==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-DEC-99 1C6G . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.L.QUILLIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8880.0 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 . 10 6.2 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 85 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 159.3 43.4 -1.9 9.2 2 2 A N > - 0 0 66 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.917 360.0 -75.9-158.3-180.0 40.2 -0.8 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.842 125.2 50.8 -53.8 -42.5 38.1 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.944 113.7 42.7 -62.1 -52.2 40.2 3.6 14.2 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.888 114.3 54.1 -63.3 -37.6 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.3 1,-0.2 3,-0.3 0.959 112.2 40.2 -60.9 -54.9 41.9 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.3 0.856 109.3 60.0 -65.9 -30.9 40.6 7.8 10.9 8 8 A R H X S+ 0 0 103 -4,-2.3 4,-1.5 -5,-0.2 -1,-0.2 0.863 108.2 47.6 -65.2 -28.0 43.8 8.2 12.9 9 9 A I H < S+ 0 0 86 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.945 116.1 42.3 -74.4 -48.4 45.6 8.5 9.6 10 10 A D H < S+ 0 0 21 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.839 124.5 32.9 -67.5 -36.0 43.2 11.0 8.1 11 11 A E H < S- 0 0 43 -4,-2.7 19,-0.3 1,-0.2 -1,-0.2 0.713 91.8-151.9 -94.9 -29.3 42.7 13.3 11.2 12 12 A G < - 0 0 25 -4,-1.5 2,-0.3 -5,-0.3 -1,-0.2 -0.288 23.9 -89.9 80.5-167.8 46.2 13.1 12.9 13 13 A L + 0 0 35 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.923 42.6 172.6-148.3 116.5 46.7 13.6 16.6 14 14 A R E -A 28 0A 146 14,-1.6 14,-2.9 -2,-0.3 4,-0.1 -0.998 19.9-160.6-131.9 127.7 47.3 17.0 18.2 15 15 A L E S+ 0 0 61 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.401 75.3 59.1 -89.2 -0.4 47.3 17.6 22.0 16 16 A K E S-C 57 0B 134 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.901 102.3 -83.8-126.0 149.0 46.7 21.4 21.9 17 17 A I E + 0 0 31 39,-1.3 2,-0.3 -2,-0.3 10,-0.2 -0.299 58.0 172.2 -52.0 138.9 43.7 23.2 20.4 18 18 A Y E -A 26 0A 26 8,-3.7 8,-3.1 -4,-0.1 2,-0.4 -0.858 34.9-105.3-143.3 169.7 44.2 23.7 16.7 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 2,-0.0 -0.880 34.6-140.2-100.9 136.1 42.2 25.0 13.8 20 20 A D > - 0 0 46 4,-3.0 3,-1.6 -2,-0.4 -1,-0.1 -0.036 42.0 -75.9 -82.4-168.7 41.0 22.4 11.4 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.707 134.9 48.9 -63.0 -22.9 40.8 22.6 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.455 123.7-102.2 -93.8 -2.0 37.8 24.9 7.9 23 23 A G S < S+ 0 0 39 -3,-1.6 2,-0.3 1,-0.3 -2,-0.1 0.538 75.6 143.8 92.1 16.3 39.4 27.2 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.747 58.7-103.4 -96.0 141.9 37.4 25.6 13.4 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-3.0 11,-0.4 9,-1.2 -0.383 55.2 158.4 -60.8 121.4 38.8 25.0 16.9 26 26 A T E -AB 18 32A 4 -8,-3.1 -8,-3.7 6,-0.3 2,-0.3 -0.903 20.6-168.9-140.7 163.9 39.6 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.8 -2,-0.3 2,-0.2 -0.982 52.3 1.4-151.1 162.3 41.8 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.9 -14,-1.6 -2,-0.3 2,-1.0 -0.471 122.2 -2.9 69.2-132.5 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.668 128.2 -55.0 -98.1 68.6 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-1.0 2,-1.0 -19,-0.3 -2,-0.2 0.799 83.2 163.0 66.9 30.8 39.7 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-1.8 -4,-1.6 1,-0.0 -1,-0.2 -0.695 31.8-142.7 -87.4 101.8 37.4 16.3 17.8 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.381 18.4-174.6 -63.7 126.5 35.6 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.892 58.2 -31.5 -92.6 -47.8 35.2 21.8 19.7 34 34 A T E -B 25 0A 30 -9,-1.2 -9,-0.6 2,-0.1 -1,-0.4 -0.952 38.3-130.7-168.2 154.4 33.1 24.7 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.467 75.4 112.0 -91.9 -1.9 32.4 26.6 15.2 36 36 A S S S- 0 0 37 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.359 72.3-132.8 -76.2 149.7 32.8 29.8 17.0 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.610 75.7 105.2 -75.6 -8.6 35.6 32.1 16.4 38 38 A S > - 0 0 41 1,-0.2 4,-2.0 2,-0.0 5,-0.1 -0.619 55.0-161.5 -81.7 122.2 36.3 32.5 20.1 39 39 A L H > S+ 0 0 70 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.851 96.5 54.9 -70.5 -29.0 39.2 30.7 21.7 40 40 A N H > S+ 0 0 123 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.896 105.0 53.7 -66.0 -40.7 37.7 31.1 25.1 41 41 A A H > S+ 0 0 30 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.928 109.2 47.9 -56.5 -48.2 34.6 29.4 23.7 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.879 110.7 50.9 -59.4 -44.7 36.8 26.5 22.5 43 43 A K H X S+ 0 0 74 -4,-2.4 4,-2.6 2,-0.2 11,-0.2 0.917 109.6 51.4 -62.9 -40.4 38.6 26.3 25.9 44 44 A S H X S+ 0 0 73 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.946 111.4 45.6 -63.4 -50.4 35.3 26.2 27.7 45 45 A E H X S+ 0 0 65 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.905 111.2 55.6 -62.6 -37.7 33.9 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.3 0.938 108.1 45.8 -61.3 -44.6 37.2 21.5 25.9 47 47 A D H X>S+ 0 0 31 -4,-2.6 4,-2.8 1,-0.2 5,-1.2 0.916 111.8 51.9 -60.9 -39.5 37.0 21.6 29.7 48 48 A K H <5S+ 0 0 149 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.891 110.6 49.2 -60.1 -47.7 33.4 20.5 29.6 49 49 A A H <5S+ 0 0 43 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.861 120.8 34.7 -61.2 -42.7 34.3 17.5 27.2 50 50 A I H <5S- 0 0 37 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.746 101.8-126.3 -88.2 -30.6 37.2 16.3 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.8 2,-0.3 1,-0.3 -3,-0.2 0.780 76.6 68.4 87.1 28.7 35.8 17.2 33.0 52 52 A R S - 0 0 7 -2,-1.0 3,-1.5 -11,-0.2 -1,-0.2 0.705 31.9-142.0 -92.7 -21.8 42.6 21.8 30.8 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.882 72.9 -60.5 62.7 32.6 44.0 25.1 29.9 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.3 1,-0.1 2,-0.4 0.520 116.6 102.6 71.3 7.4 43.7 23.9 26.1 57 57 A V B < +C 16 0B 55 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.976 45.4 179.4-125.9 140.9 46.1 21.0 26.5 58 58 A I - 0 0 6 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.864 25.1-111.4-132.9 164.8 45.2 17.2 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.496 32.4-107.9 -92.6 167.1 46.9 14.0 27.2 60 60 A K H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 119.9 52.4 -58.4 -45.1 47.1 11.2 24.8 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 109.4 49.9 -60.2 -42.4 44.8 9.0 26.7 62 62 A E H > S+ 0 0 36 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.903 109.1 51.5 -64.9 -40.5 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -34,-0.4 0.940 110.3 50.6 -59.7 -42.3 42.5 12.4 23.1 64 64 A E H X S+ 0 0 85 -4,-2.6 4,-3.0 1,-0.2 -2,-0.2 0.852 108.2 52.3 -63.1 -34.7 41.8 8.6 22.6 65 65 A K H X S+ 