==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-JUN-99 1QTC . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.LIU,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) . 8632.0 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 2 0 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 79 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 138.1 43.3 -2.1 9.3 2 2 A N > - 0 0 66 1,-0.1 4,-3.2 95,-0.0 5,-0.2 -0.952 360.0 -75.3-151.8-177.8 40.1 -0.7 10.6 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.797 125.9 52.6 -51.0 -41.6 38.1 2.5 11.1 4 4 A F H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.976 113.7 41.8 -59.8 -56.6 40.2 3.5 14.0 5 5 A E H > S+ 0 0 96 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.932 115.7 54.9 -53.9 -44.3 43.5 3.1 12.1 6 6 A M H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.952 112.1 37.7 -59.4 -54.3 41.8 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.817 108.5 61.7 -72.7 -26.3 40.7 7.8 10.6 8 8 A R H X S+ 0 0 109 -4,-2.2 4,-2.8 -5,-0.3 -1,-0.2 0.946 111.2 43.6 -63.7 -41.0 43.7 8.3 12.8 9 9 A I H < S+ 0 0 86 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.929 113.9 47.4 -65.1 -50.2 45.6 8.5 9.6 10 10 A D H < S+ 0 0 18 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.830 126.8 29.5 -61.4 -30.0 43.1 10.7 7.8 11 11 A E H < S- 0 0 44 -4,-2.6 19,-0.4 -5,-0.1 -2,-0.2 0.549 92.1-154.0-107.8 -17.8 42.9 13.1 10.9 12 12 A G < - 0 0 23 -4,-2.8 2,-0.5 -5,-0.2 18,-0.1 0.108 25.2 -79.3 65.2 178.7 46.3 13.0 12.6 13 13 A L + 0 0 46 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.917 42.0 170.8-132.1 121.9 46.9 13.7 16.2 14 14 A R E -A 28 0A 118 14,-1.3 14,-2.0 -2,-0.5 4,-0.1 -0.973 19.3-167.4-122.9 133.7 47.2 17.0 18.0 15 15 A L E S+ 0 0 63 -2,-0.4 43,-3.0 12,-0.1 2,-0.3 0.530 75.7 62.7 -94.2 -4.4 47.4 17.6 21.8 16 16 A K E S-C 57 0B 108 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.873 97.2 -87.7-124.9 148.0 46.8 21.3 21.4 17 17 A I E + 0 0 15 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.194 54.6 170.4 -54.3 145.9 44.1 23.4 20.1 18 18 A Y E -A 26 0A 31 8,-2.1 8,-4.4 6,-0.1 2,-0.4 -0.971 32.5-117.7-156.9 162.3 44.3 23.9 16.5 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.800 28.2-143.7-102.9 139.7 42.5 25.3 13.7 20 20 A D - 0 0 54 4,-1.0 -1,-0.1 -2,-0.4 6,-0.0 0.097 38.8 -81.8 -84.2-156.1 41.4 23.1 10.7 21 21 A T S S+ 0 0 98 1,-0.2 -1,-0.0 2,-0.1 -2,-0.0 0.692 135.5 49.1 -79.8 -30.0 41.2 23.8 6.9 22 22 A E S S- 0 0 92 2,-0.1 -1,-0.2 0, 0.0 -3,-0.0 0.558 124.4-112.5 -83.8 -12.6 37.8 25.4 7.6 23 23 A G + 0 0 33 1,-0.2 2,-0.4 14,-0.0 -2,-0.1 0.761 66.3 145.4 83.9 33.9 39.6 27.4 10.3 24 24 A Y - 0 0 70 1,-0.1 -4,-1.0 