 26 26 A T S S+ 0 0 109 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.393 140.5 36.9 69.3 -59.4 42.6 -30.9 -9.3 27 27 A Y S S- 0 0 114 -2,-2.6 -2,-2.9 -4,-0.1 2,-0.6 -0.680 92.7-111.4-105.0 166.9 39.0 -32.1 -9.6 28 28 A Y E -CD 24 57A 57 29,-3.0 29,-2.2 -2,-0.2 2,-0.3 -0.917 39.9-161.0 -97.3 120.7 35.8 -30.2 -9.7 29 29 A Y E -CD 23 56A 48 -6,-3.0 2,-2.2 -2,-0.6 -6,-1.9 -0.770 29.4-113.7-106.2 148.2 33.9 -30.9 -6.5 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.4 11,-0.3 2,-0.4 -0.560 72.4 129.3 -76.3 79.2 30.2 -30.5 -5.6 31 31 A Q E -E 40 0B 9 -2,-2.2 2,-0.7 9,-0.2 9,-0.2 -0.947 44.4-159.6-140.7 111.5 31.0 -27.8 -3.1 32 32 A D E > +E 39 0B 2 7,-2.7 7,-1.4 -2,-0.4 3,-0.5 -0.866 11.6 178.9 -99.0 108.6 29.1 -24.6 -3.3 33 33 A N T 3 + 0 0 56 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.424 66.9 81.0 -88.6 -0.3 31.0 -21.8 -1.6 34 34 A T T 3 S+ 0 0 84 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.564 85.5 62.0 -85.2 -8.9 28.4 -19.1 -2.4 35 35 A R S X S- 0 0 48 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.952 111.8 -62.7-127.3 113.9 26.0 -20.0 0.4 36 36 A G T 3 S- 0 0 29 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.184 112.1 -21.0 54.9-135.8 26.9 -19.8 4.1 37 37 A N T 3 S- 0 0 113 60,-1.3 -1,-0.3 1,-0.3 62,-0.2 0.080 119.1 -76.2 -95.0 24.0 29.7 -22.1 5.0 38 38 A G < - 0 0 2 -3,-2.3 62,-2.4 60,-0.1 2,-0.4 0.027 29.5-112.5 108.7 152.6 29.1 -24.3 2.0 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.7 60,-0.2 2,-0.4 -0.997 35.6-168.9-118.5 126.2 26.8 -26.9 0.5 40 40 A F E -Ef 31 101B 20 60,-3.2 62,-2.1 -2,-0.4 2,-0.4 -0.968 7.5-162.6-125.2 128.8 28.6 -30.2 0.0 41 41 A T E - f 0 102B 0 -11,-2.4 14,-2.8 -2,-0.4 -11,-0.3 -0.948 11.7-164.9-119.8 133.2 27.3 -33.2 -1.9 42 42 A Y E -Gf 54 103B 26 60,-3.0 62,-2.4 -2,-0.4 2,-0.6 -0.797 20.3-127.0-119.2 153.1 28.7 -36.7 -1.5 43 43 A D E -Gf 53 104B 23 10,-2.9 10,-2.1 -2,-0.3 62,-0.2 -0.897 14.6-173.9 -99.0 116.0 28.6 -40.1 -3.3 44 44 A A > - 0 0 3 60,-2.8 3,-2.3 -2,-0.6 5,-0.3 0.507 30.7-140.8 -85.7 -6.6 27.5 -43.0 -1.1 45 45 A K T 3 - 0 0 106 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.778 62.0 -59.1 58.1 35.5 28.3 -45.4 -4.0 46 46 A Y T 3 S+ 0 0 110 59,-2.5 -1,-0.3 1,-0.3 60,-0.2 0.508 116.9 106.4 70.7 7.6 25.3 -47.7 -3.3 47 47 A R S < S- 0 0 171 -3,-2.3 60,-2.3 58,-0.3 -1,-0.3 -0.462 73.7-125.1-108.6-176.5 26.5 -48.4 0.2 48 48 A T + 0 0 80 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.295 69.4 112.4-117.8 7.8 25.3 -47.2 3.6 49 49 A T S S- 0 0 96 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.700 70.3-101.5 -82.0 130.6 28.4 -45.7 5.1 50 50 A L S S- 0 0 54 -2,-0.4 -2,-0.1 1,-0.2 71,-0.0 -0.878 82.0 -3.1-118.6 147.2 28.0 -42.0 5.4 51 51 A P S S- 0 0 44 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.993 81.0-169.0 -83.4 -11.6 28.7 -39.5 4.2 52 52 A G - 0 0 32 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.745 48.2 -21.5 93.1-149.4 30.8 -41.3 1.6 53 53 A S E -G 43 0B 51 -10,-2.1 -10,-2.9 -2,-0.3 -8,-0.1 -0.829 66.6-107.2-106.1 135.3 33.1 -39.3 -0.7 54 54 A L E -G 42 0B 33 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.348 55.1 -96.8 -55.4 131.0 32.8 -35.6 -1.6 55 55 A W - 0 0 10 -14,-2.8 -25,-2.0 -25,-0.3 2,-0.4 -0.336 48.9-171.3 -66.0 119.5 31.6 -35.7 -5.2 56 56 A A E -D 29 0A 47 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.912 7.7-179.4-115.5 138.5 34.5 -35.3 -7.6 57 57 A D E -D 28 0A 23 -29,-2.2 -29,-3.0 -2,-0.4 3,-0.1 -0.999 24.4-143.3-140.8 136.1 34.3 -34.8 -11.3 58 58 A A S S+ 0 0 75 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.822 95.0 22.2 -68.9 -33.5 37.1 -34.4 -13.9 59 59 A D S S- 0 0 87 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.395 95.8-114.3-124.5 2.8 35.6 -31.8 -16.2 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.7 -32,-0.2 2,-0.5 0.657 80.7 118.4 71.1 15.0 32.9 -29.8 -14.4 61 61 A Q E -b 9 0A 106 -53,-0.2 -2,-0.3 -51,-0.0 2,-0.3 -0.967 43.4-172.1-114.3 129.3 30.2 -31.3 -16.7 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.1 -2,-0.5 9,-0.1 -0.483 40.8 121.7-124.3 61.9 27.5 -33.4 -15.0 63 63 A F + 0 0 71 -53,-0.3 -1,-0.1 -2,-0.3 2,-0.1 0.353 39.9 110.9-105.7 1.3 25.5 -35.0 -17.7 64 64 A A S >> S- 0 0 49 -3,-0.2 4,-1.0 1,-0.1 3,-1.0 -0.476 76.7-120.7 -76.0 150.1 26.0 -38.7 -16.9 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.905 116.0 55.4 -56.5 -39.4 23.0 -40.7 -15.6 66 66 A Y G 34 S+ 0 0 63 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.776 104.4 55.6 -63.7 -26.3 24.9 -41.4 -12.4 67 67 A D G X> S+ 0 0 17 -3,-1.0 4,-2.3 1,-0.2 3,-0.8 0.760 85.5 84.3 -75.0 -27.3 25.5 -37.7 -11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.865 113.7 50.1 -65.7 -30.4 20.8 -37.3 -8.4 70 70 A A H <> S+ 0 0 0 -3,-0.8 4,-2.4 -4,-0.4 5,-0.3 0.917 107.3 53.6 -69.3 -44.5 23.9 -35.4 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -60,-0.3 5,-0.2 0.936 114.3 42.0 -53.1 -48.4 23.1 -32.4 -9.5 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.4 0.897 112.1 51.5 -73.5 -41.2 19.6 -32.2 -8.0 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.927 116.5 43.2 -57.4 -43.0 20.5 -32.7 -4.4 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.6 2,-0.2 -2,-0.2 0.946 118.1 43.1 -69.0 -50.2 23.2 -30.0 -4.7 75 75 A Y H X S+ 0 0 96 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.924 115.2 47.1 -66.9 -46.1 21.0 -27.6 -6.6 76 76 A Y H X S+ 0 0 28 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.819 106.6 58.1 -71.3 -27.7 17.8 -28.0 -4.6 77 77 A A H X S+ 0 0 0 -4,-1.5 4,-2.5 -5,-0.4 -1,-0.2 0.914 107.2 50.6 -61.3 -40.3 19.8 -27.6 -1.4 78 78 A G H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.918 109.4 48.5 -59.8 -46.2 20.8 -24.3 -2.8 79 79 A V H X S+ 0 0 15 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.913 112.2 49.3 -62.1 -41.2 17.2 -23.3 -3.6 80 80 A T H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.915 109.4 51.2 -66.6 -42.2 16.2 -24.3 -0.1 81 81 A Y H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 11,-0.3 0.932 110.5 50.6 -55.7 -45.9 19.0 -22.3 1.5 82 82 A D H X S+ 0 0 38 -4,-2.4 4,-3.3 1,-0.2 5,-0.4 0.903 108.0 52.4 -62.0 -43.5 17.9 -19.3 -0.6 83 83 A Y H X>S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 5,-0.8 0.964 112.1 44.3 -56.1 -54.1 14.3 -19.7 0.6 84 84 A Y H X5S+ 0 0 4 -4,-2.4 6,-2.4 3,-0.2 4,-1.2 0.909 119.8 42.3 -60.8 -40.5 15.2 -19.7 4.3 85 85 A K H X5S+ 0 0 91 -4,-2.5 4,-1.1 4,-0.3 -2,-0.2 0.952 122.0 36.7 -70.1 -50.5 17.6 -16.8 3.9 86 86 A N H <5S+ 0 0 99 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.859 128.0 32.5 -75.2 -36.6 15.6 -14.6 1.6 87 87 A V H <5S+ 0 0 53 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.865 135.8 19.2 -90.7 -39.2 12.1 -15.3 3.0 88 88 A H H < - 0 0 54 -2,-0.5 6,-2.6 4,-0.3 4,-0.5 -0.788 62.9 -46.1 -95.3 101.0 21.1 -18.6 7.6 92 92 A S T >4 S- 0 0 6 -2,-0.9 3,-0.7 -11,-0.3 7,-0.1 -0.033 92.6 -54.2 61.0-172.6 21.1 -22.4 7.0 93 93 A Y T 34 S+ 0 0 18 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.795 138.9 43.2 -73.3 -26.7 19.5 -24.9 9.3 94 94 A D T 34 S- 0 0 48 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.2 0.462 108.8-117.3 -95.0 -2.6 21.1 -23.8 12.5 95 95 A G S << S+ 0 0 33 -3,-0.7 -4,-0.3 -4,-0.5 -3,-0.2 0.470 102.6 80.3 79.1 1.1 20.7 -20.1 11.8 96 96 A N S S- 0 0 124 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 -0.058 113.7 -95.4-129.8 31.7 24.5 -19.7 11.8 97 97 A N - 0 0 34 -6,-2.6 -60,-1.3 1,-0.2 -5,-0.2 0.797 53.8-172.4 62.3 33.4 25.3 -20.9 8.3 98 98 A A - 0 0 19 -7,-0.5 -5,-0.3 1,-0.1 -1,-0.2 -0.259 36.1 -95.0 -51.3 140.9 26.1 -24.5 9.2 99 99 A A - 0 0 18 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.355 37.5-136.7 -56.0 135.0 27.6 -26.5 6.2 100 100 A I E -f 39 0B 1 -62,-2.4 -60,-3.2 -3,-0.1 2,-0.4 -0.890 23.5-171.0-102.4 119.6 24.8 -28.4 4.5 101 101 A R E +f 40 0B 87 -2,-0.6 19,-2.8 17,-0.3 2,-0.4 -0.925 7.9 177.3-117.0 136.6 25.8 -31.9 3.5 102 102 A S E -fh 41 120B 0 -62,-2.1 -60,-3.0 -2,-0.4 2,-0.4 -0.991 12.8-157.0-133.1 142.3 23.9 -34.5 1.4 103 103 A S E -fh 42 121B 0 17,-2.2 19,-2.5 -2,-0.4 3,-0.2 -0.977 12.3-170.4-116.9 136.7 24.7 -38.0 0.2 104 104 A V E +f 43 0B 0 -62,-2.4 -60,-2.8 -2,-0.4 -59,-0.3 -0.682 64.0 44.2-116.7 173.2 23.1 -39.5 -2.9 105 105 A H E S+ 0 0 7 17,-0.3 -59,-2.5 -2,-0.2 2,-0.5 0.874 75.5 176.9 55.4 40.2 23.2 -43.1 -4.2 106 106 A Y E - 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0 0 72 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.801 28.4-128.9 -87.2 118.4 -10.9 -17.6 4.4 257 257 A G - 0 0 32 -2,-0.7 -12,-0.2 -11,-0.3 -11,-0.2 -0.370 23.2-173.9 -70.4 143.9 -7.5 -18.1 2.7 258 258 A I - 0 0 25 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.383 45.9-105.6-118.0 -0.1 -4.7 -15.6 3.4 259 259 A G > - 0 0 25 -14,-2.3 4,-2.0 -15,-0.4 -1,-0.2 0.034 30.0 -78.7 95.6 161.0 -2.1 -16.9 1.0 260 260 A R H > S+ 0 0 78 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.848 120.3 57.7 -68.3 -37.5 1.1 -18.8 1.1 261 261 A D H > S+ 0 0 140 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.940 110.9 42.8 -62.2 -46.5 3.4 -16.0 2.2 262 262 A K H > S+ 0 0 77 -4,-0.4 4,-2.7 2,-0.2 5,-0.2 0.887 111.4 55.4 -67.4 -37.6 1.4 -15.4 5.4 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.950 110.3 47.3 -54.3 -49.0 1.1 -19.2 6.0 264 264 A G H X S+ 0 0 3 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.892 111.9 48.6 -62.3 -41.4 4.9 -19.4 5.8 265 265 A K H X S+ 0 0 86 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.921 113.5 47.4 -65.4 -43.1 5.4 -16.4 8.2 266 266 A I H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.951 117.0 41.3 -65.5 -48.4 2.9 -17.8 10.7 267 267 A F H X S+ 0 0 0 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.862 112.7 53.8 -71.1 -33.1 4.3 -21.3 10.7 268 268 A Y H X S+ 0 0 32 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.938 111.7 46.1 -64.6 -43.0 7.9 -20.2 10.7 269 269 A R H X>S+ 0 0 83 -4,-2.3 4,-2.1 -5,-0.2 5,-0.5 0.917 112.9 49.7 -64.6 -42.5 7.3 -18.0 13.7 270 270 A A H X>S+ 0 0 0 -4,-2.3 5,-2.8 1,-0.2 4,-1.8 0.944 112.3 48.4 -59.4 -46.9 5.4 -20.8 15.5 271 271 A L H <5S+ 0 0 1 -4,-2.7 -118,-0.4 1,-0.2 -1,-0.2 0.867 121.3 34.0 -60.8 -39.7 8.2 -23.3 14.8 272 272 A T H <5S+ 0 0 38 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.610 130.2 25.9 -98.7 -13.7 11.0 -21.0 16.0 273 273 A Q H <5S+ 0 0 123 -4,-2.1 -3,-0.2 -5,-0.2 -2,-0.2 0.589 129.4 19.7-122.6 -21.0 9.3 -19.0 18.9 274 274 A Y T < - 0 0 62 -122,-0.1 3,-1.5 -120,-0.0 -120,-0.1 -0.771 40.7 -88.7-130.2 176.1 8.6 -27.2 21.9 277 277 A P T 3 S+ 0 0 61 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.805 126.0 39.6 -60.8 -26.5 9.8 -30.8 21.7 278 278 A T T 3 S+ 0 0 96 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.268 79.9 143.4-107.7 12.2 6.6 -32.1 23.2 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.236 32.5-157.8 -54.9 134.1 4.0 -29.8 21.5 280 280 A N > - 0 0 62 -120,-0.1 4,-2.1 -119,-0.1 5,-0.2 -0.447 37.0 -88.6-100.5-179.0 0.7 -31.6 20.6 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.891 127.3 51.5 -59.7 -42.0 -1.9 -30.5 18.0 282 282 A S H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.888 110.5 49.8 -62.1 -38.3 -3.8 -28.3 20.5 283 283 A Q H > S+ 0 0 94 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.843 107.3 54.0 -71.4 -32.8 -0.5 -26.6 21.4 284 284 A L H X S+ 0 0 0 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.914 106.1 53.1 -63.3 -43.1 0.3 -26.0 17.7 285 285 A R H X S+ 0 0 33 -4,-2.2 4,-2.6 1,-0.2 -2,-0.2 0.950 111.2 46.4 -56.3 -47.3 -3.1 -24.3 17.3 286 286 A A H X S+ 0 0 60 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.897 112.5 50.1 -62.5 -40.8 -2.2 -22.0 20.2 287 287 A A H X S+ 0 0 8 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.902 112.2 47.0 -64.9 -41.5 1.3 -21.4 18.8 288 288 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.896 112.1 50.1 -67.7 -41.8 -0.1 -20.5 15.3 289 289 A V H X S+ 0 0 28 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.931 113.7 45.7 -61.0 -44.2 -2.8 -18.2 16.8 290 290 A Q H X S+ 0 0 84 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.906 