==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JAN-09 3FV4 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR L.ENGLERT,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) . 12619.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 227 71.8 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 . 20 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 105 33.2 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 83 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 154.9 -38.2 28.6 0.3 2 2 A T + 0 0 121 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.685 360.0 99.5 -80.7 130.2 -40.4 25.6 -0.4 3 3 A G - 0 0 49 -2,-0.4 2,-0.4 22,-0.0 22,-0.2 -0.967 69.1 -61.0 177.8-163.5 -40.1 24.3 -3.9 4 4 A T E -A 24 0A 91 20,-2.0 20,-3.1 -2,-0.3 2,-0.3 -0.860 49.5-109.2-112.7 144.3 -38.5 21.8 -6.3 5 5 A S E +A 23 0A 69 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.532 44.8 170.1 -73.7 136.3 -34.8 21.4 -6.9 6 6 A T E -A 22 0A 31 16,-2.5 16,-2.3 -2,-0.3 2,-0.5 -0.745 31.2-122.0-134.5 176.3 -33.6 22.5 -10.3 7 7 A V E -A 21 0A 89 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.971 27.5-175.7-129.7 117.6 -30.4 23.1 -12.1 8 8 A G E -A 20 0A 2 12,-2.9 12,-2.4 -2,-0.5 2,-0.3 -0.510 13.6-139.6-102.1 176.0 -29.6 26.5 -13.6 9 9 A V E +Ab 19 61A 26 51,-1.6 53,-3.3 10,-0.3 2,-0.3 -0.984 31.4 140.0-135.2 144.8 -26.7 27.6 -15.8 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.4 -2,-0.3 2,-0.4 -0.917 44.0 -95.5-162.5-170.4 -24.7 30.9 -15.7 11 11 A R E -A 17 0A 100 51,-2.0 60,-0.2 -2,-0.3 6,-0.2 -0.978 32.1-141.6-124.3 134.3 -21.3 32.5 -16.0 12 12 A G > - 0 0 4 4,-2.6 3,-1.7 -2,-0.4 56,-0.2 -0.090 40.2 -78.6 -84.6-169.5 -19.1 33.5 -13.0 13 13 A V T 3 S+ 0 0 30 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.830 128.6 48.0 -62.1 -33.6 -16.9 36.6 -12.5 14 14 A L T 3 S- 0 0 95 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.335 122.5-101.1 -95.0 9.0 -14.1 35.4 -14.6 15 15 A G S < S+ 0 0 37 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.544 74.5 141.3 89.0 7.0 -16.4 34.5 -17.5 16 16 A D - 0 0 59 1,-0.0 -4,-2.6 -5,-0.0 2,-0.3 -0.615 48.6-126.7 -84.0 140.6 -16.5 30.7 -17.0 17 17 A Q E +A 11 0A 120 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.674 36.6 165.1 -86.0 136.6 -19.8 28.7 -17.5 18 18 A K E -A 10 0A 15 -8,-2.4 -8,-2.2 -2,-0.3 2,-0.3 -0.995 35.7-118.3-147.4 154.6 -21.1 26.5 -14.6 19 19 A N E -A 9 0A 104 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.666 31.5-163.4 -80.9 146.6 -24.2 24.7 -13.5 20 20 A I E -A 8 0A 3 -12,-2.4 -12,-2.9 -2,-0.3 2,-0.5 -0.983 22.3-115.7-134.5 148.1 -25.7 25.8 -10.2 21 21 A N E +A 7 0A 41 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.690 44.7 170.3 -83.3 122.4 -28.3 24.2 -7.9 22 22 A T E -A 6 0A 1 -16,-2.3 -16,-2.5 -2,-0.5 