==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-MAR-09 3GUI . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 162 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8405.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 50.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 2 1 0 0 1 1 1 0 0 0 0 0 1 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 78 0, 0.0 2,-0.1 0, 0.0 160,-0.0 0.000 360.0 360.0 360.0 174.9 13.2 -24.0 65.5 2 2 A N > - 0 0 71 1,-0.1 4,-2.5 95,-0.0 5,-0.2 -0.446 360.0-106.3 -95.0 170.0 16.8 -24.6 64.6 3 3 A I H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.831 118.6 53.7 -62.1 -33.8 18.6 -23.7 61.5 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 111.0 45.3 -67.0 -43.0 18.8 -27.3 60.3 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.3 1,-0.2 -2,-0.2 0.888 113.2 51.5 -66.0 -38.2 15.0 -27.7 60.6 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.4 0.945 111.7 44.7 -64.6 -48.6 14.4 -24.4 58.9 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 5,-0.4 0.856 107.1 60.5 -67.6 -31.1 16.6 -25.2 55.9 8 8 A R H X S+ 0 0 105 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.851 106.3 48.1 -59.6 -36.7 15.0 -28.7 55.7 9 9 A I H < S+ 0 0 70 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.917 117.3 40.7 -70.0 -44.6 11.7 -27.0 55.2 10 10 A D H < S+ 0 0 13 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.856 128.8 27.7 -73.1 -34.4 13.0 -24.6 52.5 11 11 A E H < S- 0 0 22 -4,-3.0 19,-0.4 -5,-0.1 -3,-0.2 0.658 93.2-148.0-103.3 -23.3 15.2 -27.0 50.6 12 12 A G < - 0 0 29 -4,-1.7 2,-0.4 -5,-0.4 18,-0.2 -0.051 23.5 -92.1 71.2 175.2 13.6 -30.4 51.2 13 13 A L + 0 0 47 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.977 45.5 168.3-129.8 117.7 15.6 -33.7 51.4 14 14 A R E -A 28 0A 116 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -0.999 22.4-160.6-130.3 131.9 16.2 -35.8 48.3 15 15 A L E S+ 0 0 70 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.571 75.5 60.5 -91.1 -9.6 18.7 -38.6 48.1 16 16 A K E S-C 57 0B 106 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.887 100.7 -88.6-115.8 149.1 19.0 -38.7 44.4 17 17 A I E + 0 0 12 39,-2.1 2,-0.3 -2,-0.3 10,-0.2 -0.284 57.3 168.8 -54.1 136.0 20.2 -35.9 42.1 18 18 A Y E -A 26 0A 21 8,-2.4 8,-2.8 6,-0.1 2,-0.5 -0.928 37.4-101.3-144.3 165.3 17.4 -33.7 41.0 19 19 A K E -A 25 0A 121 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.812 35.4-144.0 -94.1 126.5 16.8 -30.4 39.3 20 20 A D > - 0 0 22 4,-2.4 3,-2.0 -2,-0.5 -1,-0.1 -0.074 41.5 -78.0 -73.6-174.6 15.9 -27.5 41.5 21 21 A a T 3 S+ 0 0 73 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.655 134.0 49.1 -59.6 -21.6 13.5 -24.7 40.7 22 22 A E T 3 S- 0 0 65 2,-0.1 -1,-0.3 120,-0.1 120,-0.1 0.282 123.2-103.4-102.1 6.1 16.1 -23.0 38.5 23 23 A G S < S+ 0 0 36 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.550 76.1 139.6 84.9 10.3 16.9 -26.3 36.7 24 24 A Y - 0 0 60 1,-0.1 -4,-2.4 -5,-0.0 -1,-0.3 -0.692 59.2-107.0 -97.7 138.2 20.1 -26.9 38.5 25 25 A Y E +AB 19 34A 24 9,-0.7 8,-2.9 11,-0.4 9,-1.3 -0.417 49.6 164.3 -66.7 128.3 21.3 -30.3 39.7 26 26 A T E -AB 18 32A 4 -8,-2.8 -8,-2.4 6,-0.3 2,-0.3 -0.861 15.4-173.0-140.0 157.9 21.1 -30.5 43.5 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.3 -2,-0.3 2,-0.2 -0.979 52.6 7.0-150.8 165.0 21.2 -33.3 46.