==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 23-SEP-96 213L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR I.R.VETTER,W.A.BAASE,D.W.HEINZ,J.-P.XIONG,S.SNOW, . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8377.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 7.4 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 . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.5 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 1 0 2 1 0 0 1 1 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 M 0 0 83 0, 0.0 2,-0.3 0, 0.0 158,-0.0 0.000 360.0 360.0 360.0 149.8 43.7 -1.7 9.4 2 2 A N >> - 0 0 63 95,-0.0 4,-2.4 92,-0.0 3,-0.7 -0.876 360.0 -78.8-150.4 173.9 40.3 -0.7 10.9 3 3 A I H 3> S+ 0 0 24 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.806 126.0 57.1 -51.2 -33.9 38.3 2.5 11.3 4 4 A F H 3> S+ 0 0 69 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.931 111.6 39.6 -63.5 -46.6 40.6 3.6 14.2 5 5 A E H <> S+ 0 0 90 -3,-0.7 4,-2.5 1,-0.2 -2,-0.2 0.922 114.3 56.1 -69.8 -43.3 43.8 3.5 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.913 114.4 35.4 -50.3 -59.1 42.2 4.9 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-1.6 2,-0.2 5,-0.3 0.675 112.4 60.1 -73.0 -23.7 40.9 8.1 11.1 8 8 A R H X S+ 0 0 92 -4,-1.2 4,-1.8 -5,-0.3 -1,-0.2 0.922 109.4 45.3 -64.8 -36.4 43.9 8.2 13.1 9 9 A I H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.904 116.8 43.5 -72.6 -39.3 45.7 8.5 9.8 10 10 A D H < S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.690 125.1 30.9 -79.7 -25.7 43.3 11.1 8.3 11 11 A E H < S- 0 0 47 -4,-1.6 19,-0.4 1,-0.2 -1,-0.2 0.628 88.9-157.9-102.8 -28.4 43.0 13.3 11.3 12 12 A G < - 0 0 23 -4,-1.8 2,-0.3 -5,-0.3 -1,-0.2 -0.236 26.8 -85.0 73.5-156.3 46.4 13.0 13.1 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.915 38.3 177.1-153.3 125.7 46.8 13.8 16.8 14 14 A R E -A 28 0A 125 14,-1.6 14,-2.7 -2,-0.3 4,-0.1 -0.990 18.4-162.3-136.0 129.0 47.4 17.0 18.6 15 15 A L E S+ 0 0 58 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.416 75.4 62.3 -83.3 -4.1 47.6 17.5 22.3 16 16 A K E S-C 57 0B 99 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.917 99.0 -82.1-123.3 153.0 47.0 21.3 22.1 17 17 A I E + 0 0 11 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.188 59.2 170.2 -50.2 132.1 44.2 23.4 20.9 18 18 A Y E -A 26 0A 29 8,-3.2 8,-2.9 -4,-0.1 2,-0.4 -0.870 35.0-112.5-144.7 173.4 44.3 23.9 17.1 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.932 29.0-144.5-112.4 122.2 42.4 25.2 14.1 20 20 A D > - 0 0 55 4,-2.1 3,-1.9 -2,-0.4 -1,-0.1 -0.063 47.5 -71.7 -79.3-172.7 41.2 22.7 11.5 21 21 A T T 3 S+ 0 0 100 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.752 136.1 45.4 -53.1 -29.9 41.1 23.4 7.7 22 22 A E T 3 S- 0 0 80 2,-0.1 -1,-0.3 0, 0.0 120,-0.0 0.133 125.0 -97.8-101.4 15.3 38.1 25.9 8.1 23 23 A G S < S+ 0 0 27 -3,-1.9 2,-0.4 1,-0.2 -2,-0.1 0.839 75.5 145.7 67.7 43.3 39.6 27.7 11.2 24 24 A Y - 0 0 66 -4,-0.1 -4,-2.1 1,-0.0 2,-0.6 -0.867 54.4-103.3-112.2 143.0 37.7 25.8 13.9 25 25 A Y E +AB 19 34A 31 9,-1.2 8,-3.6 -2,-0.4 9,-1.6 -0.458 53.8 152.5 -71.4 121.3 38.8 24.7 17.3 26 26 A T E -AB 18 32A 3 -8,-2.9 -8,-3.2 -2,-0.6 2,-0.3 -0.866 18.6-173.7-138.5 166.7 39.6 21.2 17.5 27 27 A I E > + B 0 31A 0 4,-1.2 4,-2.9 -2,-0.3 -12,-0.2 -0.957 49.4 5.7-157.3 172.1 41.9 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-1.6 -2,-0.3 2,-0.8 -0.273 123.9 -6.2 55.5-126.3 43.2 15.4 19.8 29 29 A I T 4 S- 0 0 3 34,-0.3 -1,-0.2 -16,-0.2 3,-0.1 -0.642 130.3 -50.0-105.0 68.8 42.1 13.2 16.9 30 30 A G T 4 S+ 0 0 14 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.790 82.7 163.8 73.2 31.6 39.8 15.4 15.1 31 31 A H E < -B 27 0A 29 -4,-2.9 -4,-1.2 1,-0.1 2,-0.7 -0.564 29.0-145.9 -86.4 105.4 37.7 16.5 18.1 32 32 A L E +B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.559 20.5 178.3 -78.4 122.2 35.8 19.5 17.1 33 33 A L E - 0 0 14 -8,-3.6 2,-0.3 -2,-0.7 -7,-0.2 0.885 58.5 -17.0 -87.5 -45.4 35.4 21.8 20.0 34 34 A T E -B 25 0A 24 -9,-1.6 -9,-1.2 1,-0.1 -1,-0.2 -0.736 30.4-146.9-172.3 128.1 33.5 24.6 18.7 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.721 76.2 113.8 -61.8 -16.3 32.6 26.4 15.6 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.3 2,-0.1 6,-0.1 -0.344 72.9-135.8 -65.1 127.2 32.9 29.5 17.8 37 37 A P S S+ 0 0 112 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.638 77.1 102.3 -53.6 -19.6 35.7 32.0 16.9 38 38 A S > - 0 0 56 1,-0.2 4,-2.4 -13,-0.0 5,-0.2 -0.636 56.8-162.3 -83.6 119.1 36.5 32.2 20.7 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-3.2 2,-0.2 -1,-0.2 0.836 98.3 56.2 -63.6 -27.8 39.5 30.3 22.1 40 40 A N H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.985 105.8 47.1 -66.8 -58.6 37.8 30.8 25.4 41 41 A A H > S+ 0 0 28 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.852 112.5 52.2 -45.8 -40.6 34.7 29.2 24.3 42 42 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.943 110.8 47.4 -66.2 -43.7 37.0 26.4 22.9 43 43 A K H X S+ 0 0 58 -4,-3.2 4,-1.8 2,-0.2 11,-0.3 0.856 113.2 46.3 -59.0 -42.8 38.6 26.1 26.3 44 44 A S H X S+ 0 0 75 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.877 111.5 52.6 -74.3 -32.2 35.3 26.0 28.2 45 45 A E H X S+ 0 0 64 -4,-2.1 4,-1.6 -5,-0.3 -2,-0.2 0.891 113.2 46.1 -69.2 -37.9 34.0 23.5 25.7 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.789 106.3 53.3 -70.7 -41.7 37.1 21.4 26.3 47 47 A D H X>S+ 0 0 30 -4,-1.8 4,-2.9 2,-0.2 5,-1.6 0.841 110.3 52.7 -67.5 -32.1 37.3 21.4 30.0 48 48 A K H <5S+ 0 0 143 -4,-1.4 -2,-0.2 2,-0.2 -1,-0.2 0.918 108.8 47.4 -68.9 -42.2 33.7 20.2 29.9 49 49 A A H <5S+ 0 0 41 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 122.7 35.1 -61.7 -46.2 34.5 17.3 27.6 50 50 A I H <5S- 0 0 37 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.742 103.3-128.3 -87.0 -32.4 37.4 16.3 29.7 51 51 A G T <5S+ 0 0 63 -4,-2.9 2,-0.3 1,-0.4 -3,-0.2 0.933 74.3 74.7 86.4 38.3 36.0 17.2 33.1 