2,-0.4 -0.671 28.8-128.0-124.0 176.9 -31.5 26.3 -7.7 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.1 -18,-0.2 2,-0.5 -1.000 17.9-142.0-128.9 133.4 -35.0 26.0 -6.3 24 24 A Y E +AC 4 28A 97 -20,-3.1 -20,-2.0 -2,-0.4 4,-0.2 -0.866 40.1 137.5-105.2 127.7 -38.2 26.6 -8.3 25 25 A S S S- 0 0 35 2,-2.9 2,-2.7 -2,-0.5 -2,-0.0 -0.628 94.6 -49.8-161.3 89.5 -41.2 28.3 -6.8 26 26 A T S S+ 0 0 114 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.329 140.2 38.7 63.9 -54.8 -42.6 30.9 -9.3 27 27 A Y S S- 0 0 113 -2,-2.7 -2,-2.9 -4,-0.1 2,-0.6 -0.716 93.9-111.5-105.8 165.6 -39.1 32.2 -9.6 28 28 A Y E -CD 24 57A 56 29,-3.0 29,-2.1 -2,-0.2 2,-0.3 -0.908 40.5-161.1 -94.6 121.5 -35.8 30.2 -9.7 29 29 A Y E -CD 23 56A 47 -6,-3.1 2,-2.3 -2,-0.6 -6,-1.9 -0.798 29.3-113.8-107.4 148.8 -33.9 30.9 -6.5 30 30 A L S S+ 0 0 0 25,-2.0 11,-2.3 11,-0.3 2,-0.4 -0.563 72.1 129.5 -76.3 79.6 -30.2 30.5 -5.6 31 31 A Q E -E 40 0B 9 -2,-2.3 2,-0.7 9,-0.2 9,-0.2 -0.947 44.6-159.3-138.6 112.1 -31.0 27.8 -3.1 32 32 A D E > +E 39 0B 2 7,-2.8 7,-1.5 -2,-0.4 3,-0.5 -0.871 12.4 177.8 -94.5 109.3 -29.1 24.6 -3.3 33 33 A N T 3 + 0 0 57 -2,-0.7 -1,-0.1 -11,-0.3 5,-0.1 0.423 66.2 81.1 -90.8 0.6 -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 0.516 86.3 60.3 -84.4 -6.1 -28.4 19.1 -2.5 35 35 A R S X S- 0 0 46 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.959 111.9 -59.1-128.6 115.4 -26.0 20.0 0.3 36 36 A G T 3 S- 0 0 29 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.234 111.5 -23.7 59.5-137.6 -26.9 19.9 4.0 37 37 A N T 3 S- 0 0 112 60,-1.2 -1,-0.3 1,-0.3 62,-0.2 0.043 119.3 -72.3-100.6 25.9 -29.8 22.1 5.0 38 38 A G < - 0 0 1 -3,-2.3 62,-2.6 60,-0.1 2,-0.4 0.026 30.1-114.9 112.5 150.1 -29.1 24.3 2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.8 60,-0.2 2,-0.4 -0.997 36.1-171.3-116.3 126.1 -26.8 26.9 0.4 40 40 A F E -Ef 31 101B 20 60,-3.0 62,-2.0 -2,-0.4 2,-0.4 -0.989 8.5-162.8-124.5 129.7 -28.6 30.2 0.0 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.7 -2,-0.4 -11,-0.3 -0.944 11.6-163.0-120.1 135.5 -27.3 33.2 -1.9 42 42 A Y E -Gf 54 103B 26 60,-3.0 62,-2.3 -2,-0.4 2,-0.6 -0.796 19.5-126.8-118.0 152.3 -28.7 36.7 -1.4 43 43 A D E -Gf 53 104B 23 10,-2.8 10,-2.0 -2,-0.3 62,-0.2 -0.905 15.9-175.7 -96.1 115.4 -28.7 40.1 -3.2 44 44 A A > - 0 0 5 60,-2.8 3,-2.4 -2,-0.6 5,-0.3 0.535 30.6-141.8 -89.0 -4.4 -27.6 43.0 -1.0 45 45 A K T 3 - 0 0 105 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.773 61.9 -58.4 55.4 37.3 -28.3 45.4 -3.9 46 46 A Y T 3 S+ 0 0 101 59,-2.5 -1,-0.3 1,-0.3 60,-0.2 0.459 117.0 104.5 71.4 8.5 -25.3 47.7 -3.3 47 47 A R S < S- 0 0 179 -3,-2.4 60,-2.2 58,-0.2 -1,-0.3 -0.439 74.5-123.7-108.5-174.7 -26.5 48.4 0.3 48 48 A T S S+ 0 0 80 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.306 70.3 