==== 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 16-SEP-08 3EIM . 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) . 12481.0 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 . 19 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 104 32.9 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 1 0 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 79 0, 0.0 2,-0.5 0, 0.0 23,-0.0 0.000 360.0 360.0 360.0 147.6 -38.0 28.7 0.1 2 2 A T + 0 0 131 23,-0.1 2,-0.3 21,-0.0 21,-0.0 -0.772 360.0 107.7 -82.1 132.8 -40.1 25.6 -0.3 3 3 A G - 0 0 42 -2,-0.5 2,-0.4 23,-0.0 22,-0.2 -0.947 66.4 -65.9-176.2-165.1 -39.6 24.3 -3.9 4 4 A T E -A 24 0A 89 20,-2.2 20,-2.9 -2,-0.3 2,-0.2 -0.926 48.4-108.9-116.5 144.6 -38.2 21.7 -6.1 5 5 A S E +A 23 0A 72 -2,-0.4 2,-0.2 18,-0.2 18,-0.2 -0.451 46.2 164.8 -73.9 131.1 -34.5 21.1 -6.7 6 6 A T E -A 22 0A 30 16,-2.7 16,-2.4 -2,-0.2 2,-0.5 -0.781 33.9-120.8-136.7 175.3 -33.2 22.1 -10.1 7 7 A V E -A 21 0A 89 -2,-0.2 14,-0.2 14,-0.2 2,-0.2 -0.978 27.3-173.6-131.4 118.9 -29.9 22.7 -11.8 8 8 A G E -A 20 0A 2 12,-3.2 12,-2.3 -2,-0.5 2,-0.3 -0.497 11.6-141.1-103.2 177.1 -29.1 26.1 -13.4 9 9 A V E +Ab 19 61A 34 51,-1.8 53,-3.1 10,-0.2 2,-0.3 -0.989 31.2 134.6-137.7 147.5 -26.2 27.2 -15.5 10 10 A G E -Ab 18 62A 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.4 -0.938 45.9 -88.3-167.7-169.5 -24.2 30.4 -15.7 11 11 A R E -A 17 0A 106 51,-1.8 6,-0.2 -2,-0.3 60,-0.2 -0.939 33.3-137.8-118.5 139.6 -20.8 32.1 -15.9 12 12 A G > - 0 0 3 4,-2.8 3,-2.3 -2,-0.4 56,-0.2 -0.176 41.0 -80.4 -85.7-174.3 -18.6 33.1 -12.9 13 13 A V T 3 S+ 0 0 30 55,-0.6 122,-0.1 1,-0.3 55,-0.1 0.841 131.0 48.9 -55.2 -35.6 -16.6 36.2 -12.3 14 14 A L T 3 S- 0 0 83 54,-0.1 -1,-0.3 121,-0.1 -2,-0.0 0.398 122.6-103.6 -91.1 8.3 -13.7 35.0 -14.5 15 15 A G S < S+ 0 0 47 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.583 72.6 144.2 85.2 12.2 -16.1 34.0 -17.4 16 16 A D - 0 0 61 1,-0.0 -4,-2.8 -5,-0.0 2,-0.3 -0.648 48.7-124.5 -84.8 134.9 -16.1 30.3 -16.7 17 17 A Q E +A 11 0A 129 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.642 38.7 165.4 -83.1 133.0 -19.3 28.3 -17.3 18 18 A K E -A 10 0A 15 -8,-2.8 -8,-2.3 -2,-0.3 2,-0.3 -0.994 34.8-119.5-149.3 153.1 -20.6 26.3 -14.4 19 19 A N E -A 9 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.683 29.9-165.3 -88.7 146.5 -23.7 24.5 -13.2 20 20 A I E -A 8 0A 4 -12,-2.3 -12,-3.2 -2,-0.3 2,-0.5 -0.989 22.5-117.2-135.2 