52 52 A R S - 0 0 11 -2,-1.0 3,-1.2 -11,-0.3 -1,-0.2 0.732 32.4-143.9 -82.0 -26.8 42.8 21.8 30.8 55 55 A N T 3 S- 0 0 126 1,-0.2 3,-0.1 -12,-0.1 -12,-0.1 0.582 74.9 -61.8 59.6 13.2 44.3 25.2 30.1 56 56 A G T 3 S+ 0 0 0 1,-0.3 -39,-1.9 -13,-0.2 2,-0.4 0.606 116.7 97.9 98.2 3.1 43.8 24.0 26.5 57 57 A V B < -C 16 0B 65 -3,-1.2 -1,-0.3 -41,-0.2 2,-0.3 -0.965 47.3-173.5-129.5 145.6 46.0 21.0 26.5 58 58 A I - 0 0 5 -43,-2.4 2,-0.1 -2,-0.4 -30,-0.1 -0.859 23.6-107.1-131.5 168.1 45.3 17.3 27.0 59 59 A T > - 0 0 57 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.437 35.5-106.7 -87.8 166.3 47.1 14.0 27.4 60 60 A K H > S+ 0 0 100 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.821 122.0 48.4 -61.1 -40.9 47.4 11.3 24.9 61 61 A D H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.845 107.4 55.2 -72.3 -32.7 45.0 9.1 26.8 62 62 A E H > S+ 0 0 37 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.927 108.0 49.4 -65.0 -39.7 42.7 12.0 27.1 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -34,-0.3 0.906 110.5 53.1 -59.7 -43.2 42.8 12.3 23.2 64 64 A E H X S+ 0 0 71 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.836 104.4 51.8 -64.8 -36.4 42.1 8.6 22.9 65 65 A K H X S+ 0 0 145 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.825 110.0 49.8 -69.6 -31.8 39.0 8.6 25.1 66 66 A L H X S+ 0 0 5 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.917 109.6 53.9 -70.4 -36.1 37.5 11.4 23.1 67 67 A F H X S+ 0 0 10 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.885 106.4 48.7 -63.1 -42.6 38.2 9.5 20.0 68 68 A N H X S+ 0 0 83 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.859 113.1 48.8 -61.8 -46.0 36.5 6.3 21.2 69 69 A Q H X S+ 0 0 104 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.886 113.0 48.2 -56.1 -51.5 33.5 8.3 22.1 70 70 A D H X S+ 0 0 39 -4,-2.7 4,-1.7 2,-0.2 -2,-0.2 0.894 111.5 47.8 -61.7 -42.8 33.5 10.1 18.7 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.968 113.0 51.7 -68.5 -40.5 33.9 6.8 16.6 72 72 A D H X S+ 0 0 78 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.887 108.4 47.9 -54.6 -48.0 31.1 5.4 18.7 73 73 A A H X S+ 0 0 47 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.806 109.7 55.5 -66.5 -33.6 28.7 8.3 18.1 74 74 A A H X S+ 0 0 9 -4,-1.7 4,-2.5 2,-0.2 3,-0.2 0.987 108.6 45.8 -57.9 -62.2 29.4 8.2 14.4 75 75 A V H X S+ 0 0 32 -4,-2.2 4,-2.1 1,-0.3 -2,-0.2 0.917 115.2 47.9 -50.1 -47.6 28.5 4.7 14.1 76 76 A R H X S+ 0 0 120 -4,-2.3 4,-1.6 1,-0.2 -1,-0.3 0.840 107.2 55.9 -65.7 -31.7 25.4 5.2 16.1 77 77 A G H X S+ 0 0 3 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.943 108.4 48.2 -64.3 -46.2 24.5 8.2 14.1 78 78 A I H < S+ 0 0 0 -4,-2.5 7,-0.5 1,-0.2 3,-0.3 0.885 109.2 52.9 -55.7 -47.0 24.6 6.1 11.0 79 79 A L H < S+ 0 0 75 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.786 111.0 47.5 -66.3 -26.3 22.5 3.3 12.6 80 80 A R H < S+ 0 0 166 -4,-1.6 2,-0.3 -5,-0.2 -1,-0.2 0.656 92.3 95.4 -87.1 -17.6 19.9 