112.7-119.4 10.3 -25.3 47.2 3.7 49 49 A T - 0 0 103 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.688 69.2-102.8 -77.4 131.1 -28.5 45.7 5.1 50 50 A L S S- 0 0 48 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.907 81.6 -1.2-125.5 148.8 -28.1 41.9 5.4 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.994 80.9-167.5 -82.9 -9.1 -28.8 39.4 4.2 52 52 A G - 0 0 32 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.755 48.8 -24.8 96.2-153.0 -30.8 41.3 1.6 53 53 A S E -G 43 0B 51 -10,-2.0 -10,-2.8 -2,-0.3 -8,-0.1 -0.843 66.5-105.6-104.1 138.0 -33.2 39.3 -0.7 54 54 A L E -G 42 0B 37 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.383 55.7 -96.9 -55.1 131.8 -32.9 35.6 -1.6 55 55 A W - 0 0 10 -14,-2.7 -25,-2.0 -25,-0.3 2,-0.4 -0.377 49.1-171.3 -65.1 121.6 -31.6 35.7 -5.2 56 56 A A E -D 29 0A 46 -2,-0.2 2,-0.4 -27,-0.2 -27,-0.2 -0.917 7.7-179.8-116.1 137.1 -34.6 35.3 -7.6 57 57 A D E -D 28 0A 22 -29,-2.1 -29,-3.0 -2,-0.4 5,-0.1 -0.997 24.7-142.0-139.8 138.6 -34.4 34.8 -11.3 58 58 A A S S+ 0 0 76 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.807 94.6 21.9 -74.6 -29.6 -37.1 34.4 -13.8 59 59 A D S S- 0 0 94 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.392 95.9-113.4-125.5 7.6 -35.6 31.8 -16.2 60 60 A N S S+ 0 0 14 1,-0.2 -51,-1.6 -32,-0.2 2,-0.4 0.667 80.9 118.0 70.5 17.8 -32.9 29.9 -14.3 61 61 A Q E -b 9 0A 79 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.982 43.5-171.7-117.7 127.2 -30.2 31.4 -16.7 62 62 A F E +b 10 0A 0 -53,-3.3 -51,-2.0 -2,-0.4 9,-0.1 -0.521 41.2 121.3-123.7 62.1 -27.6 33.5 -15.0 63 63 A F + 0 0 80 -2,-0.3 -1,-0.2 -53,-0.3 2,-0.1 0.287 40.1 112.3-106.9 3.8 -25.5 35.1 -17.7 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-1.0 1,-0.1 4,-1.0 -0.431 75.7-121.4 -75.8 151.6 -26.1 38.8 -16.8 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-0.8 2,-0.2 -1,-0.1 0.908 115.8 55.1 -58.1 -37.5 -23.1 40.8 -15.6 66 66 A Y G 34 S+ 0 0 66 1,-0.2 4,-0.4 2,-0.1 -1,-0.3 0.743 104.6 56.2 -66.1 -24.7 -25.0 41.5 -12.4 67 67 A D G X> S+ 0 0 16 -3,-1.0 4,-2.3 1,-0.2 3,-0.6 0.721 84.7 82.8 -79.0 -24.0 -25.5 37.8 -11.9 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.874 113.8 48.4 -60.0 -31.5 -20.8 37.4 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.4 5,-0.3 0.919 107.0 55.2 -71.9 -42.8 -23.9 35.4 -7.1 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.8 -60,-0.2 5,-0.2 0.941 114.1 40.8 -52.8 -48.9 -23.1 32.5 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.4 0.887 112.1 52.8 -75.1 -37.3 -19.7 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 0.917 116.1 42.8 -58.1 -41.1 -20.6 32.8 -4.3 74 74 A H H X S+ 0 0 3 -4,-2.5 4,-1.5 2,-0.2 -2,-0.2 0.947 118.1 43.0 -73.1 -46.7 -23.2 30.0 -4.7 75 75 A Y H X S+ 0 0 96 -4,-2.8 4,-2.0 -5,-0.3 -2,-0.2 0.914 114.7 