==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAR-01 1I6S . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.A.KOVALL,E.P.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 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 1 0 1 2 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.8 43.4 -1.9 9.1 2 2 A N > - 0 0 70 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.900 360.0 -83.6-152.5 175.0 40.2 -0.7 10.7 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.818 123.6 53.1 -55.3 -39.6 38.1 2.4 11.2 4 4 A F H > S+ 0 0 72 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.947 113.0 41.4 -65.8 -47.4 40.3 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 0.867 113.1 56.0 -66.5 -37.6 43.5 3.4 12.2 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.960 112.3 39.2 -60.5 -49.9 41.9 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 5,-0.4 0.869 109.4 61.0 -71.9 -29.2 40.7 7.9 10.8 8 8 A R H X S+ 0 0 95 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.895 107.8 46.9 -63.5 -32.2 43.9 8.2 12.8 9 9 A I H < S+ 0 0 87 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.925 116.0 43.7 -72.1 -43.5 45.6 8.5 9.4 10 10 A D H < S+ 0 0 18 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.819 124.2 31.0 -72.3 -31.5 43.2 11.0 8.0 11 11 A E H < S- 0 0 43 -4,-2.8 19,-0.3 -5,-0.2 -3,-0.2 0.752 90.3-151.0 -99.2 -28.4 42.9 13.2 11.0 12 12 A G < - 0 0 23 -4,-1.6 2,-0.4 -5,-0.4 -1,-0.1 -0.285 24.9 -86.1 80.6-174.6 46.2 13.1 12.8 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -2,-0.1 16,-0.2 -0.972 42.8 174.4-136.2 120.3 46.7 13.5 16.5 14 14 A R E -A 28 0A 130 14,-1.9 14,-2.6 -2,-0.4 4,-0.1 -0.997 17.3-167.4-132.4 130.6 47.2 17.0 18.2 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.464 73.6 63.1 -93.9 -7.1 47.3 17.5 21.9 16 16 A K E S-C 57 0B 94 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.888 100.9 -88.8-119.4 145.1 46.9 21.2 21.8 17 17 A I E + 0 0 14 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.221 57.4 171.8 -49.6 144.8 43.9 23.1 20.5 18 18 A Y E -A 26 0A 25 8,-3.0 8,-3.1 -4,-0.1 2,-0.5 -0.955 34.8-104.3-152.2 167.6 44.2 23.8 16.7 19 19 A K E -A 25 0A 116 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.841 34.1-139.1-100.6 134.3 42.3 25.1 13.8 20 20 A D > - 0 0 48 4,-3.1 3,-2.3 -2,-0.5 -1,-0.1 -0.091 41.1 -79.9 -79.2-174.3 41.0 22.6 11.3 21 21 A T T 3 S+ 0 0 101 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.714 136.4 48.2 -59.6 -20.5 40.9 22.9 7.5 22 22 A E T 3 S- 0 0 93 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.385 124.6-105.4 -96.1 -1.5 37.8 25.1 7.9 23 23 A G S < S+ 0 0 32 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.666 73.1 144.9 83.3 22.6 39.5 27.2 10.6 24 24 A Y - 0 0 75 1,-0.1 -4,-3.1 9,-0.0 2,-0.3 -0.751 58.6-102.6 -97.2 146.5 37.5 25.6 13.4 25 25 A Y E +AB 19 34A 34 9,-1.0 8,-3.1 11,-0.4 9,-1.4 -0.478 55.6 157.9 -67.1 122.4 38.8 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.0 -2,-0.3 2,-0.3 -0.866 18.7-171.5-139.2 167.8 39.6 21.2 17.1 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.0 -2,-0.3 2,-0.2 -0.977 51.0 6.9-156.8 165.8 41.8 19.0 19.2 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.9 -2,-0.3 2,-0.8 -0.401 122.6 -8.0 65.5-128.2 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.647 127.4 -51.1-106.0 72.7 42.0 13.2 16.6 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.789 84.5 158.3 71.1 27.1 39.6 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.6 