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.8 -0.437 123.4 -15.2 70.6-133.9 20.6 -33.7 49.8 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.821 128.4 -44.5-107.8 85.6 19.4 -30.7 51.6 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.742 84.8 157.2 66.8 25.6 20.0 -27.9 49.0 31 31 A H E < -B 27 0A 33 -4,-2.3 -4,-1.8 -20,-0.1 2,-0.3 -0.751 33.5-146.9 -87.6 105.1 23.5 -29.0 48.0 32 32 A L E -B 26 0A 79 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.572 17.9-177.5 -71.6 128.6 24.0 -27.5 44.6 33 33 A L E - 0 0 13 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.860 58.9 -31.5 -93.4 -45.1 26.2 -29.8 42.4 34 34 A T E -B 25 0A 31 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.967 35.0-132.3-167.8 157.2 26.6 -27.8 39.2 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.406 76.0 112.6 -94.6 -0.0 24.8 -25.3 36.9 36 36 A S - 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.458 68.9-139.6 -67.9 140.2 25.8 -27.5 34.0 37 37 A P S S+ 0 0 111 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.479 74.9 106.3 -75.9 -2.2 22.8 -29.3 32.2 38 38 A D >> - 0 0 79 1,-0.2 4,-1.8 2,-0.1 3,-0.7 -0.701 58.5-160.1 -82.8 109.5 25.0 -32.4 31.9 39 39 A L H 3> S+ 0 0 72 -2,-0.8 4,-2.2 1,-0.2 -1,-0.2 0.861 93.2 57.4 -55.5 -36.9 23.7 -35.0 34.4 40 40 A N H 3> S+ 0 0 108 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.837 102.5 53.8 -68.0 -27.8 27.1 -36.8 34.2 41 41 A A H <> S+ 0 0 22 -3,-0.7 4,-2.3 2,-0.2 -1,-0.2 0.896 108.1 50.3 -70.2 -39.7 28.8 -33.6 35.2 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.907 109.6 51.3 -60.1 -42.5 26.6 -33.5 38.3 43 43 A K H X S+ 0 0 54 -4,-2.2 4,-2.2 2,-0.2 11,-0.3 0.892 109.7 49.2 -62.4 -39.2 27.5 -37.1 39.0 44 44 A S H X S+ 0 0 64 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.904 110.2 51.1 -68.3 -38.3 31.2 -36.3 38.8 45 45 A E H X S+ 0 0 67 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 108.7 52.0 -63.5 -38.7 30.8 -33.3 41.1 46 46 A L H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.929 107.4 51.8 -62.1 -45.3 28.9 -35.6 43.6 47 47 A D H X S+ 0 0 43 -4,-2.2 4,-2.2 1,-0.2 5,-0.4 0.844 111.2 48.7 -60.6 -35.1 31.8 -38.1 43.5 48 48 A K H < S+ 0 0 148 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.898 109.9 51.1 -67.1 -42.9 34.2 -35.3 44.3 49 49 A A H < S+ 0 0 43 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.833 121.7 32.0 -65.9 -34.0 32.1 -33.9 47.2 50 50 A I H < S- 0 0 29 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.818 100.5-129.8 -93.2 -36.7 31.9 -37.4 48.9 51 51 A G S < S+ 0 0 68 -4,-2.2 2,-0.3 1,-0.4 -3,-0.2 0.564 77.5 70.0 93.5 9.5 35.3 -38.8 47.8 52 52 A R S S- 0 0 128 -5,-0.4 