==== 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 05-JAN-99 258L . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.W.WRAY,W.A.BAASE,G.J.OSTHEIMER,B.W.MATTHEWS . 163 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 73.6 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 . 10 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 52.8 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 75 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 156.9 43.5 -2.0 9.3 2 2 A N > - 0 0 64 156,-0.0 4,-2.7 95,-0.0 3,-0.3 -0.913 360.0 -83.0-150.4 178.3 40.3 -0.7 10.9 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.752 123.1 52.8 -54.8 -38.2 38.3 2.4 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.926 112.1 43.3 -66.1 -47.3 40.3 3.7 14.1 5 5 A E H > S+ 0 0 100 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.899 114.5 53.0 -62.8 -39.2 43.6 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.964 112.3 42.0 -60.8 -54.9 42.0 4.8 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.4 0.850 109.1 60.0 -66.2 -29.9 40.7 7.8 11.0 8 8 A R H X S+ 0 0 107 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.907 107.2 46.6 -67.8 -32.2 43.9 8.3 12.9 9 9 A I H < S+ 0 0 63 -4,-2.0 -1,-0.2 -3,-0.2 -2,-0.2 0.921 115.3 45.2 -73.0 -42.1 45.7 8.6 9.7 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.836 124.4 31.4 -70.8 -32.5 43.2 11.0 8.2 11 11 A E H < S- 0 0 38 -4,-2.7 19,-0.4 -5,-0.2 -1,-0.2 0.706 92.9-152.1-100.2 -22.0 42.9 13.3 11.2 12 12 A G < - 0 0 24 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.089 24.6 -85.5 75.6-176.4 46.3 13.1 12.9 13 13 A L + 0 0 50 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.982 42.7 172.0-135.6 120.4 46.9 13.5 16.6 14 14 A R E -A 28 0A 125 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -0.998 15.9-167.9-128.8 128.7 47.4 17.0 18.3 15 15 A L E S+ 0 0 68 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.497 72.1 63.1 -94.4 -4.0 47.6 17.4 22.1 16 16 A K E S-C 57 0B 96 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.918 99.9 -91.6-119.3 145.7 47.3 21.2 22.2 17 17 A I E + 0 0 10 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.282 56.4 175.6 -54.0 141.2 44.3 23.1 21.0 18 18 A Y E -A 26 0A 33 8,-2.9 8,-3.0 -4,-0.1 2,-0.5 -0.934 36.1-109.4-144.0 164.5 44.8 24.1 17.4 19 19 A K E -A 25 0A 131 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.872 40.5-144.6 -95.4 124.4 43.0 25.8 14.4 20 20 A D > - 0 0 32 4,-2.8 3,-2.3 -2,-0.5 -1,-0.0 -0.210 35.5 -82.3 -81.7 178.4 42.1 23.2 11.8 21 21 A H T 3 S+ 0 0 121 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.634 131.3 53.4 -59.1 -13.1 42.0 23.6 8.1 22 22 A E T 3 S- 0 0 60 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.526 119.7-108.3 -99.4 -4.7 38.6 25.2 8.4 23 23 A G S < S+ 0 0 32 -3,-2.3 2,-0.2 1,-0.3 -2,-0.1 0.571 78.4 126.8 88.5 17.2 39.7 27.8 10.9 24 24 A Y - 0 0 76 1,-0.0 -4,-2.8 13,-0.0 2,-0.5 -0.669 67.3 -99.0-102.4 166.4 37.9 26.2 13.8 25 25 A Y E +AB 19 34A 33 9,-1.6 8,-3.6 11,-0.3 9,-1.2 -0.685 52.4 161.2 -86.5 124.0 39.3 25.1 17.2 26 26 A T E -AB 18 32A 4 -8,-3.0 -8,-2.9 -2,-0.5 2,-0.3 -0.883 16.0-171.5-136.0 166.6 40.0 21.4 17.4 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.1 -2,-0.3 2,-0.2 -0.984 50.6 2.5-155.4 162.7 42.1 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-0.9 -0.429 122.2 -5.0 66.6-127.3 43.2 15.5 19.7 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.687 129.3 -51.7-102.4 71.0 42.1 