32,-0.0 2,-0.3 -0.733 33.6-143.9 -89.3 103.8 37.4 16.3 17.6 32 32 A L E -B 26 0A 74 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.469 19.5-178.4 -67.0 129.1 35.7 19.6 16.7 33 33 A L E - 0 0 15 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.900 58.2 -24.8 -93.2 -47.8 35.3 21.8 19.7 34 34 A T E -B 25 0A 28 -9,-1.4 -9,-1.0 2,-0.1 -1,-0.4 -0.966 33.2-139.5-164.8 153.1 33.4 24.8 18.3 35 35 A K S S+ 0 0 141 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.441 75.3 109.1 -93.6 -4.1 32.7 26.7 15.2 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.456 73.5-132.3 -74.5 146.2 33.0 30.0 17.2 37 37 A P S S+ 0 0 116 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.481 76.2 107.4 -79.0 -2.0 36.0 32.2 16.5 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 -2,-0.1 -0.698 56.3-162.1 -87.5 123.7 36.5 32.4 20.2 39 39 A L H > S+ 0 0 65 -2,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.764 97.3 53.8 -68.6 -26.6 39.5 30.6 21.6 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.935 103.9 53.4 -73.4 -43.7 37.8 31.0 25.0 41 41 A A H > S+ 0 0 31 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 113.0 45.7 -54.1 -42.8 34.6 29.5 23.7 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 -2,-0.2 0.922 110.0 52.3 -69.6 -41.7 36.8 26.5 22.5 43 43 A K H X S+ 0 0 52 -4,-2.4 4,-2.4 2,-0.2 11,-0.3 0.880 111.3 48.6 -61.7 -34.9 38.7 26.3 25.8 44 44 A S H X S+ 0 0 72 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.939 111.3 47.9 -68.5 -49.8 35.4 26.1 27.6 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.905 111.9 53.7 -58.1 -41.6 34.0 23.5 25.3 46 46 A L H X S+ 0 0 0 -4,-3.2 4,-2.1 1,-0.2 5,-0.3 0.953 108.3 46.5 -61.5 -47.7 37.2 21.7 25.8 47 47 A D H X>S+ 0 0 33 -4,-2.4 4,-1.9 1,-0.2 5,-1.2 0.854 112.2 51.0 -62.6 -36.3 37.1 21.7 29.6 48 48 A K H <5S+ 0 0 141 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.847 110.2 49.8 -70.1 -33.7 33.5 20.6 29.6 49 49 A A H <5S+ 0 0 43 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.878 120.7 34.3 -72.5 -36.3 34.3 17.7 27.3 50 50 A I H <5S- 0 0 37 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.695 103.9-126.5 -89.6 -26.2 37.3 16.5 29.3 51 51 A G T <5S+ 0 0 65 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.783 76.0 72.0 82.0 31.2 35.9 17.3 32.8 52 52 A R S - 0 0 9 -2,-1.0 3,-0.8 -11,-0.3 -1,-0.2 0.790 32.2-144.1 -88.3 -33.4 42.8 21.8 30.6 55 55 A N T 3 S- 0 0 113 1,-0.2 3,-0.1 -12,-0.2 -2,-0.1 0.852 73.8 -54.2 70.0 33.0 44.1 25.1 29.6 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.478 118.8 97.5 80.8 1.3 43.9 24.0 25.9 57 57 A V B < +C 16 0B 64 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.944 44.5 177.1-127.9 146.7 46.0 20.9 26.3 58 58 A I - 0 0 3 -43,-2.3 2,-0.1 -2,-0.4 -30,-0.1 -0.909 28.1-107.4-138.6 167.3 45.1 17.2 26.8 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.428 34.0-106.6 -89.2 166.3 46.9 14.0 27.1 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.903 121.7 52.4 -56.6 -41.9 47.1 11.2 24.6 61 61 A D H > S+ 0 0 122 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.876 108.3 48.6 -62.4 -41.7 44.7 9.1 26.7 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.894 110.4 52.6 -66.2 -41.7 42.1 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -34,-0.4 0.867 110.1 49.1 -58.7 -41.0 42.5 12.4 23.0 64 64 A E H X S+ 0 0 74 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.844 107.1 54.3 -70.8 -34.2 41.8 8.7 22.6 65 65 A