==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-NOV-08 3FB0 . COMPND 2 MOLECULE: THERMOLYSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS THERMOPROTEOLYTICUS; . AUTHOR L.ENGLERT,A.HEINE,G.KLEBE . 316 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12523.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 70.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 3.8 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 . 17 5.4 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 . 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 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 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 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 81 0, 0.0 2,-0.4 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 155.3 -38.2 28.6 0.3 2 2 A T + 0 0 133 21,-0.0 2,-0.3 23,-0.0 21,-0.0 -0.698 360.0 102.3 -81.1 131.5 -40.4 25.6 -0.4 3 3 A G - 0 0 43 -2,-0.4 2,-0.4 23,-0.0 22,-0.2 -0.973 68.6 -62.9-179.6-163.1 -40.0 24.4 -4.0 4 4 A T E -A 24 0A 90 20,-2.1 20,-3.3 -2,-0.3 2,-0.2 -0.871 48.8-110.9-111.8 144.0 -38.5 21.8 -6.3 5 5 A S E +A 23 0A 67 -2,-0.4 18,-0.2 18,-0.2 2,-0.2 -0.506 44.8 169.4 -72.7 136.5 -34.8 21.4 -6.8 6 6 A T E -A 22 0A 33 16,-2.5 16,-2.4 -2,-0.2 2,-0.5 -0.754 32.1-119.9-136.8 176.0 -33.6 22.4 -10.3 7 7 A V E -A 21 0A 88 -2,-0.2 14,-0.2 14,-0.2 2,-0.1 -0.976 28.8-176.0-128.5 118.0 -30.3 23.1 -12.1 8 8 A G E -A 20 0A 1 12,-3.0 12,-2.0 -2,-0.5 2,-0.3 -0.441 12.8-141.2-102.0 177.7 -29.6 26.5 -13.7 9 9 A V E +Ab 19 61A 20 51,-1.7 53,-3.1 10,-0.3 2,-0.3 -0.989 31.1 135.8-139.3 145.7 -26.6 27.7 -15.8 10 10 A G E -Ab 18 62A 0 8,-2.2 8,-2.5 -2,-0.3 2,-0.4 -0.935 45.5 -88.2-166.2-165.0 -24.7 30.9 -15.8 11 11 A R E -A 17 0A 95 51,-2.1 6,-0.2 -2,-0.3 60,-0.2 -0.982 32.5-139.8-126.8 129.6 -21.3 32.7 -16.0 12 12 A G > - 0 0 2 4,-2.6 3,-2.1 -2,-0.4 56,-0.2 -0.054 41.8 -80.6 -80.7-173.6 -19.1 33.6 -13.0 13 13 A V T 3 S+ 0 0 30 55,-0.5 122,-0.1 1,-0.3 55,-0.1 0.821 130.8 49.4 -58.8 -32.6 -17.0 36.7 -12.4 14 14 A L T 3 S- 0 0 88 54,-0.1 -1,-0.3 2,-0.1 -2,-0.0 0.344 121.3-104.7 -93.9 7.4 -14.2 35.4 -14.7 15 15 A G S < S+ 0 0 33 -3,-2.1 2,-0.3 1,-0.3 -2,-0.1 0.529 73.1 141.7 84.6 9.5 -16.6 34.6 -17.5 16 16 A D - 0 0 59 1,-0.0 -4,-2.6 -5,-0.0 2,-0.4 -0.629 49.1-125.9 -83.7 139.6 -16.5 30.8 -17.0 17 17 A Q E +A 11 0A 120 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.646 37.0 163.2 -85.2 136.0 -19.8 28.8 -17.5 18 18 A K E -A 10 0A 16 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.3 -0.989 36.2-117.2-146.5 158.3 -21.0 26.6 -14.7 19 19 A N E -A 9 0A 103 -2,-0.3 2,-0.3 -10,-0.2 -10,-0.3 -0.691 31.5-163.7 -85.7 148.4 -24.2 24.8 -13.6 20 20 A I E -A 8 0A 3 -12,-2.0 -12,-3.0 -2,-0.3 2,-0.5 -0.982 22.2-115.9-134.9 146.8 -25.7 25.8 -10.2 21 21 A N E +A 7 0A 42 -2,-0.3 -14,-0.2 -14,-0.2 2,-0.2 -0.682 44.5 170.1 -80.3 125.8 -28.3 24.2 -8.0 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.5 -2,-0.5 2,-0.4 -0.694 28.9-126.6-126.1 179.3 -31.4 26.3 -7.7 23 23 A T E -AC 5 29A 0 6,-1.9 6,-3.1 -18,-0.2 2,-0.6 -0.998 18.7-141.6-129.3 134.7 -35.0 26.0 -6.3 24 24 A Y E +AC 4 28A 97 -20,-3.3 -20,-2.1 -2,-0.4 4,-0.2 -0.860 40.4 136.3-108.4 128.2 -38.1 26.6 -8.3 25 25 A S S S- 0 0 49 2,-2.8 2,-2.6 -2,-0.6 -2,-0.0 -0.636 94.7 -49.1-160.7 88.8 -41.2 28.3 -6.9 26 26 A T S S+ 0 0 111 -2,-0.1 2,-0.2 32,-0.0 -2,-0.1 -0.394 140.1 37.5 69.7 -60.0 -42.6 30.9 -9.3 27 27 A Y S S- 0 0 113 -2,-2.6 -2,-2.8 -4,-0.1 2,-0.6 -0.674 94.3-111.1-103.2 165.0 -39.0 32.2 -9.6 28 28 A Y E -CD 24 57A 57 29,-3.0 29,-2.3 -2,-0.2 2,-0.3 -0.901 40.0-159.3 -95.5 121.4 -35.8 30.2 -9.7 29 29 A Y E -CD 23 56A 48 -6,-3.1 2,-2.1 -2,-0.6 -6,-1.9 -0.816 28.3-113.9-104.7 150.9 -33.9 30.9 -6.5 30 30 A L S S+ 0 0 0 25,-2.2 11,-2.3 11,-0.3 2,-0.4 -0.553 72.7 128.1 -75.4 82.2 -30.2 30.6 -5.6 31 31 A Q E -E 40 0B 9 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.940 44.8-159.9-142.1 112.2 -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 -0.873 11.4 178.9 -98.6 110.3 -29.1 24.6 -3.4 33 33 A N T 3 + 0 0 59 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.402 66.8 81.9 -92.1 3.6 -31.0 21.8 -1.6 34 34 A T T 3 S+ 0 0 81 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.551 85.8 59.7 -84.3 -9.5 -28.4 19.1 -2.5 35 35 A R S X S- 0 0 49 -3,-0.5 3,-2.3 4,-0.1 -1,-0.1 -0.928 111.4 -60.2-125.7 117.0 -26.0 20.0 0.3 36 36 A G T 3 S- 0 0 30 -2,-0.5 3,-0.1 1,-0.3 62,-0.1 -0.264 112.7 -20.8 60.2-140.0 -26.8 19.9 4.0 37 37 A N T 3 S- 0 0 109 60,-1.2 -1,-0.3 1,-0.3 62,-0.2 0.099 119.4 -81.1 -93.7 18.2 -29.7 22.2 5.1 38 38 A G < - 0 0 1 -3,-2.3 62,-2.4 60,-0.1 2,-0.5 -0.045 30.1-106.2 110.2 158.1 -29.0 24.2 2.0 39 39 A I E -Ef 32 100B 0 -7,-1.5 -7,-2.8 60,-0.2 2,-0.4 -1.000 36.1-169.2-119.9 126.5 -26.8 26.9 0.4 40 40 A F E -Ef 31 101B 22 60,-2.9 62,-2.2 -2,-0.5 2,-0.4 -0.983 6.6-164.7-122.8 125.5 -28.6 30.2 0.1 41 41 A T E - f 0 102B 0 -11,-2.3 14,-2.8 -2,-0.4 -11,-0.3 -0.944 11.6-165.3-116.9 135.1 -27.3 33.2 -1.9 42 42 A Y E -Gf 54 103B 27 60,-3.4 62,-2.3 -2,-0.4 2,-0.6 -0.800 20.7-126.2-119.4 154.1 -28.7 36.8 -1.4 43 43 A D E -Gf 53 104B 21 10,-2.9 10,-2.0 -2,-0.3 62,-0.2 -0.913 15.2-175.3 -98.4 116.7 -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 0.529 31.2-141.9 -87.3 -4.7 -27.6 43.0 -1.0 45 45 A K T 3 - 0 0 107 59,-0.3 61,-0.1 1,-0.3 60,-0.1 0.772 62.5 -58.4 56.6 35.5 -28.3 45.4 -3.9 46 46 A Y T 3 S+ 0 0 104 59,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.502 