13,-0.0 -1,-0.2 -0.782 57.1 -98.3-106.9 146.1 37.8 25.9 13.3 25 25 A Y E +AB 19 34A 28 9,-0.8 8,-2.4 11,-0.5 9,-0.9 -0.281 56.5 160.0 -61.1 124.6 38.9 25.1 16.7 26 26 A T E -AB 18 32A 5 -8,-4.4 -8,-2.1 6,-0.2 2,-0.3 -0.945 19.2-170.5-143.8 166.5 39.8 21.5 16.9 27 27 A I E > - B 0 31A 0 4,-1.2 4,-2.3 -2,-0.3 2,-0.2 -0.998 48.5 -5.2-159.8 158.0 41.8 18.9 18.9 28 28 A G E 4 S-A 14 0A 0 -14,-2.0 -14,-1.3 -2,-0.3 2,-0.9 -0.423 121.6 -1.5 65.0-124.5 43.1 15.4 19.1 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.633 129.2 -55.4-104.1 68.5 41.9 13.1 16.3 30 30 A G T 4 S+ 0 0 17 -2,-0.9 2,-1.2 -19,-0.4 -2,-0.2 0.749 83.8 164.2 63.8 36.7 39.7 15.5 14.5 31 31 A H E < -B 27 0A 35 -4,-2.3 -4,-1.2 1,-0.0 2,-0.2 -0.682 31.5-138.9 -91.5 98.1 37.6 16.3 17.5 32 32 A L E -B 26 0A 76 -2,-1.2 -6,-0.2 -6,-0.2 3,-0.1 -0.279 22.8-179.6 -58.4 120.2 35.7 19.5 16.6 33 33 A L E - 0 0 13 -8,-2.4 2,-0.3 1,-0.3 -7,-0.2 0.989 56.7 -30.8 -80.7 -70.6 35.4 21.9 19.4 34 34 A T E -B 25 0A 29 -9,-0.9 -9,-0.8 2,-0.2 -1,-0.3 -0.995 32.4-136.2-154.5 151.4 33.5 24.8 18.1 35 35 A K S S+ 0 0 148 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.607 78.4 104.7 -86.0 -8.3 32.7 26.7 15.0 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.5 2,-0.1 -2,-0.2 -0.403 75.0-130.0 -75.7 153.5 33.1 29.9 16.9 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.135 74.3 106.5 -92.1 33.3 36.1 32.2 16.6 38 38 A S > - 0 0 39 1,-0.2 4,-3.0 2,-0.0 5,-0.4 -0.849 53.1-163.1-119.9 101.5 36.8 32.5 20.3 39 39 A L H > S+ 0 0 60 -2,-0.6 4,-2.6 1,-0.2 -1,-0.2 0.828 96.0 57.2 -48.3 -29.2 39.6 30.6 21.5 40 40 A N H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 3,-0.4 0.998 104.1 48.6 -65.4 -57.6 38.1 31.1 24.8 41 41 A A H > S+ 0 0 36 1,-0.3 4,-2.0 2,-0.2 5,-0.3 0.860 112.4 51.3 -45.6 -40.5 34.9 29.5 23.8 42 42 A A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 -1,-0.3 0.911 106.6 53.4 -70.1 -36.8 37.0 26.7 22.4 43 43 A K H X S+ 0 0 55 -4,-2.6 4,-2.6 -3,-0.4 -2,-0.2 0.967 108.4 50.2 -62.9 -43.7 38.8 26.4 25.7 44 44 A S H X S+ 0 0 72 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.948 111.0 46.9 -58.6 -51.5 35.5 26.0 27.6 45 45 A E H X S+ 0 0 66 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.865 110.5 54.2 -58.7 -38.9 34.1 23.3 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.0 -5,-0.3 5,-0.3 0.974 110.4 45.9 -62.5 -44.2 37.3 21.6 25.6 47 47 A D H X>S+ 0 0 33 -4,-2.6 4,-2.9 1,-0.2 5,-1.0 0.935 110.7 51.9 -58.3 -47.8 37.1 21.7 29.4 48 48 A K H <5S+ 0 0 149 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.0 47.2 -55.4 -41.3 33.6 20.6 29.5 49 49 A A H <5S+ 0 0 46 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.830 117.4 38.6 -74.2 -32.5 34.5 17.7 27.3 50 50 A I H <5S- 0 0 32 -4,-2.0 -2,-0.2 2,-0.3 -1,-0.2 0.816 103.3-129.7 -89.3 -26.4 37.6 16.6 29.1 51 51 A G T <5S+ 0 0 62 -4,-2.9 2,-0.3 1,-0.3 -3,-0.2 0.650 75.2 69.3 85.4 23.6 36.0 17.2 32.4 52 52 A R S - 0 0 10 -2,-0.9 3,-1.4 -11,-0.2 -1,-0.2 0.800 26.7-150.8 -91.5 -28.8 42.7 22.0 30.4 55 55 A N T 3 S- 0 0 129 1,-0.2 -2,-0.1 -12,-0.1 -12,-0.1 0.933 76.0 -52.1 55.6 44.5 44.2 25.3 29.5 56 56 A G T 3 S+ 0 0 0 -13,-0.1 -39,-1.2 1,-0.1 2,-0.4 0.334 117.3 88.4 77.5 -4.0 44.2 24.3 25.8 57 57 A V B < -C 16 0B 66 -3,-1.4 -41,-0.2 -41,-0.2 2,-0.2 -0.952 44.6-177.5-138.3 144.9 46.0 21.0 26.0 58 58 A I - 0 0 5 -43,-3.0 2,-0.2 -2,-0.4 -30,-0.1 -0.603 25.3-110.6-119.1-179.1 45.2 17.4 26.5 59 59 A T > - 0 0 60 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.616 34.1-102.4-106.0 169.8 47.0 14.2 26.7 60 60 A K H > S+ 0 0 120 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.929 122.6 49.9 -54.8 -48.3 47.1 11.2 24.3 61 61 A D H > S+ 0 0 114 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.882 109.0 51.7 -60.4 -38.6 44.8 9.2 26.4 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.861 110.1 50.4 -62.3 -39.8 42.4 12.1 26.5 63 63 A A H X S+ 0 0 1 -4,-2.2 4,-2.2 1,-0.2 -34,-0.4 0.878 109.2 51.2 -62.6 -44.2 42.5 12.3 22.8 64 64 A E H X S+ 0 0 82 -4,-2.7 4,-3.1 2,-0.2 -2,-0.2 0.878 107.2 52.1 -67.1 -40.8 41.9 8.7 22.5 65 65 A K H X S+ 0 0 140 -4,-2.2 4,-2.0 2,-0.2 5,-0.3 0.960 110.1 48.2 -62.0 -51.0 38.8 8.8 24.8 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.937 113.1 51.8 -51.3 -45.6 37.2 11.6 22.7 67 67 A F H X S+ 0 0 12 -4,-2.2 4,-3.0 1,-0.2 5,-0.4 0.941 105.8 50.0 -59.2 -54.2 38.1 9.5 19.6 68 68 A N H X S+ 0 0 89 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.859 115.6 45.5 -54.7 -33.0 36.5 6.3 20.7 69 69 A Q H X S+ 0 0 93 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.857 109.6 54.0 -76.7 -36.9 33.3 8.3 21.6 70 70 A D H X S+ 0 0 32 -4,-2.4 4,-1.8 -5,-0.3 -2,-0.2 0.891 111.3 45.0 -62.2 -45.8 33.5 10.2 18.4 71 71 A V H X S+ 0 0 7 -4,-3.0 4,-2.8 2,-0.2 5,-0.2 0.882 113.8 51.6 -67.7 -36.9 33.6 6.9 16.4 72 72 A D H X S+ 0 0 77 -4,-1.7 4,-2.7 -5,-0.4 5,-0.3 0.969 107.7 49.6 -66.9 -43.3 30.8 5.5 18.6 73 73 A A H X S+ 0 0 43 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.953 110.1 52.9 -57.3 -42.9 28.6 8.4 18.1 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.948 108.4 50.3 -61.9 -45.5 29.2 8.1 14.3 75 75 A V H >X S+ 0 0 31 -4,-2.8 4,-2.1 1,-0.2 3,-0.6 0.971 113.1 44.4 -56.8 -51.5 28.2 4.6 14.3 76 76 A R H 3X S+ 0 0 119 -4,-2.7 4,-1.8 1,-0.3 -2,-0.2 0.891 108.3 57.8 -62.0 -37.4 25.0 5.2 16.2 77 77 A G H 3< S+ 0 0 4 -4,-3.2 -1,-0.3 -5,-0.3 4,-0.3 0.856 107.4 