==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-APR-03 1P56 . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.SAGERMANN,L.GAY,W.A.BAASE,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8438.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 0 1 2 1 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.3 22.9 36.3 89.4 2 2 A N > - 0 0 69 156,-0.0 4,-3.0 95,-0.0 5,-0.2 -0.922 360.0 -78.4-158.2 178.8 20.4 34.0 90.9 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.826 126.9 50.8 -61.4 -32.9 16.7 33.6 91.4 4 4 A F H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 114.6 41.6 -70.7 -47.3 16.7 36.0 94.3 5 5 A E H > S+ 0 0 99 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.865 114.2 54.1 -64.8 -38.3 18.6 38.7 92.5 6 6 A M H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -1,-0.2 0.948 112.5 41.4 -62.4 -49.8 16.6 38.2 89.4 7 7 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 5,-0.4 0.871 109.2 59.3 -67.7 -31.9 13.3 38.6 91.2 8 8 A R H X S+ 0 0 102 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.900 108.2 46.7 -64.4 -34.7 14.6 41.5 93.2 9 9 A I H < S+ 0 0 82 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.912 116.2 43.8 -70.4 -44.5 15.3 43.2 89.8 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.799 123.5 33.2 -69.6 -34.5 11.9 42.4 88.4 11 11 A E H < S- 0 0 35 -4,-2.7 19,-0.4 1,-0.2 -1,-0.2 0.623 91.9-151.1 -97.7 -22.7 9.8 43.2 91.5 12 12 A G < - 0 0 20 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.2 -0.179 23.5 -90.4 75.6-175.8 11.7 46.1 93.1 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.952 44.1 169.6-141.1 117.4 11.6 46.8 96.8 14 14 A R E -A 28 0A 127 14,-1.7 14,-2.2 -2,-0.4 4,-0.1 -0.999 20.3-161.2-131.9 132.6 9.0 49.0 98.4 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.494 73.6 64.0 -95.1 -5.6 8.5 49.3 102.2 16 16 A K E S-C 57 0B 92 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.865 102.2 -84.5-118.0 151.5 5.1 50.8 102.1 17 17 A I E + 0 0 20 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.294 59.0 172.1 -55.0 132.1 1.9 49.2 100.8 18 18 A Y E -A 26 0A 26 8,-3.4 8,-3.2 -4,-0.1 2,-0.4 -0.881 32.2 -99.7-136.9 170.0 1.7 49.7 97.0 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.851 33.4-123.7-101.1 140.5 -0.4 48.6 94.2 20 20 A D > - 0 0 51 4,-3.2 3,-1.9 -2,-0.4 -1,-0.1 0.036 35.7 -97.6 -54.0 171.6 0.6 45.9 91.7 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.744 133.7 51.3 -67.8 -19.4 0.8 46.3 87.9 22 22 A E T 3 S- 0 0 78 2,-0.2 -1,-0.3 0, 0.0 -2,-0.0 0.431 126.1-105.6 -94.4 -2.4 -2.6 44.7 88.3 23 23 A G S < S+ 0 0 36 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.581 74.6 137.5 89.0 13.8 -3.8 47.3 90.8 24 24 A Y - 0 0 80 1,-0.1 -4,-3.2 9,-0.0 -1,-0.3 -0.754 62.3 -99.3-101.1 144.2 -3.6 44.9 93.8 25 25 A Y E +AB 19 34A 37 9,-0.7 8,-2.7 11,-0.5 9,-1.4 -0.367 56.1 158.7 -63.2 128.7 -2.2 45.8 97.3 26 26 A T E -AB 18 32A 0 -8,-3.2 -8,-3.4 6,-0.3 2,-0.3 -0.886 19.9-167.4-144.4 166.2 1.3 44.6 97.6 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.3 -2,-0.3 2,-0.2 -0.979 50.7 6.4-155.4 163.5 4.4 45.3 99.7 28 28 A G E 4 S-A 14 0A 1 -14,-2.2 -14,-1.7 -2,-0.3 2,-0.8 -0.443 122.2 -7.2 72.5-132.0 8.1 44.5 99.8 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.2 -0.681 129.1 -51.7-103.4 70.2 9.5 42.6 96.9 30 30 A G T 4 S+ 0 0 13 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.795 83.7 162.8 67.5 35.6 6.3 41.8 95.1 31 31 A H E < -B 27 0A 32 -4,-2.3 -4,-1.7 -20,-0.1 -1,-0.2 -0.713 