==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-99 1CX6 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR N.C.GASSNER,W.A.BAASE,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8690.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 15 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 1 0 1 2 0 0 1 1 0 0 0 0 0 1 0 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 X 0 0 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 142.4 43.3 -2.0 9.3 2 2 A N > - 0 0 63 95,-0.0 4,-2.6 92,-0.0 5,-0.2 -0.892 360.0 -81.2-149.8-178.8 40.1 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.805 124.2 55.3 -61.8 -36.7 38.2 2.4 11.1 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.945 111.4 42.6 -66.9 -45.2 40.2 3.6 14.0 5 5 A E H > S+ 0 0 99 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.853 114.0 53.7 -67.7 -36.9 43.5 3.3 12.2 6 6 A X H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.948 110.3 42.9 -59.5 -50.9 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.825 108.8 60.7 -66.0 -30.0 40.7 7.9 10.8 8 8 A R H X S+ 0 0 105 -4,-1.7 4,-1.7 1,-0.2 -1,-0.2 0.901 108.1 45.8 -67.3 -34.9 44.0 8.2 12.8 9 9 A I H < S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.936 115.2 45.3 -68.4 -50.0 45.8 8.5 9.5 10 10 A D H < S+ 0 0 19 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.805 125.8 28.2 -66.7 -31.4 43.3 10.9 8.0 11 11 A E H < S- 0 0 46 -4,-2.3 19,-0.4 -5,-0.1 -1,-0.2 0.633 90.6-155.8-106.4 -24.7 43.0 13.2 11.0 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.138 25.4 -81.5 75.2-170.0 46.3 12.9 12.7 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.978 42.9 169.3-139.9 123.6 46.8 13.7 16.5 14 14 A R E -A 28 0A 132 14,-1.7 14,-2.5 -2,-0.4 4,-0.1 -0.995 20.1-162.7-136.2 128.4 47.3 17.0 18.2 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.0 12,-0.2 2,-0.4 0.434 73.3 66.1 -89.2 3.4 47.3 17.6 21.8 16 16 A K E S-C 57 0B 95 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.936 98.2 -87.9-124.4 147.7 46.8 21.3 21.6 17 17 A I E + 0 0 22 39,-1.7 2,-0.3 -2,-0.4 10,-0.2 -0.202 58.0 168.9 -50.2 135.4 43.9 23.3 20.4 18 18 A Y E -A 26 0A 32 8,-3.2 8,-3.7 -4,-0.1 2,-0.5 -0.919 36.8-106.3-146.2 167.1 44.3 23.9 16.7 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.877 32.0-141.5 -97.3 129.8 42.3 25.1 13.7 20 20 A D > - 0 0 45 4,-2.7 3,-2.3 -2,-0.5 -1,-0.0 -0.133 40.6 -81.4 -76.4-173.8 41.1 22.5 11.3 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.700 134.8 50.3 -60.3 -27.2 41.1 23.1 7.4 22 22 A E T 3 S- 0 0 79 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.409 123.6-109.2 -86.5 -5.6 37.8 25.0 7.6 23 23 A G S < S+ 0 0 31 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.645 71.3 139.6 84.9 25.2 39.5 27.2 10.5 24 24 A Y - 0 0 81 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.760 61.5 -98.7 -97.1 142.1 37.4 25.8 13.4 