116.1 106.2 74.7 9.8 -25.3 47.7 -3.2 47 47 A R S < S- 0 0 184 -3,-2.4 60,-2.2 58,-0.3 -1,-0.3 -0.440 73.3-124.6-107.5-178.0 -26.6 48.4 0.4 48 48 A T S S+ 0 0 80 58,-0.2 2,-0.4 -2,-0.2 -3,-0.1 0.272 71.1 112.0-117.2 12.1 -25.3 47.3 3.8 49 49 A T S S- 0 0 104 -5,-0.3 -2,-0.2 2,-0.1 58,-0.1 -0.688 70.1-101.6 -80.9 133.3 -28.5 45.8 5.2 50 50 A L S S- 0 0 51 -2,-0.4 -2,-0.1 1,-0.2 -6,-0.0 -0.896 80.8 -2.9-122.6 150.1 -28.1 42.0 5.5 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.995 79.8-168.4 -84.2 -8.6 -28.8 39.5 4.2 52 52 A G - 0 0 35 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.684 48.7 -24.0 92.8-154.6 -30.9 41.3 1.6 53 53 A S E -G 43 0B 54 -10,-2.0 -10,-2.9 -2,-0.3 -8,-0.1 -0.812 66.6-105.6-102.9 139.2 -33.2 39.3 -0.7 54 54 A L E -G 42 0B 32 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.338 55.9 -96.1 -56.0 132.0 -32.9 35.6 -1.6 55 55 A W - 0 0 10 -14,-2.8 -25,-2.2 -25,-0.3 2,-0.4 -0.388 49.0-170.9 -67.1 124.2 -31.6 35.7 -5.2 56 56 A A E +D 29 0A 46 -2,-0.2 2,-0.3 -27,-0.2 -27,-0.2 -0.919 8.8 179.2-118.7 135.1 -34.5 35.3 -7.6 57 57 A D E -D 28 0A 22 -29,-2.3 -29,-3.0 -2,-0.4 3,-0.1 -0.998 24.8-142.1-139.8 138.9 -34.3 34.8 -11.4 58 58 A A S S+ 0 0 75 -2,-0.3 -1,-0.1 -31,-0.2 -29,-0.1 0.819 94.7 22.3 -73.6 -33.2 -37.1 34.4 -13.9 59 59 A D S S- 0 0 95 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.391 96.7-112.3-123.1 8.9 -35.6 31.8 -16.2 60 60 A N S S+ 0 0 13 1,-0.2 -51,-1.7 -32,-0.2 2,-0.4 0.677 81.4 116.2 72.9 15.4 -32.8 29.9 -14.4 61 61 A Q E -b 9 0A 85 -53,-0.2 2,-0.3 -51,-0.0 -2,-0.3 -0.987 44.1-171.2-118.0 128.0 -30.1 31.4 -16.6 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-2.1 -2,-0.4 9,-0.1 -0.575 41.0 122.2-121.2 62.0 -27.5 33.6 -14.9 63 63 A F + 0 0 76 -2,-0.3 -1,-0.1 -53,-0.3 2,-0.1 0.330 39.3 110.3-105.4 4.2 -25.5 35.2 -17.6 64 64 A A S >> S- 0 0 50 -3,-0.2 3,-0.9 1,-0.1 4,-0.9 -0.428 76.3-122.6 -72.8 154.1 -26.0 38.9 -16.8 65 65 A S G >4 S+ 0 0 115 1,-0.3 3,-1.0 2,-0.2 -1,-0.1 0.904 115.0 59.0 -66.6 -29.5 -23.0 40.7 -15.5 66 66 A Y G 34 S+ 0 0 65 1,-0.3 4,-0.4 2,-0.1 -1,-0.3 0.739 104.5 52.8 -64.4 -24.8 -25.0 41.6 -12.4 67 67 A D G X> S+ 0 0 17 -3,-0.9 4,-2.3 1,-0.2 3,-0.6 0.713 85.7 86.0 -82.9 -19.5 -25.5 37.8 -11.8 68 68 A A H S+ 0 0 4 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.854 113.3 50.8 -60.4 -29.9 -20.8 37.4 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.4 -4,-0.4 5,-0.3 0.917 106.6 53.5 -71.3 -43.1 -23.9 35.5 -7.2 71 71 A V H X S+ 0 0 0 -4,-2.3 4,-2.7 -60,-0.2 5,-0.2 0.942 114.4 41.4 -54.3 -48.3 -23.1 32.5 -9.4 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-2.9 1,-0.2 5,-0.4 0.890 112.3 52.7 -76.6 -37.1 -19.6 32.2 -8.0 73 73 A A H X S+ 0 0 