==== 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 3GUJ . 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) . 8469.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 15 9.3 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 . 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 65 0, 0.0 2,-0.2 0, 0.0 160,-0.0 0.000 360.0 360.0 360.0-171.5 13.2 -24.0 65.6 2 2 A N > - 0 0 70 1,-0.1 4,-2.7 95,-0.0 5,-0.2 -0.519 360.0-109.6-100.4 166.5 16.8 -24.6 64.6 3 3 A I H > S+ 0 0 14 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.862 117.8 53.6 -59.4 -36.3 18.6 -23.6 61.4 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 111.3 44.0 -64.2 -45.7 18.8 -27.3 60.3 5 5 A E H > S+ 0 0 100 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.897 114.1 52.7 -65.0 -38.2 15.1 -27.8 60.7 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 3,-0.2 0.942 110.7 44.5 -62.0 -51.8 14.5 -24.5 58.9 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.849 108.2 58.1 -66.2 -31.9 16.7 -25.3 55.9 8 8 A R H X S+ 0 0 120 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.875 107.0 49.7 -62.9 -37.0 15.2 -28.8 55.6 9 9 A I H < S+ 0 0 72 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.941 117.3 39.5 -64.3 -46.1 11.8 -27.1 55.2 10 10 A D H < S+ 0 0 12 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.827 129.5 28.0 -72.1 -34.7 13.0 -24.7 52.5 11 11 A E H < S- 0 0 22 -4,-2.7 19,-0.4 -5,-0.2 -3,-0.2 0.630 94.0-147.6-104.1 -21.4 15.3 -27.1 50.6 12 12 A G < - 0 0 29 -4,-1.8 2,-0.4 -5,-0.4 18,-0.3 0.009 23.4 -89.9 68.1 175.6 13.6 -30.5 51.2 13 13 A L + 0 0 49 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.986 46.2 167.2-125.9 121.7 15.6 -33.7 51.5 14 14 A R E -A 28 0A 116 14,-1.7 14,-2.4 -2,-0.4 4,-0.1 -1.000 22.2-161.3-134.7 130.0 16.3 -35.8 48.3 15 15 A L E S+ 0 0 69 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.502 75.3 59.1 -93.7 -6.8 18.8 -38.7 48.3 16 16 A K E S-C 57 0B 106 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.928 101.1 -86.0-120.4 151.1 19.2 -38.8 44.5 17 17 A I E + 0 0 11 39,-2.2 2,-0.3 -2,-0.3 10,-0.2 -0.260 56.5 170.7 -53.6 131.5 20.4 -36.0 42.1 18 18 A Y E -A 26 0A 23 8,-2.6 8,-2.7 6,-0.1 2,-0.5 -0.933 36.8-105.3-140.5 162.4 17.5 -33.8 41.1 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.801 36.6-142.9 -90.1 126.3 16.9 -30.5 39.2 20 20 A D > - 0 0 24 4,-2.5 3,-2.5 -2,-0.5 -1,-0.1 -0.114 40.0 -77.7 -76.2-175.8 16.0 -27.6 41.5 21 21 A a T 3 S+ 0 0 75 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.726 134.7 48.3 -54.1 -26.5 13.6 -24.8 40.7 22 22 A E T 3 S- 0 0 59 2,-0.1 -1,-0.3 120,-0.1 120,-0.1 0.319 123.8-103.3 -98.9 3.0 16.2 -23.1 38.5 23 23 A G S < S+ 0 0 36 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.521 75.9 139.7 87.0 10.6 17.0 -26.3 36.7 24 24 A Y - 0 0 58 1,-0.1 -4,-2.5 -5,-0.1 -1,-0.3 -0.704 59.6-106.8 -97.0 137.9 20.3 -27.0 38.5 25 25 A Y E +AB 19 34A 22 9,-0.6 8,-2.5 11,-0.4 9,-1.2 -0.383 49.9 165.1 -65.5 127.7 21.5 -30.3 39.8 26 26 A T E -AB 18 32A 4 -8,-2.7 -8,-2.6 6,-0.2 2,-0.3 -0.894 14.4-174.6-141.9 153.9 21.2 -30.6 43.5 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.0 -2,-0.3 2,-0.2 -0.978 51.6 7.1-149.7 161.8 21.3 -33.3 46.