==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-08 3DNA . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8983.0 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 . 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 . 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 1 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 X 0 0 71 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 142.9 42.7 -1.9 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.913 360.0 -82.4-152.2 176.5 39.5 -0.8 10.7 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.834 125.8 51.0 -56.8 -36.7 37.4 2.4 11.1 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.953 113.1 43.1 -66.4 -49.7 39.5 3.6 14.0 5 5 A E H > S+ 0 0 96 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.873 115.3 52.2 -63.1 -37.2 42.8 3.2 12.1 6 6 A X H X S+ 0 0 0 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.942 113.2 40.9 -64.9 -51.1 41.2 4.7 9.0 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.4 0.846 110.4 59.7 -68.6 -31.9 39.9 7.8 10.8 8 8 A R H X S+ 0 0 102 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.902 108.5 45.2 -60.3 -41.3 43.2 8.1 12.7 9 9 A I H < S+ 0 0 84 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.945 118.0 42.4 -63.8 -49.6 45.0 8.4 9.4 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.815 124.6 33.4 -70.0 -33.7 42.5 10.9 7.9 11 11 A E H < S- 0 0 40 -4,-2.9 19,-0.4 1,-0.2 -1,-0.2 0.698 92.6-153.7 -98.3 -23.4 42.1 13.1 11.0 12 12 A G < - 0 0 22 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.2 -0.223 23.4 -88.4 74.4-172.1 45.6 12.9 12.6 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.950 44.6 166.9-140.9 119.4 46.2 13.4 16.3 14 14 A R E -A 28 0A 144 14,-1.6 14,-2.3 -2,-0.4 4,-0.1 -0.997 21.4-160.6-134.2 130.6 46.8 16.7 18.0 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.538 74.3 63.1 -91.4 -8.1 46.7 17.2 21.7 16 16 A K E S-C 57 0B 137 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.878 102.0 -84.3-114.2 150.1 46.2 21.0 21.7 17 17 A I E + 0 0 32 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.268 58.1 169.4 -52.3 128.0 43.3 22.9 20.2 18 18 A Y E -A 26 0A 26 8,-2.8 8,-3.2 -4,-0.1 2,-0.5 -0.873 36.7-104.7-133.7 167.7 43.8 23.4 16.5 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.840 35.2-136.3 -96.7 133.8 41.6 24.7 13.6 20 20 A D > - 0 0 44 4,-2.9 3,-1.9 -2,-0.5 -1,-0.1 -0.004 41.7 -77.4 -75.2-171.8 40.3 22.0 11.2 21 21 A T T 3 S+ 0 0 106 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.745 134.9 49.7 -61.6 -24.3 40.3 22.2 7.4 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.416 123.6-103.0 -93.7 -1.1 37.2 24.5 7.7 23 23 A G S < S+ 0 0 38 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.616 75.8 139.8 88.5 17.4 38.9 26.8 10.2 24 24 A Y - 0 0 77 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.773 61.1-101.6-101.2 137.9 36.9 25.4 13.2 25 25 A Y E +A 19 0A 36 9,-0.4 8,-2.8 11,-0.4 9,-1.3 -0.305 54.6 161.5 -59.8 129.8 38.4 24.7 16.6 26 26 A T E -AB 18 32A 2 -8,-3.2 -8,-2.8 6,-0.3 2,-0.3 -0.912 19.6-164.4-146.5 158.7 39.1 21.0 17.0 27 27 A I E > - B 0 31A 0 4,-2.0 4,-2.5 -2,-0.3 -12,-0.2 -0.976 51.5 -0.9-146.8 163.1 41.1 18.7 19.2 28 28 A G E 4 S-A 14 0A 1 -14,-2.3 -14,-1.6 -2,-0.3 2,-1.0 -0.363 124.2 -3.9 68.8-129.1 42.4 15.2 19.4 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.668 129.3 -54.1-102.3 73.4 41.5 13.0 16.4 30 30 A G T 4 S+ 0 0 12 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.821 