==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-FEB-08 3C80 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR B.H.M.MOOERS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 74.7 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 . 10 6.2 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 . 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 2 0 1 0 3 0 0 1 1 1 0 0 0 0 0 0 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 1 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 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.8 42.8 -1.8 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.3 95,-0.0 5,-0.2 -0.878 360.0 -78.3-150.3 177.7 39.5 -0.8 10.8 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.867 126.1 49.9 -53.6 -39.8 37.4 2.4 11.3 4 4 A F H > S+ 0 0 70 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.933 112.4 44.3 -67.9 -46.2 39.7 3.7 14.1 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.868 114.2 53.7 -66.1 -33.9 42.9 3.2 12.3 6 6 A M H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 3,-0.4 0.957 113.2 39.0 -66.2 -51.6 41.3 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.789 109.5 62.1 -70.5 -25.7 40.1 7.9 10.9 8 8 A R H X S+ 0 0 100 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.864 108.3 44.6 -66.6 -33.0 43.3 8.2 12.9 9 9 A I H < S+ 0 0 86 -4,-1.3 -2,-0.2 -3,-0.4 -1,-0.2 0.938 117.8 41.8 -75.8 -48.7 45.1 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.834 124.6 35.6 -68.6 -31.4 42.7 11.0 8.0 11 11 A E H < S- 0 0 37 -4,-2.6 19,-0.4 -5,-0.2 -1,-0.2 0.703 93.2-152.6 -95.1 -25.8 42.3 13.1 11.2 12 12 A G < - 0 0 23 -4,-1.5 2,-0.4 -5,-0.3 -1,-0.1 -0.174 21.7 -90.5 77.4-176.4 45.7 13.0 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.954 45.9 162.7-139.6 116.0 46.4 13.3 16.5 14 14 A R E -A 28 0A 142 14,-1.6 14,-2.5 -2,-0.4 4,-0.1 -0.997 23.6-160.8-138.8 128.9 47.1 16.7 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.4 12,-0.2 2,-0.4 0.415 73.3 69.8 -89.5 -2.0 46.9 17.3 21.9 16 16 A K E S-C 57 0B 138 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.926 98.6 -93.6-117.5 141.7 46.6 21.1 21.8 17 17 A I E + 0 0 30 39,-2.2 2,-0.3 -2,-0.4 10,-0.2 -0.262 57.6 167.6 -51.6 136.3 43.5 22.9 20.5 18 18 A Y E -A 26 0A 28 8,-4.0 8,-4.6 -4,-0.1 2,-0.4 -0.856 37.5 -98.3-142.8 175.4 44.0 23.7 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.3 2,-0.0 -0.839 36.7-138.2-100.9 137.0 42.0 24.8 13.8 20 20 A D > - 0 0 44 4,-2.2 3,-3.1 -2,-0.4 -1,-0.0 -0.199 39.8 -80.1 -85.1-179.0 40.8 22.2 11.4 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.742 135.4 48.9 -52.1 -24.8 40.7 22.4 7.6 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.439 123.2-107.1 -94.0 -2.8 37.5 24.5 7.9 23 23 A G S < S+ 0 0 39 -3,-3.1 2,-0.4 1,-0.3 -2,-0.1 0.681 73.2 140.0 85.9 18.8 39.2 26.8 10.4 24 24 A Y - 0 0 78 1,-0.1 -4,-2.2 13,-0.0 -1,-0.3 -0.810 62.0 -96.7-102.3 138.2 37.2 25.4 13.4 25 25 A Y E +A 19 0A 38 11,-0.4 8,-2.8 9,-0.4 9,-1.1 -0.239 56.3 166.2 -53.6 120.8 38.6 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-4.6 -8,-4.0 6,-0.2 2,-0.3 -0.913 18.7-169.8-139.3 161.2 39.5 21.2 17.2 27 27 A I E > - B 0 31A 0 4,-1.5 4,-1.9 -2,-0.3 2,-0.2 -0.982 51.9 -5.6-149.1 157.7 41.5 18.8 