48.3 -68.4 -44.5 -21.1 27.6 -6.6 76 76 A Y H X S+ 0 0 26 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.808 106.6 57.1 -71.6 -27.1 -17.9 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 0.900 107.1 50.7 -60.8 -40.3 -19.8 27.6 -1.3 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.934 110.0 48.7 -61.7 -47.1 -20.9 24.2 -2.8 79 79 A V H X S+ 0 0 13 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.923 112.4 48.4 -58.8 -41.9 -17.3 23.3 -3.6 80 80 A T H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.916 109.5 52.6 -69.3 -39.7 -16.2 24.3 -0.0 81 81 A Y H X S+ 0 0 12 -4,-2.5 4,-2.5 1,-0.2 11,-0.2 0.932 110.0 49.5 -50.8 -54.0 -19.0 22.3 1.5 82 82 A D H X S+ 0 0 40 -4,-2.4 4,-2.8 2,-0.2 5,-0.4 0.870 108.1 53.5 -59.9 -39.1 -17.9 19.3 -0.5 83 83 A Y H X>S+ 0 0 11 -4,-2.3 4,-2.7 1,-0.2 5,-0.7 0.973 112.0 42.9 -59.7 -54.6 -14.3 19.7 0.6 84 84 A Y H X5S+ 0 0 5 -4,-2.5 6,-2.4 3,-0.2 4,-1.3 0.927 119.9 43.3 -62.9 -37.9 -15.1 19.7 4.3 85 85 A K H X5S+ 0 0 89 -4,-2.5 4,-1.0 4,-0.3 -2,-0.2 0.962 122.3 35.8 -68.6 -50.3 -17.6 16.8 3.9 86 86 A N H <5S+ 0 0 98 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.824 128.2 33.3 -76.7 -33.1 -15.6 14.6 1.7 87 87 A V H <5S+ 0 0 53 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.846 135.8 18.2 -95.4 -38.1 -12.2 15.3 3.0 88 88 A H H < S- 0 0 5 -2,-0.9 3,-0.9 -11,-0.2 7,-0.1 0.035 93.1 -54.0 54.6-169.5 -21.2 22.4 7.0 93 93 A Y T 3 S+ 0 0 18 5,-0.3 58,-0.2 1,-0.3 -1,-0.2 0.783 138.5 43.4 -75.0 -24.9 -19.5 24.9 9.3 94 94 A D T 3 S- 0 0 48 -3,-0.2 -1,-0.3 4,-0.1 -2,-0.2 0.422 109.3-115.6 -99.1 1.9 -21.1 23.8 12.5 95 95 A G S < S+ 0 0 33 -3,-0.9 -4,-0.3 -4,-0.5 -3,-0.2 0.513 103.4 78.7 79.3 0.9 -20.7 20.0 11.9 96 96 A N S S- 0 0 123 -5,-0.3 -4,-0.2 -6,-0.1 -3,-0.1 -0.051 113.1 -96.2-136.0 32.5 -24.5 19.6 11.8 97 97 A N - 0 0 34 -6,-2.4 -60,-1.2 1,-0.2 -5,-0.2 0.799 52.9-173.1 60.8 34.9 -25.3 20.9 8.3 98 98 A A - 0 0 20 -7,-0.5 -5,-0.3 1,-0.1 -1,-0.2 -0.289 36.9 -94.8 -53.5 139.4 -26.2 24.4 9.2 99 99 A A - 0 0 17 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.309 37.4-135.7 -56.0 139.4 -27.6 26.4 6.2 100 100 A I E -f 39 0B 1 -62,-2.6 -60,-3.0 -3,-0.1 2,-0.4 -0.891 23.5-171.1-105.5 123.0 -24.9 28.3 4.5 101 101 A R E +f 40 0B 93 -2,-0.6 19,-2.6 17,-0.3 2,-0.4 -0.936 7.4 177.9-120.6 138.3 -25.9 31.9 3.6 102 102 A S E -fh 41 120B 0 -62,-2.0 -60,-3.0 -2,-0.4 2,-0.4 -0.997 12.1-157.6-133.7 140.2 -24.0 34.4 1.4 103 103 A S E -fh 42 121B 0 17,-2.2 19,-2.5 -2,-0.4 3,-0.2 -0.958 12.4-170.7-115.5 139.5 -24.8 37.9 0.3 104 104 A V E +f 43 0B 0 -62,-2.3 -60,-2.8 -2,-0.4 -59,-0.4 -0.684 63.0 44.9-119.3 176.6 -23.2 39.6 -2.8 105 105 A H E S+ 0 0 7 17,-0.3 -59,-2.5 -2,-0.2 2,-0.4 0.893 75.7 176.6 53.1 40.2 -23.2 43.1 -4.2 106 106 A Y E - h 0 123B 32 16,-2.0 18,-0.6 -3,-0.2 4,-0.4 -0.644 49.0 -33.6 -74.4 127.5 -22.6 44.4 -0.6 107 107 A S S S- 0 0 30 -60,-2.2 2,-0.4 -2,-0.4 -61,-0.1 -0.066 92.6 -61.2 60.1-162.8 -22.1 48.1 -0.4 108 108 A Q S S- 0 0 155 1,-0.1 3,-0.2 15,-0.1 18,-0.1 -0.989 109.0 -10.2-123.6 128.6 -20.5 50.1 -3.2 109 109 A G S S+ 0 0 40 -2,-0.4 2,-0.6 16,-0.4 17,-0.3 0.801 85.9 178.4 62.9 28.8 -16.9 49.7 -4.5 110 110 A Y - 0 0 71 -4,-0.4 15,-1.7 15,-0.4 2,-1.4 -0.565 21.6-161.7 -86.0 113.1 -16.3 47.4 -1.5 111 111 A N + 0 0 54 -2,-0.6 2,-0.3 -3,-0.2 -1,-0.1 -0.360 61.6 51.4 -91.4 55.3 -12.8 46.0 -1.4 112 112 A N - 0 0 89 -2,-1.4 11,-2.3 2,-0.0 2,-0.3 -0.989 56.4-147.2-169.7 175.9 -13.4 43.1 1.0 113 113 A A E +I 122 0B 4 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.960 25.2 169.1-148.5 156.7 -15.3 40.1 2.1 114 114 A F E -I 121 0B 56 7,-2.2 7,-2.3 -2,-0.3 2,-0.5 -0.990 39.1-113.3-163.9 166.2 -16.1 38.8 5.6 115 115 A W E -I 120 0B 25 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.964 25.9-161.4-105.7 121.5 -18.0 36.4 7.8 116 116 A N - 0 0 68 3,-2.4 4,-0.1 -2,-0.5 -1,-0.1 0.278 55.3 -86.6 -94.9 15.2 -20.3 38.6 10.0 117 117 A G S S+ 0 0 43 2,-0.3 3,-0.1 0, 0.0 -2,-0.0 0.050 125.1 34.5 104.6 -20.9 -21.0 35.9 12.7 118 118 A S S S+ 0 0 84 1,-0.4 -17,-0.3 -17,-0.0 2,-0.3 0.527 120.1 10.2-139.7 -19.9 -23.9 34.4 10.7 119 119 A Q S S- 0 0 12 -19,-0.1 -3,-2.4 -16,-0.0 -1,-0.4 -0.963 71.8 -96.8-159.0 163.2 -23.2 34.6 7.0 120 120 A M E -hI 102 115B 0 -19,-2.6 -17,-2.2 -2,-0.3 2,-0.4 -0.684 34.5-164.0 -89.1 148.1 -20.6 35.3 4.3 121 121 A V E -hI 103 114B 0 -7,-2.3 -7,-2.2 -2,-0.3 2,-0.4 -1.000 2.5-166.3-137.0 127.7 -20.6 38.8 2.7 122 122 A Y E - 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0 0 71 -2,-0.4 -9,-0.2 -9,-0.2 53,-0.1 -0.800 28.9-128.6 -87.2 116.1 11.0 17.6 4.3 257 257 A G - 0 0 33 -2,-0.7 -12,-0.2 -11,-0.3 -11,-0.2 -0.423 24.2-174.7 -66.5 140.9 7.6 18.2 2.6 258 258 A I - 0 0 25 -14,-2.8 4,-0.4 1,-0.2 -13,-0.2 0.362 45.5-105.4-113.1 0.6 4.8 15.7 3.3 259 259 A G > - 0 0 26 -14,-2.3 4,-2.0 -15,-0.4 -1,-0.2 0.059 29.4 -81.9 93.2 157.0 2.1 17.0 0.9 260 260 A R H > S+ 0 0 89 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.835 119.2 59.6 -72.4 -31.8 -1.1 19.0 1.1 261 261 A D H > S+ 0 0 115 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.930 110.4 42.9 -62.1 -43.3 -3.4 16.1 2.1 262 262 A K H > S+ 0 0 77 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.890 111.4 54.4 -73.2 -37.1 -1.4 15.5 5.3 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 5,-0.3 0.955 110.6 48.7 -50.8 -49.4 -1.0 19.2 6.0 264 264 A G H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.903 111.3 47.6 -61.9 -41.7 -4.8 19.4 5.8 265 265 A K H X S+ 0 0 92 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.927 114.2 47.8 -63.5 -44.1 -5.4 16.4 8.1 