32.3-141.9 -89.6 101.7 4.5 40.3 98.1 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.427 20.1-177.1 -63.8 125.7 0.8 40.3 97.1 33 33 A L E - 0 0 10 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.844 58.4 -32.4 -91.4 -42.7 -1.3 41.2 100.1 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.911 33.4-133.6-175.4 151.1 -4.8 40.8 98.7 35 35 A K S S+ 0 0 140 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.546 74.8 117.0 -88.4 -6.4 -6.8 41.2 95.6 36 36 A S - 0 0 36 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.254 69.8-134.7 -62.6 145.3 -9.4 43.1 97.7 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.660 78.1 101.0 -73.6 -17.5 -10.2 46.7 97.0 38 38 A S > - 0 0 65 1,-0.2 4,-1.7 2,-0.0 5,-0.1 -0.582 57.7-161.5 -76.4 123.8 -10.0 47.5 100.7 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.8 1,-0.2 5,-0.2 0.888 97.4 55.6 -66.0 -37.3 -6.8 49.1 102.0 40 40 A N H > S+ 0 0 128 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.906 104.0 53.5 -62.9 -38.2 -7.8 47.9 105.5 41 41 A A H > S+ 0 0 32 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 109.8 48.2 -59.7 -42.2 -8.1 44.4 104.2 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 2,-0.2 -2,-0.2 0.903 109.3 51.6 -65.2 -43.4 -4.6 44.7 102.9 43 43 A K H X S+ 0 0 51 -4,-2.8 4,-2.6 1,-0.2 11,-0.2 0.908 108.9 52.4 -63.3 -37.6 -3.3 46.1 106.2 44 44 A S H X S+ 0 0 73 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.920 110.4 46.3 -61.1 -48.8 -4.9 43.2 108.0 45 45 A E H X S+ 0 0 74 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.910 111.8 54.0 -60.7 -41.4 -3.2 40.6 105.7 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 5,-0.3 0.939 108.6 46.5 -58.6 -50.5 0.0 42.5 106.2 47 47 A D H X>S+ 0 0 38 -4,-2.6 4,-2.2 1,-0.2 5,-1.2 0.910 113.4 49.2 -59.6 -39.9 -0.1 42.4 110.0 48 48 A K H <5S+ 0 0 141 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.898 111.7 50.4 -64.3 -41.2 -1.0 38.7 109.9 49 49 A A H <5S+ 0 0 35 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.840 120.3 33.9 -61.8 -41.5 2.0 38.1 107.5 50 50 A I H <5S- 0 0 15 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.682 102.8-124.2 -91.9 -27.6 4.5 39.9 109.6 51 51 A G T <5S+ 0 0 67 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.783 78.3 70.5 86.8 25.3 3.2 39.1 113.0 52 52 A R S - 0 0 5 -2,-1.1 3,-1.4 -11,-0.2 -1,-0.2 0.683 32.5-144.0 -86.2 -22.9 2.6 47.4 111.0 55 55 A N T 3 S- 0 0 109 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.867 73.1 -53.2 57.4 34.7 0.2 50.1 110.0 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.426 117.5 98.1 86.9 0.1 1.2 49.5 106.3 57 57 A V B < +C 16 0B 70 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.964 43.8 175.4-128.0 140.3 4.9 49.8 106.7 58 58 A I - 0 0 4 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.848 26.9-109.3-132.3 168.8 7.7 47.3 107.0 59 59 A T > - 0 0 68 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.471 32.7-107.2 -92.1 169.0 11.4 47.1 107.2 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.895 120.8 51.3 -62.1 -41.2 13.9 45.8 104.7 61 61 A D H > S+ 0 0 120 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.908 109.8 49.9 -61.0 -43.3 14.5 42.7 106.7 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.914 109.6 51.6 -63.2 -41.6 10.8 42.0 107.0 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.4 1,-0.2 -34,-0.4 0.920 110.8 48.5 -60.6 -41.4 10.4 42.5 103.2 64 64 A E H X S+ 0 0 62 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.856 