81.8 163.0 63.7 34.1 39.2 15.4 14.6 31 31 A H E < -B 27 0A 32 -4,-2.5 -4,-2.0 -20,-0.1 -1,-0.2 -0.756 32.4-142.6 -85.2 102.3 36.9 16.1 17.5 32 32 A L E -B 26 0A 71 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.448 18.7-174.6 -63.9 128.2 35.2 19.3 16.5 33 33 A L - 0 0 12 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.895 58.4 -33.5 -90.6 -50.2 34.7 21.6 19.5 34 34 A T - 0 0 31 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.978 35.3-130.1-165.5 158.3 32.6 24.4 18.0 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.478 75.6 115.6 -91.9 -3.9 32.1 26.5 14.9 36 36 A S - 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.391 69.0-138.2 -65.9 136.4 32.4 29.6 17.0 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.537 76.7 105.1 -69.5 -6.3 35.3 31.9 16.2 38 38 A S > - 0 0 48 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.687 57.0-163.1 -83.2 115.9 35.8 32.3 20.0 39 39 A L H > S+ 0 0 73 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.860 94.8 56.1 -61.9 -36.2 38.8 30.3 21.3 40 40 A N H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.886 104.9 51.2 -62.4 -39.9 37.2 30.7 24.8 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.898 112.0 48.0 -62.2 -40.7 34.0 29.1 23.6 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.903 109.1 51.6 -66.0 -44.8 36.1 26.3 22.2 43 43 A K H X S+ 0 0 46 -4,-2.7 4,-2.6 2,-0.2 11,-0.3 0.871 109.7 51.9 -59.3 -37.7 38.1 25.9 25.5 44 44 A S H X S+ 0 0 69 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.937 109.3 48.1 -64.6 -48.1 34.7 25.7 27.3 45 45 A E H X S+ 0 0 68 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.887 111.6 51.7 -58.5 -40.7 33.4 23.0 25.0 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.947 109.7 47.7 -61.6 -50.4 36.7 21.1 25.5 47 47 A D H X>S+ 0 0 35 -4,-2.6 4,-2.8 1,-0.2 5,-0.8 0.903 112.3 50.9 -55.4 -43.3 36.4 21.3 29.3 48 48 A K H <5S+ 0 0 141 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.7 47.7 -61.7 -41.9 32.8 20.1 29.0 49 49 A A H <5S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.856 120.2 35.9 -67.2 -37.1 33.9 17.2 26.8 50 50 A I H <5S- 0 0 34 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.764 101.8-125.6 -93.3 -29.5 36.7 16.1 29.1 51 51 A G T <5S+ 0 0 69 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.643 78.5 69.2 91.4 18.2 35.2 16.8 32.5 52 52 A R S - 0 0 9 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.703 31.7-142.6 -90.8 -24.7 42.0 21.5 30.4 55 55 A N T 3 S- 0 0 118 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.847 73.3 -56.4 55.0 37.1 43.3 25.0 29.3 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.523 118.5 98.9 80.7 7.9 43.2 23.8 25.7 57 57 A V B < +C 16 0B 66 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.988 44.1 177.2-130.3 137.3 45.4 20.7 26.1 58 58 A I - 0 0 5 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.848 27.5-108.7-130.4 169.0 44.5 17.1 26.5 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.468 33.6-107.6 -90.9 167.4 46.3 13.7 26.9 60 60 A K H > S+ 0 0 115 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.910 121.4 52.7 -59.1 -43.6 46.5 11.0 24.2 61 61 A D H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 109.8 48.1 -58.7 -44.9 44.1 8.8 26.4 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.913 111.1 51.2 -62.5 -43.7 41.6 11.7 26.5 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.925 111.4 47.6 -57.1 -45.7 41.9 12.2 22.8 64 64 A E H X S+ 0 0 86 