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.7 -2,-0.3 2,-0.8 -0.472 123.3 -14.5 73.8-135.5 20.8 -33.8 49.9 29 29 A I T 4 S- 0 0 7 34,-0.4 -1,-0.2 -2,-0.2 -16,-0.1 -0.814 128.9 -44.5-104.8 86.6 19.5 -30.7 51.7 30 30 A G T 4 S+ 0 0 13 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.731 85.1 159.8 65.8 24.3 20.0 -28.0 49.2 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.8 -20,-0.1 2,-0.4 -0.682 32.4-145.4 -83.9 104.8 23.5 -29.0 48.1 32 32 A L E +B 26 0A 82 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.542 20.4 179.3 -67.9 124.2 24.2 -27.5 44.7 33 33 A L E - 0 0 13 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.889 58.6 -32.1 -89.4 -48.8 26.4 -29.8 42.6 34 34 A T E -B 25 0A 31 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.968 34.2-132.9-167.2 155.1 26.7 -27.8 39.3 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.379 75.2 113.3 -93.7 -2.1 24.9 -25.4 37.0 36 36 A S - 0 0 40 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.459 68.3-139.7 -65.1 142.3 25.9 -27.6 34.0 37 37 A P S S+ 0 0 112 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.519 75.2 105.9 -78.5 -5.4 22.9 -29.3 32.2 38 38 A D >> - 0 0 79 1,-0.2 4,-1.6 2,-0.1 3,-0.7 -0.667 58.9-160.2 -80.5 109.0 25.0 -32.4 31.9 39 39 A L H 3> S+ 0 0 71 -2,-0.8 4,-2.3 1,-0.2 -1,-0.2 0.857 93.3 57.7 -56.5 -36.0 23.8 -35.0 34.4 40 40 A N H 3> S+ 0 0 111 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.826 101.9 54.8 -66.8 -29.0 27.1 -36.8 34.2 41 41 A A H <> S+ 0 0 23 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.898 107.9 49.3 -67.1 -41.3 28.9 -33.6 35.3 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.908 109.4 52.5 -60.6 -43.4 26.6 -33.6 38.4 43 43 A K H X S+ 0 0 56 -4,-2.3 4,-2.2 2,-0.2 11,-0.3 0.899 109.7 48.8 -60.0 -40.0 27.5 -37.2 39.1 44 44 A S H X S+ 0 0 62 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.916 110.9 49.8 -67.1 -42.0 31.2 -36.4 38.8 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.891 110.1 51.7 -61.3 -41.3 30.8 -33.4 41.2 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.925 107.5 51.5 -62.0 -46.5 28.9 -35.7 43.7 47 47 A D H X S+ 0 0 40 -4,-2.2 4,-2.2 1,-0.2 5,-0.5 0.856 112.0 47.3 -59.6 -36.6 31.7 -38.3 43.6 48 48 A K H < S+ 0 0 150 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.877 110.4 52.6 -69.6 -39.3 34.2 -35.5 44.4 49 49 A A H < S+ 0 0 42 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.847 121.4 30.6 -67.1 -35.5 32.0 -34.1 47.2 50 50 A I H < S- 0 0 32 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.780 102.5-126.5 -94.6 -32.4 31.7 -37.5 48.9 51 51 A G S < S+ 0 0 70 -4,-2.2 2,-0.2 1,-0.4 -3,-0.2 0.515 78.4 70.2 95.8 7.8 35.1 -39.0 47.9 52 52 A R S S- 0 0 109 -5,-0.5 2,-0.8 -6,-0.2 -1,-0.4 -0.845 95.9 -76.3-142.5 177.0 33.6 -42.2 46.5 53 53 A N + 0 0 