==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 17-DEC-92 109L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 83 51.2 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 2 1 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 64 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 156.2 43.4 -1.8 9.0 2 2 A N > - 0 0 67 1,-0.0 4,-2.7 156,-0.0 5,-0.2 -0.944 360.0 -89.3-149.0 169.1 40.3 -0.7 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.841 123.9 51.2 -46.8 -46.5 38.1 2.3 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.929 113.4 42.5 -62.6 -47.2 40.2 3.6 14.2 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.886 113.8 53.7 -70.1 -31.6 43.5 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 3,-0.2 0.945 113.0 41.6 -67.1 -50.9 41.9 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.4 0.838 110.4 57.6 -66.2 -32.0 40.5 7.9 10.9 8 8 A R H X S+ 0 0 100 -4,-1.7 4,-1.6 -5,-0.3 -1,-0.2 0.886 108.9 46.5 -66.9 -32.2 43.7 8.3 12.8 9 9 A I H < S+ 0 0 83 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.933 116.1 46.0 -72.3 -43.7 45.5 8.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.3 -2,-0.2 1,-0.2 -3,-0.2 0.842 126.1 26.5 -69.5 -33.1 42.9 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.7 19,-0.3 -5,-0.1 -1,-0.2 0.678 89.3-153.3-107.4 -23.6 42.8 13.2 11.1 12 12 A G < - 0 0 21 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.179 28.1 -85.3 75.2-175.1 46.2 13.0 12.8 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 41.7 175.4-137.6 124.6 46.6 13.6 16.5 14 14 A R E -A 28 0A 138 14,-1.6 14,-2.2 -2,-0.4 4,-0.1 -0.996 18.1-162.5-132.5 135.0 47.1 17.0 18.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-1.8 12,-0.2 2,-0.3 0.315 74.8 61.3 -99.3 4.2 47.3 17.6 21.9 16 16 A K E S-C 57 0B 145 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.941 100.7 -87.3-129.7 147.1 46.7 21.3 21.8 17 17 A I E + 0 0 31 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.243 58.3 170.4 -49.1 138.0 43.6 23.2 20.5 18 18 A Y E -A 26 0A 30 8,-3.4 8,-2.5 -4,-0.1 2,-0.4 -0.925 36.1-102.6-144.5 170.0 44.1 23.8 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.824 35.0-137.4 -98.4 138.8 42.1 25.0 13.8 20 20 A D > - 0 0 51 4,-2.9 3,-1.3 -2,-0.4 -1,-0.1 -0.022 41.3 -79.7 -75.6-173.7 40.7 22.4 11.4 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.680 134.1 48.3 -65.1 -19.2 40.7 22.7 7.6 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.430 124.7-101.0 -97.0 -9.5 37.6 24.9 7.9 23 23 A G S < S+ 0 0 36 -3,-1.3 2,-0.4 1,-0.3 -2,-0.1 0.490 76.0 140.3 97.4 15.0 39.1 27.1 10.5 24 24 A Y - 0 0 73 1,-0.1 -4,-2.9 -5,-0.0 -1,-0.3 -0.751 59.6-103.7 -96.6 145.2 37.3 25.6 13.5 25 25 A Y E +AB 19 34A 37 9,-0.5 8,-2.6 11,-0.4 9,-1.5 -0.369 53.2 158.7 -64.9 127.9 38.7 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-2.5 -8,-3.4 6,-0.3 2,-0.3 -0.872 19.2-169.5-144.9 163.2 39.5 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.3 4,-1.9 -2,-0.3 -12,-0.2 -0.972 52.1 5.7-153.1 162.4 41.6 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.2 -14,-1.6 -2,-0.3 2,-1.0 -0.405 122.1 -5.5 70.6-136.6 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.641 127.3 -54.6 -98.4 70.1 41.8 13.1 16.8 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.807 83.2 162.6 69.1 27.8 39.6 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-1.3 1,-0.0 -1,-0.2 -0.696 32.7-141.1 -83.7 102.4 37.3 16.2 17.8 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.397 20.5-177.8 -62.0 128.4 35.4 19.5 16.8 33 33 A L E - 0 0 14 -8,-2.6 2,-0.3 1,-0.4 -7,-0.2 0.880 58.0 -32.1 -92.9 -46.5 35.1 21.7 19.8 34 34 A T E -B 25 0A 29 -9,-1.5 -9,-0.5 2,-0.1 -1,-0.4 -0.971 33.3-135.1-169.9 156.0 33.1 24.6 18.4 35 35 A K S S+ 0 0 130 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.521 73.5 110.8 -94.2 -12.4 32.4 26.6 15.4 36 36 A S S S- 0 0 46 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.325 73.4-131.0 -61.5 149.2 32.5 29.9 17.3 37 37 A P S S+ 0 0 119 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.575 76.7 108.2 -77.9 -6.9 35.5 32.1 16.5 38 38 A S > - 0 0 46 1,-0.2 4,-1.3 2,-0.1 -2,-0.1 -0.613 54.6-163.5 -80.8 121.8 36.2 32.4 20.2 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.2 1,-0.2 5,-0.2 0.807 94.6 53.2 -68.1 -31.1 39.2 30.6 21.5 40 40 A N H > S+ 0 0 107 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.886 103.7 53.1 -74.3 -35.3 37.9 31.0 25.0 41 41 A A H > S+ 0 0 17 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.829 110.4 52.0 -65.0 -28.0 34.6 29.6 24.0 42 42 A A H X S+ 0 0 0 -4,-1.3 4,-2.6 2,-0.2 -2,-0.2 0.894 106.2 51.2 -71.7 -43.5 36.7 26.6 22.7 43 43 A K H X S+ 0 0 54 -4,-2.2 4,-2.0 1,-0.2 11,-0.3 0.833 110.7 51.6 -64.1 -30.4 38.7 26.1 26.0 44 44 A K H X S+ 0 0 124 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.860 107.8 48.6 -77.6 -33.0 35.4 26.1 27.8 45 45 A E H X S+ 0 0 71 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.896 111.3 54.7 -70.1 -36.6 33.9 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 5,-0.3 0.921 107.1 46.2 -61.6 -49.2 37.1 21.5 26.1 47 47 A D H X>S+ 0 0 31 -4,-2.0 4,-3.4 1,-0.2 5,-1.1 0.941 113.3 50.9 -59.3 -42.4 37.0 21.5 29.9 48 48 A K H <5S+ 0 0 146 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.871 110.5 49.0 -62.9 -35.4 33.4 20.5 29.8 49 49 A A H <5S+ 0 0 44 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.883 122.2 33.6 -71.9 -33.0 34.3 17.7 27.4 50 50 A I H <5S- 0 0 38 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.620 100.3-127.7 -96.9 -21.8 37.2 16.4 29.6 51 51 A G T <5S+ 0 0 70 -4,-3.4 2,-0.3 -5,-0.3 -3,-0.2 0.848 77.9 75.1 76.5 28.4 35.8 17.3 33.1 52 52 A R S - 0 0 12 -2,-0.9 3,-0.6 -11,-0.3 -1,-0.2 0.780 35.1-141.4 -95.7 -30.6 42.8 21.8 30.9 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.876 75.3 -55.8 68.6 33.8 44.0 25.2 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.2 1,-0.2 2,-0.4 0.568 117.5 101.4 76.0 10.9 43.7 23.9 26.2 57 57 A V B < +C 16 0B 59 -3,-0.6 2,-0.3 -41,-0.2 -41,-0.2 -0.987 43.6 178.4-128.6 140.3 46.0 20.9 26.5 58 58 A I - 0 0 4 -43,-1.8 2,-0.2 -2,-0.4 -30,-0.1 -0.826 25.7-113.6-130.1 167.5 45.0 17.3 26.9 59 59 A T > - 0 0 62 -2,-0.3 4,-2.6 1,-0.1 3,-0.3 -0.580 35.0-101.0 -97.0 169.3 46.9 14.0 27.2 60 60 A K H > S+ 0 0 109 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 123.5 52.0 -55.7 -42.6 47.1 11.1 24.8 61 61 A D H > S+ 0 0 119 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.838 109.3 49.4 -60.3 -43.6 44.6 9.1 26.9 62 62 A E H > S+ 0 0 39 -3,-0.3 4,-2.1 2,-0.2 5,-0.2 0.889 111.0 50.3 -63.7 -42.4 42.2 12.0 27.0 63 63 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -34,-0.4 0.931 111.9 47.4 -61.8 -44.9 42.5 12.3 23.2 64 64 A E H X S+ 0 0 78 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.821 108.2 55.7 -67.1 -29.8 41.8 8.6 22.7 65 65 A K H X S+ 0 0 132 -4,-1.7 4,-2.4 2,-0.2 5,-0.2 0.971 108.4 45.8 -67.8 -47.1 38.9 8.7 25.0 66 66 A L H X S+ 0 0 3 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.916 