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.843 108.3 55.3 -67.9 -33.2 41.2 8.5 22.2 65 65 A K H X S+ 0 0 138 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.953 110.1 44.8 -62.4 -50.9 38.3 8.5 24.6 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.901 112.8 53.8 -56.9 -42.2 36.6 11.3 22.6 67 67 A F H X S+ 0 0 11 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.935 107.3 49.1 -59.7 -49.7 37.5 9.5 19.4 68 68 A N H X S+ 0 0 94 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.905 113.9 46.9 -56.0 -44.2 35.8 6.3 20.6 69 69 A Q H X S+ 0 0 100 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.905 111.7 51.1 -64.5 -42.5 32.7 8.3 21.6 70 70 A D H X S+ 0 0 35 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.900 111.8 45.4 -64.6 -43.5 32.7 10.1 18.3 71 71 A V H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.940 114.4 49.7 -63.0 -48.7 32.9 6.9 16.2 72 72 A D H X S+ 0 0 92 -4,-2.3 4,-2.6 -5,-0.2 -2,-0.2 0.933 112.8 46.5 -53.5 -51.5 30.2 5.3 18.3 73 73 A A H X S+ 0 0 62 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.868 110.1 54.6 -61.2 -39.6 27.9 8.3 17.9 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.944 112.4 41.3 -60.3 -51.7 28.6 8.5 14.2 75 75 A V H X S+ 0 0 29 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.920 115.0 51.1 -63.8 -45.4 27.5 4.8 13.6 76 76 A R H X S+ 0 0 139 -4,-2.6 4,-1.9 -5,-0.2 -2,-0.2 0.897 107.6 54.2 -58.9 -42.0 24.6 5.1 16.0 77 77 A G H X S+ 0 0 2 -4,-2.6 4,-0.7 1,-0.2 -1,-0.2 0.887 106.8 51.4 -56.8 -43.5 23.4 8.3 14.2 78 78 A I H >< S+ 0 0 5 -4,-1.7 3,-1.0 1,-0.2 7,-0.4 0.937 111.4 46.1 -58.7 -49.0 23.5 6.3 10.9 79 79 A L H 3< S+ 0 0 65 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.782 110.6 53.7 -68.3 -27.0 21.3 3.5 12.3 80 80 A R H 3< S+ 0 0 175 -4,-1.9 2,-0.6 -5,-0.2 -1,-0.3 0.615 92.3 89.4 -79.5 -15.7 18.9 6.1 13.9 81 81 A N S+ 0 0 168 2,-0.1 4,-0.6 1,-0.1 -1,-0.2 0.855 119.7 42.4 -83.8 -39.4 17.2 7.1 5.1 84 84 A L H > S+ 0 0 17 -6,-0.2 4,-2.7 1,-0.2 3,-0.2 0.841 101.0 69.1 -78.3 -36.4 20.8 6.2 6.0 85 85 A K H X S+ 0 0 88 -4,-2.9 4,-3.0 -7,-0.4 5,-0.2 0.879 98.0 48.5 -53.6 -49.5 20.2 2.9 7.8 86 86 A P H > S+ 0 0 55 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.875 113.5 48.1 -62.9 -36.8 19.1 0.9 4.8 87 87 A V H X S+ 0 0 11 -4,-0.6 4,-0.7 -3,-0.2 3,-0.2 0.944 113.5 47.4 -66.3 -47.3 22.1 2.0 2.7 88 88 A Y H >< S+ 0 0 30 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.939 111.4 50.4 -56.4 -49.9 24.4 1.3 5.6 89 89 A D H 3< S+ 0 0 70 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.782 104.9 58.6 -61.9 -28.4 22.9 -2.2 6.1 90 90 A S H 3< S+ 0 0 35 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.670 95.2 87.7 -73.8 -18.2 23.2 -3.0 2.4 91 91 A L S << S- 0 0 6 -3,-1.5 2,-0.1 -4,-0.7 31,-0.0 -0.459 77.7-118.7 -86.9 154.0 27.0 -2.4 2.6 92 92 A D > - 0 0 52 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.359 42.7 -95.0 -73.9 168.2 29.8 -4.8 3.4 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.808 121.7 52.1 -62.4 -35.1 32.1 -4.0 6.5 94 94 A V H > S+ 0 0 29 2,-0.2 4,-1.5 1,-0.2 3,-0.3 0.957 113.4 43.0 -67.6 -48.7 34.8 -2.2 4.5 95 95 A R H > S+ 0 0 22 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.816 107.3 61.8 -68.0 -29.3 32.4 0.2 2.8 96 96 A R H X S+ 0 0 75 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.897 101.8 52.7 -59.1 -39.4 30.5 0.6 6.1 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.6 -3,-0.3 -2,-0.2 0.918 106.8 51.7 -62.3 -42.6 33.8 