49.0 -62.3 -30.5 24.2 8.1 14.1 78 78 A I H X< S+ 0 0 0 -4,-1.6 3,-2.1 -3,-0.6 7,-0.5 0.987 111.2 48.0 -68.9 -52.6 24.3 5.9 11.1 79 79 A L H 3< S+ 0 0 80 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.613 113.9 48.7 -58.9 -24.1 22.1 3.2 12.8 80 80 A R T 3< S+ 0 0 159 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.351 91.5 96.3 -98.7 -5.4 19.6 5.8 13.8 81 81 A N <> - 0 0 28 -3,-2.1 4,-2.8 -4,-0.3 -4,-0.0 -0.785 61.5-154.3 -94.8 126.9 19.5 7.4 10.4 82 82 A A T 4 S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.749 99.2 40.7 -68.5 -23.3 16.7 6.4 8.1 83 83 A K T > S+ 0 0 117 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.892 120.0 44.2 -89.7 -36.6 18.6 7.2 5.1 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.9 -7,-0.2 5,-0.2 0.823 98.4 67.8 -74.9 -42.9 21.9 5.8 6.3 85 85 A K H X S+ 0 0 84 -4,-2.8 4,-4.3 -7,-0.5 -1,-0.2 0.848 99.2 44.2 -47.6 -57.1 21.1 2.5 7.9 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.2 0, 0.0 5,-0.2 0.966 114.6 52.1 -62.4 -49.2 20.0 0.4 5.0 87 87 A V H >X S+ 0 0 1 -4,-0.7 3,-1.3 2,-0.2 4,-1.2 0.959 114.4 42.3 -46.5 -56.0 22.9 1.7 3.0 88 88 A Y H >< S+ 0 0 32 -4,-2.9 3,-1.3 1,-0.3 -1,-0.2 0.978 112.5 54.1 -55.5 -52.6 25.1 0.8 5.8 89 89 A D H 3< S+ 0 0 74 -4,-4.3 -1,-0.3 1,-0.3 -2,-0.2 0.608 108.2 51.9 -59.1 -13.2 23.4 -2.5 6.3 90 90 A S H << S+ 0 0 42 -3,-1.3 -1,-0.3 -4,-1.2 -2,-0.2 0.648 93.4 85.1-102.1 -14.6 23.9 -3.3 2.7 91 91 A L S << S- 0 0 5 -3,-1.3 2,-0.1 -4,-1.2 31,-0.0 -0.422 77.0-115.4 -82.6 158.7 27.6 -2.8 2.4 92 92 A D > - 0 0 57 -2,-0.1 4,-1.4 1,-0.0 -1,-0.1 -0.181 47.4 -86.5 -77.8-178.8 30.4 -5.2 3.1 93 93 A A H > S+ 0 0 75 2,-0.2 4,-1.0 1,-0.2 -2,-0.1 0.724 121.3 50.9 -67.3 -34.3 32.9 -4.3 6.0 94 94 A V H > S+ 0 0 23 62,-0.3 4,-1.5 1,-0.2 3,-0.5 0.936 112.1 48.0 -70.5 -45.6 35.5 -2.2 4.2 95 95 A R H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.871 104.1 58.2 -65.9 -33.0 32.9 0.0 2.7 96 96 A R H X S+ 0 0 76 -4,-1.4 4,-2.8 1,-0.2 -1,-0.2 0.899 103.7 56.2 -63.9 -31.6 31.0 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.0 4,-3.3 -3,-0.5 -1,-0.2 0.872 106.0 49.0 -60.6 -42.9 34.2 1.9 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.905 110.8 50.1 -66.5 -38.6 34.3 4.4 4.6 99 99 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 5,-0.2 0.906 111.5 49.8 -64.9 -42.2 30.7 5.4 5.3 100 100 A I H X S+ 0 0 10 -4,-2.8 4,-2.8 -5,-0.3 -2,-0.2 0.966 105.2 56.4 -64.6 -44.8 31.7 5.7 8.8 101 101 A N H X S+ 0 0 0 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.885 110.7 45.3 -50.3 -43.7 34.7 7.9 8.0 102 102 A M H X S+ 0 0 5 -4,-1.9 4,-4.0 2,-0.2 5,-0.4 0.864 110.4 51.3 -71.6 -39.7 32.4 10.4 6.1 103 103 A V H X S+ 0 0 8 -4,-2.4 4,-3.2 2,-0.2 -2,-0.2 0.932 109.3 52.4 -62.6 -41.0 29.9 10.5 8.8 104 104 A F H < S+ 0 0 33 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.901 116.4 41.8 -53.9 -44.1 32.7 11.2 11.3 105 105 A Q H < S+ 0 0 69 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.925 132.2 14.9 -74.8 -48.5 33.8 14.0 9.0 106 106 A M H X S- 0 0 53 -4,-4.0 4,-0.7 -5,-0.1 -3,-0.2 0.570 98.8-110.4-113.3 -5.3 30.4 15.5 8.1 107 107 A G H X - 0 0 25 -4,-3.2 4,-3.1 -5,-0.4 5,-0.4 0.187 34.6 -82.7 91.0 143.9 27.7 14.4 10.2 108 108 A E H > S+ 0 0 46 1,-0.3 4,-3.5 2,-0.2 -1,-0.2 0.832 129.2 50.2 -45.0 -50.6 24.7 12.2 9.6 109 109 A T H > S+ 0 0 115 2,-0.2 4,-1.3 3,-0.2 -1,-0.3 0.943 110.7 47.0 -60.9 -52.1 22.9 15.0 8.2 110 110 A G H >< S+ 0 0 36 -4,-0.7 3,-1.5 1,-0.2 -2,-0.2 0.978 118.3 42.1 -55.5 -56.0 25.6 16.1 5.8 111 111 A V H >< S+ 0 0 1 -4,-3.1 3,-2.0 1,-0.3 -2,-0.2 0.923 108.0 60.6 -62.2 -39.0 26.2 12.7 4.7 112 112 A A H 3< S+ 0 0 19 -4,-3.5 -1,-0.3 -5,-0.4 -2,-0.2 0.777 93.5 66.6 -62.8 -18.9 22.5 12.0 4.5 113 113 A G T << S+ 0 0 58 -3,-1.5 2,-1.1 -4,-1.3 -1,-0.3 0.486 75.0 87.1 -80.6 1.3 22.1 14.8 2.0 114 114 A F <> + 0 0 45 -3,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.420 53.0 156.6 -88.9 48.8 24.1 12.9 -0.8 115 115 A T H > + 0 0 82 -2,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.803 63.8 49.3 -56.6 -26.9 21.0 11.2 -1.8 116 116 A N H > S+ 0 0 108 -3,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.907 112.7 45.8 -78.5 -43.7 22.1 10.5 -5.3 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.895 107.9 60.5 -67.8 -25.8 25.4 9.0 -4.4 118 118 A L H X S+ 0 0 9 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.871 104.4 47.8 -64.8 -40.5 23.6 7.0 -1.7 119 119 A R H X S+ 0 0 114 -4,-1.2 4,-2.1 2,-0.2 5,-0.2 0.951 111.1 50.8 -64.1 -48.2 21.4 5.2 -4.2 120 120 A M H >X>S+ 0 0 28 -4,-1.8 5,-1.5 1,-0.3 4,-1.3 0.969 108.3 50.3 -53.9 -56.5 24.3 4.4 -6.4 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-0.6 1,-0.3 -1,-0.3 0.889 109.0 56.6 -50.0 -34.5 26.2 3.0 -3.4 122 122 A Q H 3<5S+ 0 0 103 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.3 0.901 106.0 46.6 -64.8 -38.2 23.0 1.1 -2.9 123 123 A Q H <<5S- 0 0 98 -4,-2.1 -1,-0.2 -3,-0.8 -2,-0.2 0.544 112.1-120.0 -78.5 -7.2 23.1 -0.4 -6.3 124 124 A K T <<5 + 0 0 88 -4,-1.3 2,-1.4 -3,-0.6 -3,-0.2 0.732 61.5 151.7 68.1 31.2 26.7 -1.3 -5.8 125 125 A R >< + 0 0 78 -5,-1.5 4,-2.0 1,-0.2 3,-0.3 -0.592 15.5 172.0 -91.1 71.2 27.6 0.9 -8.8 126 126 A W H > + 0 0 49 -2,-1.4 4,-2.0 1,-0.2 5,-0.2 0.896 64.8 54.0 -48.6 -61.4 31.0 1.8 -7.6 127 127 A D H > S+ 0 0 102 1,-0.2 4,-1.4 -3,-0.2 -1,-0.2 0.857 113.8 40.3 -49.8 -41.0 32.5 3.6 -10.5 128 128 A E H > S+ 0 0 86 