0 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.919 115.6 43.1 -57.5 -42.5 -20.6 32.8 -4.4 74 74 A H H X S+ 0 0 3 -4,-2.4 4,-1.5 -5,-0.2 -2,-0.2 0.948 117.7 43.4 -69.8 -47.9 -23.2 30.1 -4.7 75 75 A Y H X S+ 0 0 94 -4,-2.7 4,-2.1 -5,-0.3 -2,-0.2 0.917 114.2 48.0 -67.9 -44.6 -21.0 27.6 -6.6 76 76 A Y H X S+ 0 0 28 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.830 106.3 58.1 -74.1 -26.5 -17.8 28.0 -4.5 77 77 A A H X S+ 0 0 0 -4,-1.6 4,-2.5 -5,-0.4 -1,-0.2 0.914 107.5 49.4 -61.5 -39.0 -19.8 27.7 -1.3 78 78 A G H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.928 109.7 49.7 -64.4 -43.4 -20.8 24.2 -2.7 79 79 A V H X S+ 0 0 13 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.932 112.0 48.6 -59.2 -41.6 -17.2 23.3 -3.5 80 80 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 5,-0.2 0.923 109.7 51.8 -67.1 -43.1 -16.2 24.3 -0.0 81 81 A Y H X S+ 0 0 12 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.924 110.6 49.6 -50.8 -51.2 -19.0 22.3 1.5 82 82 A D H X S+ 0 0 40 -4,-2.6 4,-2.8 1,-0.2 5,-0.4 0.897 108.0 53.5 -61.3 -42.0 -17.9 19.3 -0.6 83 83 A Y H X>S+ 0 0 10 -4,-2.4 4,-2.5 1,-0.2 5,-0.8 0.971 112.0 42.9 -58.7 -52.5 -14.3 19.7 0.6 84 84 A Y H X5S+ 0 0 4 -4,-2.5 6,-2.7 3,-0.2 4,-1.1 0.923 119.8 43.6 -65.6 -34.9 -15.1 19.7 4.2 85 85 A K H X5S+ 0 0 91 -4,-2.4 4,-1.0 4,-0.3 -2,-0.2 0.960 121.5 36.4 -69.5 -51.5 -17.6 16.8 3.9 86 86 A N H <5S+ 0 0 99 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.835 128.2 33.2 -75.4 -34.4 -15.5 14.6 1.6 87 87 A V H <5S+ 0 0 52 -4,-2.5 -3,-0.2 -5,-0.4 -1,-0.2 0.820 135.8 18.4 -93.4 -36.3 -12.0 15.3 3.0 88 88 A H H < - 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0 0 75 -2,-0.5 -9,-0.2 -9,-0.2 53,-0.1 -0.763 29.1-128.6 -84.5 117.4 11.1 17.7 4.2 257 257 A G - 0 0 34 -2,-0.6 -12,-0.2 -11,-0.3 -11,-0.2 -0.361 24.6-174.3 -72.1 148.3 7.7 18.2 2.6 258 258 A I - 0 0 25 -14,-2.7 4,-0.4 1,-0.2 -13,-0.2 0.391 45.7-107.4-118.2 -1.1 4.9 15.7 3.3 259 259 A G > - 0 0 24 -14,-2.0 4,-2.0 -15,-0.4 -1,-0.2 0.003 29.4 -76.8 96.3 159.7 2.2 17.1 0.9 260 260 A R H > S+ 0 0 89 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.836 119.8 57.1 -64.1 -41.4 -1.1 19.0 1.0 261 261 A D H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.947 111.5 42.3 -64.3 -43.1 -3.3 16.2 2.2 262 262 A K H > S+ 0 0 80 -4,-0.4 4,-2.8 2,-0.2 5,-0.2 0.887 111.4 55.8 -71.9 -35.5 -1.3 15.5 5.3 263 263 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.948 110.6 46.9 -50.9 -47.6 -1.0 19.2 5.9 264 264 A G H X S+ 0 0 3 -4,-2.8 4,-2.4 2,-0.2 5,-0.3 0.927 112.1 48.2 -65.6 -43.5 -4.8 19.4 5.8 265 265 A K H X S+ 0 0 91 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.931 113.5 48.1 -61.7 -45.4 -5.3 16.4 8.1 266 266 