112.6 54.5 -58.4 -37.7 37.2 11.5 23.0 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.3 -5,-0.2 5,-0.3 0.948 106.2 49.0 -64.3 -48.5 38.0 9.5 19.9 68 68 A N H X S+ 0 0 87 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.914 113.1 48.7 -56.9 -44.5 36.4 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.918 111.0 49.7 -61.3 -42.9 33.3 8.3 22.0 70 70 A D H X S+ 0 0 36 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.848 110.1 49.0 -66.1 -35.8 33.2 10.0 18.6 71 71 A V H X S+ 0 0 5 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.950 112.7 49.7 -68.4 -44.2 33.5 6.8 16.6 72 72 A D H X S+ 0 0 87 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.922 111.2 47.8 -59.4 -49.4 30.8 5.2 18.7 73 73 A A H X S+ 0 0 42 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.901 109.4 53.6 -60.3 -40.4 28.5 8.2 18.2 74 74 A A H X S+ 0 0 10 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.956 112.5 44.6 -61.4 -50.7 29.2 8.2 14.4 75 75 A V H X S+ 0 0 32 -4,-2.9 4,-2.3 2,-0.2 3,-0.2 0.977 115.5 46.4 -55.0 -53.7 28.2 4.5 14.2 76 76 A R H X S+ 0 0 114 -4,-3.0 4,-1.2 1,-0.2 -1,-0.2 0.884 110.9 54.4 -59.2 -35.1 25.1 5.0 16.5 77 77 A G H < S+ 0 0 2 -4,-2.6 3,-0.3 -5,-0.3 4,-0.3 0.911 107.1 48.6 -64.9 -44.4 24.2 8.0 14.5 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.2 -3,-0.2 7,-0.3 0.921 112.3 50.8 -61.0 -41.4 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 73 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.692 110.4 48.6 -73.6 -17.2 22.1 3.3 12.7 80 80 A R T 3< S+ 0 0 172 -4,-1.2 2,-0.6 -3,-0.3 -1,-0.3 0.346 93.0 98.0 -96.0 -6.3 19.6 5.7 13.9 81 81 A N <> - 0 0 24 -3,-1.2 4,-2.5 -4,-0.3 3,-0.1 -0.767 62.5-153.8 -94.3 121.5 19.4 7.4 10.6 82 82 A A T 4 S+ 0 0 92 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.817 97.8 40.7 -61.2 -26.2 16.5 6.4 8.3 83 83 A K T 4 S+ 0 0 97 2,-0.1 4,-0.4 1,-0.1 -1,-0.2 0.729 121.4 38.8 -91.0 -26.6 18.6 7.4 5.2 84 84 A L T >> S+ 0 0 0 -6,-0.2 4,-2.3 -7,-0.2 3,-0.5 0.823 101.4 68.0 -92.5 -38.2 21.9 6.1 6.2 85 85 A K H 3X S+ 0 0 78 -4,-2.5 4,-2.6 -7,-0.3 5,-0.2 0.883 98.1 51.5 -52.4 -43.3 21.1 2.8 7.9 86 86 A P H 3> S+ 0 0 53 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.849 110.8 48.9 -66.9 -31.6 19.9 1.1 4.8 87 87 A V H <> S+ 0 0 3 -3,-0.5 4,-1.0 -4,-0.4 3,-0.4 0.945 112.1 48.0 -67.1 -49.9 23.1 1.9 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.906 109.2 53.3 -56.1 -46.5 25.2 0.8 5.8 89 89 A D H 3< S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.4 53.6 -62.4 -28.1 23.3 -2.5 6.1 90 90 A S H 3< S+ 0 0 32 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.670 96.9 84.2 -80.4 -19.9 23.9 -3.1 2.4 91 91 A L S << S- 0 0 6 -4,-1.0 2,-0.1 -3,-0.9 31,-0.0 -0.479 75.0-117.1 -90.2 160.0 27.6 -2.7 2.4 92 92 A D > - 0 0 58 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.285 45.4 -88.9 -81.7 172.3 30.5 -5.0 3.2 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.4 2,-0.2 -2,-0.1 0.851 122.7 46.9 -52.5 -45.8 32.9 -4.4 6.2 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.4 62,-0.2 3,-0.4 0.933 114.0 46.1 -64.8 -52.6 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.802 105.5 60.9 -63.7 -31.4 32.9 0.0 2.7 96 96 A R H X S+ 0 0 80 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.911 102.8 52.5 -58.3 -40.0 31.0 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.5 -3,-0.4 -2,-0.2 0.897 105.1 55.6 -62.2 -40.9 34.3 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.889 109.3 47.0 -59.6 -39.9 34.3 4.