5.8 13.6 81 81 A N X - 0 0 24 -4,-1.2 4,-2.2 -3,-0.3 28,-0.0 -0.558 60.5-157.7 -82.1 129.3 19.8 7.5 10.1 82 82 A A T 4 S+ 0 0 86 -2,-0.3 -1,-0.2 1,-0.2 -4,-0.0 0.874 96.7 44.5 -68.6 -43.8 17.1 6.1 7.9 83 83 A K T 4 S+ 0 0 124 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.681 120.2 39.0 -63.7 -41.7 18.9 7.2 4.9 84 84 A L T >> S+ 0 0 0 -7,-0.2 4,-2.1 -6,-0.2 3,-1.0 0.897 101.4 68.3 -86.0 -46.9 22.3 6.0 6.0 85 85 A K H 3X S+ 0 0 68 -4,-2.2 4,-3.1 -7,-0.5 -3,-0.1 0.844 98.1 49.0 -42.1 -48.3 21.6 2.7 7.7 86 86 A P H 3> S+ 0 0 54 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.788 111.6 51.0 -71.5 -21.5 20.5 0.6 4.6 87 87 A V H <> S+ 0 0 1 -3,-1.0 4,-1.5 -4,-0.3 -2,-0.2 0.869 110.5 49.3 -75.9 -42.3 23.6 1.8 2.8 88 88 A Y H >< S+ 0 0 32 -4,-2.1 3,-0.6 1,-0.2 -3,-0.2 0.943 106.9 54.6 -64.1 -43.5 25.6 0.8 5.6 89 89 A D H 3< S+ 0 0 82 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.798 107.7 50.7 -60.5 -29.9 23.9 -2.6 5.8 90 90 A S H 3< S+ 0 0 43 -4,-1.1 -1,-0.2 -5,-0.1 -2,-0.2 0.741 94.5 91.9 -77.6 -29.7 24.7 -3.4 2.2 91 91 A L S << S- 0 0 5 -4,-1.5 2,-0.1 -3,-0.6 31,-0.0 -0.306 74.5-117.9 -68.6 154.5 28.4 -2.5 2.3 92 92 A D > - 0 0 55 1,-0.1 4,-1.6 -2,-0.0 5,-0.2 -0.280 41.6 -91.1 -74.9 172.3 31.3 -4.8 3.1 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.874 123.7 44.9 -58.1 -43.4 33.6 -4.3 6.1 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.1 63,-0.2 3,-0.3 0.942 111.9 50.8 -66.4 -44.6 36.1 -2.0 4.4 95 95 A R H > S+ 0 0 27 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.767 105.9 55.6 -65.2 -28.3 33.6 0.1 2.6 96 96 A R H X S+ 0 0 73 -4,-1.6 4,-3.7 1,-0.2 -1,-0.2 0.834 99.3 62.1 -72.8 -32.8 31.7 0.8 5.8 97 97 A A H X S+ 0 0 9 -4,-1.2 4,-1.8 -3,-0.3 -2,-0.2 0.869 104.7 47.3 -56.0 -31.1 34.8 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.846 110.1 51.8 -81.8 -33.0 34.8 4.7 4.7 99 99 A L H X S+ 0 0 1 -4,-1.3 4,-1.6 1,-0.2 -2,-0.2 0.948 110.5 47.8 -62.2 -48.3 31.3 5.5 5.3 100 100 A I H X S+ 0 0 9 -4,-3.7 4,-2.6 2,-0.2 5,-0.3 0.915 107.4 58.8 -59.3 -37.3 32.0 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.970 107.7 44.7 -58.0 -53.9 35.0 8.1 8.0 102 102 A M H X S+ 0 0 4 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.835 112.3 52.3 -58.7 -31.8 32.8 10.6 6.2 103 103 A V H X S+ 0 0 7 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.953 109.4 48.7 -72.2 -43.2 30.3 10.6 9.0 104 104 A F H < S+ 0 0 34 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.8 45.5 -56.0 -44.3 33.0 11.3 11.6 105 105 A Q H < S+ 0 0 37 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.896 133.4 8.3 -71.8 -43.4 34.2 14.1 9.3 106 106 A M H X S- 0 0 40 -4,-2.5 4,-0.9 -5,-0.2 5,-0.3 0.113 102.3-108.8-133.6 26.9 30.8 15.8 8.3 107 107 A G H X - 0 0 31 -4,-1.8 4,-2.6 3,-0.2 -1,-0.2 0.261 34.4 -81.5 64.8 161.3 28.1 14.4 10.4 108 108 A E H > S+ 0 0 51 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.746 129.7 51.7 -64.6 -37.6 25.2 12.2 9.6 