142.8 -25.3 25.5 -10.0 21 21 A N E +A 7 0A 41 -2,-0.4 -14,-0.2 -14,-0.2 2,-0.2 -0.655 44.1 171.3 -80.3 124.8 -27.9 23.9 -7.7 22 22 A T E -A 6 0A 1 -16,-2.4 -16,-2.7 -2,-0.5 2,-0.4 -0.715 30.1-127.1-126.8 175.6 -31.1 26.0 -7.5 23 23 A T E -AC 5 29A 0 6,-2.0 6,-3.2 -18,-0.2 2,-0.5 -0.991 18.9-147.1-128.2 126.6 -34.7 25.8 -6.2 24 24 A Y E +AC 4 28A 96 -20,-2.9 -20,-2.2 -2,-0.4 4,-0.2 -0.866 38.0 139.4-101.6 129.6 -37.7 26.5 -8.4 25 25 A S S S- 0 0 45 2,-2.5 2,-1.9 -2,-0.5 -23,-0.1 -0.541 94.7 -49.0-162.0 84.6 -40.8 28.1 -6.9 26 26 A T S S+ 0 0 111 -2,-0.1 2,-0.3 32,-0.0 -2,-0.1 -0.460 140.5 38.8 74.6 -55.2 -42.1 30.6 -9.5 27 27 A Y S S- 0 0 113 -2,-1.9 -2,-2.5 -4,-0.1 2,-0.6 -0.727 95.2-110.3-103.9 162.8 -38.6 32.0 -9.8 28 28 A Y E -CD 24 57A 57 29,-3.7 29,-2.6 -2,-0.3 2,-0.3 -0.903 39.3-158.7 -94.6 121.8 -35.4 30.0 -9.7 29 29 A Y E -CD 23 56A 41 -6,-3.2 2,-2.1 -2,-0.6 -6,-2.0 -0.716 28.0-114.8-100.8 148.5 -33.5 30.7 -6.4 30 30 A L S S+ 0 0 0 25,-1.9 11,-2.5 11,-0.4 2,-0.4 -0.587 71.8 130.3 -77.1 78.9 -29.9 30.3 -5.5 31 31 A Q E -E 40 0B 11 -2,-2.1 2,-0.7 9,-0.2 9,-0.2 -0.956 43.0-162.2-139.9 110.4 -30.7 27.6 -3.0 32 32 A D E > +E 39 0B 3 7,-2.8 7,-1.4 -2,-0.4 3,-0.6 -0.867 10.3 178.6-100.1 106.1 -28.8 24.4 -3.2 33 33 A N T 3 + 0 0 58 -2,-0.7 -1,-0.1 -11,-0.3 -28,-0.1 0.383 67.6 79.5 -90.7 6.5 -30.7 21.7 -1.3 34 34 A T T 3 S+ 0 0 83 1,-0.1 2,-0.5 5,-0.1 -1,-0.2 0.473 84.5 65.8 -91.1 -3.3 -28.1 19.0 -2.0 35 35 A R S X S- 0 0 48 -3,-0.6 3,-2.6 1,-0.1 -1,-0.1 -0.933 111.3 -67.5-126.1 111.2 -25.7 20.1 0.7 36 36 A G T 3 S- 0 0 30 -2,-0.5 62,-0.1 1,-0.3 3,-0.1 -0.125 112.3 -16.9 50.7-133.2 -26.6 19.8 4.3 37 37 A D T 3 S- 0 0 108 60,-1.5 -1,-0.3 1,-0.3 62,-0.2 0.182 120.5 -81.7 -91.6 25.0 -29.4 22.1 5.3 38 38 A G < - 0 0 2 -3,-2.6 62,-2.3 60,-0.1 2,-0.4 -0.018 28.9-107.8 108.7 153.8 -28.8 24.1 2.2 39 39 A I E -Ef 32 100B 0 -7,-1.4 -7,-2.8 60,-0.2 2,-0.4 -0.999 35.8-170.0-121.7 124.2 -26.6 26.8 0.6 40 40 A F E -Ef 31 101B 31 60,-3.0 62,-2.3 -2,-0.4 2,-0.4 -0.975 6.3-163.6-122.7 124.3 -28.4 30.1 0.1 41 41 A T E - f 0 102B 0 -11,-2.5 14,-3.0 -2,-0.4 -11,-0.4 -0.937 11.5-166.0-118.0 131.7 -27.0 33.1 -1.9 42 42 A Y E -Gf 54 103B 40 60,-3.4 62,-2.6 -2,-0.4 2,-0.6 -0.802 21.0-126.6-118.5 154.8 -28.4 36.6 -1.6 43 43 A D E -Gf 53 104B 18 10,-2.6 10,-2.0 -2,-0.3 62,-0.2 -0.913 14.1-174.9-100.8 115.4 -28.3 39.9 -3.3 44 44 A A > - 0 0 3 60,-2.7 3,-2.1 -2,-0.6 5,-0.3 0.519 33.0-140.6 -86.5 -7.5 -27.3 42.9 -1.1 45 45 A K T 3 - 0 0 112 59,-0.4 61,-0.1 1,-0.3 60,-0.1 0.759 62.3 -56.2 61.8 32.7 -28.0 45.1 -4.1 46 46 A Y T 3 S+ 0 0 104 59,-2.7 -1,-0.3 1,-0.3 2,-0.2 0.517 118.2 107.1 74.1 10.0 -25.1 47.5 -3.5 47 47 A R S < S- 0 0 173 -3,-2.1 60,-2.3 58,-0.4 -1,-0.3 -0.521 72.6-128.9-108.3-178.7 -26.3 48.2 -0.0 48 48 A T + 0 0 76 58,-0.2 2,-0.5 -2,-0.2 -3,-0.1 0.300 68.7 112.4-117.8 11.8 -25.1 47.1 3.4 49 49 A T S S- 0 0 98 -5,-0.3 -2,-0.1 2,-0.1 58,-0.1 -0.749 72.0 -98.5 -83.0 130.5 -28.3 45.7 4.9 50 50 A L S S- 0 0 56 -2,-0.5 -2,-0.1 1,-0.2 71,-0.0 -0.848 81.5 -6.6-116.4 148.2 -27.8 41.9 5.3 51 51 A P S S- 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.992 80.7-168.5 -86.1 -8.7 -28.4 39.4 4.1 52 52 A G - 0 0 34 -8,-0.1 2,-0.4 -10,-0.1 -8,-0.2 -0.721 47.9 -20.7 94.0-148.8 -30.6 41.1 1.5 53 53 A S E -G 43 0B 49 -10,-2.0 -10,-2.6 -2,-0.3 3,-0.1 -0.844 67.9-105.9-103.7 135.8 -32.9 39.1 -0.8 54 54 A L E -G 42 0B 35 -2,-0.4 -12,-0.3 -12,-0.2 2,-0.2 -0.294 55.9 -95.9 -51.8 129.3 -32.6 35.4 -1.7 55 55 A W - 0 0 10 -14,-3.0 -25,-1.9 -25,-0.3 2,-0.4 -0.316 49.1-170.4 -63.4 124.6 -31.3 35.4 -5.2 56 56 A A E +D 29 0A 46 -27,-0.2 2,-0.4 -2,-0.2 -27,-0.2 -0.941 9.7 177.2-120.2 133.9 -34.1 35.0 -7.7 57 57 A D E -D 28 0A 24 -29,-2.6 -29,-3.7 -2,-0.4 3,-0.1 -0.995 24.8-142.7-138.9 139.6 -33.8 34.5 -11.4 58 58 A A S S+ 0 0 73 -2,-0.4 -1,-0.1 -31,-0.2 -29,-0.1 0.799 94.0 25.0 -76.2 -29.4 -36.6 33.9 -13.9 59 59 A D S S- 0 0 84 2,-0.3 -1,-0.2 -31,-0.1 3,-0.1 0.347 96.9-114.1-125.0 9.5 -35.1 31.4 -16.3 60 60 A N S S+ 0 0 19 1,-0.2 -51,-1.8 -32,-0.2 2,-0.5 0.708 81.0 117.5 67.3 14.8 -32.4 29.5 -14.3 61 61 A Q E -b 9 0A 104 -53,-0.2 2,-0.3 -33,-0.0 -2,-0.3 -0.970 42.8-172.9-116.0 131.7 -29.7 30.9 -16.6 62 62 A F E +b 10 0A 0 -53,-3.1 -51,-1.8 -2,-0.5 9,-0.1 -0.523 40.1 121.0-125.3 62.6 -27.1 33.1 -14.9 63 63 A F + 0 0 58 -2,-0.3 -1,-0.2 -53,-0.3 2,-0.1 0.326 39.4 113.1-111.0 7.5 -24.9 34.7 -17.6 64 64 A A S > S- 0 0 51 -3,-0.2 4,-1.1 1,-0.1 3,-0.5 -0.475 76.7-118.2 -75.4 154.8 -25.5 38.3 -16.9 65 65 A S T >4 S+ 0 0 121 1,-0.2 3,-0.7 2,-0.2 -1,-0.1 0.898 117.8 53.4 -48.6 -47.0 -22.6 40.4 -15.6 66 66 A Y T 34 S+ 0 0 72 1,-0.2 4,-0.4 2,-0.1 -1,-0.2 0.782 105.8 54.8 -63.0 -30.2 -24.6 41.1 -12.5 67 67 A D T >> S+ 0 0 17 -3,-0.5 4,-2.2 1,-0.2 3,-0.6 0.782 85.9 83.0 -73.0 -28.5 -25.1 37.4 -11.9 68 68 A A H S+ 0 0 5 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.879 