25 25 A Y E +AB 19 34A 33 9,-0.9 8,-2.7 11,-0.5 9,-1.3 -0.386 55.6 159.4 -64.5 134.1 38.9 25.0 16.7 26 26 A T E -AB 18 32A 4 -8,-3.7 -8,-3.2 6,-0.2 2,-0.3 -0.935 17.6-174.5-146.6 164.8 39.7 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.0 -2,-0.3 2,-0.2 -0.979 50.6 14.6-151.6 176.1 41.9 19.1 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-1.7 -2,-0.3 2,-0.8 -0.465 120.5 -13.0 66.2-136.0 42.9 15.5 19.5 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.738 127.1 -48.6-104.5 73.6 42.0 13.3 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.721 86.6 157.6 75.0 20.7 39.7 15.4 14.7 31 31 A H E < -B 27 0A 35 -4,-2.0 -4,-1.9 1,-0.0 2,-0.3 -0.632 32.7-146.8 -85.6 107.9 37.5 16.3 17.6 32 32 A L E -B 26 0A 72 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.485 17.1-176.1 -71.2 131.7 35.8 19.5 16.7 33 33 A L E - 0 0 13 -8,-2.7 2,-0.3 1,-0.3 -7,-0.2 0.890 60.1 -27.5 -93.2 -45.4 35.2 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.9 2,-0.1 -1,-0.3 -0.913 35.2-137.9-170.4 151.5 33.3 24.5 18.2 35 35 A K S S+ 0 0 135 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.477 74.1 105.1 -93.6 -4.9 32.7 26.4 15.1 36 36 A S S S- 0 0 47 2,-0.1 -11,-0.5 1,-0.1 6,-0.1 -0.452 75.6-125.4 -77.8 155.3 32.7 29.7 16.8 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.574 76.7 104.5 -78.2 -5.8 35.7 32.1 16.5 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 5,-0.1 -0.617 56.1-158.6 -78.4 127.2 36.3 32.5 20.2 39 39 A L H > S+ 0 0 64 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.817 95.7 56.2 -68.4 -23.1 39.3 30.7 21.5 40 40 A N H > S+ 0 0 105 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.925 102.3 52.6 -76.1 -40.0 37.7 31.0 24.9 41 41 A A H > S+ 0 0 31 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.922 110.3 50.3 -51.8 -49.8 34.6 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.901 109.4 49.3 -57.6 -49.3 36.8 26.6 22.5 43 43 A K H X S+ 0 0 57 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.863 110.5 52.1 -61.3 -34.3 38.6 26.2 25.8 44 44 A S H X S+ 0 0 74 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.953 110.2 46.8 -68.1 -45.4 35.4 26.2 27.6 45 45 A E H X S+ 0 0 69 -4,-2.8 4,-1.8 1,-0.2 -2,-0.2 0.874 110.9 54.0 -61.8 -40.2 34.1 23.4 25.3 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.2 5,-0.3 0.925 108.3 47.4 -59.2 -43.1 37.3 21.6 25.8 47 47 A D H X>S+ 0 0 34 -4,-2.1 4,-2.3 1,-0.2 5,-1.4 0.905 109.4 55.2 -68.9 -35.9 37.0 21.7 29.6 48 48 A K H <5S+ 0 0 147 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.853 111.1 44.1 -61.0 -39.3 33.4 20.6 29.4 49 49 A A H <5S+ 0 0 45 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.845 118.1 41.8 -79.2 -32.7 34.3 17.5 27.4 50 50 A I H <5S- 0 0 33 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.753 102.4-128.2 -85.9 -26.4 37.3 16.4 29.3 51 51 A G T <5S+ 0 0 68 -4,-2.3 2,-0.3 