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.5 -14,-1.6 -2,-0.3 2,-0.8 -0.371 123.0 -3.3 64.2-124.8 42.8 15.2 19.6 29 29 A I T 4 S- 0 0 6 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.2 -0.610 126.7 -55.5-105.6 72.5 41.6 13.0 16.7 30 30 A G T 4 S+ 0 0 13 -2,-0.8 2,-1.2 -19,-0.4 -2,-0.2 0.764 81.8 160.0 67.0 28.3 39.3 15.3 14.8 31 31 A H E < -B 27 0A 31 -4,-1.9 -4,-1.5 -20,-0.1 -1,-0.2 -0.698 34.4-143.4 -85.2 99.9 37.1 16.1 17.8 32 32 A L E -B 26 0A 73 -2,-1.2 -6,-0.2 -6,-0.2 3,-0.1 -0.395 17.1-171.9 -61.2 129.1 35.4 19.3 16.7 33 33 A L - 0 0 10 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.881 58.2 -32.7 -92.4 -43.1 35.0 21.6 19.7 34 34 A T - 0 0 30 -9,-1.1 -9,-0.4 2,-0.1 -1,-0.4 -0.971 35.5-129.3-171.2 158.4 32.9 24.4 18.2 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.425 75.5 116.1 -94.3 0.8 32.1 26.4 15.1 36 36 A S - 0 0 37 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.481 69.5-137.2 -75.3 139.3 32.6 29.5 17.1 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.459 78.7 101.5 -71.4 -2.1 35.4 31.9 16.3 38 38 A S > - 0 0 52 1,-0.1 4,-2.0 -13,-0.0 3,-0.4 -0.785 57.9-162.2 -95.3 116.3 36.0 32.3 20.0 39 39 A L H > S+ 0 0 63 -2,-0.7 4,-2.4 1,-0.3 -1,-0.1 0.778 94.5 55.2 -62.4 -28.8 38.9 30.3 21.5 40 40 A N H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.863 104.8 52.5 -73.4 -34.2 37.4 30.7 25.0 41 41 A A H > S+ 0 0 32 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.929 110.9 48.9 -63.8 -41.7 34.2 29.2 23.8 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.922 109.2 51.7 -61.7 -47.3 36.3 26.3 22.5 43 43 A K H X S+ 0 0 56 -4,-2.4 4,-2.3 1,-0.2 11,-0.3 0.866 108.3 51.5 -59.8 -37.5 38.1 26.0 25.8 44 44 A S H X S+ 0 0 71 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.948 110.2 48.4 -65.2 -47.2 34.8 25.8 27.6 45 45 A E H X S+ 0 0 71 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.917 110.5 54.2 -59.5 -39.0 33.6 23.1 25.4 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.951 109.8 43.1 -60.5 -51.8 36.9 21.3 25.9 47 47 A D H X>S+ 0 0 31 -4,-2.3 4,-2.8 1,-0.2 5,-1.2 0.861 114.5 52.5 -62.9 -36.0 36.7 21.3 29.7 48 48 A K H <5S+ 0 0 141 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.919 111.5 46.8 -64.9 -42.9 33.1 20.3 29.5 49 49 A A H <5S+ 0 0 42 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.889 121.5 35.0 -64.6 -42.5 34.0 17.4 27.2 50 50 A I H <5S- 0 0 37 -4,-2.4 -2,-0.2 2,-0.3 -1,-0.2 0.786 104.0-123.1 -84.5 -33.9 36.9 16.1 29.3 51 51 A G T <5S+ 0 0 67 -4,-2.8 2,-0.3 1,-0.4 -3,-0.2 0.767 80.2 65.4 93.0 29.3 35.5 16.9 32.7 52 52 A R S - 0 0 8 -2,-1.0 3,-1.7 -11,-0.3 -1,-0.2 0.602 33.8-140.2 -92.8 -16.7 42.4 21.5 30.4 55 55 A N T 3 S- 0 0 131 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.906 74.1 -53.2 54.2 42.7 43.6 24.9 29.5 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-2.2 1,-0.1 2,-0.4 0.502 121.4 98.0 73.7 6.0 43.4 23.9 25.9 57 57 A V B < +C 16 0B 51 -3,-1.7 2,-0.3 -41,-0.2 -41,-0.2 -0.983 44.4 175.6-130.5 139.8 45.6 20.8 26.3 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.829 27.7-106.4-132.9 171.2 44.7 17.1 26.7 59 59 A T > - 0 0 66 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.482 32.1-108.3 -94.9 169.5 46.5 13.8 27.0 60 60 A K H > S+ 0 0 105 