113.4 48.6 -60.7 -35.3 -20.5 37.2 -8.3 70 70 A A H <> S+ 0 0 0 -3,-0.6 4,-2.5 -4,-0.4 5,-0.3 0.884 107.4 54.7 -68.0 -41.7 -23.6 35.2 -7.1 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-2.6 -60,-0.2 -1,-0.2 0.949 113.8 41.3 -58.7 -45.1 -22.8 32.2 -9.3 72 72 A D H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 5,-0.4 0.897 112.6 51.9 -74.2 -40.0 -19.3 32.0 -7.8 73 73 A A H X S+ 0 0 0 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.945 116.8 42.6 -58.3 -42.2 -20.2 32.7 -4.2 74 74 A H H X S+ 0 0 3 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.948 117.9 43.3 -66.0 -52.2 -22.8 29.9 -4.6 75 75 A Y H X S+ 0 0 97 -4,-2.6 4,-2.1 -5,-0.3 -2,-0.2 0.920 116.0 46.2 -66.5 -44.9 -20.7 27.4 -6.4 76 76 A Y H X S+ 0 0 23 -4,-3.2 4,-2.5 1,-0.2 -1,-0.2 0.814 105.8 59.6 -75.1 -26.1 -17.6 27.9 -4.4 77 77 A A H X S+ 0 0 3 -4,-1.6 4,-2.2 -5,-0.4 -1,-0.2 0.926 108.3 47.9 -60.1 -38.2 -19.5 27.7 -1.1 78 78 A G H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.913 108.8 51.8 -68.3 -40.4 -20.5 24.2 -2.4 79 79 A V H X S+ 0 0 17 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.931 110.7 48.6 -60.8 -41.1 -17.0 23.3 -3.3 80 80 A T H X S+ 0 0 5 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.929 109.1 52.9 -64.4 -40.8 -15.9 24.2 0.2 81 81 A Y H X S+ 0 0 16 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.931 109.7 49.8 -53.7 -49.1 -18.7 22.2 1.8 82 82 A D H X S+ 0 0 42 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.858 108.2 53.3 -64.3 -33.9 -17.5 19.3 -0.3 83 83 A Y H X>S+ 0 0 9 -4,-2.0 4,-2.7 -5,-0.2 5,-0.7 0.977 111.7 42.7 -66.9 -51.2 -14.0 19.7 0.9 84 84 A Y H X5S+ 0 0 7 -4,-2.4 6,-2.9 3,-0.2 4,-1.1 0.910 119.9 43.8 -61.4 -40.0 -14.8 19.7 4.6 85 85 A K H X5S+ 0 0 87 -4,-2.6 4,-1.2 4,-0.3 -2,-0.2 0.970 120.8 37.4 -71.8 -48.6 -17.2 16.8 4.3 86 86 A N H <5S+ 0 0 98 -4,-2.6 -2,-0.2 -5,-0.3 -3,-0.2 0.852 127.9 32.0 -74.9 -32.4 -15.2 14.6 2.0 87 87 A V H <5S+ 0 0 58 -4,-2.7 -3,-0.2 -5,-0.3 -1,-0.2 0.787 136.0 20.1 -95.5 -36.1 -11.7 15.3 3.4 88 88 A H H < S- 0 0 5 -2,-0.8 3,-0.5 -11,-0.2 7,-0.1 -0.082 93.1 -55.7 58.1-167.1 -20.8 22.4 7.1 93 93 A Y T 3 S+ 0 0 10 5,-0.3 58,-0.2 1,-0.2 -1,-0.2 0.755 138.1 44.0 -81.5 -21.3 -19.1 24.9 9.4 94 94 A D T 3 S- 0 0 45 -3,-0.3 -1,-0.2 4,-0.1 -2,-0.2 0.451 109.3-117.2 -99.2 -0.7 -20.7 23.9 12.7 95 95 A G S < S+ 0 0 33 -3,-0.5 -4,-0.2 -4,-0.5 -3,-0.2 0.525 102.2 83.3 77.3 3.3 -20.3 20.2 12.0 96 96 A N S S- 