107.4 55.8 -70.6 -31.0 13.3 40.0 102.6 65 65 A K H X S+ 0 0 106 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.953 110.0 43.4 -66.2 -45.9 11.7 37.6 105.0 66 66 A L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.921 113.7 55.0 -63.3 -35.6 8.4 37.6 103.0 67 67 A F H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.918 105.9 48.8 -62.0 -49.2 10.5 37.4 99.9 68 68 A N H X S+ 0 0 72 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.921 112.9 48.3 -59.9 -41.2 12.4 34.4 100.9 69 69 A Q H X S+ 0 0 100 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.905 111.5 51.2 -64.3 -40.3 9.1 32.7 101.9 70 70 A D H X S+ 0 0 34 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.895 110.6 47.4 -64.8 -42.0 7.6 33.6 98.6 71 71 A V H X S+ 0 0 3 -4,-2.7 4,-2.4 2,-0.2 5,-0.2 0.963 112.3 50.0 -63.9 -46.8 10.5 32.2 96.6 72 72 A D H X S+ 0 0 90 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.929 109.6 52.6 -57.0 -42.0 10.4 29.1 98.6 73 73 A A H X S+ 0 0 43 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.879 105.5 53.4 -65.1 -37.5 6.7 28.8 98.0 74 74 A A H X S+ 0 0 8 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.945 111.2 45.5 -62.6 -45.7 7.1 29.2 94.3 75 75 A V H X S+ 0 0 30 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.962 112.4 51.3 -61.8 -46.6 9.6 26.3 94.1 76 76 A R H X S+ 0 0 134 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.897 108.2 53.7 -58.5 -34.9 7.4 24.2 96.3 77 77 A G H X S+ 0 0 2 -4,-2.5 4,-1.0 1,-0.2 3,-0.3 0.931 108.7 47.6 -64.4 -47.6 4.5 25.0 94.1 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 7,-0.4 0.902 109.2 53.5 -57.4 -48.2 6.4 23.8 91.1 79 79 A L H 3< S+ 0 0 75 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.796 111.1 46.8 -61.9 -29.5 7.6 20.6 92.7 80 80 A R H 3< S+ 0 0 161 -4,-1.5 2,-0.5 -3,-0.3 -1,-0.3 0.565 92.9 92.7 -86.0 -18.6 4.1 19.7 93.7 81 81 A N S+ 0 0 127 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.840 120.3 41.1 -87.4 -33.8 2.6 19.7 84.9 84 84 A L H > S+ 0 0 0 -7,-0.1 4,-2.6 1,-0.1 3,-0.4 0.902 102.6 64.3 -80.3 -44.1 5.3 21.9 86.2 85 85 A K H X S+ 0 0 80 -4,-3.1 4,-3.2 -7,-0.4 5,-0.2 0.890 99.8 50.9 -50.3 -48.8 7.6 19.4 87.9 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.891 113.2 46.6 -62.8 -33.4 8.6 17.5 84.8 87 87 A V H >X S+ 0 0 0 -4,-0.6 4,-0.7 -3,-0.4 3,-0.6 0.962 113.0 48.3 -68.4 -51.8 9.6 20.6 83.0 88 88 A Y H >< S+ 0 0 33 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.949 110.3 52.4 -52.4 -50.3 11.4 22.1 86.0 89 89 A D H 3< S+ 0 0 71 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.754 107.5 53.3 -61.0 -25.1 13.3 18.8 86.4 90 90 A S H << S+ 0 0 38 -4,-1.0 -1,-0.3 -3,-0.6 2,-0.2 0.586 96.4 86.5 -84.2 -13.7 14.4 18.8 82.8 91 91 A L S << S- 0 0 5 -3,-1.8 2,-0.0 -4,-0.7 31,-0.0 -0.607 76.2-117.3 -93.5 159.5 15.8 22.3 82.9 92 92 A D > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.221 45.4 -92.1 -78.2 171.6 19.3 23.6 83.8 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.838 122.5 49.7 -59.2 -42.2 19.6 26.0 86.7 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.930 113.3 45.8 -64.8 -46.2 19.3 29.2 84.8 95 95 A R H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.867 107.4 58.6 -66.7 -31.4 16.2 28.1 83.0 96 96 A R H X S+ 0 0 80 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.929 102.7 55.0 -59.8 -39.5 14.8 26.8 86.3 97 97 A A H X S+ 0 0 5 -4,-1.9 4,-2.8 1,-0.2 -1,-0.2 0.891 104.3 53.1 -58.1 -45.3 15.1 30.3 87.6 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.907 