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.968 116.1 41.2 -64.9 -46.2 -2.9 17.8 10.6 267 267 A F H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 -1,-0.2 0.850 112.4 55.0 -73.2 -29.3 -4.2 21.3 10.7 268 268 A Y H X S+ 0 0 32 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.934 111.0 46.1 -64.8 -44.8 -7.9 20.2 10.7 269 269 A R H X>S+ 0 0 81 -4,-2.3 4,-2.4 -5,-0.2 5,-0.6 0.901 112.8 50.4 -62.0 -41.9 -7.2 18.0 13.7 270 270 A A H X>S+ 0 0 0 -4,-2.1 5,-2.8 -5,-0.3 4,-1.8 0.963 111.7 47.6 -62.1 -45.2 -5.4 20.8 15.4 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.3 1,-0.2 -1,-0.2 0.864 121.6 34.5 -62.1 -37.1 -8.2 23.3 14.8 272 272 A T H <5S+ 0 0 38 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.665 129.7 26.3 -99.9 -16.5 -10.9 20.9 16.0 273 273 A Q H <5S+ 0 0 119 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.2 0.606 129.6 19.2-119.8 -22.0 -9.3 19.0 18.9 274 274 A Y T < - 0 0 61 -2,-0.1 3,-1.5 -122,-0.1 -120,-0.1 -0.735 41.3 -87.3-126.0 173.9 -8.6 27.2 22.0 277 277 A P T 3 S+ 0 0 62 0, 0.0 -121,-2.6 0, 0.0 -123,-0.1 0.815 126.1 40.7 -55.1 -27.5 -9.8 30.8 21.7 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.1 -125,-0.1 -118,-0.1 0.313 79.2 141.5-107.8 11.4 -6.5 32.1 23.2 279 279 A S < - 0 0 4 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.255 33.3-158.2 -55.4 138.5 -3.9 29.8 21.5 280 280 A N > - 0 0 61 -120,-0.1 4,-2.2 -119,-0.1 5,-0.2 -0.486 37.1 -88.1-105.7-178.8 -0.7 31.6 20.6 281 281 A F H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.891 126.7 52.1 -60.0 -39.2 1.9 30.5 18.0 282 282 A S H > S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.900 110.7 49.2 -65.5 -35.8 3.8 28.3 20.4 283 283 A Q H > S+ 0 0 95 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.857 107.4 54.7 -72.4 -29.6 0.6 26.6 21.4 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.910 105.3 53.5 -64.7 -41.5 -0.2 26.1 17.7 285 285 A R H X S+ 0 0 31 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.958 111.2 46.1 -57.9 -46.5 3.1 24.4 17.2 286 286 A A H X S+ 0 0 59 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.907 111.9 50.4 -60.9 -44.7 2.3 22.0 20.1 287 287 A A H X S+ 0 0 7 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.888 112.1 47.2 -61.3 -41.4 -1.2 21.3 18.8 288 288 A A H X S+ 0 0 0 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.881 111.7 50.5 -69.5 -36.8 0.2 20.5 15.3 289 289 A V H X S+ 0 0 26 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.927 113.6 45.3 -64.6 -41.9 2.9 18.2 16.8 290 290 A Q H X S+ 0 0 85 -4,-2.7 4,-2.6 -5,-0.2 -2,-0.2 0.912 112.4 51.6 -68.5 -36.6 0.3 16.4 18.8 291 291 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.930 111.7 46.0 -65.4 -46.0 -2.1 16.2 15.9 292 292 A A H X>S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.6 