==== 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 23-OCT-97 238L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8660.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.5 43.5 -1.9 9.2 2 2 A N > - 0 0 70 156,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.914 360.0 -85.2-152.7 171.1 40.3 -0.8 10.9 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.829 124.5 52.4 -52.6 -38.1 38.2 2.4 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.957 113.1 41.4 -67.1 -47.9 40.3 3.6 14.2 5 5 A E H > S+ 0 0 93 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.860 114.8 54.5 -67.3 -34.9 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-0.3 0.951 112.8 39.6 -64.7 -54.1 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.4 0.845 109.1 60.8 -68.2 -27.5 40.7 7.8 10.8 8 8 A R H X S+ 0 0 97 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.2 0.886 107.4 47.9 -66.6 -27.3 43.8 8.3 12.9 9 9 A I H < S+ 0 0 83 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.913 114.4 44.2 -75.3 -43.3 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.788 125.0 30.9 -72.0 -29.5 43.2 11.0 8.1 11 11 A E H < S- 0 0 48 -4,-2.4 19,-0.3 -5,-0.2 -1,-0.2 0.664 91.3-155.7-104.5 -20.7 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 -0.187 25.9 -81.5 70.4-168.3 46.2 13.0 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.955 43.2 172.1-140.0 120.0 46.8 13.6 16.5 14 14 A R E -A 28 0A 145 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -0.994 18.5-163.9-132.3 133.1 47.2 17.0 18.3 15 15 A L E S+ 0 0 60 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.411 74.1 58.1 -93.9 -4.7 47.4 17.6 21.9 16 16 A K E S-C 57 0B 138 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.900 101.8 -83.8-118.9 155.8 46.8 21.4 22.0 17 17 A I E + 0 0 32 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.298 58.9 171.2 -55.9 140.3 43.8 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-2.8 8,-3.1 -4,-0.1 2,-0.5 -0.901 34.9-101.1-145.3 170.6 44.2 23.8 16.8 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.821 33.5-138.4 -99.8 137.5 42.3 25.0 13.9 20 20 A D > - 0 0 47 4,-2.9 3,-1.7 -2,-0.5 -1,-0.1 -0.069 40.1 -82.7 -79.5-174.2 40.9 22.6 11.5 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.758 134.5 48.7 -61.8 -24.0 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.433 125.1-104.9 -93.3 -1.5 37.7 25.0 7.9 23 23 A G S < S+ 0 0 31 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.596 74.2 142.4 85.8 21.1 39.4 27.2 10.6 24 24 A Y - 0 0 77 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.738 59.4-100.6 -96.8 145.5 37.4 25.7 13.5 25 25 A Y E +AB 19 34A 35 9,-0.6 8,-3.4 11,-0.4 9,-1.4 -0.417 55.0 158.8 -66.8 122.9 38.7 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-3.1 -8,-2.8 -2,-0.3 2,-0.3 -0.867 19.0-167.7-137.0 167.6 39.5 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-1.9 -2,-0.3 2,-0.2 -0.988 51.5 2.0-155.3 161.8 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-1.0 -0.414 123.6 -4.4 67.9-131.4 43.0 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.622 127.6 -54.2 -98.4 69.2 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.761 83.3 160.2 70.8 23.4 39.7 15.5 14.8 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-1.8 1,-0.0 -1,-0.2 -0.679 33.6-142.2 -83.1 104.7 37.5 16.3 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.387 18.5-175.1 -62.9 130.0 35.6 19.5 16.8 33 33 A L E - 0 0 15 -8,-3.4 2,-0.3 1,-0.4 -7,-0.2 0.888 58.2 -32.3 -93.5 -48.1 35.2 21.8 19.8 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.4 -0.967 33.1-135.3-164.0 161.4 33.2 24.7 18.4 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.435 73.7 115.0 -99.2 -5.1 32.5 26.6 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.354 72.0-133.2 -66.5 138.6 32.6 29.8 17.