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.945 115.9 41.3 -63.6 -45.3 -2.8 17.8 10.6 267 267 A F H X S+ 0 0 0 -4,-2.6 4,-2.6 -5,-0.2 -1,-0.2 0.842 112.4 55.3 -75.0 -27.7 -4.2 21.3 10.7 268 268 A Y H X S+ 0 0 32 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.928 111.1 45.1 -65.9 -46.0 -7.8 20.1 10.7 269 269 A R H X>S+ 0 0 88 -4,-2.3 4,-2.7 -5,-0.3 5,-0.6 0.933 113.2 50.0 -62.2 -44.2 -7.2 18.0 13.8 270 270 A A H X>S+ 0 0 0 -4,-2.2 5,-2.8 -5,-0.3 4,-1.9 0.959 112.4 48.1 -59.9 -43.6 -5.3 20.8 15.5 271 271 A L H <5S+ 0 0 1 -4,-2.6 -118,-0.3 1,-0.2 -1,-0.2 0.891 121.4 34.0 -61.8 -42.3 -8.1 23.2 14.8 272 272 A T H <5S+ 0 0 36 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.651 130.3 26.7 -96.0 -14.5 -10.8 20.9 16.0 273 273 A Q H <5S+ 0 0 120 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.581 128.8 19.8-119.7 -15.6 -9.2 19.0 18.9 274 274 A Y T < - 0 0 62 -122,-0.1 3,-1.5 -2,-0.0 -120,-0.1 -0.759 41.0 -88.4-128.4 173.4 -8.5 27.2 22.0 277 277 A P T 3 S+ 0 0 60 0, 0.0 -121,-2.4 0, 0.0 -123,-0.1 0.820 126.0 40.4 -57.3 -28.5 -9.7 30.8 21.7 278 278 A T T 3 S+ 0 0 97 -123,-0.2 -117,-0.2 -125,-0.1 -118,-0.1 0.349 79.7 141.4-104.5 11.7 -6.4 32.1 23.2 279 279 A S < - 0 0 5 -3,-1.5 -115,-0.2 -126,-0.1 2,-0.2 -0.219 33.3-159.0 -54.2 133.9 -3.8 29.8 21.6 280 280 A N > - 0 0 60 -120,-0.1 4,-2.2 -119,-0.1 5,-0.2 -0.430 37.0 -87.3-101.4-174.4 -0.6 31.6 20.6 281 281 A F H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.906 126.9 52.0 -62.3 -42.5 2.0 30.5 18.0 282 282 A S H > S+ 0 0 54 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 110.6 49.1 -59.9 -40.2 3.9 28.4 20.4 283 283 A Q H > S+ 0 0 97 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.851 107.0 55.2 -70.6 -29.9 0.7 26.6 21.4 284 284 A L H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.914 105.3 53.9 -65.7 -41.2 -0.2 26.1 17.7 285 285 A R H X S+ 0 0 35 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.959 111.1 44.7 -52.5 -50.0 3.2 24.4 17.2 286 286 A A H X S+ 0 0 61 -4,-1.9 4,-2.6 1,-0.2 5,-0.2 0.905 112.6 52.3 -61.8 -41.9 2.4 22.0 20.1 287 287 A A H X S+ 0 0 8 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.880 111.7 45.9 -60.5 -41.8 -1.1 21.4 18.7 288 288 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.904 112.3 50.3 -71.5 -38.7 0.3 20.5 15.3 289 289 A V H X S+ 0 0 25 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.927 112.4 47.3 -63.1 -43.1 2.9 18.2 16.7 290 290 A Q H X S+ 0 0 82 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.892 112.4 50.5 -66.8 -36.2 0.4 16.4 18.8 291 291 A S H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.920 110.9 46.3 -67.4 -44.2 -1.9 16.1 15.9 292 292 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.5 