0 0 145 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.946 109.0 47.5 -69.4 -42.9 38.8 8.7 24.9 66 66 A L H X S+ 0 0 6 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.919 112.5 53.6 -59.2 -40.9 37.2 11.5 22.9 67 67 A F H X S+ 0 0 14 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.933 107.0 49.2 -60.8 -50.5 38.1 9.5 19.8 68 68 A N H X S+ 0 0 87 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.946 112.6 47.8 -57.2 -44.7 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 95 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.907 111.6 51.2 -60.9 -40.1 33.3 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.867 110.6 46.7 -66.8 -38.0 33.3 10.1 18.5 71 71 A V H X S+ 0 0 9 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.959 113.1 50.4 -66.0 -48.5 33.5 6.9 16.5 72 72 A D H X S+ 0 0 96 -4,-2.4 4,-2.6 -5,-0.3 5,-0.3 0.919 111.7 47.7 -53.2 -47.8 30.8 5.4 18.6 73 73 A A H X S+ 0 0 61 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.3 0.845 107.4 55.6 -68.9 -32.1 28.6 8.4 18.1 74 74 A A H X S+ 0 0 9 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.940 110.4 45.6 -65.7 -43.9 29.2 8.4 14.4 75 75 A V H X S+ 0 0 34 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.960 112.2 49.6 -60.2 -51.9 28.0 4.7 14.1 76 76 A R H X S+ 0 0 124 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.938 108.4 55.3 -57.4 -39.5 25.0 5.3 16.2 77 77 A G H X S+ 0 0 12 -4,-1.9 4,-0.6 -5,-0.3 -1,-0.2 0.914 108.6 47.1 -60.3 -43.4 24.1 8.4 14.1 78 78 A I H >< S+ 0 0 2 -4,-1.9 3,-1.7 2,-0.2 7,-0.6 0.973 112.1 49.7 -62.1 -50.9 24.2 6.3 10.9 79 79 A L H 3< S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.822 113.1 49.0 -61.4 -26.0 22.0 3.5 12.5 80 80 A R H 3< S+ 0 0 186 -4,-2.2 2,-0.7 -5,-0.3 -1,-0.3 0.546 92.7 89.4 -87.0 -11.6 19.6 6.2 13.6 81 81 A N S+ 0 0 10 -3,-0.2 4,-2.5 -6,-0.2 3,-0.5 0.894 100.3 67.6 -85.1 -44.7 21.8 6.2 6.1 85 85 A K H X S+ 0 0 85 -4,-2.9 4,-2.9 -7,-0.6 5,-0.2 0.887 97.2 51.9 -47.8 -50.9 21.0 3.0 7.7 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.873 113.2 46.5 -59.9 -33.5 19.8 1.1 4.6 87 87 A V H > S+ 0 0 8 -4,-0.5 4,-0.8 -3,-0.5 -2,-0.2 0.950 112.8 47.1 -72.3 -47.5 22.8 2.0 2.8 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-0.8 1,-0.2 -1,-0.2 0.894 109.6 53.6 -60.5 -42.7 25.2 1.1 5.5 89 89 A D H 3< S+ 0 0 69 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.866 105.4 56.3 -64.7 -28.8 23.5 -2.2 6.2 90 90 A S H 3< S+ 0 0 42 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.635 95.0 89.0 -76.8 -14.3 23.8 -3.1 2.5 91 91 A L S << S- 0 0 6 -4,-0.8 2,-0.1 -3,-0.8 31,-0.0 -0.483 76.9-115.8 -85.8 156.4 27.7 -2.6 2.5 92 92 A D > - 0 0 54 -2,-0.1 4,-2.4 1,-0.1 -1,-0.1 -0.296 44.1 -93.4 -76.6 167.9 30.5 -5.0 3.3 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.845 122.5 50.1 -57.7 -41.7 32.8 -4.3 6.3 94 94 A V H > S+ 0 0 29 1,-0.2 4,-1.7 62,-0.2 3,-0.3 0.942 112.2 46.7 -63.3 -46.6 35.4 -2.3 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.881 105.1 60.3 -67.6 -33.8 32.9 -0.0 2.8 96 96 A R H X S+ 0 0 80 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.895 101.1 55.5 -58.8 -38.4 31.1 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.7 -3,-0.3 -1,-0.2 0.899 106.5 51.6 -59.0 -40.6 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.891 108.7 49.8 -65.7 -37.6 34.4 4.5 4.6 99 99 A A H X S+ 0 0 17 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.913 