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.518 77.1 103.7 -73.3 -0.7 35.5 32.1 16.5 38 38 A S > - 0 0 47 1,-0.1 4,-2.2 -13,-0.0 5,-0.1 -0.735 56.5-161.3 -92.6 123.2 36.2 32.5 20.2 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.796 96.3 55.6 -66.6 -32.0 39.2 30.6 21.8 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 105.5 51.1 -68.6 -41.4 37.7 31.1 25.1 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.928 111.6 49.3 -57.6 -42.9 34.6 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.898 109.7 50.0 -63.8 -42.3 36.8 26.6 22.6 43 43 A K H X S+ 0 0 66 -4,-2.7 4,-2.4 2,-0.2 11,-0.2 0.918 111.1 50.9 -62.8 -39.3 38.7 26.3 25.9 44 44 A S H X S+ 0 0 72 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.929 110.9 46.0 -64.3 -46.1 35.3 26.1 27.7 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.887 111.9 54.9 -64.0 -40.1 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 5,-0.3 0.933 107.8 45.9 -59.7 -47.3 37.2 21.6 25.9 47 47 A D H X>S+ 0 0 36 -4,-2.4 4,-2.8 1,-0.2 5,-1.3 0.898 112.4 51.8 -62.8 -38.5 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 109.7 49.7 -65.4 -37.2 33.5 20.5 29.8 49 49 A A H <5S+ 0 0 45 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.866 120.3 35.2 -69.5 -38.1 34.3 17.6 27.4 50 50 A I H <5S- 0 0 39 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.736 102.4-126.5 -88.7 -30.7 37.3 16.4 29.6 51 51 A G T <5S+ 0 0 67 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.757 76.8 73.4 88.3 22.3 35.9 17.2 33.0 52 52 A R S - 0 0 7 -2,-1.1 3,-1.1 -11,-0.2 -1,-0.2 0.744 32.0-142.7 -87.6 -29.6 42.7 21.8 30.8 55 55 A N T 3 S- 0 0 126 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.731 72.7 -60.7 70.4 19.5 44.2 25.1 29.8 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.564 118.2 97.6 83.3 9.9 43.9 23.9 26.1 57 57 A V B < +C 16 0B 59 -3,-1.1 2,-0.2 -41,-0.2 -41,-0.2 -0.997 46.0 177.9-131.4 132.1 46.1 20.9 26.4 58 58 A I - 0 0 5 -43,-1.9 2,-0.2 -2,-0.4 -30,-0.1 -0.755 27.5-110.6-123.9 171.7 45.0 17.2 27.0 59 59 A T > - 0 0 63 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.485 32.9-101.1 -98.5 175.6 47.0 14.0 27.2 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.921 122.9 50.8 -62.6 -47.4 47.1 11.1 24.8 61 61 A D H > S+ 0 0 121 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.902 109.6 51.6 -56.6 -44.5 44.7 9.0 26.8 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.925 109.6 49.4 -58.1 -46.4 42.3 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -34,-0.4 0.901 111.9 49.5 -59.5 -42.8 42.5 12.4 23.1 64 64 A E H X S+ 0 0 74 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.830 106.6 54.4 -66.4 -33.5 41.9 8.7 22.7 65 65 A K H X S+ 0 0 138 -4,-2.1 4,-2.2 -5,-0.2 5,-0.2 0.955 109.3 47.5 -66.9 -44.2 38.9 8.7 25.0 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.895 111.3 53.5 -59.1 -38.0 37.3 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.950 106.8 48.7 -66.2 -48.2 38.1 9.5 19.8 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.917 113.9 48.4 -55.1 -44.6 36.4 6.3 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.896 112.1 48.9 -62.6 -40.9 33.4 8.4 22.0 70 70 A D H X S+ 0 0 36 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.841 110.2 49.6 -69.7 -35.9 33.4 10.