109.8 48.2 -59.4 -41.7 13.1 31.7 84.7 99 99 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.911 110.5 51.0 -66.0 -40.3 10.3 29.2 85.5 100 100 A I H X S+ 0 0 7 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.933 108.3 54.1 -60.5 -43.7 10.4 30.1 89.2 101 101 A N H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.947 108.6 47.6 -55.8 -50.1 10.1 33.7 88.2 102 102 A M H X S+ 0 0 2 -4,-2.2 4,-3.3 2,-0.2 5,-0.5 0.948 112.8 47.4 -58.5 -46.9 7.0 33.1 86.2 103 103 A V H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.923 110.0 54.4 -61.4 -39.6 5.3 31.1 88.9 104 104 A F H < S+ 0 0 30 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.929 115.9 40.0 -56.8 -42.6 6.3 33.9 91.4 105 105 A Q H < S+ 0 0 57 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.881 133.9 14.4 -75.0 -47.9 4.5 36.3 89.1 106 106 A M H X S- 0 0 55 -4,-3.3 4,-0.6 -5,-0.2 -3,-0.2 0.456 105.2-110.8-115.7 -0.9 1.4 34.5 88.0 107 107 A G H X - 0 0 30 -4,-2.4 4,-2.4 -5,-0.5 5,-0.2 0.250 32.8 -78.3 83.8 152.2 1.1 31.6 90.3 108 108 A E H > S+ 0 0 50 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.845 127.8 50.6 -48.6 -47.3 1.5 27.8 89.8 109 109 A T H > S+ 0 0 119 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.908 108.4 50.4 -64.2 -44.6 -1.8 27.5 88.2 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.8 1,-0.2 4,-0.3 0.950 114.9 42.6 -60.7 -49.4 -1.3 30.2 85.7 111 111 A V H >< S+ 0 0 1 -4,-2.4 3,-2.0 1,-0.2 -1,-0.2 0.878 105.5 63.0 -63.6 -40.7 2.0 28.9 84.5 112 112 A A H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.731 96.7 62.1 -61.8 -16.3 0.8 25.2 84.5 113 113 A G T << S+ 0 0 52 -4,-0.9 2,-3.2 -3,-0.8 3,-0.3 0.677 73.2 93.0 -84.2 -15.1 -1.7 26.2 81.8 114 114 A F <> + 0 0 48 -3,-2.0 4,-2.8 -4,-0.3 5,-0.3 -0.305 54.0 161.5 -73.4 61.4 1.0 27.2 79.3 115 115 A T H > + 0 0 73 -2,-3.2 4,-2.0 1,-0.2 -1,-0.2 0.879 66.0 43.2 -49.8 -51.5 0.8 23.7 77.9 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.926 115.7 48.6 -66.6 -44.5 2.4 24.3 74.6 117 117 A S H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.940 111.4 50.4 -60.7 -47.4 5.2 26.5 76.0 118 118 A L H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.900 109.7 51.2 -57.9 -41.5 5.9 24.0 78.7 119 119 A R H X S+ 0 0 103 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.919 109.5 48.8 -63.6 -41.9 6.1 21.2 76.2 120 120 A M H <>S+ 0 0 32 -4,-2.2 5,-2.4 2,-0.2 4,-0.3 0.875 110.4 52.8 -65.6 -35.7 8.5 23.1 74.0 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.964 108.5 48.4 -63.3 -50.6 10.6 23.8 77.0 122 122 A Q H 3<5S+ 0 0 85 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.849 111.0 52.1 -56.0 -34.8 10.8 20.2 77.9 123 123 A Q T 3<5S- 0 0 84 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.465 110.5-126.5 -78.9 -6.5 11.7 19.5 74.3 124 124 A K T < 5 + 0 0 99 -3,-2.3 2,-1.2 -4,-0.3 -3,-0.2 0.796 59.7 147.1 58.4 37.1 14.5 22.1 74.5 125 125 A R >< + 0 0 124 -5,-2.4 4,-2.8 1,-0.2 5,-0.2 -0.677 21.9 175.7 -97.8 76.1 13.2 23.9 71.5 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.852 69.8 44.5 -53.2 -49.8 14.3 27.2 72.9 127 127 A D H > S+ 0 0 102 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.956 115.4 48.5 -67.8 -43.0 13.5 29.5 70.1 128 128 A E H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.904 111.4 49.8 -59.5 -47.8 10.2 28.0 69.5 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.936 108.5 52.6 -56.9 -45.4 9.3 28.1 73.2 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.894 