==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-APR-02 1LI6 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.Q.WEI,W.A.BAASE,L.H.WEAVER,B.W.MATTHEWS,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8697.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 7 4.3 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 . 87 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 1 2 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 85 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.2 43.4 -1.9 9.1 2 2 A N > - 0 0 69 95,-0.0 4,-2.6 92,-0.0 5,-0.2 -0.882 360.0 -85.4-146.0 176.2 40.3 -0.8 11.0 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.808 122.9 51.4 -52.5 -40.1 38.2 2.4 11.4 4 4 A F H > S+ 0 0 72 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 112.9 42.7 -69.8 -45.7 40.5 3.8 14.2 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.910 115.3 52.0 -65.9 -41.1 43.7 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.966 114.9 39.7 -61.9 -52.0 42.1 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 -5,-0.2 5,-0.4 0.863 109.2 60.6 -69.3 -28.0 40.7 7.8 10.9 8 8 A R H X S+ 0 0 108 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.907 107.0 48.1 -66.6 -28.4 43.8 8.3 12.9 9 9 A I H < S+ 0 0 90 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.924 114.4 44.3 -72.1 -42.6 45.6 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.815 125.1 30.4 -75.4 -29.3 43.1 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.667 92.8-152.8-101.1 -22.0 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.4 2,-0.4 -5,-0.4 -1,-0.1 -0.086 24.4 -82.8 72.0-172.8 46.1 13.1 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.981 44.8 167.8-131.0 122.3 46.7 13.6 16.6 14 14 A R E -A 28 0A 126 14,-1.8 14,-2.2 -2,-0.4 4,-0.1 -0.996 19.7-165.8-136.4 127.1 47.2 17.0 18.3 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.3 12,-0.2 2,-0.4 0.376 72.9 66.8 -89.0 -1.7 47.1 17.5 22.1 16 16 A K E S-C 57 0B 90 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.920 100.6 -86.8-121.8 149.2 46.7 21.3 21.9 17 17 A I E + 0 0 11 39,-1.7 2,-0.3 -2,-0.4 10,-0.2 -0.236 58.0 174.4 -51.9 137.1 43.8 23.2 20.6 18 18 A Y E -A 26 0A 26 8,-3.0 8,-4.0 -4,-0.1 2,-0.5 -0.893 34.5-109.3-139.1 171.0 44.0 23.8 16.9 19 19 A K E -A 25 0A 133 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.864 34.5-139.1-100.2 131.2 42.1 25.1 13.9 20 20 A D > - 0 0 50 4,-2.7 3,-2.2 -2,-0.5 -1,-0.0 -0.155 41.2 -80.4 -79.3-170.6 40.8 22.5 11.4 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.718 135.3 49.0 -62.2 -20.8 40.9 22.9 7.6 22 22 A E T 3 S- 0 0 83 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.389 124.1-104.1 -97.4 -0.9 37.7 25.0 7.9 23 23 A G S < S+ 0 0 35 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.481 74.1 139.0 91.0 12.9 39.2 27.2 10.7 24 24 A Y - 0 0 77 1,-0.1 -4,-2.7 -5,-0.1 -1,-0.3 -0.669 59.7-100.3 -96.8 149.9 37.3 25.7 13.6 25 25 A Y E +AB 19 34A 31 9,-0.7 8,-3.6 11,-0.4 9,-1.4 -0.324 54.7 156.2 -63.5 126.3 38.7 24.9 17.0 26 26 A T E -AB 18 32A 3 -8,-4.0 -8,-3.0 -2,-0.3 2,-0.3 -0.880 19.4-166.6-144.1 169.6 39.4 21.3 17.4 27 27 A I E > + B 0 31A 0 4,-2.0 4,-2.4 -2,-0.3 -12,-0.2 -0.982 49.6 3.3-154.0 169.7 