2,-0.7 -6,-0.2 -1,-0.4 -0.922 96.1 -73.7-147.5 174.1 33.9 -42.0 46.5 53 53 A N + 0 0 135 -2,-0.3 -9,-0.1 1,-0.2 -6,-0.0 -0.620 50.8 159.7 -77.0 109.1 31.8 -43.5 43.7 54 54 A X > - 0 0 29 -2,-0.7 3,-1.5 -11,-0.3 -1,-0.2 0.635 34.8-145.6-106.5 -17.1 28.1 -42.6 44.3 55 55 A N T 3 S- 0 0 105 1,-0.2 3,-0.1 -12,-0.1 -12,-0.1 0.856 73.7 -55.9 45.2 43.1 26.3 -43.0 40.9 56 56 A G T 3 S+ 0 0 5 -13,-0.3 -39,-2.1 1,-0.2 2,-0.4 0.571 119.0 93.7 78.0 10.7 24.0 -40.0 41.7 57 57 A V B < -C 16 0B 79 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.996 47.1-177.6-137.2 138.4 22.6 -41.3 45.0 58 58 A I - 0 0 6 -43,-2.5 2,-0.1 -2,-0.4 -30,-0.1 -0.886 27.4-108.3-129.1 165.1 23.7 -40.8 48.6 59 59 A T > - 0 0 69 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.441 33.0-110.5 -82.4 163.6 22.6 -42.0 52.0 60 60 A K H > S+ 0 0 98 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.910 120.6 55.9 -61.2 -38.2 20.8 -39.7 54.5 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 109.3 44.9 -60.7 -43.2 23.9 -39.8 56.6 62 62 A E H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.896 111.8 53.4 -68.4 -37.4 26.0 -38.5 53.7 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.908 110.0 47.8 -58.5 -45.0 23.3 -35.9 53.0 64 64 A E H X S+ 0 0 57 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.851 108.3 54.4 -68.2 -34.5 23.4 -34.7 56.6 65 65 A K H X S+ 0 0 122 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.942 111.3 44.9 -63.1 -47.9 27.3 -34.6 56.5 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.908 114.4 50.8 -59.2 -41.6 27.1 -32.3 53.4 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.928 109.5 48.1 -64.4 -44.2 24.3 -30.2 55.1 68 68 A N H X S+ 0 0 77 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.884 112.6 49.6 -71.7 -30.7 26.2 -29.7 58.3 69 69 A Q H X S+ 0 0 98 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.899 111.3 49.4 -68.5 -42.0 29.4 -28.7 56.3 70 70 A D H X S+ 0 0 40 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.888 112.5 46.6 -67.3 -39.4 27.3 -26.2 54.3 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.934 111.5 51.7 -66.4 -45.2 25.7 -24.7 57.4 72 72 A D H X S+ 0 0 81 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.903 108.5 51.4 -57.6 -41.2 29.1 -24.5 59.2 73 73 A A H X S+ 0 0 44 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.865 110.5 48.9 -65.3 -35.2 30.6 -22.7 56.1 74 74 A A H X S+ 0 0 5 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.933 114.0 45.5 -69.4 -42.7 27.7 -20.2 56.2 75 75 A V H X S+ 0 0 40 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.955 117.0 42.5 -68.0 -50.1 28.1 -19.5 60.0 76 76 A R H X S+ 0 0 115 -4,-2.9 4,-1.1 1,-0.2 -1,-0.2 0.889 113.0 56.7 -61.3 -37.3 31.9 -19.1 59.9 77 77 A G H < S+ 0 0 1 -4,-1.9 4,-0.4 -5,-0.3 3,-0.3 0.898 109.5 43.9 -60.8 -45.6 31.5 -17.1 56.7 78 78 A I H >< S+ 0 0 4 -4,-2.3 3,-1.4 1,-0.2 7,-0.4 0.945 111.9 52.6 -60.6 -48.6 29.2 -14.6 58.4 79 79 A L H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.568 