109.6 50.2 -63.0 -35.5 10.3 31.8 73.4 131 131 A V H < S+ 0 0 88 -4,-2.1 4,-0.4 1,-0.2 3,-0.3 0.927 112.6 45.3 -66.6 -46.8 8.0 32.5 70.4 132 132 A N H >< S+ 0 0 38 -4,-2.4 3,-1.5 1,-0.2 -2,-0.2 0.880 106.7 60.1 -60.8 -42.1 5.1 30.7 72.0 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.3 1,-0.3 -1,-0.2 0.814 99.3 57.5 -58.1 -34.2 5.6 32.3 75.4 134 134 A A T 3< S+ 0 0 26 -4,-1.1 2,-2.0 -3,-0.3 -1,-0.3 0.650 83.4 84.8 -75.1 -14.5 5.2 35.8 74.0 135 135 A K S < S+ 0 0 157 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 -0.458 80.1 95.0 -83.9 63.4 1.7 35.0 72.7 136 136 A S S > S- 0 0 21 -2,-2.0 4,-2.1 1,-0.1 5,-0.2 -0.992 86.1-116.1-150.3 157.9 0.2 35.8 76.0 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-3.6 1,-0.2 5,-0.4 0.919 115.4 63.4 -60.4 -39.3 -1.6 38.4 78.1 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.929 105.2 42.8 -44.5 -58.1 1.5 38.1 80.3 139 139 A Y H 4 S+ 0 0 61 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.926 116.1 47.5 -60.8 -45.5 3.8 39.4 77.6 140 140 A N H < S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.900 116.7 42.7 -69.6 -36.8 1.4 42.1 76.5 141 141 A Q H < S+ 0 0 102 -4,-3.6 -2,-0.2 1,-0.2 -1,-0.2 0.839 133.6 19.2 -77.1 -33.7 0.7 43.4 80.0 142 142 A T S X S+ 0 0 19 -4,-2.6 4,-2.8 -5,-0.4 -1,-0.2 -0.521 74.4 158.8-134.5 67.8 4.4 43.2 81.2 143 143 A P H > S+ 0 0 44 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.825 70.8 50.5 -61.5 -42.4 6.4 43.1 78.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.945 116.9 40.7 -67.8 -39.0 9.8 44.3 79.5 145 145 A R H > S+ 0 0 25 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.944 116.0 49.8 -68.4 -49.8 9.7 41.8 82.3 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 -8,-0.2 5,-0.3 0.916 107.9 55.3 -55.6 -42.7 8.4 39.0 80.0 147 147 A K H X S+ 0 0 83 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.912 107.4 50.0 -58.3 -41.5 11.1 39.8 77.5 148 148 A R H X S+ 0 0 69 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.929 113.9 42.9 -62.1 -49.3 13.7 39.3 80.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.945 114.2 51.2 -66.4 -43.4 12.4 35.9 81.4 150 150 A I H X S+ 0 0 15 -4,-3.3 4,-2.4 -5,-0.2 -1,-0.2 0.909 108.7 51.8 -58.5 -41.8 11.8 34.7 77.8 151 151 A T H X S+ 0 0 37 -4,-2.4 4,-2.5 -5,-0.3 6,-0.4 0.894 107.3 53.6 -60.7 -40.9 15.4 35.7 76.9 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.921 110.9 44.6 -61.3 -46.5 16.5 33.7 79.9 153 153 A F H < S+ 0 0 1 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.854 113.7 52.6 -65.3 -36.0 14.6 30.6 78.7 154 154 A R H < S+ 0 0 106 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.941 123.9 21.6 -63.5 -47.4 15.9 31.2 75.1 155 155 A T H < S- 0 0 43 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.570 85.8-133.7-100.0 -21.1 19.6 31.4 75.9 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.739 75.1 105.7 69.0 15.7 20.0 29.7 79.2 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.783 78.2-123.5-120.4 173.5 22.2 32.7 80.3 158 158 A W > + 0 0 39 -2,-0.2 3,-2.7 1,-0.2 4,-0.4 0.119 68.7 123.7-100.3 21.3 21.6 35.7 82.5 159 159 A D G > + 0 0 96 1,-0.3 3,-1.1 3,-0.2 -1,-0.2 0.814 67.9 58.4 -54.1 -33.8 22.3 38.3 79.8 160 160 A A G 3 S+ 0 0 31 -3,-0.3 -1,-0.3 2,-0.3 -2,-0.1 0.608 108.1 46.3 -70.6 -13.2 19.0 39.9 80.3 161 161 A Y G < 0 0 10 -3,-2.7 -1,-0.2 -13,-0.1 -2,-0.2 0.326 360.0 360.0-112.7 7.2 19.7 40.7 83.9 162 162 A K < 0 0 228 -3,-1.1 -2,-0.3 -4,-0.4 -3,-0.2 0.622 360.0 360.0 -88.4 360.0 23.3 42.0 83.2