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.8 -2,-0.3 2,-0.9 -0.361 123.2 -4.2 61.6-129.7 42.9 15.4 19.7 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.641 129.0 -53.8-101.4 72.9 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-0.9 -19,-0.4 -2,-0.2 0.789 84.5 160.3 67.0 31.6 39.7 15.5 14.9 31 31 A H E < -B 27 0A 31 -4,-2.4 -4,-2.0 1,-0.0 2,-0.2 -0.683 32.3-143.8 -90.3 108.2 37.4 16.3 17.8 32 32 A L E -B 26 0A 70 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.448 19.2-178.0 -68.3 135.1 35.6 19.5 17.0 33 33 A L E - 0 0 15 -8,-3.6 2,-0.3 1,-0.4 -7,-0.2 0.881 59.3 -24.3 -97.8 -42.8 35.1 21.6 19.9 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.968 35.0-137.9-165.8 153.8 33.2 24.6 18.5 35 35 A K S S+ 0 0 142 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.612 75.5 103.9 -90.6 -14.7 32.4 26.6 15.4 36 36 A S S S- 0 0 47 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.370 72.7-134.5 -67.9 149.7 32.6 29.8 17.3 37 37 A P S S+ 0 0 112 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.346 75.6 104.8 -86.8 4.1 35.8 31.9 16.7 38 38 A S > - 0 0 61 1,-0.1 4,-1.5 -13,-0.0 5,-0.1 -0.811 58.9-157.4 -89.0 116.4 36.2 32.7 20.5 39 39 A L H > S+ 0 0 56 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.734 94.6 59.2 -61.4 -27.8 39.1 30.6 21.9 40 40 A N H > S+ 0 0 108 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.951 100.7 53.0 -70.8 -43.3 37.5 30.9 25.2 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.909 111.5 49.5 -52.7 -40.5 34.4 29.3 24.0 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.894 109.3 49.0 -70.3 -38.4 36.6 26.5 22.8 43 43 A K H X S+ 0 0 45 -4,-2.4 4,-2.3 2,-0.2 11,-0.3 0.895 110.3 51.5 -69.1 -37.1 38.5 26.2 26.1 44 44 A S H X S+ 0 0 73 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.929 110.4 49.0 -63.9 -44.6 35.2 26.0 28.0 45 45 A E H X S+ 0 0 64 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.920 109.2 53.1 -63.7 -40.8 34.0 23.3 25.7 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.4 0.954 110.1 46.7 -56.7 -47.7 37.2 21.4 26.1 47 47 A D H X>S+ 0 0 34 -4,-2.3 4,-3.0 1,-0.2 5,-1.5 0.913 112.0 50.9 -59.0 -47.4 36.9 21.5 29.9 48 48 A K H <5S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 112.2 47.2 -56.8 -48.1 33.4 20.4 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.911 121.7 34.5 -62.2 -42.2 34.3 17.5 27.4 50 50 A I H <5S- 0 0 36 -4,-2.7 -2,-0.2 2,-0.3 -3,-0.2 0.758 103.4-124.7 -87.9 -30.1 37.2 16.3 29.5 51 51 A G T <5S+ 0 0 64 -4,-3.0 2,-0.3 -5,-0.4 -3,-0.2 0.843 76.5 67.3 89.2 34.5 35.9 17.1 32.9 52 52 A R S - 0 0 7 -2,-0.9 3,-1.0 -11,-0.3 -1,-0.2 0.725 32.3-144.5 -91.9 -28.9 42.6 21.7 30.7 55 55 A N T 3 S- 0 0 129 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.946 73.3 -55.5 60.0 45.8 43.9 25.1 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.625 119.9 94.8 66.6 11.9 43.7 24.0 26.1 57 57 A V B < -C 16 0B 70 -3,-1.0 2,-0.2 -41,-0.2 -41,-0.2 -0.997 47.3-179.9-139.0 141.2 45.8 21.0 26.4 58 58 A I - 0 0 5 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.771 26.2-106.3-129.2 175.4 45.0 17.3 26.9 59 59 A T > - 0 0 61 -2,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.529 31.6-109.5 -97.7 168.5 46.7 14.0 27.3 60 60 A K H > S+ 0 0 114 