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.900 121.3 50.5 -62.6 -42.6 46.7 10.9 24.4 61 61 A D H > S+ 0 0 122 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.932 111.2 49.2 -60.5 -46.5 44.3 8.7 26.5 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.912 109.3 51.7 -60.5 -43.0 41.9 11.6 26.7 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 1,-0.2 -34,-0.4 0.955 111.3 47.2 -58.5 -49.4 42.1 12.2 22.9 64 64 A E H X S+ 0 0 78 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.840 108.4 56.6 -61.3 -34.5 41.4 8.5 22.3 65 65 A K H X S+ 0 0 145 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.948 110.2 42.8 -63.9 -46.6 38.5 8.6 24.8 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.884 111.9 57.9 -64.8 -36.8 36.8 11.4 22.8 67 67 A F H X S+ 0 0 8 -4,-2.3 4,-3.1 -5,-0.2 5,-0.3 0.934 106.2 46.5 -58.9 -50.5 37.7 9.6 19.6 68 68 A N H X S+ 0 0 77 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.921 112.9 49.8 -61.9 -40.0 35.8 6.4 20.6 69 69 A Q H X S+ 0 0 102 -4,-1.9 4,-2.4 -5,-0.2 -1,-0.2 0.926 114.0 46.6 -62.4 -42.7 32.7 8.5 21.7 70 70 A D H X S+ 0 0 34 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.927 111.8 48.4 -66.2 -46.4 32.8 10.3 18.4 71 71 A V H X S+ 0 0 4 -4,-3.1 4,-1.9 1,-0.2 5,-0.2 0.972 114.9 46.9 -58.2 -51.0 33.2 7.2 16.3 72 72 A D H X S+ 0 0 103 -4,-2.8 4,-2.8 -5,-0.3 5,-0.3 0.896 109.2 53.8 -57.2 -40.6 30.4 5.6 18.2 73 73 A A H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.909 106.5 53.1 -60.6 -43.9 28.3 8.8 17.8 74 74 A A H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.905 111.8 44.7 -58.8 -42.7 28.8 8.7 14.1 75 75 A V H X S+ 0 0 30 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.946 111.6 50.5 -68.2 -48.1 27.6 5.1 13.8 76 76 A R H X S+ 0 0 134 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.905 110.5 54.1 -56.9 -36.8 24.6 5.5 16.1 77 77 A G H >X S+ 0 0 11 -4,-2.3 4,-0.8 -5,-0.3 3,-0.7 0.950 108.8 45.6 -61.0 -51.5 23.8 8.5 13.9 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.2 7,-0.5 0.960 111.1 54.5 -56.7 -49.6 23.9 6.5 10.8 79 79 A L H 3< S+ 0 0 58 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.734 111.8 43.7 -57.9 -25.3 21.8 3.8 12.4 80 80 A R H << S+ 0 0 176 -4,-1.4 2,-0.7 -3,-0.7 -1,-0.3 0.440 91.4 97.5-101.6 -0.4 19.1 6.3 13.4 81 81 A N S+ 0 0 139 2,-0.1 4,-0.5 1,-0.1 -1,-0.2 0.845 118.7 41.5 -86.5 -33.6 18.3 7.8 4.8 84 84 A L H > S+ 0 0 0 -3,-0.2 4,-2.6 -6,-0.2 3,-0.4 0.862 100.6 69.2 -81.7 -39.3 21.6 6.4 6.0 85 85 A K H X S+ 0 0 78 -4,-3.0 4,-3.2 -7,-0.5 5,-0.3 0.914 97.5 49.3 -49.4 -51.5 20.5 3.2 7.6 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.891 113.7 47.2 -60.3 -34.5 19.5 1.3 4.5 87 87 A V H >X S+ 0 0 1 -4,-0.5 4,-0.9 -3,-0.4 3,-0.6 0.980 113.4 47.0 -69.0 -51.1 22.8 2.1 2.8 88 88 A Y H >< S+ 0 0 29 -4,-2.6 3,-1.2 1,-0.3 -1,-0.2 0.923 112.2 50.5 -54.4 -49.0 24.9 1.2 5.7 89 89 A D H 3< S+ 0 0 93 -4,-3.2 -1,-0.3 -5,-0.3 -2,-0.2 0.812 108.1 54.5 -62.7 -25.8 23.0 -2.0 6.1 90 90 A S H << S+ 0 0 37 -4,-1.4 -1,-0.3 -3,-0.6 2,-0.2 0.599 97.0 83.9 -81.9 -13.4 23.5 -2.8 2.5 91 91 A L S << S- 0 0 11 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.643 77.6-117.3 -97.8 155.0 27.2 -2.5 2.5 92 92 A D > - 0 0 57 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.295 44.3 -95.1 -74.4 