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.944 111.7 50.0 -67.3 -44.0 33.6 6.9 16.6 72 72 A D H X S+ 0 0 104 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.932 110.6 48.2 -59.6 -44.2 30.8 5.4 18.6 73 73 A A H X S+ 0 0 61 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.893 108.8 55.5 -62.5 -40.2 28.6 8.4 18.1 74 74 A A H X S+ 0 0 14 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.951 110.4 43.7 -57.9 -52.1 29.3 8.4 14.3 75 75 A V H X S+ 0 0 29 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.916 114.1 51.5 -60.6 -43.4 28.2 4.8 13.9 76 76 A R H X S+ 0 0 161 -4,-2.4 4,-1.8 -5,-0.3 -1,-0.2 0.884 105.7 53.8 -67.0 -30.9 25.2 5.4 16.0 77 77 A G H X S+ 0 0 3 -4,-2.6 4,-0.8 2,-0.2 -1,-0.2 0.893 108.8 50.3 -65.7 -40.2 24.2 8.4 14.1 78 78 A I H >< S+ 0 0 0 -4,-1.8 3,-0.8 1,-0.2 7,-0.4 0.942 110.8 48.5 -60.4 -49.6 24.3 6.3 10.9 79 79 A L H 3< S+ 0 0 62 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.807 112.3 48.4 -66.8 -27.3 22.2 3.5 12.4 80 80 A R H 3< S+ 0 0 163 -4,-1.8 2,-0.6 -5,-0.2 -1,-0.3 0.596 93.0 93.3 -85.9 -15.6 19.6 6.0 13.6 81 81 A N S+ 0 0 0 -3,-0.2 4,-2.4 -6,-0.2 3,-0.5 0.847 99.1 68.3 -88.0 -41.5 21.9 6.1 6.1 85 85 A K H X S+ 0 0 85 -4,-3.3 4,-2.9 -7,-0.4 5,-0.2 0.896 98.7 49.6 -48.0 -51.5 21.0 2.9 7.8 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.859 111.8 49.4 -63.2 -32.0 20.0 1.0 4.7 87 87 A V H > S+ 0 0 2 -3,-0.5 4,-0.8 -4,-0.4 -2,-0.2 0.956 111.9 48.1 -66.5 -50.8 23.1 1.9 2.9 88 88 A Y H >< S+ 0 0 31 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.914 109.7 52.6 -54.5 -47.4 25.3 0.9 5.7 89 89 A D H 3< S+ 0 0 72 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.849 107.3 53.9 -63.0 -31.3 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 41 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.658 95.1 87.3 -77.6 -16.2 24.1 -3.2 2.4 91 91 A L S << S- 0 0 5 -3,-1.1 31,-0.0 -4,-0.8 2,-0.0 -0.519 75.6-115.9 -87.7 158.9 27.8 -2.7 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.241 43.6 -91.4 -79.0 173.0 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -2,-0.1 0.862 122.2 47.4 -59.1 -43.7 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 24 62,-0.2 4,-1.5 1,-0.2 3,-0.4 0.942 113.9 46.7 -64.4 -46.8 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.829 104.6 61.3 -66.9 -31.0 33.1 0.0 2.7 96 96 A R H X S+ 0 0 81 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.909 102.5 53.6 -59.0 -38.5 31.2 0.4 6.0 97 97 A A H X S+ 0 0 7 -4,-1.3 4,-2.7 -3,-0.4 -2,-0.2 0.904 104.6 53.6 -64.5 -39.1 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.880 109.2 49.4 -61.2 -38.2 34.5 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.890 110.3 49.8 -68.6 -38.0 30.9 5.5 5.3 100 100 A I H X S+ 0 0 9 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.947 107.0 56.5 -64.8 -40.6 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.3 -2,-0.2 