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.918 120.7 49.7 -60.6 -46.0 47.0 11.2 24.8 61 61 A D H > S+ 0 0 122 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.892 110.7 51.4 -62.1 -37.6 44.7 9.0 26.8 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.892 110.9 47.9 -65.7 -42.4 42.3 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -34,-0.4 0.907 111.7 49.7 -64.9 -41.6 42.4 12.3 23.2 64 64 A E H X S+ 0 0 69 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.817 107.4 54.6 -67.3 -30.4 41.9 8.6 22.6 65 65 A K H X S+ 0 0 134 -4,-1.5 4,-2.1 -5,-0.2 5,-0.2 0.945 108.5 47.7 -69.3 -44.6 39.0 8.6 24.9 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.900 110.0 54.8 -59.8 -37.0 37.3 11.4 23.0 67 67 A F H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.923 105.8 51.2 -63.7 -43.7 38.1 9.5 19.8 68 68 A N H X S+ 0 0 92 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.933 111.6 46.3 -57.9 -46.1 36.4 6.4 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.836 112.2 52.4 -67.0 -33.6 33.3 8.2 22.0 70 70 A D H X S+ 0 0 34 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.867 108.3 48.2 -74.0 -34.4 33.3 10.0 18.7 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.925 113.1 49.2 -66.7 -48.2 33.6 6.9 16.6 72 72 A D H X S+ 0 0 78 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.951 108.4 52.5 -55.6 -44.8 30.8 5.3 18.5 73 73 A A H X S+ 0 0 45 -4,-2.0 4,-2.8 1,-0.2 -1,-0.2 0.912 108.3 51.7 -60.0 -42.7 28.6 8.4 18.2 74 74 A A H X S+ 0 0 12 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.921 110.6 47.0 -59.4 -47.0 29.1 8.4 14.4 75 75 A V H X S+ 0 0 30 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.950 113.4 48.5 -59.5 -46.8 28.2 4.8 14.0 76 76 A R H X S+ 0 0 108 -4,-2.7 4,-1.5 -5,-0.2 -2,-0.2 0.897 108.8 54.2 -63.8 -36.3 25.2 5.2 16.2 77 77 A G H X S+ 0 0 3 -4,-2.8 4,-0.8 -5,-0.3 -1,-0.2 0.928 108.9 49.8 -64.4 -37.7 24.3 8.3 14.2 78 78 A I H >< S+ 0 0 3 -4,-2.4 3,-1.2 1,-0.2 7,-0.4 0.968 109.6 50.9 -62.3 -45.2 24.4 6.2 11.0 79 79 A L H 3< S+ 0 0 68 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.768 109.0 49.2 -67.5 -25.4 22.3 3.6 12.4 80 80 A R H 3< S+ 0 0 174 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.578 89.9 96.1 -88.0 -12.7 19.6 5.8 13.6 81 81 A N S+ 0 0 143 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.858 121.7 39.8 -80.8 -32.1 18.3 7.3 4.9 84 84 A L H >> S+ 0 0 9 -7,-0.1 4,-2.6 2,-0.1 3,-0.5 0.901 101.5 66.3 -82.2 -44.5 21.7 6.1 6.0 85 85 A K H 3X S+ 0 0 88 -4,-3.3 4,-2.8 -7,-0.4 5,-0.3 0.898 99.7 49.8 -46.5 -52.6 21.0 2.9 7.8 86 86 A P H 3> S+ 0 0 60 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.882 113.3 46.5 -60.3 -35.0 19.8 0.9 4.8 87 87 A V H < S+ 0 0 29 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.925 109.0 51.1 -49.4 -50.1 25.3 1.2 5.4 89 89 A D H 3< S+ 0 0 69 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.799 103.8 59.6 -69.1 -16.7 23.8 -2.3 6.1 90 90 A S H 3< S+ 0 0 38 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.663 93.7 87.3 -82.1 -8.5 24.0 -3.1 2.5 91 91 A L S << S- 0 0 8 -3,-1.5 31,-0.0 -4,-0.7 2,-0.0 -0.537 77.6-113.7 -93.1 162.7 27.8 -2.6 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.211 43.2 -92.5 -77.2 175.6 30.7 -4.9 3.1 93 93 A A