109.8 50.6 -68.4 -38.4 30.9 5.5 5.3 100 100 A I H X S+ 0 0 10 -4,-2.4 4,-3.6 2,-0.2 5,-0.3 0.951 107.1 55.5 -62.5 -43.6 31.8 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.952 108.1 48.1 -52.2 -51.2 34.8 8.2 7.9 102 102 A M H X S+ 0 0 6 -4,-2.1 4,-3.0 1,-0.2 5,-0.3 0.918 112.3 48.9 -57.6 -43.8 32.5 10.5 5.9 103 103 A V H X S+ 0 0 12 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.924 109.9 51.1 -63.8 -43.4 30.1 10.8 8.8 104 104 A F H < S+ 0 0 32 -4,-3.6 -1,-0.2 1,-0.2 -2,-0.2 0.937 115.7 42.7 -61.4 -40.6 32.8 11.6 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.906 132.5 13.0 -69.6 -49.9 34.2 14.3 9.0 106 106 A M H X S- 0 0 55 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.441 104.5-107.4-116.5 3.2 31.0 16.1 7.8 107 107 A G H X - 0 0 30 -4,-2.2 4,-3.1 -5,-0.3 5,-0.2 0.188 31.5 -86.0 81.7 155.8 28.2 14.9 10.0 108 108 A E H > S+ 0 0 69 1,-0.2 4,-3.6 2,-0.2 5,-0.2 0.905 128.5 52.8 -64.2 -39.7 25.3 12.6 9.3 109 109 A T H > S+ 0 0 118 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.945 108.4 50.8 -60.6 -50.5 23.3 15.4 7.9 110 110 A G H >< S+ 0 0 29 -4,-0.6 3,-0.9 1,-0.2 -2,-0.2 0.934 116.0 41.7 -55.5 -50.0 26.1 16.3 5.6 111 111 A V H >< S+ 0 0 6 -4,-3.1 3,-2.3 1,-0.3 -1,-0.2 0.889 102.6 64.6 -67.8 -38.6 26.3 12.8 4.4 112 112 A A H 3< S+ 0 0 18 -4,-3.6 -1,-0.3 1,-0.3 -2,-0.2 0.816 92.8 68.7 -56.9 -22.1 22.8 12.2 4.2 113 113 A G T << S+ 0 0 57 -4,-1.1 2,-0.6 -3,-0.9 3,-0.3 0.423 73.1 88.1 -76.1 4.7 22.8 14.9 1.4 114 114 A F <> + 0 0 36 -3,-2.3 4,-3.1 1,-0.2 5,-0.3 -0.263 53.7 157.7 -98.5 53.4 24.7 12.8 -1.1 115 115 A T H > + 0 0 85 -2,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.838 67.8 42.7 -42.0 -56.9 21.4 11.3 -2.3 116 116 A N H > S+ 0 0 87 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.874 114.8 50.2 -60.5 -43.3 22.6 10.2 -5.7 117 117 A S H > S+ 0 0 2 -3,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.908 108.7 54.8 -63.5 -43.1 25.9 8.7 -4.4 118 118 A L H X S+ 0 0 20 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.878 107.0 47.6 -56.8 -46.4 23.9 6.9 -1.7 119 119 A R H X S+ 0 0 114 -4,-1.7 4,-2.8 -5,-0.3 -1,-0.2 0.925 111.4 51.8 -65.4 -38.4 21.6 5.1 -4.1 120 120 A M H <>S+ 0 0 24 -4,-1.8 5,-2.0 2,-0.2 4,-0.4 0.938 110.5 48.5 -63.2 -45.3 24.6 4.1 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-2.8 3,-1.8 1,-0.2 -1,-0.2 0.940 109.7 51.9 -60.3 -45.0 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.903 111.3 48.0 -58.4 -39.3 23.2 0.8 -2.4 123 123 A Q T 3<5S- 0 0 88 -4,-2.8 -1,-0.3 -5,-0.2 -2,-0.2 0.511 112.7-121.4 -81.5 -1.5 23.1 -0.6 -5.8 124 124 A K T < 5 + 0 0 100 -3,-1.8 2,-1.4 -4,-0.4 -3,-0.2 0.768 62.1 145.7 68.4 29.1 26.8 -1.6 -5.8 125 125 A R >< + 0 0 125 -5,-2.0 4,-2.6 1,-0.2 5,-0.2 -0.654 22.8 174.7 -96.7 75.5 27.7 0.5 -8.9 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.895 67.5 44.0 -55.7 -53.1 31.1 1.3 -7.5 127 127 A D H > S+ 0 0 106 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.900 114.8 51.0 -62.9 -38.1 32.7 3.3 -10.3 128 128 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 110.0 48.9 -67.9 -39.8 29.7 5.3 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.904 108.1 55.4 -63.4 -37.9 29.4 6.2 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.884 108.8 47.2 -62.1 -39.8 33.0 7.1 -7.2 131 131 A V H X S+ 0 0 101 -4,-1.8 4,-0.5 2,-0.2 3,-0.3 0.915 113.3 47.5 -69.1 -43.7 32.6 9.6 -10.0 132 132 A N H >< S+ 