0 0 125 -5,-0.2 -4,-0.2 -6,-0.1 -3,-0.1 0.026 111.6 -96.8-128.4 28.7 -24.1 19.9 12.0 97 97 A N - 0 0 37 -6,-2.7 -60,-1.5 1,-0.2 -5,-0.2 0.795 54.2-173.7 64.6 34.6 -25.0 20.9 8.4 98 98 A A - 0 0 15 -7,-0.5 -5,-0.3 -62,-0.1 -1,-0.2 -0.268 35.1 -96.0 -51.3 143.5 -25.8 24.5 9.2 99 99 A A - 0 0 16 -62,-0.2 2,-0.6 -63,-0.1 -60,-0.2 -0.393 35.5-137.1 -62.0 137.1 -27.2 26.4 6.3 100 100 A I E -f 39 0B 12 -62,-2.3 -60,-3.0 -3,-0.1 2,-0.4 -0.897 23.3-171.3-103.7 119.0 -24.5 28.4 4.5 101 101 A R E -f 40 0B 73 -2,-0.6 19,-3.0 17,-0.2 2,-0.4 -0.913 6.0-179.6-115.1 137.8 -25.6 31.9 3.5 102 102 A S E -fh 41 120B 0 -62,-2.3 -60,-3.4 -2,-0.4 2,-0.4 -0.991 11.7-157.8-133.3 140.1 -23.7 34.3 1.3 103 103 A S E -fh 42 121B 0 17,-2.5 19,-2.5 -2,-0.4 3,-0.2 -0.982 12.8-171.5-118.3 133.8 -24.5 37.9 0.2 104 104 A V E +f 43 0B 0 -62,-2.6 -60,-2.7 -2,-0.4 -59,-0.4 -0.622 63.1 43.9-113.0 178.2 -23.0 39.4 -2.9 105 105 A H S S+ 0 0 7 17,-0.2 -59,-2.7 1,-0.2 2,-0.5 0.889 75.7 178.6 53.2 39.8 -23.0 43.0 -4.4 106 106 A Y - 0 0 35 16,-2.3 18,-0.5 -3,-0.2 4,-0.4 -0.655 50.6 -35.0 -75.2 122.9 -22.3 44.2 -0.8 107 107 A S S S- 0 0 33 -60,-2.3 2,-0.4 -2,-0.5 -60,-0.1 -0.093 94.0 -60.9 62.1-163.4 -22.0 48.0 -0.7 108 108 A Q S S- 0 0 157 1,-0.1 3,-0.2 15,-0.1 18,-0.1 -0.971 109.6 -11.2-121.9 126.6 -20.3 49.9 -3.7 109 109 A G S S+ 0 0 37 -2,-0.4 2,-0.6 16,-0.3 17,-0.3 0.803 84.1 174.6 64.4 26.3 -16.7 49.3 -4.8 110 110 A Y - 0 0 68 -4,-0.4 15,-1.8 15,-0.3 2,-1.6 -0.567 22.8-158.3 -80.1 112.5 -16.1 47.3 -1.6 111 111 A N + 0 0 54 -2,-0.6 2,-0.3 -3,-0.2 -1,-0.1 -0.319 62.2 59.0 -86.1 54.0 -12.6 45.8 -1.7 112 112 A N - 0 0 71 -2,-1.6 11,-2.5 2,-0.0 2,-0.3 -0.993 55.1-152.6-169.3 169.5 -13.2 43.1 0.8 113 113 A A E +I 122 0B 2 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.973 24.9 167.6-149.6 148.3 -15.1 39.9 1.9 114 114 A F E -I 121 0B 47 7,-2.4 7,-2.8 -2,-0.3 2,-0.5 -0.992 40.2-113.6-161.0 161.3 -15.8 38.6 5.3 115 115 A W E -I 120 0B 26 -2,-0.3 5,-0.2 5,-0.2 -13,-0.0 -0.902 26.6-163.5 -93.3 122.5 -17.6 36.3 7.6 116 116 A N - 0 0 71 3,-2.5 4,-0.1 -2,-0.5 -1,-0.1 0.254 55.3 -85.2 -97.8 17.9 -19.9 38.4 9.8 117 117 A G S S+ 0 0 47 2,-0.2 3,-0.1 0, 0.0 -2,-0.0 0.060 124.9 32.4 100.4 -19.4 -20.6 35.8 12.6 118 118 A S S S+ 0 0 58 1,-0.4 2,-0.3 -17,-0.0 -17,-0.2 0.340 121.0 8.2-150.6 6.0 -23.5 34.3 10.7 119 119 A E S S- 0 0 9 -19,-0.1 -3,-2.5 2,-0.0 -1,-0.4 -0.964 71.9 -92.2-174.6 165.5 -22.9 34.5 6.9 120 120 A