0.898 112.5 54.0 -64.8 -35.8 0.7 14.7 13.6 293 293 A T H X S+ 0 0 33 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.952 108.9 46.6 -61.2 -52.1 1.6 12.4 16.5 294 294 A D H < S+ 0 0 61 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.899 119.9 40.4 -51.8 -44.2 -1.9 11.1 16.8 295 295 A L H < S+ 0 0 62 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.829 135.4 9.9 -81.7 -33.0 -2.3 10.6 13.0 296 296 A Y H < S- 0 0 72 -4,-2.9 -3,-0.2 -5,-0.2 -2,-0.2 0.455 107.6 -94.2-131.7 -6.0 1.1 9.2 12.1 297 297 A G >< - 0 0 30 -4,-2.3 3,-2.2 -5,-0.5 6,-0.4 0.196 34.4 -88.3 100.8 144.6 3.1 8.3 15.2 298 298 A S T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.738 126.7 47.0 -59.3 -24.6 5.7 10.0 17.4 299 299 A T T 3 S+ 0 0 136 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.294 88.8 125.0 -99.4 10.5 8.5 8.7 15.2 300 300 A S S <> S- 0 0 15 -3,-2.2 4,-1.5 1,-0.1 5,-0.1 -0.275 71.6-124.6 -68.4 157.1 6.9 9.6 11.9 301 301 A Q H > S+ 0 0 93 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.840 113.1 61.7 -54.8 -42.2 8.4 11.7 9.1 302 302 A E H > S+ 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.922 103.9 45.2 -55.9 -49.0 5.2 13.8 9.5 303 303 A V H > S+ 0 0 3 -6,-0.4 4,-1.8 -11,-0.2 -1,-0.2 0.920 113.2 50.5 -65.1 -37.0 6.0 14.8 13.1 304 304 A A H X S+ 0 0 37 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.887 109.7 51.4 -68.6 -35.8 9.6 15.6 12.3 305 305 A S H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.904 106.2 53.6 -67.7 -40.5 8.5 17.8 9.4 306 306 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.940 111.3 46.3 -61.0 -42.1 6.1 19.8 11.5 307 307 A K H X S+ 0 0 88 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.928 111.6 51.1 -63.5 -42.3 8.9 20.5 14.0 308 308 A Q H X S+ 0 0 53 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.890 109.8 51.7 -61.4 -41.5 11.3 21.4 11.2 309 309 A A H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 -1,-0.2 0.919 111.2 43.7 -64.7 -47.0 8.8 23.8 9.8 310 310 A F H <>S+ 0 0 0 -4,-2.2 5,-2.7 1,-0.2 3,-0.3 0.900 112.8 54.9 -67.7 -34.6 8.1 25.7 13.0 311 311 A D H ><5S+ 0 0 56 -4,-2.6 3,-1.9 1,-0.2 -2,-0.2 0.934 103.7 55.0 -57.0 -48.2 11.8 25.8 13.7 312 312 A A H 3<5S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.775 110.0 45.7 -60.9 -27.7 12.4 27.4 10.3 313 313 A V T 3<5S- 0 0 0 -4,-1.2 -96,-3.0 -3,-0.3 -1,-0.3 0.307 118.9-108.5 -99.9 11.9 9.9 30.2 11.1 314 314 A G T < 5S+ 0 0 19 -3,-1.9 2,-0.6 1,-0.2 -3,-0.2 0.734 72.7 136.5 81.2 17.9 11.4 30.8 14.5 315 315 A V < 0 0 4 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.1 -0.875 360.0 360.0-104.1 116.0 8.4 29.4 16.6 316 316 A K 0 0 152 -2,-0.6 -1,-0.1 -3,-0.1 -5,-0.1 0.641 360.0 360.0-107.6 360.0 9.4 27.1 19.5