1,-0.3 -3,-0.2 0.821 75.6 65.1 83.6 31.4 35.8 17.1 32.7 52 52 A R S - 0 0 6 -2,-1.1 3,-1.6 -11,-0.2 -1,-0.2 0.657 35.1-144.0 -88.2 -25.4 42.8 21.7 30.6 55 55 A N T 3 S- 0 0 121 1,-0.3 3,-0.1 -3,-0.1 -2,-0.1 0.869 74.7 -55.6 61.2 31.0 44.0 25.1 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.514 119.8 98.3 80.0 2.8 43.7 24.1 26.1 57 57 A V B < -C 16 0B 63 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.982 46.1-179.8-126.6 136.2 46.0 21.0 26.4 58 58 A I - 0 0 5 -43,-2.0 2,-0.1 -2,-0.4 -30,-0.1 -0.848 26.3-111.0-125.4 169.2 45.2 17.3 26.8 59 59 A T > - 0 0 58 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.444 33.8-106.3 -88.9 172.2 47.0 14.1 27.1 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.883 119.9 53.4 -64.5 -37.9 47.1 11.3 24.5 61 61 A D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.869 107.8 49.7 -65.7 -40.8 44.8 9.2 26.6 62 62 A E H > S+ 0 0 35 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.913 109.7 51.6 -61.1 -44.8 42.3 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -34,-0.4 0.914 111.4 47.4 -57.9 -44.8 42.5 12.4 23.0 64 64 A E H X S+ 0 0 72 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.826 108.9 55.4 -68.2 -32.1 41.9 8.6 22.4 65 65 A K H X S+ 0 0 135 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.959 108.8 45.2 -65.4 -48.7 39.1 8.7 24.8 66 66 A L H X S+ 0 0 4 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.922 111.4 56.6 -57.1 -41.2 37.4 11.5 22.9 67 67 A F H X S+ 0 0 11 -4,-2.4 4,-2.6 -5,-0.2 5,-0.3 0.923 104.8 49.3 -58.3 -45.2 38.1 9.5 19.7 68 68 A N H X S+ 0 0 91 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.952 113.4 48.0 -57.5 -45.8 36.4 6.4 20.9 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.872 111.7 49.4 -62.5 -43.2 33.4 8.4 21.8 70 70 A D H X S+ 0 0 36 -4,-2.5 4,-1.5 -5,-0.2 -1,-0.2 0.880 111.3 47.9 -66.1 -38.5 33.4 10.2 18.5 71 71 A V H X S+ 0 0 5 -4,-2.6 4,-2.4 2,-0.2 3,-0.3 0.963 112.9 50.2 -66.9 -46.9 33.7 7.0 16.4 72 72 A D H X S+ 0 0 99 -4,-2.6 4,-2.8 -5,-0.3 5,-0.2 0.931 109.2 49.6 -55.9 -46.7 30.9 5.4 18.4 73 73 A A H X S+ 0 0 60 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.3 0.823 108.7 53.8 -59.9 -37.4 28.6 8.4 17.9 74 74 A A H X S+ 0 0 9 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.950 109.6 46.4 -66.7 -44.9 29.2 8.4 14.2 75 75 A V H X S+ 0 0 32 -4,-2.4 4,-2.4 1,-0.2 3,-0.4 0.972 114.2 48.6 -57.1 -57.0 28.2 4.8 13.8 76 76 A R H X S+ 0 0 129 -4,-2.8 4,-1.6 1,-0.2 -1,-0.2 0.836 106.7 57.0 -50.5 -39.6 25.2 5.3 16.0 77 77 A G H X S+ 0 0 11 -4,-2.1 4,-1.1 -5,-0.2 -1,-0.2 0.925 107.9 48.0 -60.2 -43.2 24.3 8.4 13.9 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-0.9 -3,-0.4 7,-0.4 0.956 111.2 49.7 -59.0 -53.4 24.2 6.3 10.8 79 79 A L H 3< S+ 0 0 67 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.748 110.9 49.5 -60.7 -31.3 22.1 3.6 12.3 80 80 A R H 3< S+ 