M E -hI 102 115B 0 -19,-3.0 -17,-2.5 -2,-0.3 2,-0.4 -0.648 32.8-164.5 -88.1 145.9 -20.5 35.3 4.2 121 121 A V E -hI 103 114B 0 -7,-2.8 -7,-2.4 -2,-0.3 2,-0.5 -0.995 2.7-167.6-130.4 129.4 -20.3 38.8 2.6 122 122 A Y E - 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0 0 27 -4,-1.6 3,-1.7 -5,-0.8 6,-0.4 0.005 36.1 -85.9 103.2 144.2 3.4 8.5 16.0 298 298 A S T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -5,-0.2 -5,-0.1 0.788 126.6 43.8 -57.2 -31.4 5.9 10.3 18.2 299 299 A T T 3 S+ 0 0 147 -3,-0.1 -1,-0.3 -6,-0.1 -2,-0.1 0.320 89.1 125.8-102.0 13.4 8.9 9.2 16.1 300 300 A S S <> S- 0 0 16 -3,-1.7 4,-1.8 1,-0.1 5,-0.1 -0.175 71.1-122.1 -68.0 158.2 7.3 9.9 12.7 301 301 A Q H > S+ 0 0 90 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.869 113.6 62.3 -54.3 -41.1 8.7 12.0 9.9 302 302 A E H > S+ 0 0 24 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.933 104.5 44.7 -57.8 -49.5 5.5 14.0 10.2 303 303 A V H > S+ 0 0 4 -6,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.929 113.1 52.0 -61.1 -42.4 6.2 15.0 13.7 304 304 A A H X S+ 0 0 34 -4,-1.8 4,-2.4 1,-0.2 -2,-0.2 0.893 109.4 49.1 -63.9 -37.7 9.8 15.8 12.8 305 305 A S H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.906 107.8 53.1 -72.8 -37.2 8.7 18.1 10.0 306 306 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.956 112.5 46.4 -58.6 -44.8 6.2 20.0 12.1 307 307 A K H X S+ 0 0 94 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.921 112.9 49.8 -60.9 -43.8 9.0 20.6 14.6 308 308 A Q H X S+ 0 0 51 -4,-2.4 4,-3.2 2,-0.2 -1,-0.2 0.895 110.2 50.0 -59.9 -45.6 11.4 21.6 11.8 309 309 A A H X S+ 0 0 0 -4,-3.0 4,-1.5 2,-0.2 -1,-0.2 0.933 112.4 45.9 -66.5 -42.4 8.9 24.0 10.2 310 310 A F H <>S+ 0 0 0 -4,-2.3 5,-2.5 -5,-0.2 4,-0.3 0.922 113.3 50.6 -67.6 -40.7 8.2 25.8 13.5 311 311 A D H ><5S+ 0 0 57 -4,-2.5 3,-2.2 -5,-0.2 -2,-0.2 0.963 105.5 57.7 -53.4 -50.5 11.9 25.9 14.3 312 312 A A H 3<5S+ 0 0 1 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.849 109.9 43.3 -53.1 -36.0 12.4 27.4 10.8 313 313 A V T 3<5S- 0 0 0 -4,-1.5 -96,-2.9 -3,-0.2 -1,-0.3 0.352 118.5-109.0 -97.6 14.0 10.1 30.3 11.6 314 314 A G T < 5S+ 0 0 26 -3,-2.2 2,-0.7 -4,-0.3 -3,-0.2 0.711 73.6 130.1 81.6 15.6 11.4 30.9 15.1 315 315 A V < 0 0 4 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.884 360.0 360.0-114.3 123.5 8.6 29.6 17.2 316 316 A K 0 0 173 -2,-0.7 -31,-0.2 -3,-0.1 -30,-0.1 -0.626 360.0 360.0-106.0 360.0 9.3 27.2 20.0