==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 20-JUN-94 160L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8661.0 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 . 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 . 87 53.7 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 0 3 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 155.3 43.5 -1.9 9.1 2 2 A N > - 0 0 67 156,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.935 360.0 -78.3-153.5 177.7 40.3 -0.7 10.7 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.804 124.3 49.4 -50.8 -41.7 38.2 2.4 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.930 114.2 43.2 -67.0 -48.6 40.3 3.7 14.1 5 5 A E H > S+ 0 0 97 1,-0.2 4,-1.5 2,-0.2 -2,-0.2 0.873 113.9 53.3 -65.0 -39.0 43.5 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 3,-0.3 0.950 112.8 40.9 -60.3 -55.0 41.9 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.4 0.857 108.5 61.8 -65.0 -29.8 40.6 7.8 10.8 8 8 A R H X S+ 0 0 93 -4,-2.2 4,-1.5 -5,-0.3 -1,-0.2 0.898 107.2 46.2 -64.4 -31.2 43.8 8.2 12.8 9 9 A I H < S+ 0 0 83 -4,-1.5 -1,-0.2 -3,-0.3 -2,-0.2 0.910 115.2 45.4 -75.4 -42.3 45.6 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.809 124.8 29.5 -71.6 -34.2 43.1 11.0 8.1 11 11 A E H < S- 0 0 45 -4,-2.7 19,-0.3 -5,-0.2 -1,-0.2 0.705 92.6-153.8 -97.3 -26.0 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.5 2,-0.4 -5,-0.4 -1,-0.2 -0.273 25.5 -81.9 76.3-166.5 46.2 13.0 12.7 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.947 43.0 173.8-142.7 119.3 46.8 13.6 16.4 14 14 A R E -A 28 0A 137 14,-2.0 14,-2.6 -2,-0.4 4,-0.1 -0.999 17.7-166.2-130.5 127.7 47.2 16.9 18.1 15 15 A L E S+ 0 0 59 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.464 74.1 59.0 -90.2 -6.9 47.4 17.4 21.8 16 16 A K E S-C 57 0B 124 41,-0.2 12,-0.2 12,-0.1 41,-0.2 -0.853 102.3 -84.8-118.6 155.7 46.9 21.2 21.8 17 17 A I E + 0 0 28 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.343 58.7 171.7 -55.4 132.5 43.9 23.1 20.5 18 18 A Y E -A 26 0A 25 8,-3.3 8,-3.1 -4,-0.1 2,-0.5 -0.886 34.7-104.1-138.3 170.4 44.4 23.7 16.7 19 19 A K E -A 25 0A 119 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.851 34.2-137.4 -98.3 135.9 42.3 25.0 13.8 20 20 A D > - 0 0 48 4,-3.5 3,-2.4 -2,-0.5 -1,-0.1 -0.120 40.2 -81.2 -78.6-175.9 41.0 22.5 11.4 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.706 136.0 49.0 -57.5 -22.1 40.9 22.7 7.5 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.388 124.1-106.0 -95.2 -4.4 37.8 25.0 7.9 23 23 A G S < S+ 0 0 32 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.650 74.3 140.1 86.4 23.9 39.5 27.2 10.6 24 24 A Y - 0 0 77 1,-0.0 -4,-3.5 9,-0.0 -1,-0.3 -0.805 59.8-101.8-103.4 150.4 37.6 25.7 13.5 25 25 A Y E +AB 19 34A 36 9,-0.7 8,-2.7 11,-0.4 9,-1.4 -0.446 53.0 159.2 -70.7 131.2 39.0 24.9 16.8 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-3.3 6,-0.3 2,-0.3 -0.904 19.5-165.1-143.9 166.0 39.6 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.1 -2,-0.3 2,-0.2 -0.983 52.0 2.9-150.7 163.9 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-2.0 -2,-0.3 2,-0.8 -0.482 122.5 -7.0 70.6-129.4 42.9 15.3 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.715 129.1 -51.1-109.3 74.3 42.0 13.2 16.6 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-0.9 -19,-0.3 -2,-0.2 0.746 84.4 160.4 64.7 31.3 39.7 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.9 1,-0.0 2,-0.2 -0.688 32.1-144.6 -82.2 102.8 37.5 16.3 17.8 32 32 A L E -B 26 0A 69 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.478 19.1-177.3 -70.1 132.8 35.7 19.5 16.8 33 33 A L E - 0 0 15 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.887 