111.7 43.3 -79.9 -6.3 31.2 -14.3 61.6 80 80 A R T 3< S+ 0 0 186 -4,-1.1 2,-0.5 -3,-0.3 -1,-0.3 0.393 93.7 98.4-106.5 0.3 34.5 -13.5 59.9 81 81 A N <> - 0 0 43 -3,-1.4 4,-2.7 -4,-0.4 -4,-0.0 -0.775 66.8-144.6 -99.3 127.9 33.0 -11.0 57.3 82 82 A A T 4 S+ 0 0 93 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.717 100.1 40.5 -65.3 -25.4 33.3 -7.3 58.1 83 83 A K T > S+ 0 0 122 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.850 121.3 38.9 -83.5 -44.1 29.9 -6.5 56.5 84 84 A L H > S+ 0 0 9 -7,-0.2 4,-2.8 2,-0.2 5,-0.2 0.879 104.5 64.4 -80.1 -35.2 27.9 -9.6 57.8 85 85 A K H X S+ 0 0 86 -4,-2.7 4,-2.8 -7,-0.4 5,-0.2 0.923 102.4 46.8 -61.8 -48.4 29.2 -10.0 61.3 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.877 113.9 50.3 -61.9 -31.6 27.9 -6.6 62.7 87 87 A V H X S+ 0 0 7 -4,-0.7 4,-1.1 2,-0.2 3,-0.2 0.961 111.8 46.6 -67.3 -49.1 24.5 -7.3 61.2 88 88 A Y H >< S+ 0 0 32 -4,-2.8 3,-0.9 1,-0.2 -1,-0.2 0.923 111.1 51.9 -56.8 -47.6 24.3 -10.8 62.6 89 89 A D H 3< S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 110.0 50.9 -59.1 -34.8 25.4 -9.6 66.1 90 90 A S H 3< S+ 0 0 38 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.682 94.9 91.8 -74.7 -21.6 22.7 -6.9 65.9 91 91 A L S << S- 0 0 5 -4,-1.1 2,-0.1 -3,-0.9 31,-0.0 -0.421 76.5-115.0 -82.2 153.3 19.8 -9.3 65.0 92 92 A D > - 0 0 54 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.283 43.3 -92.4 -69.4 167.3 17.4 -11.1 67.3 93 93 A A H > S+ 0 0 58 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.878 122.9 47.6 -53.2 -49.9 17.5 -15.0 67.4 94 94 A V H > S+ 0 0 21 62,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.931 113.4 46.2 -63.5 -48.6 14.9 -15.6 64.8 95 95 A R H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.807 105.1 62.6 -67.8 -25.1 16.3 -13.1 62.2 96 96 A R H X S+ 0 0 80 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.917 104.2 48.6 -61.3 -41.4 19.8 -14.6 62.9 97 97 A X H X S+ 0 0 60 -4,-1.6 4,-2.6 1,-0.2 -2,-0.2 0.907 108.5 52.9 -63.3 -42.3 18.5 -17.9 61.6 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.904 108.3 51.6 -60.8 -37.2 17.1 -16.1 58.5 99 99 A A H X S+ 0 0 14 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.919 110.1 47.1 -64.0 -45.7 20.5 -14.6 57.9 100 100 A I H X S+ 0 0 5 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.921 112.5 51.3 -61.4 -43.2 22.3 -18.0 58.1 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.960 110.0 48.5 -58.6 -50.2 19.6 -19.4 55.7 102 102 A E H X S+ 0 0 4 -4,-2.9 4,-2.8 1,-0.2 5,-0.4 0.894 112.6 47.8 -58.3 -41.8 20.1 -16.6 53.2 103 103 A V H X S+ 0 0 6 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.903 109.7 53.4 -67.5 -40.0 23.9 -17.0 53.3 104 104 A F H < S+ 0 0 29 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.921 116.7 39.5 -55.5 -43.6 23.5 -20.8 52.8 105 105 A Q H < S+ 0 0 35 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 131.9 21.7 -75.2 -42.3 21.3 -20.1 49.8 106 106 A M H < S- 0 0 43 -4,-2.8 4,-0.4 -5,-0.2 -3,-0.2 0.609 