0.930 108.1 46.4 -56.0 -46.4 34.8 8.1 7.9 102 102 A M H X S+ 0 0 2 -4,-1.8 4,-2.7 1,-0.2 5,-0.4 0.914 111.7 51.2 -64.4 -41.4 32.6 10.4 6.0 103 103 A A H X S+ 0 0 7 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.881 108.3 52.5 -65.0 -32.3 30.1 10.7 8.9 104 104 A F H < S+ 0 0 30 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.933 115.1 41.5 -67.1 -40.4 32.9 11.4 11.3 105 105 A Q H < S+ 0 0 57 -4,-2.0 -2,-0.2 -5,-0.3 -1,-0.2 0.918 131.9 18.1 -72.8 -46.9 34.2 14.3 9.2 106 106 A M H X S- 0 0 49 -4,-2.7 4,-0.8 -5,-0.2 -3,-0.2 0.416 103.9-113.9-112.6 -1.0 31.0 15.9 8.1 107 107 A G H X - 0 0 32 -4,-1.7 4,-2.4 -5,-0.4 5,-0.2 0.188 36.5 -78.2 80.7 151.5 28.3 14.7 10.4 108 108 A E H > S+ 0 0 51 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.846 131.1 53.5 -55.6 -37.2 25.3 12.5 9.7 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.930 107.4 49.5 -66.7 -44.7 23.5 15.4 8.2 110 110 A G H >< S+ 0 0 28 -4,-0.8 3,-1.3 -3,-0.2 -2,-0.2 0.967 113.6 47.3 -59.3 -51.2 26.3 16.2 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.0 1,-0.3 -2,-0.2 0.884 103.2 59.6 -57.0 -44.0 26.5 12.6 4.7 112 112 A A H 3< S+ 0 0 19 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.745 93.4 70.4 -61.4 -18.5 22.8 12.1 4.2 113 113 A G T << S+ 0 0 58 -3,-1.3 2,-0.9 -4,-0.8 3,-0.3 0.532 76.6 81.2 -74.0 -7.3 23.0 15.0 1.6 114 114 A F <> + 0 0 37 -3,-2.0 4,-2.6 1,-0.2 5,-0.3 -0.303 57.8 153.3 -91.9 51.4 24.9 12.8 -0.9 115 115 A T H > + 0 0 71 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.879 66.2 46.6 -49.5 -50.0 21.6 11.3 -1.9 116 116 A N H > S+ 0 0 103 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.869 113.2 47.8 -65.0 -39.5 22.6 10.3 -5.3 117 117 A S H > S+ 0 0 1 -3,-0.2 4,-2.3 2,-0.2 5,-0.2 0.905 109.5 56.0 -65.7 -40.7 26.0 8.7 -4.3 118 118 A L H X S+ 0 0 5 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.902 105.4 50.5 -57.3 -44.7 24.2 6.9 -1.5 119 119 A R H X S+ 0 0 148 -4,-1.7 4,-2.0 -5,-0.3 -1,-0.2 0.929 110.7 49.2 -63.8 -39.2 21.8 5.3 -4.0 120 120 A M H <>S+ 0 0 30 -4,-1.7 5,-2.5 2,-0.2 4,-0.4 0.860 110.0 50.9 -68.3 -34.9 24.7 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.2 -1,-0.2 0.931 108.7 51.4 -67.7 -42.5 26.5 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.890 110.7 48.8 -58.9 -36.2 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 95 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.533 113.8-121.5 -81.9 -2.5 23.1 -0.5 -5.9 124 124 A K T < 5 + 0 0 98 -3,-1.4 2,-1.2 -4,-0.4 -3,-0.2 0.765 61.9 148.0 64.1 35.5 26.8 -1.5 -5.8 125 125 A R >< + 0 0 73 -5,-2.5 4,-2.4 1,-0.2 -1,-0.2 -0.693 20.0 173.7 -96.9 74.8 27.7 0.7 -8.8 126 126 A W H > + 0 0 51 -2,-1.2 4,-2.0 1,-0.2 -1,-0.2 0.877 69.5 45.3 -57.0 -51.4 31.2 1.5 -7.5 127 127 A D H > S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 115.3 48.5 -61.3 -42.4 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.898 110.2 50.3 -65.9 -41.1 29.7 5.5 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.4 4,-3.3 2,-0.2 -1,-0.2 0.902 108.1 54.5 -60.0 -41.3 29.4 6.3 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.906 108.9 47.8 -60.6 -41.8 33.1 7.3 -7.1 131 131 A V H X S+ 0 0 90 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.953 114.4 45.9 -66.2 -45.9 32.6 9.7 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.5 3,-1.3 1,-0.2 -2,-0.2 0.908 108.1 56.2 -63.5 -42.9 29.5 11.2 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.868 102.3 58.4 -57.9 -33.4 31.2 11.5 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.5 2,-1.6 -3,-0.3 -1,-0.2 0.690 85.8 78.7 -72.1 -19.0 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 163 -3,-1.3 2,-0.3 -4,-0.6 -1,-0.2 -0.558 81.6 97.0 -87.7 72.8 31.5 16.2 -7.7 136 136 A S S > S- 0 0 16 -2,-1.6 4,-1.8 1,-0.1 5,-0.2 -0.993 84.8-117.2-155.6 154.8 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 150 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.901 114.8 64.1 -60.7 -41.3 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 19 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.939 105.6 42.6 -44.5 -55.6 34.1 17.9 0.1 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.891 115.6 49.3 -63.3 -40.2 36.4 16.5 -2.7 140 140 A N H < S+ 0 0 104 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 116.2 42.1 -69.9 -31.7 37.4 20.0 -3.8 141 141 A Q H < S+ 0 0 105 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.879 132.0 18.9 -83.5 -41.5 38.3 21.2 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.8 -5,-0.3 5,-0.2 -0.588 74.4 162.2-129.2 68.4 40.1 18.1 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.839 69.6 52.4 -58.4 -41.8 41.0 16.3 -2.1 144 144 A N H > S+ 0 0 119 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.944 115.8 40.9 -65.4 -43.5 43.7 13.9 -0.7 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.942 114.8 50.3 -67.8 -48.4 41.4 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 -8,-0.2 5,-0.2 0.916 108.6 54.6 -57.2 -39.8 38.4 12.4 -0.2 147 147 A K H X S+ 0 0 90 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.894 107.0 51.1 -60.0 -40.2 40.4 10.5 -2.7 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.2 -3,-0.2 12,-0.2 0.944 113.7 42.7 -64.9 -44.3 41.4 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.907 113.5 52.5 -68.2 -40.1 37.8 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.904 107.6 51.0 -63.1 -44.2 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.6 -5,-0.2 6,-0.4 0.796 107.2 56.0 -60.6 -31.9 39.1 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.2 4,-2.4 2,-0.2 -2,-0.2 0.894 109.9 44.0 -67.8 -40.8 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.886 115.1 49.9 -70.9 -38.3 34.4 2.7 -1.8 154 154 A R H < S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.911 124.4 25.1 -64.4 -46.9 35.5 1.9 -5.3 155 155 A T H < S- 0 0 47 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.662 85.3-136.0 -96.4 -23.3 37.7 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 1,-0.3 -62,-0.2 0.673 73.5 103.1 70.5 18.1 36.4 -2.4 -1.2 157 157 A T S S- 0 0 45 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.838 79.8-121.6-126.5 169.3 40.1 -2.7 -0.1 158 158 A W S >> S+ 0 0 39 -2,-0.3 3,-1.8 1,-0.2 4,-0.5 0.152 71.2 121.6 -93.3 17.8 42.4 -0.7 2.2 159 159 A D G >4 + 0 0 93 1,-0.3 3,-1.0 2,-0.2 -1,-0.2 0.824 65.8 58.6 -55.8 -29.7 44.9 0.0 -0.6 160 160 A A G 34 S+ 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.702 109.7 45.2 -73.5 -17.7 44.6 3.8 -0.3 161 161 A Y G <4 0 0 21 -3,-1.8 -1,-0.3 -13,-0.1 -2,-0.2 0.425 360.0 360.0-104.6 0.8 45.7 3.6 3.3 162 162 A K << 0 0 175 -3,-1.0 -2,-0.2 -4,-0.5 -3,-0.1 0.875 360.0 360.0 -95.4 360.0 48.6 1.1 2.6