57.7 -24.1 -94.7 -48.4 35.3 21.8 19.7 34 34 A T E -B 25 0A 27 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.964 34.8-137.7-163.0 154.0 33.4 24.7 18.4 35 35 A K S S+ 0 0 148 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.385 74.2 112.0 -92.8 -1.5 32.6 26.6 15.3 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.476 73.1-131.0 -81.9 145.7 33.0 29.8 17.2 37 37 A P S S+ 0 0 117 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.452 77.6 99.5 -70.4 -3.8 35.7 32.1 16.5 38 38 A S > - 0 0 46 1,-0.1 4,-1.5 -13,-0.0 -2,-0.1 -0.827 56.4-159.8-100.6 128.7 36.6 32.4 20.1 39 39 A L H > S+ 0 0 72 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.713 98.7 56.4 -72.2 -26.6 39.5 30.4 21.8 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.928 104.7 49.5 -71.9 -44.0 38.0 31.0 25.0 41 41 A A H > S+ 0 0 33 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.921 112.1 50.1 -59.8 -37.4 34.9 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-1.5 4,-3.0 2,-0.2 -2,-0.2 0.930 108.9 51.9 -64.7 -43.0 37.0 26.5 22.6 43 43 A K H X S+ 0 0 58 -4,-2.7 4,-2.2 1,-0.2 11,-0.2 0.917 110.3 48.5 -63.7 -35.7 38.8 26.2 25.9 44 44 A S H X S+ 0 0 73 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.923 110.8 47.9 -72.3 -40.9 35.6 26.0 27.7 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.2 -5,-0.2 -1,-0.2 0.910 111.2 55.2 -65.5 -36.6 34.1 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 -5,-0.2 5,-0.3 0.920 108.6 44.6 -62.1 -43.1 37.3 21.5 25.9 47 47 A D H X>S+ 0 0 36 -4,-2.2 4,-1.7 1,-0.2 5,-1.0 0.871 112.1 52.9 -70.2 -34.0 37.2 21.5 29.7 48 48 A K H <5S+ 0 0 139 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.882 110.0 49.4 -65.0 -39.9 33.5 20.5 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.886 120.9 32.9 -65.0 -41.0 34.4 17.6 27.3 50 50 A I H <5S- 0 0 38 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.610 102.1-125.7 -90.6 -21.4 37.3 16.2 29.5 51 51 A G T <5S+ 0 0 67 -4,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.817 77.5 77.6 77.5 31.7 35.9 17.1 32.8 52 52 A R S - 0 0 7 -2,-0.9 3,-1.5 -11,-0.2 -1,-0.2 0.662 32.6-141.1 -91.7 -20.2 42.8 21.7 30.7 55 55 A N T 3 S- 0 0 132 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.811 73.8 -64.0 60.9 24.9 44.4 25.0 29.7 56 56 A G T 3 S+ 0 0 5 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.619 117.3 102.3 72.5 16.0 43.9 23.8 26.1 57 57 A V B < +C 16 0B 58 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.994 45.2 179.3-126.8 138.0 46.2 20.8 26.4 58 58 A I - 0 0 4 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.809 27.2-110.7-129.1 171.6 45.1 17.1 26.8 59 59 A T > - 0 0 66 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.504 33.1-104.5 -96.3 174.0 47.0 13.9 27.1 60 60 A K H > S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.881 121.4 53.8 -63.8 -41.4 47.1 11.1 24.6 61 61 A D H > S+ 0 0 121 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 108.6 49.5 -59.4 -41.9 44.8 9.0 26.6 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.897 109.5 51.8 -63.5 -41.6 42.3 11.8 26.8 63 63 A A H X S+ 0 0 1 -4,-2.1 4,-2.0 1,-0.2 -34,-0.4 0.923 111.2 49.2 -61.9 -40.7 42.6 12.3 23.0 64 64 A E H X S+ 0 0 73 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.808 106.6 53.5 -69.3 -33.2 41.9 8.6 22.6 65 65 A K H X S+ 0 0 136 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.950 109.7 48.1 -67.2 -41.8 38.9 8.6 24.9 66 66 A L H X S+ 0 0 4 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.892 111.6 52.9 -61.5 -37.4 37.3 11.5 22.8 67 67 A F H X S+ 0 0 14 -4,-2.0 4,-2.8 1,-0.2 5,-0.3 0.925 105.8 51.4 -66.1 -44.9 38.1 9.5 19.7 68 