103.9-119.7-104.9 -19.9 23.1 -17.2 48.1 107 107 A G X - 0 0 29 -4,-2.4 4,-2.2 -5,-0.4 5,-0.2 0.028 33.3 -76.8 89.6 159.7 26.6 -17.4 49.5 108 108 A V H > S+ 0 0 38 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 130.1 47.0 -58.7 -48.3 28.6 -14.9 51.6 109 109 A T H > S+ 0 0 125 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.888 110.0 54.9 -70.2 -31.9 29.5 -12.6 48.7 110 110 A G H > S+ 0 0 25 -4,-0.4 4,-0.5 2,-0.2 -1,-0.2 0.948 115.4 37.2 -60.7 -48.6 25.9 -12.6 47.5 111 111 A V H >< S+ 0 0 6 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.909 114.3 54.7 -72.5 -39.2 24.5 -11.5 50.8 112 112 A A H 3< S+ 0 0 16 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.775 102.5 60.3 -66.3 -25.1 27.4 -9.1 51.6 113 113 A G H 3< S+ 0 0 54 -4,-1.5 2,-1.9 -5,-0.2 -1,-0.3 0.693 83.5 79.8 -75.9 -18.5 26.7 -7.4 48.3 114 114 A F + 0 0 61 -2,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.824 66.3 57.5 -70.3 -29.1 24.4 -3.5 51.2 116 116 A N H > S+ 0 0 58 -3,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.941 108.0 46.1 -59.8 -50.5 21.0 -1.7 51.3 117 117 A V H > S+ 0 0 1 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.899 111.1 53.8 -61.6 -41.9 19.3 -4.7 52.9 118 118 A L H X S+ 0 0 12 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.906 109.5 46.9 -60.5 -42.6 22.1 -5.0 55.4 119 119 A R H X S+ 0 0 119 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.925 111.6 51.8 -63.6 -43.9 21.7 -1.4 56.5 120 120 A M H <>S+ 0 0 14 -4,-2.5 5,-2.6 1,-0.2 4,-0.4 0.943 111.3 46.8 -59.4 -46.8 18.0 -1.8 56.7 121 121 A L H ><5S+ 0 0 2 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.928 111.3 51.1 -60.0 -46.5 18.3 -4.9 58.9 122 122 A Q H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.824 113.2 47.0 -57.9 -33.1 20.9 -3.1 61.1 123 123 A Q T 3<5S- 0 0 106 -4,-2.0 -1,-0.3 -3,-0.2 -2,-0.2 0.379 114.8-115.5 -92.7 1.8 18.5 -0.2 61.5 124 124 A K T < 5 + 0 0 105 -3,-1.4 2,-1.6 -4,-0.4 3,-0.2 0.722 66.3 145.0 70.2 22.6 15.4 -2.4 62.3 125 125 A R >< + 0 0 73 -5,-2.6 4,-2.3 1,-0.2 -1,-0.2 -0.553 15.8 163.1 -90.8 73.0 13.7 -1.4 59.1 126 126 A W H > + 0 0 51 -2,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.868 66.8 49.7 -67.3 -45.1 12.1 -4.8 58.6 127 127 A D H > S+ 0 0 106 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.916 113.3 48.3 -58.8 -44.9 9.3 -4.0 56.1 128 128 A E H > S+ 0 0 88 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.905 109.8 52.2 -63.7 -42.4 11.8 -2.1 53.9 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.930 111.1 47.1 -60.1 -47.0 14.3 -5.0 54.0 130 130 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.891 110.5 51.5 -62.4 -42.1 11.6 -7.5 53.0 131 131 A V H < S+ 0 0 68 -4,-2.3 4,-0.3 2,-0.2 -1,-0.2 0.936 112.4 47.5 -58.9 -45.4 10.4 -5.3 50.1 132 132 A N H >< S+ 0 0 35 -4,-2.4 3,-1.6 1,-0.2 4,-0.5 0.913 109.3 51.8 -65.3 -41.6 14.0 -5.0 48.9 133 133 A L H >< S+ 0 0 1 -4,-2.5 3,-1.4 1,-0.3 6,-0.5 0.868 102.9 60.8 -62.3 -32.0 14.7 -8.8 49.1 134 134 A A T 3< S+ 0 0 