127 -2,-0.2 -9,-0.1 1,-0.1 -10,-0.0 -0.730 49.7 164.0 -83.5 104.3 31.6 -43.6 43.5 54 54 A C > - 0 0 9 -2,-0.8 3,-1.9 -11,-0.3 -1,-0.1 0.614 32.8-146.4 -99.6 -14.7 27.9 -42.6 44.2 55 55 A N T 3 S- 0 0 102 1,-0.3 3,-0.1 -12,-0.1 -12,-0.1 0.858 75.2 -54.6 39.2 44.6 26.2 -43.1 40.9 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-2.2 1,-0.1 2,-0.4 0.533 120.3 95.0 80.6 7.3 23.9 -40.1 41.7 57 57 A V B < -C 16 0B 80 -3,-1.9 2,-0.3 -41,-0.2 -41,-0.2 -0.995 46.8-177.7-134.8 134.0 22.6 -41.5 45.0 58 58 A I - 0 0 5 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.866 28.3-106.6-124.2 166.3 23.8 -40.8 48.6 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.451 32.8-111.5 -83.4 159.9 22.8 -42.0 52.1 60 60 A K H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.899 120.7 55.3 -57.8 -39.0 21.0 -39.8 54.5 61 61 A D H > S+ 0 0 123 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.922 108.6 46.6 -61.2 -44.1 24.2 -39.8 56.7 62 62 A E H > S+ 0 0 37 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 111.1 52.8 -62.8 -39.9 26.2 -38.5 53.7 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -34,-0.4 0.904 109.8 48.6 -60.2 -41.0 23.4 -35.9 53.0 64 64 A E H X S+ 0 0 70 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.826 107.9 54.6 -70.3 -33.5 23.7 -34.8 56.6 65 65 A K H X S+ 0 0 138 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.910 110.8 45.1 -60.9 -48.5 27.5 -34.5 56.4 66 66 A L H X S+ 0 0 6 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.880 113.0 52.2 -61.2 -40.4 27.2 -32.2 53.3 67 67 A F H X S+ 0 0 14 -4,-2.0 4,-2.7 2,-0.2 5,-0.3 0.916 109.1 48.9 -64.4 -46.3 24.5 -30.2 55.1 68 68 A N H X S+ 0 0 93 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.928 112.9 48.1 -56.0 -48.0 26.7 -29.8 58.2 69 69 A Q H X S+ 0 0 113 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.897 112.9 48.2 -60.4 -45.2 29.6 -28.6 56.1 70 70 A D H X S+ 0 0 39 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.900 113.4 45.5 -67.7 -42.5 27.4 -26.2 54.1 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.6 2,-0.2 5,-0.2 0.930 112.1 52.8 -67.1 -41.5 25.8 -24.6 57.3 72 72 A D H X S+ 0 0 78 -4,-2.6 4,-2.9 -5,-0.3 5,-0.4 0.917 107.4 51.6 -58.9 -45.5 29.2 -24.4 58.9 73 73 A A H X S+ 0 0 46 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.882 110.7 49.1 -56.9 -40.7 30.5 -22.5 55.8 74 74 A A H X S+ 0 0 5 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.918 114.7 43.9 -65.3 -44.2 27.6 -20.1 56.0 75 75 A V H X S+ 0 0 40 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.947 117.5 42.5 -69.3 -51.5 28.0 -19.4 59.8 76 76 A R H X S+ 0 0 120 -4,-2.9 4,-1.1 -5,-0.2 -1,-0.2 0.863 112.7 58.5 -61.0 -35.0 31.8 -19.0 59.7 77 77 A G H < S+ 0 0 2 -4,-1.8 3,-0.4 -5,-0.4 4,-0.3 0.910 109.3 41.5 -60.4 -47.5 31.3 -17.0 56.5 78 78 A I H >< S+ 0 0 4 -4,-2.3 3,-1.5 1,-0.2 7,-0.5 0.936 112.1 55.5 -61.7 -46.3 29.1 -14.4 58.2 79 79 A L H 3< S+ 0 0 71 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.562 110.0 42.6 -79.9 -9.3 