K H X S+ 0 0 141 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.933 109.2 47.0 -64.4 -46.3 38.8 8.8 24.8 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.903 110.9 54.7 -59.3 -41.0 37.2 11.5 22.8 67 67 A F H X S+ 0 0 12 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.934 107.6 47.5 -60.7 -47.3 38.1 9.5 19.6 68 68 A N H X S+ 0 0 89 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 0.930 113.1 49.4 -59.5 -45.1 36.3 6.4 20.9 69 69 A Q H X S+ 0 0 92 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.917 112.0 48.7 -58.1 -45.1 33.3 8.4 21.8 70 70 A D H X S+ 0 0 34 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.857 111.4 47.9 -65.9 -39.2 33.3 10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.948 112.1 50.6 -67.8 -43.8 33.6 6.9 16.5 72 72 A D H X S+ 0 0 90 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.938 109.0 51.2 -59.2 -43.7 30.8 5.4 18.6 73 73 A A H X S+ 0 0 46 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 0.875 106.9 53.4 -61.3 -37.9 28.6 8.3 18.0 74 74 A A H X S+ 0 0 8 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.921 110.5 47.2 -64.7 -42.9 29.1 8.1 14.2 75 75 A V H X S+ 0 0 34 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.941 114.2 46.7 -62.0 -49.6 28.1 4.5 14.1 76 76 A R H X S+ 0 0 110 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.912 109.9 54.6 -61.5 -38.7 25.1 5.1 16.2 77 77 A G H X S+ 0 0 2 -4,-2.8 4,-0.5 -5,-0.3 -1,-0.2 0.947 110.0 46.3 -56.9 -48.1 24.2 8.1 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.2 3,-1.3 1,-0.2 7,-0.5 0.941 110.9 52.3 -59.0 -49.9 24.2 6.0 10.9 79 79 A L H 3< S+ 0 0 67 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.835 113.4 44.2 -61.5 -30.8 22.2 3.2 12.6 80 80 A R H 3< S+ 0 0 172 -4,-2.1 2,-0.6 -5,-0.2 -1,-0.3 0.430 93.0 98.8 -92.2 -2.9 19.5 5.7 13.6 81 81 A N > S+ 0 0 0 -7,-0.2 4,-2.5 1,-0.1 3,-0.6 0.890 99.3 67.8 -83.7 -42.1 21.9 6.0 6.1 85 85 A K H 3X S+ 0 0 87 -4,-3.1 4,-2.7 -7,-0.5 5,-0.2 0.871 99.0 49.5 -47.0 -48.5 21.0 2.8 7.8 86 86 A P H 3> S+ 0 0 57 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.848 111.2 49.8 -66.3 -32.2 19.9 0.9 4.7 87 87 A V H <> S+ 0 0 1 -3,-0.6 4,-0.8 -4,-0.5 3,-0.5 0.968 111.7 48.5 -70.2 -48.9 23.0 1.8 2.8 88 88 A Y H >< S+ 0 0 35 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.905 109.1 52.9 -54.0 -46.0 25.2 0.7 5.7 89 89 A D H 3< S+ 0 0 73 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.847 106.6 53.9 -64.0 -30.3 23.4 -2.6 6.0 90 90 A S H 3< S+ 0 0 39 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.618 95.9 86.6 -79.7 -14.1 23.9 -3.3 2.4 91 91 A L S << S- 0 0 6 -3,-1.0 31,-0.0 -4,-0.8 2,-0.0 -0.584 75.5-114.4 -92.1 162.5 27.6 -2.9 2.3 92 92 A D > - 0 0 55 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.173 44.1 -92.8 -76.6 170.6 30.5 -5.1 3.1 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.827 121.6 49.4 -60.8 -37.1 32.9 -4.5 6.1 94 94 A V H > S+ 0 0 29 62,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.944 113.7 45.6 -69.1 -46.5 35.5 -2.4 4.