H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 -1,-0.1 0.861 121.2 47.2 -62.3 -38.2 33.0 -4.3 6.0 94 94 A V H >> S+ 0 0 29 1,-0.2 4,-1.4 62,-0.2 3,-0.8 0.944 112.1 49.5 -68.6 -47.6 35.6 -2.2 4.3 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.816 104.1 61.2 -60.8 -28.9 33.2 0.1 2.6 96 96 A R H 3X S+ 0 0 78 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.863 100.1 55.2 -66.6 -30.0 31.4 0.6 6.0 97 97 A C H S+ 0 0 64 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.742 129.0 59.7 -61.6 -29.3 25.1 12.7 9.4 109 109 A T H > S+ 0 0 114 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.956 103.6 43.6 -62.9 -64.5 23.7 15.8 8.0 110 110 A G H >< S+ 0 0 34 -4,-0.9 3,-1.3 1,-0.2 4,-0.2 0.962 117.7 48.1 -51.9 -52.8 26.2 16.5 5.3 111 111 A V H >< S+ 0 0 6 -4,-2.3 3,-2.2 1,-0.3 -1,-0.2 0.865 99.4 64.1 -58.9 -45.1 26.2 12.8 4.3 112 112 A A H 3< S+ 0 0 28 -4,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.730 97.6 60.6 -50.2 -28.0 22.4 12.5 4.2 113 113 A G T << S+ 0 0 62 -3,-1.3 3,-0.3 -4,-0.9 -1,-0.3 0.471 79.3 85.7 -81.4 -2.9 22.5 15.1 1.2 114 114 A F <> + 0 0 38 -3,-2.2 4,-3.2 1,-0.2 3,-0.3 -0.193 54.9 149.1 -88.3 34.4 24.6 12.8 -1.0 115 115 A T H > + 0 0 73 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.846 64.2 47.1 -40.0 -50.9 21.4 11.2 -2.1 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.0 2,-0.2 -1,-0.3 0.916 113.9 45.7 -66.0 -43.7 22.5 10.3 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.5 1,-0.2 5,-0.3 0.898 110.4 56.9 -67.7 -30.9 25.8 8.8 -4.4 118 118 A L H X S+ 0 0 19 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.933 106.2 48.1 -64.2 -41.9 24.0 7.0 -1.7 119 119 A R H X S+ 0 0 118 -4,-2.3 4,-2.0 -5,-0.3 -1,-0.2 0.917 110.8 51.0 -65.6 -37.3 21.7 5.4 -4.1 120 120 A M H <>S+ 0 0 28 -4,-2.0 5,-2.3 1,-0.2 4,-0.5 0.890 109.7 50.5 -65.6 -37.1 24.6 4.3 -6.3 121 121 A L H ><5S+ 0 0 5 -4,-2.5 3,-1.2 1,-0.2 -1,-0.2 0.901 108.6 52.5 -67.9 -37.0 26.4 2.8 -3.5 122 122 A Q H 3<5S+ 0 0 94 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.910 109.0 48.8 -66.7 -32.3 23.4 0.9 -2.5 123 123 A Q T 3<5S- 0 0 88 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.525 114.4-118.8 -81.7 -3.1 23.0 -0.5 -6.0 124 124 A K T < 5 + 0 0 98 -3,-1.2 2,-1.6 -4,-0.5 3,-0.2 0.706 62.6 148.6 68.8 29.9 26.8 -1.4 -5.9 125 125 A R >< + 0 0 110 -5,-2.3 4,-2.6 1,-0.2 5,-0.2 -0.593 20.5 174.8 -92.8 75.6 27.6 0.8 -8.9 126 126 A W H > S+ 0 0 49 -2,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.878 70.4 41.9 -52.9 -53.9 31.2 1.5 -7.6 127 127 A D H > S+ 0 0 117 -3,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 114.3 51.6 -70.5 -33.7 32.6 3.4 -10.3 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.920 110.4 48.7 -66.0 -38.7 29.6 5.5 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.872 106.9 55.9 -63.8 -40.0 29.4 6.4 -7.2 130 130 A A H X S+ 0 0 9 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.929 110.1 45.5 -59.7 -49.9 33.1 7.4 -7.1 131 131 A V H X S+ 0 0 96 -4,-1.8 4,-0.8 1,-0.2 3,-0.4 0.953 115.2 48.4 -58.2 -48.1 32.6 9.9 -10.0 132 132 A N H >< S+ 0 0 33 -4,-2.2 3,-1.1 1,-0.3 -2,-0.2 0.927 108.3 52.7 -60.9 -44.1 29.5 11.2 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.3 6,-0.4 1,-0.2 -1,-0.3 0.868 102.8 59.1 -61.8 -33.0 31.1 11.6 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.5 2,-1.9 -3,-0.4 -1,-0.2 0.719 85.3 81.8 -70.1 -20.9 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 165 -3,-1.1 2,-0.3 -4,-0.8 -1,-0.2 -0.504 81.3 96.9 -81.3 66.4 31.4 16.2 -7.7 136 136 A S S > S- 0 0 17 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.994 84.9-118.2-156.2 159.6 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.904 114.6 62.5 -65.6 -37.6 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 19 2,-0.2 4,-2.2 1,-0.2 8,-0.2 0.935 106.2 42.5 -51.5 -52.5 33.9 17.9 0.1 139 139 A Y H 4 S+ 0 0 66 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.944 115.8 50.3 -63.1 -44.0 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 106 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.808 114.6 42.4 -68.4 -27.4 37.3 20.0 -3.8 141 141 A Q H < S+ 0 0 106 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.831 132.9 18.4 -88.8 -30.7 38.2 21.3 -0.3 142 142 A T S X S+ 0 0 22 -4,-2.2 4,-3.0 -5,-0.3 5,-0.2 -0.458 74.2 158.5-135.1 67.5 40.0 18.2 1.0 143 143 A P H > + 0 0 45 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.813 68.9 55.7 -58.8 -39.5 40.9 16.3 -2.1 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.3 1,-0.2 -2,-0.1 0.972 117.2 36.4 -64.2 -47.9 43.7 14.1 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 3,-0.4 0.945 115.9 54.0 -65.6 -48.6 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-3.0 4,-2.6 -8,-0.2 5,-0.2 0.927 106.9 54.3 -53.4 -40.4 38.4 12.6 -0.2 147 147 A K H X S+ 0 0 84 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.869 106.7 49.3 -62.4 -39.6 40.4 10.6 -2.7 148 148 A R H X S+ 0 0 70 -4,-1.3 4,-1.3 -3,-0.4 -1,-0.2 0.916 113.8 45.5 -66.6 -40.5 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.879 112.7 51.1 -69.0 -38.8 37.8 7.6 1.0 150 150 A I H X S+ 0 0 11 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.835 108.5 50.1 -66.2 -41.1 36.5 7.4 -2.5 151 151 A T H X S+ 0 0 31 -4,-2.1 4,-2.4 -5,-0.2 6,-0.4 0.845 108.4 55.3 -67.3 -28.7 38.9 4.8 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.933 111.3 42.1 -66.5 -46.5 37.9 2.9 -0.5 153 153 A F H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.881 116.2 51.4 -66.8 -36.4 34.3 3.0 -1.6 154 154 A R H < S+ 0 0 99 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 124.1 22.7 -66.7 -42.0 35.2 2.3 -5.1 155 155 A T H < S- 0 0 49 -4,-2.4 -2,-0.2 2,-0.2 -3,-0.2 0.639 84.1-135.4-102.7 -21.3 37.4 -0.8 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.736 73.5 101.1 67.1 19.5 36.3 -2.2 -1.2 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.2 -0.834 80.1-118.0-128.3 171.1 40.1 -2.6 -0.2 158 158 A W S >> S+ 0 0 48 -2,-0.3 3,-2.2 1,-0.2 4,-0.6 0.200 72.1 121.8 -95.0 17.1 42.5 -0.7 2.0 159 159 A D G >4 + 0 0 119 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.801 68.1 55.5 -50.8 -34.2 44.9 0.2 -0.8 160 160 A A G 34 S+ 0 0 31 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.679 110.6 46.0 -75.1 -15.6 44.6 3.9 -0.5 161 161 A Y G <4 0 0 9 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.424 360.0 360.0-103.7 1.6 45.7 3.5 3.1 162 162 A K << 0 0 205 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.1 -0.360 360.0 360.0 59.4 360.0 48.3 1.2 1.8