165.2 30.0 -4.9 3.5 93 93 A A H > S+ 0 0 58 2,-0.2 4,-1.0 1,-0.2 -1,-0.1 0.825 120.5 51.6 -55.6 -37.7 32.2 -3.9 6.4 94 94 A V H >> S+ 0 0 32 1,-0.2 3,-1.6 62,-0.2 4,-0.9 0.999 111.6 45.1 -65.0 -59.5 35.0 -2.3 4.5 95 95 A R H >> S+ 0 0 28 1,-0.3 3,-1.3 2,-0.2 4,-1.2 0.877 106.5 59.5 -52.2 -42.7 32.7 0.0 2.5 96 96 A Y H 3X S+ 0 0 66 -4,-2.4 4,-2.9 1,-0.3 -1,-0.3 0.824 95.2 63.5 -61.8 -20.9 30.7 1.1 5.5 97 97 A C H S+ 0 0 69 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.934 126.6 48.8 -51.9 -58.9 24.9 12.9 9.5 109 109 A T H > S+ 0 0 117 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.903 109.0 55.8 -53.6 -41.9 22.7 15.5 7.8 110 110 A G H >4 S+ 0 0 34 -4,-0.4 3,-1.2 1,-0.2 -2,-0.2 0.966 113.8 36.9 -55.1 -58.6 25.5 16.4 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.7 1,-0.3 -1,-0.2 0.865 107.4 64.8 -63.1 -39.1 26.0 12.9 4.1 112 112 A A H 3< S+ 0 0 13 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.739 95.3 64.7 -57.3 -19.3 22.3 12.1 4.2 113 113 A G T << S+ 0 0 51 -3,-1.2 2,-2.0 -4,-0.8 -1,-0.3 0.572 72.4 91.4 -80.9 -10.6 22.1 14.8 1.6 114 114 A F <> + 0 0 39 -3,-2.7 4,-2.9 1,-0.2 5,-0.2 -0.377 52.2 161.6 -82.6 58.7 24.2 12.8 -1.0 115 115 A T H > + 0 0 86 -2,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.888 67.9 44.4 -43.4 -59.1 21.0 11.4 -2.4 116 116 A N H > S+ 0 0 101 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.844 115.3 45.2 -58.5 -44.3 22.4 10.3 -5.7 117 117 A S H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.914 110.8 55.6 -68.4 -43.0 25.6 8.7 -4.4 118 118 A L H X S+ 0 0 10 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.948 108.5 47.4 -54.3 -51.1 23.8 7.0 -1.7 119 119 A R H X S+ 0 0 142 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.910 111.6 49.7 -57.2 -46.1 21.5 5.3 -4.2 120 120 A M H X>S+ 0 0 37 -4,-1.9 5,-2.6 2,-0.2 4,-0.5 0.895 112.3 49.2 -61.9 -38.9 24.4 4.3 -6.4 121 121 A L H ><5S+ 0 0 1 -4,-2.9 3,-1.5 2,-0.2 -2,-0.2 0.955 111.4 47.8 -64.2 -48.5 26.1 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 84 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.902 111.3 51.8 -59.2 -37.8 22.9 1.0 -2.4 123 123 A Q H 3<5S- 0 0 64 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.573 111.2-126.2 -75.2 -9.6 22.7 -0.2 -6.0 124 124 A K T <<5 + 0 0 96 -3,-1.5 2,-1.2 -4,-0.5 -3,-0.2 0.817 61.0 146.0 65.9 33.2 26.3 -1.4 -5.7 125 125 A R >< + 0 0 115 -5,-2.6 4,-2.3 1,-0.2 -1,-0.2 -0.678 23.8 176.1 -99.2 71.6 27.2 0.5 -8.8 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.810 68.7 43.7 -48.2 -50.8 30.7 1.2 -7.4 127 127 A D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.913 116.2 48.8 -68.7 -41.6 32.5 3.1 -10.2 128 128 A E H > S+ 0 0 111 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.876 111.2 49.7 -64.7 -38.3 29.4 5.2 -10.9 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.932 108.0 53.9 -63.2 -49.2 29.0 6.1 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.0 1,-0.2 -1,-0.2 0.851 109.7 47.9 -56.0 -38.8 32.7 7.0 -6.9 131 131 A V H >X S+ 0 0 85 -4,-1.7 3,-0.5 2,-0.2 4,-0.5 0.948 113.0 47.1 -69.5 -46.8 32.3 9.4 -9.8 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.903 106.6 58.7 -62.0 -40.7 29.2 11.0 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.3 1,-0.3 -1,-0.2 