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.918 108.9 52.6 -70.5 -34.9 30.8 5.5 5.4 100 100 A I H X S+ 0 0 8 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.943 108.4 53.9 -63.2 -41.0 31.7 5.9 9.1 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.917 107.6 47.7 -57.0 -47.7 34.6 8.1 8.0 102 102 A M H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 5,-0.3 0.919 114.1 48.1 -64.6 -38.2 32.4 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.877 109.0 52.7 -70.8 -35.6 30.0 10.7 8.8 104 104 A F H < S+ 0 0 31 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.921 116.6 40.9 -65.1 -38.1 32.7 11.4 11.4 105 105 A Q H < S+ 0 0 56 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.912 132.1 17.5 -73.5 -51.1 34.0 14.2 9.2 106 106 A M H X S- 0 0 52 -4,-2.7 4,-0.8 -5,-0.2 -3,-0.2 0.429 102.4-116.2-112.1 3.8 30.8 15.9 8.0 107 107 A G H X - 0 0 32 -4,-1.9 4,-2.1 -5,-0.3 5,-0.2 0.170 36.3 -77.2 78.8 158.8 28.1 14.7 10.3 108 108 A E H > S+ 0 0 56 1,-0.2 4,-2.8 2,-0.2 -1,-0.1 0.846 128.0 54.3 -65.2 -33.9 25.1 12.7 9.6 109 109 A T H > S+ 0 0 124 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.967 108.0 48.7 -65.2 -52.4 23.2 15.6 8.0 110 110 A G H >< S+ 0 0 34 -4,-0.8 3,-1.2 1,-0.2 4,-0.3 0.949 114.4 45.2 -50.4 -57.8 26.0 16.4 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-3.3 1,-0.3 -1,-0.2 0.914 105.0 59.8 -56.1 -46.3 26.3 12.8 4.5 112 112 A A H 3< S+ 0 0 14 -4,-2.8 -1,-0.3 1,-0.3 3,-0.2 0.794 95.8 67.5 -55.5 -21.8 22.5 12.3 4.2 113 113 A G T << S+ 0 0 58 -4,-1.3 2,-0.8 -3,-1.2 3,-0.3 0.611 77.9 81.3 -70.4 -13.0 22.9 15.2 1.6 114 114 A F <> + 0 0 33 -3,-3.3 4,-2.3 -4,-0.3 3,-0.3 -0.125 60.0 152.2 -87.1 46.2 24.8 12.8 -0.7 115 115 A T H > + 0 0 66 -2,-0.8 4,-1.4 -3,-0.2 -1,-0.2 0.820 64.8 42.0 -40.3 -58.5 21.5 11.4 -1.9 116 116 A N H > S+ 0 0 93 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.891 115.4 50.3 -64.7 -38.5 22.3 10.2 -5.4 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-1.8 1,-0.2 -2,-0.2 0.842 108.3 53.8 -69.5 -35.5 25.7 8.7 -4.3 118 118 A L H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.816 107.0 51.3 -64.8 -37.2 24.0 6.8 -1.5 119 119 A R H X S+ 0 0 118 -4,-1.4 4,-1.6 -5,-0.3 -2,-0.2 0.911 110.4 48.9 -69.4 -37.3 21.6 5.3 -3.9 120 120 A M H <>S+ 0 0 23 -4,-1.8 5,-2.3 2,-0.2 -2,-0.2 0.826 108.6 52.6 -69.9 -34.4 24.4 4.2 -6.1 121 121 A L H ><5S+ 0 0 1 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.938 108.2 52.7 -65.3 -44.1 26.3 2.7 -3.2 122 122 A Q H 3<5S+ 0 0 91 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.866 109.0 48.0 -55.9 -40.8 23.2 0.7 -2.3 123 123 A Q T 3<5S- 0 0 88 -4,-1.6 -1,-0.3 2,-0.1 -2,-0.2 0.385 113.0-120.5 -81.8 1.2 22.9 -0.6 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.7 2,-1.2 1,-0.2 -3,-0.2 0.793 62.0 149.1 59.9 34.5 26.6 -1.5 -5.8 125 125 A R >< + 0 0 114 -5,-2.3 4,-2.3 1,-0.2 -1,-0.2 -0.722 18.3 172.1 -94.8 81.3 27.4 0.7 -8.8 126 126 A W H > + 0 0 51 -2,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.879 68.8 46.1 -62.0 -49.2 31.0 1.5 -7.6 127 127 A D H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.908 116.2 45.6 -61.7 -46.6 32.5 3.3 -10.5 128 128 A E H > S+ 0 0 113 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.883 111.8 52.1 -70.0 -34.1 29.4 5.5 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.918 108.6 51.4 -64.5 -43.7 29.2 6.2 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.852 108.7 50.5 -60.2 -39.1 32.8 7.3 -7.1 