0 0 191 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.614 92.2 94.3 -81.0 -17.5 19.7 6.1 13.6 81 81 A N > S+ 0 0 1 -6,-0.2 4,-2.7 1,-0.1 3,-0.7 0.859 97.5 71.0 -86.0 -35.4 21.6 6.0 5.6 85 85 A K H 3X S+ 0 0 92 -4,-2.7 4,-2.9 -7,-0.4 5,-0.2 0.883 98.1 48.0 -49.0 -44.1 21.0 2.9 7.6 86 86 A P H 3> S+ 0 0 58 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.858 112.5 49.0 -72.9 -27.4 19.9 0.8 4.7 87 87 A V H X> S+ 0 0 5 -3,-0.7 3,-0.8 -4,-0.5 4,-0.6 0.949 113.1 47.5 -72.7 -45.6 22.8 1.8 2.5 88 88 A Y H >< S+ 0 0 23 -4,-2.7 3,-1.2 1,-0.3 -1,-0.2 0.894 110.6 51.9 -61.7 -42.8 25.2 1.1 5.3 89 89 A D H 3< S+ 0 0 62 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.747 103.4 60.2 -68.2 -17.9 23.6 -2.3 5.9 90 90 A S H << S+ 0 0 39 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.613 95.3 76.8 -84.7 -12.5 23.9 -3.2 2.4 91 91 A X S << S- 0 0 5 -3,-1.2 31,-0.0 -4,-0.6 2,-0.0 -0.572 79.5-107.1-101.1 164.3 27.7 -2.9 2.2 92 92 A D > - 0 0 58 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.264 46.3 -93.8 -74.8 175.1 30.7 -5.0 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.775 119.8 51.9 -63.2 -36.6 32.9 -4.0 6.2 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.8 62,-0.2 -1,-0.2 0.935 112.0 46.6 -70.2 -43.9 35.5 -2.0 4.4 95 95 A R H > S+ 0 0 30 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.885 107.7 57.1 -65.6 -36.8 33.0 0.1 2.6 96 96 A R H X S+ 0 0 80 -4,-2.3 4,-2.4 2,-0.2 3,-0.2 0.949 103.8 55.2 -54.0 -41.6 31.2 0.6 5.9 97 97 A A H X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.3 -2,-0.2 0.904 104.3 53.7 -58.5 -47.0 34.4 2.0 7.2 98 98 A A H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.858 108.8 48.6 -56.9 -39.0 34.5 4.5 4.4 99 99 A X H X S+ 0 0 3 -4,-1.9 4,-2.0 -3,-0.2 -1,-0.2 0.872 108.6 52.7 -72.9 -33.6 31.1 5.7 5.2 100 100 A I H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.915 106.3 54.6 -65.6 -39.6 31.8 6.1 8.8 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 5,-0.3 0.959 108.4 49.6 -58.2 -47.1 34.9 8.2 7.9 102 102 A X H X S+ 0 0 6 -4,-1.9 4,-3.1 1,-0.2 5,-0.4 0.938 112.8 45.4 -53.7 -49.6 32.7 10.6 5.8 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.896 110.7 54.8 -64.9 -38.2 30.2 11.0 8.6 104 104 A F H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.917 116.8 36.9 -60.7 -38.8 33.0 11.6 11.1 105 105 A Q H < S+ 0 0 55 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.883 133.0 21.4 -81.6 -44.8 34.4 14.4 8.9 106 106 A X H X S- 0 0 41 -4,-3.1 4,-1.0 -5,-0.3 -3,-0.2 0.563 98.9-127.3-111.5 1.4 31.4 16.0 7.6 107 107 A G H >X - 0 0 27 -4,-2.2 4,-2.5 -5,-0.4 3,-0.8 0.184 39.4 -72.5 68.5 157.0 28.6 15.1 9.9 108 108 A E H 3> S+ 0 0 88 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.832 132.4 59.7 -50.7 -38.7 25.3 13.5 9.1 109 109 A T H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.836 109.7 38.7 -60.2 -43.9 24.3 16.9 7.6 110 110 A G H X< S+ 0 0 29 -4,-1.0 3,-0.9 -3,-0.8 -2,-0.2 0.828 117.8 48.6 -78.6 -36.0 27.1 17.0 5.1 111 111 A V H >< S+ 0 0 3 -4,-2.5 3,-2.3 1,-0.3 -2,-0.2 0.839 95.4 74.8 -70.6 -34.0 26.9 13.4 4.2 112 112 A A G >< S+ 0 0 46 -4,-2.0 3,-0.6 -5,-0.3 -1,-0.3 0.762 86.3 64.0 -47.3 -30.3 23.3 13.9 3.9 113 113 A G G < S+ 0 0 67 -3,-0.9 3,-0.3 -4,-0.3 -1,-0.3 0.447 82.0 78.9 -82.8 7.0 24.0 15.7 0.5 114 114 A F G <> + 0 0 25 -3,-2.3 4,-3.4 1,-0.2 5,-0.3 0.045 53.5 130.9-103.9 29.8 25.5 12.6 -1.2 115 115 A T H <> S+ 0 0 71 -3,-0.6 4,-2.5 1,-0.3 -1,-0.2 0.846 71.7 47.9 -45.0 -51.5 22.1 11.0 -2.0 116 116 A N H > S+ 0 0 88 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.945 113.5 47.2 -62.2 -45.9 22.7 10.3 -5.5 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.873 111.1 53.2 -62.3 -41.6 26.0 8.8 -4.7 118 118 A X H X S+ 0 0 15 -4,-3.4 4,-2.4 1,-0.2 -1,-0.2 0.875 103.8 55.9 -67.3 -31.2 24.4 6.8 -1.9 119 119 A R H X S+ 0 0 121 -4,-2.5 4,-1.3 -5,-0.3 -1,-0.2 0.946 109.3 46.1 -59.2 -47.4 21.8 5.5 -4.3 120 120 A X H <>S+ 0 0 25 -4,-1.7 5,-2.1 1,-0.2 4,-0.2 0.844 109.9 56.6 -66.4 -30.1 24.6 4.1 -6.6 121 121 A X H ><5S+ 0 0 4 -4,-2.2 3,-2.1 1,-0.3 -1,-0.2 0.949 104.2 50.6 -65.9 -44.9 26.3 2.7 -3.6 122 122 A Q H 3<5S+ 0 0 94 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.825 109.3 52.3 -60.3 -31.0 23.3 0.8 -2.7 123 123 A Q T 3<5S- 0 0 78 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.381 113.0-118.1 -86.3 4.3 23.1 -0.5 -6.1 124 124 A K T < 5 + 0 0 104 -3,-2.1 2,-1.6 -4,-0.2 3,-0.2 0.639 66.1 143.6 69.6 19.2 26.7 -1.7 -6.0 125 125 A R >< + 0 0 110 -5,-2.1 4,-2.0 1,-0.2 5,-0.2 -0.547 20.6 168.7 -88.6 75.2 27.7 0.7 -8.9 126 126 A W H > + 0 0 37 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.856 63.8 49.3 -58.6 -51.1 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 106 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 114.2 47.1 -61.0 -40.5 32.8 3.3 -10.3 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.812 109.4 51.9 -69.9 -41.3 30.0 5.6 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.929 109.2 53.1 -59.6 -38.5 29.5 6.4 -7.3 130 130 A A H X S+ 0 0 8 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.875 109.9 46.7 -65.4 -38.0 33.2 7.2 -7.1 131 131 A V H >X S+ 0 0 99 -4,-1.7 3,-0.8 1,-0.2 4,-0.6 0.960 112.1 49.9 -72.1 -45.4 32.9 9.5 -9.9 132 132 A N H >< S+ 0 0 45 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.894 106.3 56.5 -57.8 -40.7 29.8 11.2 -8.5 133 133 A X H 3< S+ 0 0 1 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.811 98.0 62.0 -64.1 -24.9 31.5 11.7 -5.1 134 134 A A H << S+ 0 0 27 -4,-1.0 2,-1.8 -3,-0.8 -1,-0.2 0.708 84.7 80.4 -75.1 -15.7 34.4 13.6 -6.6 135 135 A K S << S+ 0 0 177 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.529 80.9 94.5 -85.5 69.5 32.0 16.2 -7.8 136 136 A S S > S- 0 0 19 -2,-1.8 4,-1.8 