31.2 -14.2 61.4 80 80 A R T 3< S+ 0 0 181 -4,-1.1 2,-0.5 -3,-0.4 -1,-0.3 0.392 93.8 100.4-104.6 -0.6 34.5 -13.3 59.7 81 81 A N <> - 0 0 44 -3,-1.5 4,-2.9 -4,-0.3 -4,-0.0 -0.779 64.3-147.5 -99.6 124.6 33.0 -10.8 57.2 82 82 A A T 4 S+ 0 0 92 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.730 99.6 40.3 -63.1 -26.3 33.3 -7.1 58.0 83 83 A K T > S+ 0 0 135 2,-0.1 4,-0.7 3,-0.1 -1,-0.2 0.879 122.0 38.3 -83.5 -45.6 29.9 -6.3 56.3 84 84 A L H > S+ 0 0 7 -7,-0.2 4,-2.8 1,-0.1 3,-0.2 0.897 105.5 63.4 -78.0 -39.3 27.9 -9.3 57.5 85 85 A K H X S+ 0 0 85 -4,-2.9 4,-3.0 -7,-0.5 5,-0.3 0.918 101.0 48.1 -56.2 -54.2 29.2 -9.7 61.1 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.861 114.8 48.1 -59.7 -32.2 28.0 -6.4 62.6 87 87 A V H >X S+ 0 0 8 -4,-0.7 4,-1.3 -3,-0.2 3,-0.7 0.969 111.2 49.1 -68.1 -52.3 24.5 -6.9 61.1 88 88 A Y H >< S+ 0 0 30 -4,-2.8 3,-1.0 1,-0.3 -3,-0.2 0.940 110.5 51.5 -50.5 -50.6 24.3 -10.5 62.4 89 89 A D H 3< S+ 0 0 72 -4,-3.0 -1,-0.3 1,-0.2 -2,-0.2 0.814 108.5 53.6 -55.5 -31.4 25.3 -9.4 65.9 90 90 A S H << S+ 0 0 40 -4,-1.2 -1,-0.2 -3,-0.7 -2,-0.2 0.730 93.5 91.4 -77.5 -24.9 22.6 -6.7 65.7 91 91 A L S << S- 0 0 8 -4,-1.3 2,-0.1 -3,-1.0 31,-0.0 -0.366 78.6-111.8 -76.2 151.4 19.7 -9.1 64.9 92 92 A D > - 0 0 58 -2,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.322 43.5 -95.1 -66.6 161.9 17.4 -11.0 67.2 93 93 A A H > S+ 0 0 59 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.880 122.0 46.4 -53.3 -50.9 17.7 -14.8 67.4 94 94 A V H > S+ 0 0 23 62,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.928 113.1 48.8 -62.1 -47.1 15.0 -15.7 64.9 95 95 A R H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.823 104.9 60.4 -64.8 -27.1 16.2 -13.2 62.3 96 96 A R H X S+ 0 0 81 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.904 103.5 51.1 -62.3 -42.1 19.8 -14.5 62.8 97 97 A X H X S+ 0 0 65 -4,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.928 108.6 50.8 -59.5 -45.1 18.5 -17.9 61.6 98 98 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 -2,-0.2 0.903 108.6 53.3 -59.2 -38.5 17.0 -16.2 58.6 99 99 A A H X S+ 0 0 12 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.930 109.6 46.5 -59.4 -49.3 20.5 -14.6 58.0 100 100 A I H X S+ 0 0 4 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.933 112.6 51.2 -60.2 -43.6 22.2 -18.0 58.1 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.943 109.3 49.6 -57.0 -52.8 19.6 -19.4 55.7 102 102 A E H X S+ 0 0 6 -4,-2.9 4,-2.9 1,-0.2 5,-0.3 0.906 112.2 48.0 -54.7 -46.5 20.0 -16.5 53.2 103 103 A V H X S+ 0 0 7 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.882 109.2 53.3 -63.7 -41.1 23.8 -17.0 53.2 104 104 A F H < S+ 0 0 30 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.920 116.5 40.4 -56.3 -42.3 23.4 -20.8 52.7 105 105 A Q H < S+ 0 0 32 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.914 130.4 23.2 -74.4 -42.9 21.2 -20.1 49.7 106 106 A M H < S- 0 0 44 -4,-2.9 4,-0.3 -5,-0.2 -3,-0.2 0.667 102.6-120.0-100.6 -24.2 23.0 -17.1 48.1 107 107 