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.891 109.0 51.7 -60.7 -39.9 33.9 4.5 4.5 99 99 A A H X S+ 0 0 16 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.915 109.9 48.0 -59.8 -46.6 30.3 5.5 5.3 100 100 A I H X S+ 0 0 8 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.921 107.7 57.2 -62.5 -42.9 31.3 6.2 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.915 108.5 45.2 -52.4 -50.3 34.3 8.2 7.8 102 102 A X H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.926 113.5 48.9 -62.6 -45.5 32.0 10.6 5.8 103 103 A V H X S+ 0 0 13 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.903 110.3 52.9 -61.4 -41.4 29.5 10.9 8.6 104 104 A F H < S+ 0 0 30 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.7 41.9 -57.1 -45.6 32.4 11.6 11.0 105 105 A Q H < S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.876 133.2 14.5 -73.9 -39.5 33.8 14.4 8.7 106 106 A X H X S- 0 0 44 -4,-2.6 4,-1.1 -5,-0.1 -3,-0.2 0.490 95.8-127.0-120.6 -7.5 30.6 16.2 7.7 107 107 A G H X - 0 0 30 -4,-2.5 4,-1.6 -5,-0.4 3,-0.3 0.063 43.9 -70.7 76.6 165.9 27.8 15.0 10.0 108 108 A E H > S+ 0 0 72 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.797 136.3 59.3 -61.4 -28.8 24.4 13.6 8.8 109 109 A T H 4 S+ 0 0 131 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.864 105.5 47.6 -67.6 -39.0 23.5 17.1 7.6 110 110 A G H >< S+ 0 0 29 -4,-1.1 3,-0.7 -3,-0.3 -2,-0.2 0.834 110.5 53.4 -66.4 -34.5 26.6 17.1 5.4 111 111 A V H >< S+ 0 0 9 -4,-1.6 3,-2.4 1,-0.2 -2,-0.2 0.743 88.3 80.4 -73.3 -24.8 25.5 13.6 4.2 112 112 A A G >< S+ 0 0 63 -4,-1.2 3,-1.0 1,-0.3 -1,-0.2 0.826 87.8 56.7 -50.7 -36.1 22.0 14.9 3.3 113 113 A G G < S+ 0 0 71 -3,-0.7 3,-0.3 -4,-0.4 -1,-0.3 0.545 93.2 70.6 -75.1 -6.8 23.4 16.3 -0.0 114 114 A F G X> + 0 0 24 -3,-2.4 4,-2.7 1,-0.2 3,-0.6 0.211 57.3 123.4 -97.4 16.5 24.7 12.9 -1.1 115 115 A T H <> S+ 0 0 71 -3,-1.0 4,-1.8 1,-0.3 -1,-0.2 0.835 75.6 48.2 -43.2 -46.6 21.3 11.3 -1.7 116 116 A N H 3> S+ 0 0 86 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.877 111.9 48.3 -68.2 -38.9 22.2 10.4 -5.3 117 117 A S H <> S+ 0 0 2 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.892 109.7 54.3 -63.4 -42.5 25.5 8.8 -4.3 118 118 A L H X S+ 0 0 33 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.874 105.5 52.5 -59.8 -41.1 23.8 6.9 -1.6 119 119 A R H X S+ 0 0 129 -4,-1.8 4,-2.0 -5,-0.2 -1,-0.2 0.934 110.7 47.0 -61.6 -47.1 21.3 5.5 -4.1 120 120 A X H <>S+ 0 0 43 -4,-1.7 5,-2.6 1,-0.2 4,-0.4 0.862 110.4 53.7 -64.2 -36.5 24.1 4.2 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-2.3 3,-1.3 2,-0.2 -2,-0.2 0.928 108.8 47.7 -62.5 -46.1 25.9 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.857 111.2 52.1 -62.8 -33.2 22.7 0.8 -2.3 123 123 A Q T 3<5S- 0 0 90 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.542 111.0-126.9 -75.5 -9.3 22.5 -0.3 -5.9 124 124 A K T < 5 + 0 0 97 -3,-1.3 2,-1.4 -4,-0.4 -3,-0.2 0.803 59.1 148.7 59.4 32.6 26.2 -1.5 -5.7 125 125 A R >< + 0 0 126 -5,-2.6 4,-3.1 1,-0.2 -1,-0.2 -0.661 21.1 174.1 -89.6 76.5 27.0 0.6 -8.8 126 126 A W H > + 0 0 51 -2,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.845 67.7 44.1 -62.9 -46.3 30.5 1.2 -7.4 127 127 A D H > S+ 0 0 112 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 117.7 46.7 -66.4 -42.4 32.2 3.0 -10.3 128 128 A E H > S+ 0 0 111 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.923 111.8 50.8 -62.7 -46.2 29.2 5.3 -10.8 129 129 A A H X S+ 0 0 0 -4,-3.1 4,-2.8 1,-0.2 -2,-0.2 0.927 109.8 51.4 -54.8 -47.1 28.9 5.9 