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.849 105.5 60.4 -67.3 -30.6 32.9 -0.1 2.7 96 96 A R H X S+ 0 0 81 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.921 103.7 52.9 -61.0 -39.7 31.0 0.3 6.0 97 97 A A H X S+ 0 0 8 -4,-1.3 4,-2.6 1,-0.2 -1,-0.2 0.907 105.9 53.1 -61.9 -41.4 34.2 1.7 7.4 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.870 108.9 49.1 -63.6 -34.5 34.3 4.2 4.5 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.919 109.6 51.6 -72.4 -36.9 30.8 5.4 5.3 100 100 A I H X S+ 0 0 10 -4,-2.2 4,-3.2 1,-0.2 5,-0.2 0.947 108.2 52.7 -62.7 -44.1 31.6 5.8 8.9 101 101 A A H X S+ 0 0 1 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.857 108.5 49.9 -59.1 -39.0 34.7 7.9 8.0 102 102 A M H X S+ 0 0 3 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.925 112.6 46.5 -66.0 -43.6 32.5 10.2 5.9 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.924 111.0 53.1 -65.0 -39.3 30.0 10.6 8.7 104 104 A F H < S+ 0 0 29 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.928 114.3 42.4 -59.5 -45.5 32.8 11.2 11.2 105 105 A Q H < S+ 0 0 54 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.932 132.6 14.5 -67.8 -48.0 34.2 13.9 9.0 106 106 A M H X S- 0 0 55 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.441 103.8-105.3-117.2 1.8 31.1 15.7 7.9 107 107 A G H X - 0 0 31 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.168 32.5 -84.8 88.0 149.3 28.2 14.7 10.1 108 108 A E H > S+ 0 0 56 1,-0.3 4,-2.4 2,-0.2 -1,-0.1 0.842 127.2 51.6 -57.3 -41.3 25.2 12.6 9.6 109 109 A T H > S+ 0 0 119 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.889 107.5 51.1 -67.4 -42.7 23.3 15.4 8.1 110 110 A G H >< S+ 0 0 30 -4,-0.6 3,-0.9 1,-0.2 -2,-0.2 0.952 114.7 43.0 -61.1 -49.0 26.0 16.1 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.5 1,-0.2 -2,-0.2 0.905 103.4 64.2 -63.5 -44.1 26.3 12.6 4.4 112 112 A A H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.771 97.2 61.6 -52.8 -24.6 22.6 12.0 4.3 113 113 A G T << S+ 0 0 55 -3,-0.9 2,-1.4 -4,-0.8 3,-0.3 0.473 74.2 88.9 -83.2 -3.1 22.4 14.6 1.5 114 114 A F <> + 0 0 44 -3,-2.5 4,-2.7 1,-0.2 5,-0.3 -0.249 56.1 158.4 -86.0 50.7 24.6 12.7 -0.9 115 115 A T H > + 0 0 86 -2,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.847 64.1 46.7 -41.7 -50.8 21.4 11.2 -2.1 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.902 114.1 46.5 -65.5 -41.5 22.6 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.8 1,-0.2 -2,-0.2 0.879 110.0 54.6 -66.1 -42.0 25.8 8.6 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.898 108.3 49.0 -58.1 -43.3 24.0 6.8 -1.5 119 119 A R H X S+ 0 0 122 -4,-1.9 4,-2.0 -5,-0.3 -1,-0.2 0.909 111.9 48.4 -65.9 -37.8 21.7 5.3 -4.1 120 120 A M H <>S+ 0 0 24 -4,-1.9 5,-2.4 2,-0.2 -2,-0.2 0.902 110.4 52.2 -67.1 -40.2 24.6 4.2 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.2 -2,-0.2 0.932 109.0 49.2 -61.2 -46.6 26.3 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 97 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.908 110.3 51.4 -60.4 -36.3 23.3 0.8 -2.4 123 123 A Q T 3<5S- 0 0 83 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.404 111.8-122.5 -80.4 2.8 23.0 -0.4 -6.0 124 124 A K T < 5 + 0 0 102 -3,-1.9 2,-1.4 1,-0.2 -3,-0.2 0.732 61.0 148.5 60.5 30.9 26.7 -1.5 -5.8 125 125 A R >< + 0 0 103 -5,-2.4 4,-2.6 1,-0.2 5,-0.2 -0.675 20.6 175.1 -94.7 75.5 27.5 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.850 67.8 43.2 -54.1 -53.9 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.936 116.1 49.7 -65.3 -41.5 32.7 3.4 -10.4 128 128 A E H > S+ 0 0 100 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.924 109.8 48.7 -63.9 -46.2 29.7 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.6 4,-3.0 1,-0.2 -1,-0.2 0.897 109.5 56.1 -58.5 -37.7 29.3 6.3 -7.1 130 130 A A H X S+ 0 0 9 -4,-2.0 4,-1.1 -5,-0.2 -1,-0.2 0.898 109.0 44.8 -61.0 -42.4 33.0 7.1 -7.1 131 131 A V H X S+ 0 0 87 -4,-2.0 