A G X - 0 0 30 -4,-2.4 4,-2.2 -5,-0.3 5,-0.2 0.028 33.6 -79.4 89.4 157.2 26.6 -17.4 49.3 108 108 A V H > S+ 0 0 39 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.935 128.2 47.3 -57.8 -52.8 28.6 -14.8 51.3 109 109 A T H > S+ 0 0 128 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.882 110.6 53.4 -64.7 -32.7 29.5 -12.5 48.4 110 110 A G H > S+ 0 0 25 -4,-0.3 4,-0.5 2,-0.2 3,-0.2 0.947 115.0 39.2 -64.8 -47.1 25.9 -12.5 47.1 111 111 A V H >< S+ 0 0 6 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.902 113.1 54.7 -68.3 -42.3 24.4 -11.5 50.5 112 112 A A H 3< S+ 0 0 18 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.729 101.1 62.6 -66.7 -21.1 27.2 -9.0 51.3 113 113 A G H 3< S+ 0 0 52 -4,-1.2 2,-2.0 -5,-0.3 -1,-0.3 0.742 81.7 81.1 -74.8 -23.6 26.5 -7.3 47.9 114 114 A F + 0 0 69 -2,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.877 66.7 54.1 -65.4 -37.8 24.2 -3.3 50.9 116 116 A N H > S+ 0 0 75 -3,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.924 108.1 47.5 -62.1 -49.9 20.8 -1.6 51.1 117 117 A V H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.880 110.4 54.4 -60.8 -38.8 19.0 -4.6 52.7 118 118 A L H X S+ 0 0 16 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.930 109.8 45.9 -60.8 -46.2 21.8 -5.0 55.2 119 119 A R H X S+ 0 0 108 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.901 112.0 52.2 -61.9 -42.8 21.4 -1.4 56.3 120 120 A M H <>S+ 0 0 12 -4,-2.5 5,-2.8 2,-0.2 -2,-0.2 0.885 111.3 46.5 -63.5 -40.9 17.6 -1.8 56.5 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.936 111.3 50.8 -65.0 -45.3 18.0 -4.9 58.7 122 122 A Q H 3<5S+ 0 0 92 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.815 114.0 47.1 -61.8 -28.8 20.6 -3.1 60.9 123 123 A Q T 3<5S- 0 0 103 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.275 113.3-116.2 -97.7 7.3 18.0 -0.2 61.1 124 124 A K T < 5 + 0 0 106 -3,-1.6 2,-1.4 1,-0.2 3,-0.2 0.740 67.0 142.9 68.1 21.5 14.9 -2.4 61.9 125 125 A R >< + 0 0 73 -5,-2.8 4,-2.3 1,-0.2 -1,-0.2 -0.626 18.0 163.4 -90.1 73.3 13.2 -1.4 58.7 126 126 A W H > + 0 0 49 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.897 67.2 48.7 -67.5 -45.2 11.8 -5.0 58.3 127 127 A D H > S+ 0 0 106 -3,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 113.9 47.7 -61.0 -44.9 9.0 -4.2 55.7 128 128 A E H > S+ 0 0 88 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.909 109.7 53.8 -61.6 -43.2 11.4 -2.3 53.5 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.911 111.0 45.9 -58.0 -44.3 14.0 -5.1 53.8 130 130 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.912 110.1 51.5 -68.2 -45.0 11.4 -7.7 52.6 131 131 A V H < S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.925 113.5 46.3 -57.1 -46.3 10.1 -5.6 49.7 132 132 A N H >< S+ 0 0 39 -4,-2.2 3,-1.6 1,-0.2 4,-0.4 0.891 109.2 53.7 -64.6 -43.7 13.7 -5.1 48.5 133 133 A L H >< S+ 0 0 1 -4,-2.3 3,-1.3 1,-0.3 6,-0.5 0.866 102.4 60.8 -55.6 -34.2 14.5 -8.9 49.0 134 134 A A T 3< S+ 0 0 34 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.453 