0.869 111.7 53.2 -62.3 -37.5 0.6 14.7 13.6 293 293 A T H X5S+ 0 0 35 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.959 109.2 48.3 -62.8 -46.3 1.5 12.4 16.4 294 294 A D H <5S+ 0 0 63 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 119.4 39.1 -55.3 -44.8 -2.1 11.1 16.7 295 295 A L H <5S+ 0 0 63 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.850 135.2 12.3 -79.3 -35.3 -2.3 10.6 13.0 296 296 A Y H <5S- 0 0 68 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.499 106.8 -98.3-130.7 -9.1 1.1 9.2 12.1 297 297 A G ><< - 0 0 30 -4,-2.2 3,-1.9 -5,-0.6 6,-0.4 0.139 34.9 -86.2 101.7 148.8 2.9 8.2 15.3 298 298 A S T 3 S+ 0 0 83 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.801 125.1 47.6 -62.7 -27.2 5.5 9.9 17.4 299 299 A T T 3 S+ 0 0 134 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.324 89.5 122.6 -96.4 10.6 8.5 8.6 15.3 300 300 A S S <> S- 0 0 16 -3,-1.9 4,-1.9 1,-0.1 5,-0.1 -0.278 72.6-123.6 -73.3 157.9 7.0 9.6 11.9 301 301 A Q H > S+ 0 0 88 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.833 111.7 62.8 -58.9 -36.7 8.4 11.8 9.2 302 302 A E H > S+ 0 0 24 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.927 104.7 44.6 -60.8 -46.2 5.2 13.8 9.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-2.1 -11,-0.2 -1,-0.2 0.932 113.2 51.0 -62.8 -42.8 5.9 14.8 13.1 304 304 A A H X S+ 0 0 40 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.922 109.5 50.6 -65.1 -35.5 9.5 15.6 12.3 305 305 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.877 106.4 54.4 -68.4 -38.4 8.5 17.8 9.4 306 306 A V H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 5,-0.2 0.940 110.4 47.1 -59.4 -43.2 6.1 19.7 11.5 307 307 A K H X S+ 0 0 90 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.924 112.0 50.2 -64.9 -40.3 8.8 20.5 14.0 308 308 A Q H X S+ 0 0 53 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.876 109.2 52.0 -62.6 -41.9 11.2 21.5 11.2 309 309 A A H X S+ 0 0 0 -4,-2.7 4,-1.3 2,-0.2 -1,-0.2 0.922 111.7 44.1 -64.0 -46.7 8.7 23.8 9.7 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.6 1,-0.2 4,-0.3 0.912 112.6 53.2 -70.6 -33.3 8.0 25.7 13.0 311 311 A D H ><5S+ 0 0 62 -4,-2.5 3,-1.5 -5,-0.2 -1,-0.2 0.917 104.7 57.1 -59.2 -40.4 11.7 25.8 13.7 312 312 A A H 3<5S+ 0 0 1 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.826 109.9 43.2 -62.2 -30.6 12.2 27.4 10.3 313 313 A V T 3<5S- 0 0 0 -4,-1.3 -96,-2.8 -3,-0.3 -1,-0.3 0.306 120.0-106.6-102.1 13.4 9.9 30.2 11.0 314 314 A G T < 5S+ 0 0 22 -3,-1.5 2,-0.6 -4,-0.3 -3,-0.2 0.720 73.1 135.7 84.1 19.3 11.2 30.8 14.5 315 315 A V < 0 0 4 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.895 360.0 360.0-109.7 116.6 8.3 29.3 16.6 316 316 A K 0 0 157 -2,-0.6 -1,-0.1 -5,-0.1 -5,-0.1 0.620 360.0 360.0-108.5 360.0 9.2 27.1 19.5