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.907 110.4 47.6 -58.6 -47.2 32.6 6.9 -7.0 131 131 A V H < S+ 0 0 84 -4,-2.2 4,-0.5 1,-0.2 3,-0.2 0.921 114.3 47.2 -59.6 -46.0 32.1 9.3 -9.9 132 132 A N H >< S+ 0 0 34 -4,-2.7 3,-1.1 1,-0.2 -2,-0.2 0.874 106.2 57.5 -66.2 -39.3 29.1 10.9 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.848 101.8 56.7 -58.2 -35.8 30.8 11.2 -4.8 134 134 A A T 3< S+ 0 0 28 -4,-1.4 2,-1.7 -3,-0.2 -1,-0.2 0.629 85.3 82.7 -75.0 -14.7 33.6 13.3 -6.4 135 135 A K S < S+ 0 0 158 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.516 80.9 97.0 -86.2 68.1 31.0 15.8 -7.7 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.995 85.7-117.5-155.8 151.3 30.9 17.6 -4.3 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.914 115.8 62.6 -54.8 -42.7 32.3 20.4 -2.3 138 138 A W H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.921 104.9 43.7 -47.3 -55.1 33.7 17.7 -0.0 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.1 48.9 -60.2 -45.1 35.9 16.3 -2.8 140 140 A N H < S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.849 116.3 41.7 -67.0 -34.5 37.0 19.7 -3.9 141 141 A Q H < S+ 0 0 107 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.858 133.0 20.2 -83.4 -37.2 37.9 20.9 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.6 4,-2.8 -5,-0.3 -1,-0.2 -0.526 74.0 158.7-128.4 66.8 39.6 17.7 0.8 143 143 A P H > S+ 0 0 46 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.871 70.9 52.6 -62.5 -41.0 40.5 15.9 -2.4 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.937 116.2 39.3 -62.6 -45.6 43.2 13.6 -0.9 145 145 A R H > S+ 0 0 19 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.920 115.8 52.3 -67.3 -44.1 40.9 12.3 1.9 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.910 106.6 53.7 -59.3 -43.1 37.9 12.1 -0.4 147 147 A K H X S+ 0 0 100 -4,-3.1 4,-2.5 1,-0.2 -1,-0.2 0.892 109.6 48.6 -58.4 -40.4 39.9 10.1 -3.0 148 148 A R H X S+ 0 0 65 -4,-1.5 4,-1.8 2,-0.2 12,-0.2 0.932 114.8 43.3 -64.5 -47.0 40.8 7.6 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.918 115.0 50.1 -66.5 -42.8 37.2 7.3 1.0 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.6 2,-0.2 -2,-0.2 0.915 108.6 51.7 -63.1 -43.5 35.9 7.1 -2.6 151 151 A T H X S+ 0 0 38 -4,-2.5 4,-2.6 -5,-0.2 6,-0.4 0.884 108.2 53.1 -59.4 -39.3 38.4 4.4 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 5,-0.3 0.915 112.3 44.1 -61.6 -45.1 37.2 2.4 -0.4 153 153 A F H < S+ 0 0 5 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.843 115.2 49.4 -64.9 -36.6 33.6 2.7 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.914 126.9 21.5 -69.9 -40.2 34.7 1.8 -5.2 155 155 A T H < S- 0 0 41 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.688 85.3-133.7-104.7 -26.4 36.7 -1.3 -4.3 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.775 74.4 107.2 66.9 25.6 35.5 -2.5 -0.9 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.3 -1,-0.3 -0.827 79.8-123.3-126.4 168.4 39.2 -2.8 -0.0 158 158 A W S >> S+ 0 0 51 -2,-0.3 3,-2.4 1,-0.2 4,-1.9 0.138 71.0 122.3 -94.6 18.0 41.6 -0.9 2.2 159 159 A D T 34 + 0 0 117 1,-0.3 -1,-0.2 2,-0.2 -7,-0.0 0.811 68.0 57.4 -53.2 -36.4 44.0 -0.3 -0.7 160 160 A A T 34 S+ 0 0 34 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.633 119.4 30.9 -70.4 -13.0 43.9 3.5 -0.3 161 161 A Y T <4 0 0 21 -3,-2.4 -2,-0.2 -13,-0.1 -1,-0.2 0.535 360.0 360.0-119.7 -18.1 45.1 3.2 3.3 162 162 A K < 0 0 205 -4,-1.9 -3,-0.1 -161,-0.0 -2,-0.0 0.682 360.0 360.0 -89.3 360.0 47.3 0.1 3.2