131 131 A V H < S+ 0 0 90 -4,-1.6 4,-0.4 2,-0.2 3,-0.3 0.928 115.2 43.2 -67.6 -43.9 32.3 9.7 -10.0 132 132 A N H >< S+ 0 0 43 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.904 107.4 58.0 -66.7 -44.7 29.3 11.3 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.3 6,-0.3 1,-0.2 -1,-0.2 0.858 101.0 60.3 -52.2 -36.4 30.9 11.4 -4.9 134 134 A A T 3< S+ 0 0 28 -4,-1.1 2,-1.5 -3,-0.3 -1,-0.2 0.624 86.4 77.8 -67.8 -20.4 33.7 13.6 -6.5 135 135 A K S < S+ 0 0 160 -3,-1.6 2,-0.3 -4,-0.4 -1,-0.2 -0.587 80.1 99.0 -89.5 71.2 31.2 16.3 -7.6 136 136 A S S > S- 0 0 16 -2,-1.5 4,-1.8 1,-0.1 5,-0.2 -0.996 84.6-118.7-154.9 153.9 31.1 17.8 -4.2 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-2.8 1,-0.2 5,-0.4 0.910 114.5 63.9 -59.6 -40.1 32.4 20.7 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.927 105.3 42.1 -46.6 -52.4 33.9 17.9 0.1 139 139 A Y H 4 S+ 0 0 55 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.5 48.8 -66.2 -43.3 36.1 16.6 -2.7 140 140 A N H < S+ 0 0 107 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.829 117.0 41.7 -67.9 -31.9 37.2 20.0 -3.9 141 141 A Q H < S+ 0 0 108 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.866 131.4 21.9 -82.4 -42.0 38.0 21.2 -0.4 142 142 A T S X S+ 0 0 24 -4,-2.5 4,-2.6 -5,-0.4 5,-0.2 -0.454 74.6 160.5-123.9 67.5 39.7 18.1 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.803 69.1 50.7 -60.7 -38.8 40.8 16.3 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.904 116.3 40.5 -70.2 -41.7 43.5 13.9 -0.8 145 145 A R H > S+ 0 0 22 -3,-0.2 4,-2.4 2,-0.2 3,-0.3 0.929 115.2 53.2 -68.0 -43.7 41.3 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.3 5,-0.2 0.941 106.8 52.6 -55.7 -43.8 38.2 12.4 -0.3 147 147 A K H X S+ 0 0 93 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.3 0.855 108.2 50.5 -59.9 -42.4 40.2 10.4 -2.8 148 148 A R H X S+ 0 0 72 -4,-1.2 4,-1.6 -3,-0.3 -1,-0.2 0.914 114.2 43.4 -62.1 -46.9 41.2 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.924 115.3 49.8 -64.9 -42.6 37.6 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.3 4,-2.5 -5,-0.3 -2,-0.2 0.898 109.5 49.8 -62.5 -43.6 36.3 7.3 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.4 4,-2.8 -5,-0.2 6,-0.3 0.847 107.6 55.8 -63.6 -36.0 38.9 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.916 111.0 44.6 -61.6 -42.5 37.8 2.7 -0.5 153 153 A F H < S+ 0 0 0 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.903 115.2 49.0 -66.3 -41.3 34.2 2.8 -1.9 154 154 A R H < S+ 0 0 104 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.932 125.5 22.9 -66.8 -47.4 35.3 2.0 -5.4 155 155 A T H < S- 0 0 47 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.720 86.0-134.3 -95.8 -26.4 37.5 -1.0 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.3 -62,-0.2 0.706 73.2 100.9 75.7 19.0 36.3 -2.4 -1.3 157 157 A T S S- 0 0 45 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.805 80.9-119.1-127.4 172.2 40.0 -2.7 -0.1 158 158 A W S > S+ 0 0 38 -2,-0.3 3,-1.8 1,-0.2 4,-0.4 0.057 72.0 123.0 -95.0 15.1 42.3 -0.6 2.2 159 159 A D G > + 0 0 108 1,-0.3 3,-1.4 2,-0.2 -1,-0.2 0.864 66.4 57.2 -50.4 -36.8 44.7 -0.0 -0.6 160 160 A A G 3 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.761 109.1 46.6 -70.3 -17.9 44.5 3.7 -0.4 161 161 A Y G < 0 0 18 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.381 360.0 360.0-104.3 6.7 45.6 3.6 3.2 162 162 A K < 0 0 177 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.817 360.0 360.0-108.3 360.0 48.4 1.2 2.8