1,-0.1 5,-0.2 -1.000 85.8-114.0-157.8 159.4 31.7 17.9 -4.5 137 137 A R H > S+ 0 0 140 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.896 115.0 64.4 -62.4 -35.5 33.1 20.7 -2.3 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.951 104.3 43.2 -49.8 -53.3 34.4 17.9 -0.1 139 139 A Y H 4 S+ 0 0 63 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 114.6 50.6 -64.4 -38.6 36.7 16.6 -2.8 140 140 A N H < S+ 0 0 111 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.800 114.9 42.6 -70.8 -29.8 37.9 20.1 -3.9 141 141 A Q H < S+ 0 0 99 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.829 131.6 18.4 -82.9 -40.9 38.7 21.1 -0.4 142 142 A T S X S+ 0 0 19 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 -0.614 73.6 163.0-131.0 72.9 40.4 18.1 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-3.2 0, 0.0 5,-0.2 0.894 68.9 52.8 -66.0 -42.0 41.4 16.2 -2.2 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.942 115.6 40.7 -63.2 -43.4 44.0 13.8 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.951 114.0 53.5 -67.3 -45.1 41.7 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.3 5,-0.3 0.940 107.9 51.8 -54.3 -47.7 38.7 12.5 -0.4 147 147 A K H X S+ 0 0 96 -4,-3.2 4,-2.5 1,-0.2 -1,-0.3 0.890 107.7 51.2 -55.5 -44.7 40.7 10.4 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.928 114.0 43.9 -59.6 -46.4 41.6 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.934 112.4 52.2 -66.0 -44.0 38.0 7.5 1.0 150 150 A I H X S+ 0 0 15 -4,-3.0 4,-2.9 -5,-0.2 -2,-0.2 0.918 109.3 49.9 -58.5 -42.9 36.7 7.3 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.6 -5,-0.3 6,-0.5 0.835 110.2 50.4 -65.4 -35.4 39.1 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-1.9 -5,-0.2 -1,-0.2 0.914 113.0 46.2 -67.6 -40.8 38.2 2.6 -0.5 153 153 A X H < S+ 0 0 1 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.916 116.9 45.9 -63.6 -43.7 34.5 3.0 -1.4 154 154 A R H < S+ 0 0 90 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.901 124.7 26.8 -66.6 -49.7 35.2 2.1 -4.9 155 155 A T H < S- 0 0 47 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.581 86.3-135.6 -88.6 -26.6 37.5 -1.0 -4.4 156 156 A G S < S+ 0 0 15 -4,-1.9 2,-0.3 -5,-0.3 -62,-0.2 0.729 72.3 102.7 71.2 17.4 36.4 -2.3 -1.1 157 157 A T S S- 0 0 47 -6,-0.5 3,-0.3 -5,-0.2 -1,-0.2 -0.820 78.4-121.9-124.0 174.1 40.1 -2.7 -0.1 158 158 A W S > S+ 0 0 40 -2,-0.3 3,-2.3 1,-0.2 4,-0.4 0.168 70.8 120.6 -99.4 15.3 42.5 -0.8 2.1 159 159 A D G > + 0 0 99 1,-0.3 3,-1.8 2,-0.2 -1,-0.2 0.855 67.6 59.3 -54.7 -33.9 45.0 -0.1 -0.7 160 160 A A G 3 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.704 104.9 50.9 -69.4 -13.8 44.8 3.6 -0.4 161 161 A Y G < 0 0 26 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.493 360.0 360.0-104.0 1.4 45.9 3.4 3.1 162 162 A K < 0 0 194 -3,-1.8 -2,-0.2 -4,-0.4 -3,-0.1 0.819 360.0 360.0-100.8 360.0 49.0 1.2 2.4