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.833 109.0 54.4 -83.4 -34.9 29.7 6.1 -10.9 129 129 A F H X S+ 0 0 3 -4,-2.0 4,-4.5 1,-0.2 5,-0.3 0.911 109.4 55.7 -61.5 -35.0 29.0 6.9 -7.3 130 130 A A H X S+ 0 0 11 -4,-2.0 4,-1.1 -5,-0.3 -2,-0.2 0.923 106.5 46.2 -62.2 -44.5 32.7 7.7 -7.3 131 131 A V H < S+ 0 0 102 -4,-1.4 4,-0.5 -5,-0.2 3,-0.3 0.928 114.0 51.8 -64.9 -37.9 32.4 10.0 -10.1 132 132 A N H >< S+ 0 0 47 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.946 103.1 54.1 -64.2 -49.4 29.5 11.5 -8.4 133 133 A L H 3< S+ 0 0 0 -4,-4.5 6,-0.6 1,-0.3 3,-0.3 0.792 100.2 65.3 -59.7 -20.0 31.1 12.0 -5.0 134 134 A A T 3< S+ 0 0 32 -4,-1.1 2,-0.9 -3,-0.3 -1,-0.3 0.682 84.5 70.7 -73.7 -20.8 33.9 14.0 -6.8 135 135 A K S < S+ 0 0 188 -3,-2.0 2,-0.3 -4,-0.5 -1,-0.3 -0.416 85.1 114.1 -90.8 51.6 31.5 16.7 -7.8 136 136 A S S > S- 0 0 11 -2,-0.9 4,-2.0 -3,-0.3 5,-0.3 -0.935 76.8-132.8-129.9 146.9 31.4 17.7 -4.2 137 137 A R H > S+ 0 0 157 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.913 114.3 58.9 -57.5 -33.6 32.5 20.6 -2.2 138 138 A W H > S+ 0 0 19 2,-0.2 4,-1.6 1,-0.2 3,-0.2 0.957 102.0 48.4 -57.2 -58.8 33.9 17.9 -0.0 139 139 A Y H 4 S+ 0 0 58 -6,-0.6 -1,-0.2 1,-0.2 -2,-0.2 0.903 117.6 42.0 -55.7 -40.8 36.1 16.4 -2.7 140 140 A N H < S+ 0 0 99 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.725 108.1 58.1 -79.2 -25.5 37.6 19.8 -3.7 141 141 A Q H < S+ 0 0 93 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.877 132.7 5.6 -71.3 -31.0 38.0 21.2 -0.3 142 142 A T S X S+ 0 0 33 -4,-1.6 4,-2.5 -5,-0.2 -1,-0.2 -0.576 74.5 171.4-151.8 68.7 40.2 18.2 0.6 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.864 71.0 52.6 -52.9 -49.0 40.9 16.1 -2.4 144 144 A N H > S+ 0 0 106 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.960 114.9 41.0 -60.7 -51.5 43.5 13.6 -1.2 145 145 A R H >> S+ 0 0 16 1,-0.2 4,-2.7 2,-0.2 3,-0.8 0.973 114.1 52.5 -55.7 -54.4 41.6 12.6 1.8 146 146 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.3 -1,-0.2 0.821 107.3 56.4 -46.0 -38.7 38.4 12.5 -0.2 147 147 A K H 3X S+ 0 0 101 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.3 0.872 104.7 49.9 -66.8 -39.7 40.2 10.3 -2.7 148 148 A R H S+ 0 0 46 -2,-0.2 3,-1.6 1,-0.2 4,-0.5 0.116 70.5 120.8 -99.8 15.9 42.2 -0.8 1.9 159 159 A D G > + 0 0 98 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.903 67.5 61.8 -50.8 -45.0 44.7 -0.0 -0.8 160 160 A A G 3 S+ 0 0 38 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.739 107.3 46.2 -51.3 -27.5 44.4 3.7 -0.5 161 161 A Y G < 0 0 22 -3,-1.6 -1,-0.3 -13,-0.1 -2,-0.2 0.309 360.0 360.0 -98.1 -0.7 45.7 3.5 3.1 162 162 A K < 0 0 194 -3,-2.3 -2,-0.2 -4,-0.5 -3,-0.1 0.750 360.0 360.0-107.5 360.0 48.7 1.2 2.5