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.899 109.6 47.5 -74.0 -43.1 23.3 15.1 8.3 110 110 A G H >< S+ 0 0 30 -4,-0.9 3,-0.7 1,-0.2 -2,-0.2 0.941 118.4 42.6 -62.5 -44.6 26.1 16.3 6.0 111 111 A V H >< S+ 0 0 1 -4,-2.6 3,-2.7 -5,-0.3 -2,-0.2 0.949 103.3 62.6 -66.5 -46.7 26.6 12.8 4.7 112 112 A A H 3< S+ 0 0 10 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.662 95.7 68.7 -57.7 -8.9 22.9 11.8 4.4 113 113 A G T << S+ 0 0 56 -3,-0.7 -1,-0.3 -4,-0.6 3,-0.2 0.292 72.2 82.2 -93.0 6.2 22.8 14.7 1.8 114 114 A F <> + 0 0 39 -3,-2.7 4,-2.2 1,-0.2 3,-0.3 -0.453 58.9 158.3-101.5 45.2 25.0 13.0 -0.8 115 115 A T H > + 0 0 68 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.755 64.6 52.6 -31.3 -50.5 21.8 11.1 -1.9 116 116 A N H > S+ 0 0 83 2,-0.2 4,-1.5 -3,-0.2 -1,-0.2 0.944 110.6 42.2 -57.8 -64.0 23.1 10.4 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-1.4 1,-0.2 5,-0.2 0.818 110.7 61.2 -50.7 -44.6 26.3 8.7 -4.3 118 118 A L H X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 3,-0.3 0.898 105.3 46.2 -57.0 -42.9 24.4 6.9 -1.6 119 119 A R H X S+ 0 0 106 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.896 110.4 52.5 -68.9 -34.1 22.2 5.2 -4.1 120 120 A M H <>S+ 0 0 16 -4,-1.5 5,-2.7 2,-0.2 9,-0.3 0.710 110.7 47.6 -71.7 -22.2 25.1 4.3 -6.3 121 121 A L H ><5S+ 0 0 3 -4,-1.4 3,-2.3 -3,-0.3 -1,-0.2 0.888 109.1 53.8 -80.6 -44.2 26.9 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 87 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.873 111.3 45.9 -51.3 -44.4 23.8 0.9 -2.4 123 123 A Q T 3<5S- 0 0 92 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.290 114.5-118.7 -84.8 2.7 23.6 -0.4 -6.0 124 124 A K T < 5 + 0 0 98 -3,-2.3 2,-1.2 1,-0.2 -3,-0.2 0.675 63.4 144.5 63.5 32.1 27.2 -1.3 -6.0 125 125 A R >< + 0 0 108 -5,-2.7 4,-2.1 1,-0.2 5,-0.2 -0.706 20.9 174.8 -98.7 81.2 28.3 0.9 -8.9 126 126 A W H > S+ 0 0 47 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.869 71.7 47.3 -57.5 -48.0 31.7 1.8 -7.5 127 127 A D H > S+ 0 0 113 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.922 114.1 46.0 -67.5 -38.9 33.1 3.7 -10.3 128 128 A E H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 111.9 53.3 -69.8 -36.2 30.0 5.8 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.1 4,-2.4 -9,-0.3 5,-0.2 0.871 108.0 50.4 -66.9 -34.6 29.9 6.4 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.3 1,-0.3 -1,-0.2 0.872 109.7 49.4 -73.0 -37.0 33.4 7.6 -7.0 131 131 A V H < S+ 0 0 86 -4,-1.7 4,-0.4 -5,-0.2 -1,-0.3 0.856 113.4 46.8 -64.7 -42.1 33.0 10.0 -9.7 132 132 A N H >< S+ 0 0 41 -4,-1.8 3,-0.8 1,-0.2 -2,-0.2 0.825 109.7 53.7 -70.3 -34.2 29.9 11.3 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.4 6,-0.3 1,-0.2 -1,-0.2 0.855 100.8 62.7 -67.1 -30.3 31.5 11.6 -4.8 134 134 A A T 3< S+ 0 0 22 -4,-1.3 2,-1.8 -5,-0.2 -1,-0.2 0.688 82.5 79.5 -69.7 -21.5 34.3 13.6 -6.3 135 135 A K S < S+ 0 0 152 -3,-0.8 2,-0.3 -4,-0.4 -1,-0.2 -0.546 77.1 107.2 -87.4 74.3 32.1 16.4 -7.3 136 136 A S S > S- 0 0 15 -2,-1.8 4,-2.5 1,-0.1 5,-0.2 -0.943 81.8-120.6-147.4 163.3 32.0 18.0 -4.0 137 137 A R H >>S+ 0 0 146 -2,-0.3 5,-3.4 3,-0.2 4,-3.0 0.865 115.6 62.8 -68.0 -29.3 33.2 20.9 -2.1 138 138 A W H 4>S+ 0 0 3 3,-0.2 5,-3.2 2,-0.2 9,-0.3 0.881 115.5 27.8 -56.1 -54.1 34.7 18.1 0.1 139 139 A Y H 45S+ 0 0 69 -6,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.925 124.4 49.0 -74.4 -54.1 36.8 16.8 -2.6 140 140 A N H <5S- 0 0 106 -4,-2.5 -2,-0.2 -6,-0.2 -3,-0.2 0.718 136.6 -11.9 -59.3 -35.5 37.3 20.1 -4.6 141 140AA A T <5S+ 0 0 66 -4,-3.0 -3,-0.2 -5,-0.2 -4,-0.1 0.587 121.4 64.4-140.8 -39.8 38.2 22.4 -1.9 142 141 A Q T >< + 0 0 27 -5,-3.2 4,-2.8 -6,-0.2 3,-0.6 -0.448 67.8 174.5-143.5 74.1 40.0 18.2 2.0 144 143 A P H 3> S+ 0 0 50 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.895 75.7 42.6 -47.0 -63.1 41.2 17.0 -1.4 145 144 A N H 3> S+ 0 0 106 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.805 116.9 46.2 -61.0 -33.5 43.7 14.3 -0.5 146 145 A R H <> S+ 0 0 18 -3,-0.6 4,-2.3 2,-0.2 5,-0.3 0.943 110.5 52.9 -79.1 -41.2 41.8 12.8 2.3 147 146 A A H X S+ 0 0 0 -4,-2.8 4,-4.0 -9,-0.3 -2,-0.2 0.950 107.7 53.1 -52.1 -47.4 38.6 12.8 0.2 148 147 A K H X S+ 0 0 97 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.921 109.5 49.5 -55.3 -42.4 40.7 10.9 -2.6 149 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.897 116.6 39.9 -58.9 -46.9 41.7 8.3 0.0 150 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.896 113.5 54.8 -71.5 -41.0 38.2 7.8 1.2 151 150 A I H X S+ 0 0 13 -4,-4.0 4,-0.7 -5,-0.3 -2,-0.2 0.910 109.7 47.7 -53.9 -47.0 36.9 7.9 -2.3 152 151 A T H X S+ 0 0 36 -4,-2.7 4,-2.4 -5,-0.2 5,-0.4 0.734 106.5 57.3 -65.5 -34.6 39.4 5.1 -3.3 153 152 A T H X S+ 0 0 0 -4,-1.5 4,-3.3 1,-0.2 5,-0.4 0.987 106.0 49.3 -61.9 -52.1 38.4 3.0 -0.4 154 153 A F H < S+ 0 0 3 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.739 114.9 47.9 -55.1 -29.5 34.8 3.1 -1.6 155 154 A R H < S+ 0 0 111 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.955 123.5 24.5 -77.5 -52.9 36.0 2.1 -5.0 156 155 A T H < S- 0 0 53 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.648 85.5-136.2 -87.4 -25.9 38.3 -0.7 -4.3 157 156 A G S < S+ 0 0 17 -4,-3.3 2,-0.3 -5,-0.4 -63,-0.2 0.794 73.9 107.7 67.9 19.4 37.0 -2.0 -1.1 158 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.4 -1,-0.3 -0.870 78.4-127.3-122.7 166.8 40.7 -2.2 -0.1 159 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.8 1,-0.2 4,-0.5 0.096 71.5 121.8 -94.2 9.5 42.9 -0.2 2.2 160 159 A D G >4 + 0 0 96 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.879 68.8 58.1 -47.5 -35.1 45.4 0.4 -0.6 161 160 A A G 34 S+ 0 0 32 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.635 102.6 59.5 -67.9 -16.9 44.9 4.1 -0.2 162 161 A Y G <4 0 0 18 -3,-2.8 -1,-0.3 -13,-0.1 -2,-0.2 0.568 360.0 360.0 -92.8 -9.2 46.1 3.6 3.3 163 162 A K << 0 0 185 -3,-1.7 -2,-0.1 -4,-0.5 -3,-0.1 0.544 360.0 360.0-127.1 360.0 49.5 2.1 2.7