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.2 -19,-0.4 -2,-0.2 0.799 86.0 161.8 70.3 28.7 39.9 15.6 14.8 31 31 A H E < -B 27 0A 30 -4,-2.1 -4,-1.5 -20,-0.1 -1,-0.2 -0.643 30.9-145.2 -85.0 100.7 37.9 16.5 17.9 32 32 A L E -B 26 0A 75 -2,-1.2 -6,-0.3 -6,-0.2 3,-0.1 -0.371 19.4-178.7 -64.4 132.3 36.1 19.8 17.0 33 33 A L E - 0 0 15 -8,-3.6 2,-0.3 1,-0.4 -7,-0.2 0.871 59.6 -20.7 -96.2 -49.3 35.7 22.1 20.0 34 34 A T E -B 25 0A 23 -9,-1.2 -9,-1.6 2,-0.1 -1,-0.4 -0.976 36.9-141.8-160.6 147.2 33.9 25.1 18.7 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.424 76.6 108.3 -90.1 -2.8 33.2 26.8 15.5 36 36 A S S S- 0 0 40 2,-0.1 -11,-0.3 1,-0.1 -2,-0.1 -0.423 75.5-130.0 -77.9 150.0 33.6 30.1 17.4 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.505 77.9 100.7 -78.2 -3.2 36.6 32.4 17.0 38 38 A S > - 0 0 51 1,-0.2 4,-2.0 2,-0.0 -2,-0.1 -0.743 56.2-160.6 -93.5 127.0 37.2 32.6 20.7 39 39 A L H > S+ 0 0 55 -2,-0.5 4,-2.9 1,-0.2 5,-0.3 0.871 95.8 59.0 -67.2 -36.2 39.9 30.5 22.3 40 40 A N H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.933 103.9 49.4 -60.9 -42.2 38.3 31.0 25.6 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.934 111.1 50.6 -62.7 -40.3 35.2 29.4 24.3 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.889 110.4 48.5 -65.4 -37.6 37.3 26.5 23.0 43 43 A K H X S+ 0 0 55 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.926 109.4 53.2 -69.1 -37.6 39.0 26.0 26.4 44 44 A S H X S+ 0 0 75 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.973 110.9 46.5 -56.1 -53.1 35.7 26.1 28.1 45 45 A E H X S+ 0 0 70 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.900 111.2 52.5 -56.9 -43.5 34.5 23.3 25.8 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.951 109.7 47.1 -60.3 -48.5 37.6 21.4 26.3 47 47 A D H X>S+ 0 0 33 -4,-3.0 4,-3.2 1,-0.2 5,-1.1 0.918 113.0 50.4 -60.8 -40.0 37.4 21.4 30.1 48 48 A K H <5S+ 0 0 143 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.888 112.1 47.3 -61.9 -41.0 33.8 20.4 29.9 49 49 A A H <5S+ 0 0 44 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.904 121.5 34.6 -70.8 -39.5 34.6 17.6 27.6 50 50 A I H <5S- 0 0 39 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.778 102.3-126.3 -86.8 -31.9 37.5 16.2 29.6 51 51 A G T <5S+ 0 0 66 -4,-3.2 2,-0.3 1,-0.4 -3,-0.2 0.810 76.1 75.3 90.3 29.0 36.2 17.0 33.0 52 52 A R S - 0 0 8 -2,-0.9 3,-1.3 -11,-0.2 -1,-0.2 0.726 32.5-143.8 -91.1 -26.5 43.1 21.6 31.0 55 55 A N T 3 S- 0 0 121 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.714 74.2 -60.1 66.3 15.9 44.6 24.8 30.1 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.8 -13,-0.2 2,-0.4 0.552 116.2 101.6 89.0 7.5 44.2 23.7 26.5 57 57 A V B < +C 16 0B 68 -3,-1.3 2,-0.3 -41,-0.2 -1,-0.2 -0.972 43.8 177.2-126.6 142.4 46.4 20.6 26.7 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.846 26.4-107.4-135.5 171.2 45.5 17.0 27.1 59 59 A T > - 0 0 63 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.510 31.7-108.9 -95.7 167.8 47.1 13.6 27.2 60 60 A K H > S+ 0 0 96 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.871 121.0 52.2 -57.5 -43.3 47.2 10.9 24.6 61 61 A D H > S+ 0 0 107 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.900 109.3 48.5 -62.2 -41.7 44.9 8.8 26.7 62 62 A E H > S+ 0 0 41 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.898 111.4 50.2 -67.2 -39.3 42.4 11.7 26.9 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.874 109.5 51.3 -64.7 -39.6 42.6 12.2 23.2 64 64 A E H X S+ 0 0 69 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.838 