112.0 51.5 -67.0 -39.6 -0.2 -16.4 18.9 291 291 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.939 111.2 46.8 -62.5 -46.8 2.2 -16.2 15.9 292 292 A A H X>S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.6 0.854 111.3 53.3 -62.4 -35.6 -0.6 -14.7 13.7 293 293 A T H X5S+ 0 0 37 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.927 108.8 48.7 -64.7 -45.1 -1.4 -12.3 16.6 294 294 A D H <5S+ 0 0 61 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.904 119.9 37.7 -57.7 -44.8 2.2 -11.1 16.8 295 295 A L H <5S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.846 135.7 12.3 -80.6 -35.4 2.4 -10.6 13.1 296 296 A Y H <5S- 0 0 70 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.511 106.6 -98.2-127.4 -11.4 -1.0 -9.2 12.2 297 297 A G ><< - 0 0 29 -4,-1.8 3,-1.8 -5,-0.6 6,-0.4 0.104 33.6 -87.1 100.9 148.0 -2.8 -8.2 15.3 298 298 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.765 125.7 47.6 -60.6 -28.8 -5.5 -9.9 17.5 299 299 A T T 3 S+ 0 0 139 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.316 89.8 123.5 -95.6 9.1 -8.4 -8.6 15.4 300 300 A S S <> S- 0 0 15 -3,-1.8 4,-2.0 1,-0.1 5,-0.1 -0.248 71.7-125.1 -74.9 156.5 -6.9 -9.5 12.1 301 301 A Q H > S+ 0 0 92 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.855 112.2 62.0 -59.5 -36.4 -8.3 -11.7 9.3 302 302 A E H > S+ 0 0 23 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.928 105.0 44.0 -60.0 -47.7 -5.1 -13.7 9.6 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.927 113.4 51.8 -61.5 -44.6 -5.8 -14.7 13.2 304 304 A A H X S+ 0 0 38 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.897 109.8 49.9 -59.7 -40.7 -9.5 -15.4 12.4 305 305 A S H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.863 106.3 54.4 -68.8 -38.0 -8.4 -17.7 9.5 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.942 111.2 46.4 -59.7 -45.4 -6.0 -19.7 11.7 307 307 A K H X S+ 0 0 91 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.921 111.8 50.9 -62.6 -44.7 -8.8 -20.4 14.1 308 308 A Q H X S+ 0 0 54 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.904 109.8 50.8 -57.7 -44.9 -11.2 -21.3 11.3 309 309 A A H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.922 112.2 44.4 -64.2 -45.7 -8.6 -23.8 9.8 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.2 0.894 112.8 53.0 -67.7 -36.0 -7.9 -25.6 13.1 311 311 A D H ><5S+ 0 0 54 -4,-2.5 3,-1.8 -5,-0.2 -2,-0.2 0.938 105.6 55.6 -57.1 -46.6 -11.7 -25.7 13.8 312 312 A A H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.821 110.2 44.0 -59.3 -34.3 -12.2 -27.2 10.4 313 313 A V T 3<5S- 0 0 0 -4,-1.4 -96,-2.9 -3,-0.2 -1,-0.3 0.287 118.8-108.7 -96.2 10.7 -9.8 -30.1 11.2 314 314 A G T < 5S+ 0 0 23 -3,-1.8 2,-0.6 -4,-0.2 -3,-0.2 0.701 72.0 137.3 77.8 21.0 -11.2 -30.6 14.7 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 -6,-0.1 -2,-0.1 -0.900 360.0 360.0-105.7 116.1 -8.3 -29.3 16.7 316 316 A K 0 0 165 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.571 360.0 360.0-105.6 360.0 -9.2 -27.1 19.6