0 0 31 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.908 107.4 57.1 -64.6 -40.0 29.4 11.1 -8.4 133 133 A L H 3< S+ 0 0 3 -4,-3.1 6,-0.3 1,-0.3 -1,-0.2 0.836 101.6 55.8 -61.8 -31.8 31.1 11.4 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.1 2,-1.8 -3,-0.3 -1,-0.3 0.626 84.3 84.6 -76.4 -14.0 34.0 13.5 -6.4 135 135 A K S << S+ 0 0 168 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.599 81.3 98.2 -84.1 67.0 31.5 16.1 -7.8 136 136 A S S > S- 0 0 18 -2,-1.8 4,-2.4 1,-0.1 5,-0.2 -1.000 85.5-117.7-156.2 157.0 31.4 17.8 -4.4 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.942 114.4 61.8 -59.1 -43.6 32.7 20.6 -2.3 138 138 A W H > S+ 0 0 13 1,-0.3 4,-2.6 2,-0.2 8,-0.2 0.938 106.1 44.1 -47.6 -50.7 34.1 17.9 -0.0 139 139 A Y H 4 S+ 0 0 59 -6,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.909 113.7 48.5 -68.4 -41.1 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 111 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.848 116.1 45.1 -71.4 -26.7 37.5 20.0 -4.0 141 141 A Q H < S+ 0 0 106 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.852 131.1 17.3 -80.6 -40.8 38.3 21.1 -0.4 142 142 A T S X S+ 0 0 21 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 -0.586 74.3 162.5-133.2 71.6 40.1 18.0 0.9 143 143 A P H > + 0 0 45 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.880 69.4 52.0 -62.8 -43.7 41.0 16.1 -2.2 144 144 A N H > S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.946 116.0 40.7 -64.0 -41.6 43.7 13.8 -0.9 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.943 114.3 52.3 -66.8 -47.0 41.5 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.3 5,-0.2 0.894 108.1 53.9 -54.7 -41.5 38.4 12.4 -0.3 147 147 A K H X S+ 0 0 93 -4,-2.9 4,-2.8 1,-0.2 -1,-0.3 0.890 106.8 50.6 -62.3 -41.6 40.4 10.3 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.7 4,-1.5 -5,-0.2 12,-0.2 0.932 115.2 41.1 -60.8 -46.0 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.891 114.2 53.7 -70.3 -40.8 37.8 7.4 1.1 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.1 -5,-0.3 -2,-0.2 0.919 108.4 48.6 -58.4 -45.9 36.5 7.3 -2.5 151 151 A T H X S+ 0 0 40 -4,-2.8 4,-3.1 1,-0.2 6,-0.4 0.855 107.5 56.8 -62.8 -33.2 39.0 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.913 109.4 43.2 -63.9 -45.3 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 4 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.853 115.1 54.5 -69.2 -30.4 34.2 2.7 -1.6 154 154 A R H < S+ 0 0 106 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.953 124.4 18.0 -67.0 -47.2 35.4 1.9 -5.2 155 155 A T H < S- 0 0 44 -4,-3.1 -2,-0.2 2,-0.2 -3,-0.2 0.619 86.1-133.1-101.5 -19.6 37.4 -1.1 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.728 73.6 101.8 70.3 20.4 36.3 -2.4 -1.1 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.1 -1,-0.3 -0.786 79.7-118.3-125.8 175.4 40.0 -2.8 -0.0 158 158 A W S > S+ 0 0 40 -2,-0.3 3,-2.4 1,-0.2 4,-0.5 0.106 71.7 122.4 -98.1 17.3 42.3 -0.8 2.2 159 159 A D G > + 0 0 97 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.774 66.6 59.7 -51.2 -34.1 44.8 -0.1 -0.6 160 160 A A G 3 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.611 106.2 50.5 -69.0 -19.6 44.5 3.7 -0.3 161 161 A Y G < 0 0 19 -3,-2.4 -1,-0.3 -13,-0.1 -2,-0.2 0.561 360.0 360.0-102.4 -0.3 45.7 3.4 3.2 162 162 A K < 0 0 187 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.837 360.0 360.0 -96.2 360.0 48.8 1.2 2.7