108.2 53.4 -66.1 -31.7 42.0 8.5 22.6 65 65 A K H X S+ 0 0 139 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.948 108.5 46.9 -68.5 -50.6 39.0 8.8 24.9 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.884 112.9 53.4 -52.9 -41.0 37.4 11.6 23.0 67 67 A F H X S+ 0 0 11 -4,-2.2 4,-2.8 2,-0.2 5,-0.3 0.920 106.4 49.2 -64.0 -48.4 38.2 9.6 19.8 68 68 A N H X S+ 0 0 90 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.929 113.3 48.5 -56.8 -44.6 36.4 6.5 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.909 112.0 48.7 -59.7 -42.4 33.4 8.6 21.9 70 70 A D H X S+ 0 0 38 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.890 110.6 49.4 -66.8 -39.4 33.4 10.4 18.5 71 71 A V H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.963 111.0 51.4 -68.5 -43.3 33.7 7.2 16.6 72 72 A D H X S+ 0 0 88 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.945 109.4 49.5 -53.0 -49.2 30.8 5.8 18.6 73 73 A A H X S+ 0 0 47 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.889 106.3 55.4 -61.1 -40.4 28.7 8.8 17.9 74 74 A A H X S+ 0 0 8 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.978 111.3 46.1 -58.4 -44.0 29.3 8.7 14.2 75 75 A V H X S+ 0 0 37 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.926 111.9 48.3 -63.0 -48.7 28.1 5.1 14.1 76 76 A R H X S+ 0 0 126 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.898 108.3 56.7 -62.3 -33.4 25.1 5.8 16.2 77 77 A G H X S+ 0 0 3 -4,-2.7 4,-0.8 -5,-0.3 -2,-0.2 0.927 109.0 46.9 -58.7 -46.8 24.5 8.7 13.8 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.0 1,-0.2 7,-0.5 0.948 111.1 50.4 -57.2 -53.7 24.4 6.3 10.9 79 79 A L H 3< S+ 0 0 75 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.753 110.4 49.7 -63.5 -28.7 22.2 3.7 12.6 80 80 A R H 3< S+ 0 0 168 -4,-1.9 2,-0.5 -5,-0.2 -1,-0.3 0.607 92.3 92.8 -81.1 -20.3 19.6 6.3 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 5,-0.2 0.868 103.2 61.9 -87.0 -43.2 22.2 6.2 6.0 85 85 A K H X S+ 0 0 84 -4,-2.6 4,-3.3 -7,-0.5 5,-0.2 0.883 101.0 50.3 -52.4 -51.3 21.3 2.9 7.7 86 86 A P H > S+ 0 0 54 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.863 114.5 46.3 -60.9 -33.3 20.1 1.0 4.7 87 87 A V H >> S+ 0 0 2 -4,-0.4 3,-1.0 2,-0.2 4,-1.0 0.954 112.6 48.5 -72.4 -48.2 23.1 1.9 2.8 88 88 A Y H >< S+ 0 0 36 -4,-2.7 3,-1.0 1,-0.3 -1,-0.2 0.923 109.6 53.5 -55.4 -46.1 25.4 1.1 5.6 89 89 A D H 3< S+ 0 0 72 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.732 105.4 54.9 -65.1 -20.7 23.7 -2.2 6.1 90 90 A S H << S+ 0 0 37 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.638 94.9 88.7 -85.1 -17.6 24.2 -3.1 2.4 91 91 A L S << S- 0 0 6 -3,-1.0 31,-0.0 -4,-1.0 30,-0.0 -0.534 75.2-115.4 -85.3 158.1 27.9 -2.6 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.177 44.7 -91.7 -73.1 170.2 30.9 -4.9 3.1 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.852 122.5 47.4 -56.6 -44.7 33.2 -4.2 6.1 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.4 62,-0.2 -1,-0.2 0.899 113.8 47.2 -66.3 -46.2 35.8 -2.0 4.3 95 95 A R H > S+ 0 0 26 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.858 104.5 60.1 -66.6 -32.9 33.2 0.1 2.7 96 96 A R H X S+ 0 0 81 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.928 103.5 54.1 -56.5 -39.4 31.3 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.6 1,-0.2 -1,-0.2 0.903 104.5 52.9 -62.6 -40.0 34.5 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.884 109.3 49.5 -67.1 -34.3 34.6 4.6 4.5 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.923 