0.822 100.3 57.8 -57.6 -34.3 30.8 11.3 -4.9 134 134 A A H << S+ 0 0 24 -4,-1.0 2,-1.9 -3,-0.5 -1,-0.3 0.615 82.4 82.7 -75.1 -13.9 33.6 13.4 -6.4 135 135 A K S << S+ 0 0 162 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.2 -0.566 80.8 100.6 -88.6 72.0 31.3 16.1 -7.8 136 136 A S S > S- 0 0 19 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.999 85.5-117.5-156.5 153.2 31.2 17.8 -4.4 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.7 1,-0.2 5,-0.3 0.936 115.5 61.5 -56.4 -44.4 32.5 20.6 -2.3 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.9 2,-0.2 8,-0.2 0.901 105.5 43.6 -44.7 -53.9 33.9 17.8 -0.0 139 139 A Y H 4 S+ 0 0 63 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.901 116.1 48.4 -64.3 -41.4 36.1 16.4 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.804 115.9 42.7 -70.2 -30.7 37.2 19.8 -3.9 141 141 A Q H < S+ 0 0 105 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.845 133.2 18.5 -85.8 -36.3 38.1 21.0 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.9 4,-2.8 -5,-0.3 5,-0.2 -0.477 75.2 160.8-133.8 66.2 39.8 17.8 0.9 143 143 A P H > + 0 0 48 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.806 69.8 51.3 -54.5 -43.2 40.7 16.0 -2.3 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.957 116.2 39.6 -66.6 -48.1 43.3 13.6 -0.9 145 145 A R H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.944 115.4 52.9 -65.7 -44.7 41.2 12.3 1.9 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.1 1,-0.2 5,-0.2 0.906 106.4 54.7 -57.3 -39.0 38.1 12.2 -0.3 147 147 A K H X S+ 0 0 102 -4,-2.3 4,-2.7 -5,-0.2 -1,-0.2 0.900 108.7 48.2 -61.0 -38.7 40.1 10.2 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.7 4,-2.3 -3,-0.2 12,-0.2 0.966 114.5 44.6 -64.7 -52.1 40.9 7.6 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.924 115.6 47.6 -59.3 -44.9 37.4 7.4 1.1 150 150 A I H X S+ 0 0 15 -4,-3.1 4,-3.0 -5,-0.2 -1,-0.2 0.908 109.6 52.2 -64.7 -42.4 36.0 7.2 -2.4 151 151 A T H X S+ 0 0 41 -4,-2.7 4,-2.4 -5,-0.2 5,-0.4 0.890 108.1 54.2 -61.1 -35.2 38.6 4.5 -3.4 152 152 A T H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.939 110.3 44.6 -62.9 -47.5 37.4 2.6 -0.4 153 153 A F H < S+ 0 0 0 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 114.8 50.8 -63.6 -43.9 33.8 2.7 -1.5 154 154 A R H < S+ 0 0 104 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.888 124.3 22.0 -61.4 -43.7 34.8 1.8 -5.1 155 155 A T H < S- 0 0 38 -4,-2.4 -2,-0.2 2,-0.2 -1,-0.2 0.666 84.9-136.0-101.6 -22.8 36.9 -1.2 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.4 -62,-0.2 0.761 72.4 104.9 70.2 21.9 35.8 -2.5 -1.0 157 157 A T S S- 0 0 47 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.826 79.5-120.0-126.7 169.0 39.5 -3.0 -0.0 158 158 A W S > S+ 0 0 31 -2,-0.3 3,-2.2 1,-0.2 4,-0.3 0.125 71.2 122.4 -97.0 20.1 41.8 -1.0 2.2 159 159 A D G > + 0 0 98 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.835 66.5 58.3 -48.7 -43.5 44.3 -0.2 -0.5 160 160 A A G 3 S+ 0 0 30 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.576 104.6 53.9 -68.5 -8.1 44.0 3.5 -0.1 161 161 A Y G < 0 0 19 -3,-2.2 -1,-0.3 1,-0.1 -2,-0.2 0.374 360.0 360.0-108.7 7.4 45.1 3.2 3.5 162 162 A K < 0 0 179 -3,-1.7 -2,-0.2 -4,-0.3 -1,-0.1 0.198 360.0 360.0-125.6 360.0 48.3 1.2 2.9