4,-0.6 1,-0.2 3,-0.2 0.894 114.4 49.5 -68.0 -42.6 32.6 9.7 -9.9 132 132 A N H >< S+ 0 0 42 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.905 106.2 55.2 -65.2 -39.7 29.5 11.1 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.2 -1,-0.2 0.852 100.3 61.4 -62.5 -33.0 31.2 11.4 -4.8 134 134 A A H 3< S+ 0 0 28 -4,-1.1 2,-1.9 -3,-0.2 -1,-0.2 0.667 85.1 79.2 -68.0 -18.7 34.0 13.5 -6.4 135 135 A K S << S+ 0 0 157 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.473 80.1 97.9 -88.8 67.6 31.6 16.3 -7.5 136 136 A S S > S- 0 0 15 -2,-1.9 4,-1.8 1,-0.1 5,-0.2 -0.993 84.8-117.2-151.9 158.2 31.4 17.8 -4.1 137 137 A R H > S+ 0 0 148 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.867 114.4 63.5 -60.0 -37.8 32.7 20.5 -2.0 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.947 106.2 41.5 -52.4 -51.8 34.1 17.8 0.2 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.903 114.5 51.0 -65.6 -43.5 36.3 16.5 -2.5 140 140 A N H < S+ 0 0 107 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 114.6 43.7 -65.0 -34.6 37.4 19.9 -3.7 141 141 A Q H < S+ 0 0 95 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.881 131.3 17.7 -80.0 -38.9 38.3 21.1 -0.2 142 142 A T S X S+ 0 0 24 -4,-2.2 4,-2.2 -5,-0.3 -1,-0.2 -0.627 74.8 163.0-133.7 73.4 40.2 18.0 1.1 143 143 A P H > + 0 0 47 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.836 67.8 52.5 -63.9 -41.9 41.0 16.1 -2.0 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.940 115.7 40.4 -64.2 -44.7 43.7 13.8 -0.8 145 145 A R H > S+ 0 0 26 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.910 115.2 52.0 -66.3 -46.7 41.7 12.5 2.1 146 146 A A H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.943 106.7 53.6 -59.4 -44.1 38.5 12.4 -0.0 147 147 A K H X S+ 0 0 92 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.872 106.4 53.8 -56.9 -39.3 40.3 10.3 -2.7 148 148 A R H X S+ 0 0 69 -4,-1.4 4,-1.4 2,-0.2 -1,-0.2 0.928 111.9 43.0 -63.1 -44.2 41.4 7.9 -0.0 149 149 A V H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.908 114.3 51.5 -65.9 -42.6 37.8 7.3 1.1 150 150 A I H X S+ 0 0 13 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.879 107.7 51.0 -61.4 -42.0 36.5 7.2 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.4 4,-2.6 -5,-0.2 6,-0.4 0.842 107.0 56.7 -64.3 -34.9 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.923 110.2 42.6 -63.7 -45.5 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.892 115.6 51.0 -65.8 -39.2 34.3 2.6 -1.8 154 154 A R H < S+ 0 0 92 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.920 124.5 23.4 -65.8 -44.2 35.4 1.9 -5.3 155 155 A T H < S- 0 0 45 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.669 87.2-135.0 -98.6 -24.8 37.6 -1.0 -4.6 156 156 A G S < S+ 0 0 15 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.694 73.6 99.5 73.9 18.3 36.3 -2.4 -1.4 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.800 80.0-120.2-126.9 171.6 40.0 -2.8 -0.1 158 158 A W S > S+ 0 0 39 -2,-0.2 3,-2.8 1,-0.2 4,-0.3 0.160 71.4 122.8 -95.5 16.4 42.3 -0.7 2.1 159 159 A D G > + 0 0 96 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.826 65.9 59.6 -50.4 -34.4 44.8 -0.2 -0.6 160 160 A A G 3 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.676 105.6 49.2 -69.2 -17.7 44.6 3.5 -0.3 161 161 A Y G < 0 0 17 -3,-2.8 -1,-0.3 -13,-0.1 -2,-0.2 0.356 360.0 360.0-104.0 9.6 45.7 3.4 3.2 162 162 A K < 0 0 168 -3,-1.6 -2,-0.2 -4,-0.3 -3,-0.1 0.787 360.0 360.0-114.8 360.0 48.6 1.1 2.7