110.2 50.9 -66.8 -42.1 31.0 5.6 5.3 100 100 A I H X S+ 0 0 12 -4,-3.0 4,-3.4 1,-0.2 5,-0.3 0.950 106.1 55.5 -60.4 -43.7 31.9 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.914 109.0 46.9 -53.3 -49.5 34.9 8.2 8.0 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.926 112.1 49.6 -62.0 -41.9 32.7 10.6 6.1 103 103 A V H X S+ 0 0 6 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.934 109.8 51.8 -64.7 -40.2 30.1 10.7 8.9 104 104 A F H < S+ 0 0 31 -4,-3.4 -1,-0.2 -5,-0.2 -2,-0.2 0.933 116.4 41.4 -59.3 -44.4 32.8 11.5 11.5 105 105 A Q H < S+ 0 0 46 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.942 131.7 17.0 -67.9 -52.6 34.1 14.3 9.3 106 106 A M H X S- 0 0 54 -4,-3.1 4,-0.5 -5,-0.2 -3,-0.2 0.513 103.9-109.1-108.9 -3.0 31.0 15.9 8.2 107 107 A G H X - 0 0 31 -4,-2.6 4,-1.9 -5,-0.3 5,-0.2 0.042 32.1 -84.6 90.9 153.4 28.2 14.8 10.3 108 108 A E H > S+ 0 0 38 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.919 127.5 50.9 -63.3 -44.8 25.2 12.6 9.7 109 109 A T H > S+ 0 0 115 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.888 108.6 51.9 -58.9 -46.2 23.1 15.3 8.3 110 110 A G H >< S+ 0 0 30 -4,-0.5 3,-0.5 2,-0.2 -1,-0.2 0.880 114.0 41.3 -57.0 -49.6 25.9 16.3 5.8 111 111 A V H >< S+ 0 0 1 -4,-1.9 3,-2.4 1,-0.2 -2,-0.2 0.898 106.3 63.1 -70.9 -40.1 26.4 12.9 4.4 112 112 A A H 3< S+ 0 0 10 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.727 93.5 66.9 -56.7 -21.5 22.7 12.1 4.4 113 113 A G T << S+ 0 0 55 -4,-0.6 2,-1.4 -3,-0.5 -1,-0.3 0.593 76.4 86.7 -77.2 -8.1 22.5 15.0 1.8 114 114 A F <> + 0 0 47 -3,-2.4 4,-2.7 1,-0.2 5,-0.3 -0.402 53.4 159.3 -90.4 57.8 24.5 13.0 -0.8 115 115 A T H > + 0 0 70 -2,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.864 66.2 47.5 -47.2 -55.0 21.4 11.4 -2.1 116 116 A N H > S+ 0 0 84 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.912 113.9 45.0 -59.4 -47.4 22.8 10.4 -5.5 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.888 111.8 54.6 -62.8 -42.9 26.0 8.9 -4.2 118 118 A L H X S+ 0 0 10 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.915 108.5 48.8 -55.2 -48.4 24.2 7.1 -1.5 119 119 A R H X S+ 0 0 103 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.942 111.7 48.3 -61.6 -44.0 21.9 5.5 -4.0 120 120 A M H <>S+ 0 0 26 -4,-2.2 5,-2.6 1,-0.2 4,-0.5 0.893 111.0 50.9 -61.6 -43.8 24.8 4.4 -6.2 121 121 A L H ><5S+ 0 0 3 -4,-2.6 3,-1.7 3,-0.2 -1,-0.2 0.947 107.9 52.4 -60.6 -44.3 26.6 3.0 -3.3 122 122 A Q H 3<5S+ 0 0 87 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.914 110.8 48.1 -60.3 -35.8 23.5 1.0 -2.3 123 123 A Q T 3<5S- 0 0 97 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.493 113.4-121.3 -81.7 0.3 23.3 -0.3 -5.9 124 124 A K T < 5 + 0 0 105 -3,-1.7 2,-1.3 -4,-0.5 -3,-0.2 0.787 62.1 148.3 65.6 30.6 27.0 -1.2 -5.7 125 125 A R >< + 0 0 112 -5,-2.6 4,-2.6 1,-0.2 5,-0.2 -0.697 19.2 171.3 -94.2 75.6 27.7 1.0 -8.8 126 126 A W H > + 0 0 46 -2,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.883 67.5 47.0 -59.3 -52.5 31.2 1.8 -7.5 127 127 A D H > S+ 0 0 117 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.940 114.7 49.3 -59.8 -42.4 32.8 3.6 -10.3 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.927 110.0 50.3 -62.7 -46.3 29.7 5.8 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.8 1,-0.2 5,-0.2 0.916 107.0 55.8 -55.8 -44.1 29.5 6.6 -7.0 130 130 A A H X S+ 0 0 8 -4,-2.3 4,-1.1 1,-0.2 -1,-0.2 0.859 108.0 46.8 -64.2 -31.7 33.1 7.6 -7.1 131 131 A V H X S+ 0 0 92 -4,-1.6 4,-0.5 -3,-0.2 3,-0.3 0.938 113.6 48.2 -74.9 -42.9 32.6 10.1 -9.8 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.907 107.7 54.7 -62.9 -44.2 29.6 11.5 -8.2 133 133 A L H 3< S+ 0 0 3 -4,-3.8 6,-0.4 1,-0.2 -1,-0.2 0.835 101.8 59.8 -59.0 -30.6 31.3 11.8 -4.8 134 134 A A H 3< S+ 0 0 30 -4,-1.1 2,-1.5 -3,-0.3 -1,-0.2 0.652 85.1 80.1 -72.5 -16.6 34.2 13.9 -6.4 135 135 A K S << S+ 0 0 162 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.522 81.3 100.0 -88.8 65.3 31.8 16.5 -7.6 136 136 A S S > S- 0 0 16 -2,-1.5 4,-2.5 1,-0.1 5,-0.2 -0.994 83.5-121.1-148.8 157.6 31.7 18.2 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.909 115.1 61.4 -60.6 -39.1 32.9 20.9 -2.1 138 138 A W H > S+ 0 0 10 1,-0.2 4,-1.7 2,-0.2 8,-0.2 0.952 108.2 41.1 -53.9 -47.3 34.2 18.1 0.2 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 3,-0.4 1,-0.2 7,-0.2 0.983 114.8 50.8 -65.6 -54.6 36.4 16.7 -2.5 140 140 A N H < S+ 0 0 109 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.811 115.3 42.4 -55.4 -37.3 37.6 20.1 -3.7 141 141 A Q H < S+ 0 0 111 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.767 128.7 28.0 -81.5 -26.5 38.6 21.3 -0.3 142 142 A H S X S+ 0 0 21 -4,-1.7 4,-3.2 -3,-0.4 5,-0.3 -0.466 70.4 160.8-130.2 60.8 40.2 18.0 0.8 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.908 74.5 44.5 -54.2 -45.0 41.5 16.4 -2.3 144 144 A N H > S+ 0 0 106 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.962 118.9 40.7 -69.4 -45.6 43.9 14.1 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.941 115.8 50.6 -63.3 -47.7 41.7 12.9 2.0 146 146 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 -8,-0.2 5,-0.3 0.903 107.8 55.1 -59.7 -36.4 38.7 12.7 -0.2 147 147 A K H X S+ 0 0 88 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.882 105.3 51.6 -65.7 -35.7 40.7 10.6 -2.7 148 148 A R H X S+ 0 0 64 -4,-1.4 4,-1.4 -3,-0.3 12,-0.2 0.920 114.0 44.0 -65.2 -40.9 41.6 8.1 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.885 113.1 49.8 -72.5 -42.8 38.0 7.6 1.0 150 150 A I H X S+ 0 0 8 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.890 109.9 51.7 -64.3 -36.0 36.6 7.5 -2.5 151 151 A T H X S+ 0 0 32 -4,-2.1 4,-2.8 -5,-0.3 5,-0.4 0.878 106.5 54.1 -65.3 -38.9 39.2 4.9 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.900 110.2 46.1 -63.3 -38.8 38.2 2.8 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.876 113.6 51.3 -69.8 -33.8 34.6 2.9 -1.7 154 154 A R H < S+ 0 0 90 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 125.2 21.4 -67.7 -44.0 35.7 2.2 -5.3 155 155 A T H < S- 0 0 57 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.664 84.9-136.3 -98.5 -28.6 37.9 -0.9 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.2 -5,-0.4 -62,-0.2 0.789 72.1 104.5 73.8 21.7 36.7 -2.2 -1.2 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.815 79.9-118.7-127.5 171.0 40.4 -2.6 -0.1 158 158 A W S >> S+ 0 0 38 -2,-0.2 3,-2.2 1,-0.2 4,-0.5 0.154 73.6 120.1 -94.9 18.1 42.7 -0.6 2.3 159 159 A D G >4 + 0 0 97 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.789 65.5 58.4 -50.9 -41.1 45.1 0.2 -0.5 160 160 A A G 34 S+ 0 0 30 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.591 108.7 50.1 -64.0 -22.3 44.8 4.0 -0.3 161 161 A Y G <4 S+ 0 0 2 -3,-2.2 2,-0.5 -13,-0.1 -1,-0.3 0.343 80.9 116.4-101.9 -0.1 45.9 3.7 3.3 162 162 A K << 0 0 133 -3,-1.2 0, 0.0 -4,-0.5 0, 0.0 -0.918 360.0 360.0 -97.8 132.5 48.9 1.6 2.8 163 163 A N 0 0 179 -2,-0.5 -2,-0.0 0, 0.0 0, 0.0 -0.125 360.0 360.0 66.5 360.0 51.9 3.3 3.8