37 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.534 98.9 57.4 -73.2 -6.8 11.5 -9.4 47.1 135 135 A K T < S+ 0 0 145 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.566 88.6 105.8 -90.8 -13.5 13.1 -7.4 44.2 136 136 A S S <> S- 0 0 7 -3,-1.4 4,-2.6 -4,-0.5 5,-0.2 -0.227 76.9-128.4 -72.9 154.4 16.2 -9.7 44.1 137 137 A R H > S+ 0 0 175 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.876 109.7 65.0 -62.5 -37.9 16.9 -12.4 41.5 138 138 A W H > S+ 0 0 27 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.944 112.2 32.0 -49.0 -52.9 17.4 -14.8 44.4 139 139 A Y H >4 S+ 0 0 62 -6,-0.5 3,-0.9 1,-0.2 7,-0.2 0.955 121.0 48.4 -72.4 -49.3 13.7 -14.5 45.3 140 140 A N H 3< S+ 0 0 84 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.793 108.5 52.7 -69.5 -27.5 12.2 -13.9 41.8 141 141 A Q H 3< S+ 0 0 91 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.729 132.1 11.9 -76.8 -19.4 14.0 -16.8 40.1 142 142 A a XX + 0 0 5 -3,-0.9 4,-1.0 -4,-0.6 3,-0.9 -0.450 69.6 171.4-157.0 71.3 12.8 -19.2 42.8 143 143 A P H >> S+ 0 0 50 0, 0.0 4,-2.3 0, 0.0 3,-0.6 0.837 73.4 59.9 -57.5 -37.8 10.1 -17.8 45.1 144 144 A D H 34 S+ 0 0 112 1,-0.2 4,-0.4 2,-0.2 -5,-0.1 0.830 107.0 46.1 -66.4 -29.3 9.1 -20.9 47.0 145 145 A R H <4 S+ 0 0 33 -3,-0.9 -1,-0.2 1,-0.2 4,-0.2 0.731 122.6 35.1 -81.6 -23.5 12.6 -21.4 48.4 146 146 A A H S+ 0 0 64 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.881 110.1 52.6 -74.4 -33.8 9.7 -17.9 54.1 149 149 A V H > S+ 0 0 0 -3,-0.2 4,-2.3 -4,-0.2 -1,-0.2 0.932 110.3 48.2 -63.7 -45.5 13.1 -16.3 54.7 150 150 A I H X S+ 0 0 16 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.936 112.1 48.9 -61.5 -46.8 11.7 -13.0 53.5 151 151 A T H X S+ 0 0 64 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.886 109.5 53.6 -58.7 -39.0 8.6 -13.3 55.7 152 152 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.899 106.0 51.5 -66.6 -41.6 10.8 -14.2 58.7 153 153 A F H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.888 114.2 46.0 -59.9 -37.4 12.9 -11.0 58.2 154 154 A R H < S+ 0 0 109 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.966 125.7 25.8 -69.4 -51.4 9.7 -9.0 58.2 155 155 A T H < S- 0 0 63 -4,-2.9 -3,-0.2 2,-0.2 -2,-0.2 0.763 82.8-142.2 -90.1 -30.6 8.0 -10.5 61.2 156 156 A G < + 0 0 17 -4,-2.6 2,-0.2 -5,-0.3 -62,-0.2 0.673 67.3 106.9 71.0 18.2 10.8 -11.9 63.4 157 157 A T S S- 0 0 50 -6,-0.2 3,-0.4 -5,-0.1 -1,-0.3 -0.753 78.9-122.4-118.8 170.9 8.6 -14.9 64.2 158 158 A W S > S+ 0 0 43 -2,-0.2 3,-2.3 1,-0.2 4,-0.4 0.288 76.7 115.0 -90.0 11.3 8.7 -18.5 63.2 159 159 A D G > + 0 0 109 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.788 67.4 58.0 -59.0 -31.8 5.1 -18.3 61.8 160 160 A A G 3 S+ 0 0 29 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.629 106.8 50.4 -73.2 -12.7 6.1 -19.0 58.2 161 161 A Y G < 0 0 15 -3,-2.3 -1,-0.2 -13,-0.1 -2,-0.2 0.310 360.0 360.0-105.8 2.5 7.7 -22.4 59.3 162 162 A K < 0 0 187 -3,-1.1 -3,-0.0 -4,-0.4 0, 0.0 -0.838 360.0 360.0 -91.4 360.0 4.6 -23.6 61.2