96.9 59.3 -76.6 -2.2 11.5 -9.6 46.8 135 135 A K T < S+ 0 0 147 -3,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.538 86.3 105.1 -94.5 -13.1 13.1 -7.7 43.9 136 136 A S S <> S- 0 0 6 -3,-1.3 4,-2.4 -4,-0.4 5,-0.2 -0.239 77.8-129.1 -68.8 155.7 16.2 -10.0 43.9 137 137 A R H > S+ 0 0 172 2,-0.2 4,-2.8 3,-0.2 5,-0.3 0.861 110.0 67.5 -64.4 -34.6 16.8 -12.7 41.3 138 138 A W H > S+ 0 0 25 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.940 111.8 28.9 -48.9 -56.3 17.3 -14.9 44.4 139 139 A Y H >4 S+ 0 0 63 -6,-0.5 3,-0.8 1,-0.2 7,-0.2 0.941 122.0 50.4 -70.9 -49.2 13.6 -14.6 45.3 140 140 A N H 3< S+ 0 0 84 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.2 0.796 108.2 50.6 -67.6 -30.1 12.1 -14.1 41.8 141 141 A Q H 3< S+ 0 0 86 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.691 132.6 13.3 -78.2 -18.5 13.9 -17.1 40.1 142 142 A a XX + 0 0 4 -3,-0.8 4,-0.9 -4,-0.6 3,-0.9 -0.426 69.6 168.5-157.5 67.9 12.8 -19.5 42.9 143 143 A P H >> S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 3,-0.7 0.852 73.1 59.9 -57.2 -40.8 10.1 -18.0 45.2 144 144 A D H 34 S+ 0 0 113 1,-0.2 4,-0.4 2,-0.2 -5,-0.1 0.802 106.7 47.2 -62.7 -28.6 9.0 -21.1 47.0 145 145 A R H <4 S+ 0 0 33 -3,-0.9 -1,-0.2 -6,-0.1 4,-0.2 0.721 122.6 33.6 -82.7 -22.9 12.5 -21.6 48.5 146 146 A A H S+ 0 0 61 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.862 109.7 53.6 -72.2 -33.1 9.6 -18.2 54.2 149 149 A V H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.929 110.0 47.8 -62.6 -46.0 13.0 -16.5 54.8 150 150 A I H X S+ 0 0 9 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.951 112.2 48.8 -59.4 -50.9 11.6 -13.1 53.6 151 151 A T H X S+ 0 0 60 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.889 108.9 54.2 -54.4 -41.0 8.5 -13.5 55.8 152 152 A T H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.891 106.8 50.1 -65.3 -39.3 10.8 -14.3 58.7 153 153 A F H < S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.0 50.3 -61.4 -38.4 12.8 -11.1 58.2 154 154 A R H < S+ 0 0 100 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.914 126.2 21.4 -65.5 -41.6 9.4 -9.3 58.1 155 155 A T H < S- 0 0 62 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.719 81.7-139.5-104.3 -29.8 8.0 -10.8 61.4 156 156 A G < + 0 0 16 -4,-2.7 2,-0.3 1,-0.3 -62,-0.3 0.734 69.6 107.1 65.3 23.6 10.9 -12.1 63.5 157 157 A T S S- 0 0 52 -6,-0.2 3,-0.4 -5,-0.2 -1,-0.3 -0.785 79.9-121.3-119.5 171.6 8.8 -15.1 64.4 158 158 A W S >> S+ 0 0 40 -2,-0.3 3,-2.2 1,-0.2 4,-0.6 0.273 76.6 116.2 -90.4 11.5 8.9 -18.8 63.4 159 159 A D G >4 + 0 0 118 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.760 67.1 57.8 -55.8 -34.6 5.3 -18.5 62.0 160 160 A A G 34 S+ 0 0 29 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.641 108.8 47.8 -70.3 -16.4 6.2 -19.3 58.4 161 161 A Y G <4 0 0 14 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.462 360.0 360.0-105.5 -6.4 7.8 -22.6 59.5 162 162 A K << 0 0 178 -3,-0.7 0, 0.0 -4,-0.6 0, 0.0 -0.673 360.0 360.0 -81.2 360.0 4.9 -23.8 61.7