68 A N H X S+ 0 0 89 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.913 112.8 46.3 -57.2 -41.8 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 96 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.871 112.4 51.1 -66.7 -38.5 33.2 8.3 21.8 70 70 A D H X S+ 0 0 37 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.883 110.6 46.7 -68.0 -40.1 33.3 10.1 18.5 71 71 A V H X S+ 0 0 5 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.941 113.9 49.0 -67.2 -46.2 33.6 6.9 16.5 72 72 A D H X S+ 0 0 93 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.932 110.3 50.4 -57.2 -45.4 30.9 5.3 18.5 73 73 A A H X S+ 0 0 58 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.886 108.8 53.1 -62.4 -38.0 28.6 8.3 18.1 74 74 A A H X S+ 0 0 10 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.949 109.9 46.8 -62.1 -50.0 29.2 8.2 14.3 75 75 A V H X S+ 0 0 34 -4,-2.5 4,-2.1 1,-0.2 3,-0.2 0.928 113.7 49.8 -57.9 -44.2 28.2 4.6 14.0 76 76 A R H X S+ 0 0 153 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.907 107.5 51.2 -66.3 -38.5 25.2 5.2 16.1 77 77 A G H X S+ 0 0 2 -4,-2.5 4,-0.6 2,-0.2 -1,-0.2 0.800 108.4 54.0 -67.1 -29.5 24.0 8.1 14.1 78 78 A I H >< S+ 0 0 0 -4,-1.6 3,-0.9 -3,-0.2 7,-0.4 0.940 109.0 49.7 -65.5 -45.5 24.3 6.0 10.9 79 79 A L H 3< S+ 0 0 65 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.762 113.9 43.9 -69.6 -24.5 22.1 3.4 12.6 80 80 A R H 3< S+ 0 0 186 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.524 91.6 95.5 -92.8 -13.6 19.5 5.8 13.5 81 81 A N S+ 0 0 0 -7,-0.2 4,-2.5 -6,-0.2 3,-0.3 0.849 101.6 64.0 -81.4 -42.4 22.0 6.1 6.2 85 85 A K H X S+ 0 0 82 -4,-2.8 4,-3.0 -7,-0.4 5,-0.3 0.895 98.9 52.0 -51.7 -47.2 21.2 2.8 7.8 86 86 A P H > S+ 0 0 54 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.898 112.7 48.6 -62.8 -33.8 19.9 1.0 4.7 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-0.7 -3,-0.3 3,-0.3 0.953 112.2 45.5 -68.1 -52.2 23.1 1.9 3.0 88 88 A Y H >< S+ 0 0 32 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.935 111.1 54.0 -54.7 -47.8 25.4 0.9 5.8 89 89 A D H 3< S+ 0 0 75 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.829 106.9 53.8 -59.1 -31.9 23.5 -2.5 6.2 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.637 97.5 84.6 -76.9 -17.5 24.0 -3.2 2.5 91 91 A L S << S- 0 0 6 -3,-1.3 2,-0.1 -4,-0.7 31,-0.0 -0.529 75.0-115.6 -92.4 163.8 27.7 -2.7 2.5 92 92 A D > - 0 0 55 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.263 43.7 -90.7 -79.9 172.3 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.864 122.0 46.9 -55.5 -47.2 33.1 -4.3 6.1 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.911 114.2 45.8 -65.5 -43.4 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.868 105.6 61.4 -72.0 -27.3 33.1 0.1 2.7 96 96 A R H X S+ 0 0 79 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.928 101.7 54.2 -61.7 -41.1 31.2 0.4 5.9 97 97 A A H X S+ 0 0 8 -4,-1.5 4,-2.3 1,-0.2 -1,-0.3 0.886 104.3 53.3 -59.5 -38.4 34.3 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.867 108.5 49.8 -66.4 -34.7 34.4 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.901 109.8 51.4 -68.8 -37.0 30.8 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.2 4,-3.0 -5,-0.2 5,-0.2 0.938 107.0 54.5 -65.8 -41.2 31.7 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.933 109.2 46.7 -56.8 -47.7 34.8 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-3.3 1,-0.2 5,-0.4 0.909 112.3 50.0 -62.1 -41.0 32.6 10.5 6.0 103 103 A V H X S+ 0 0 10 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.949 109.3 51.9 -65.3 -41.1 30.1 10.7 8.8 104 104 A F H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.929 117.0 40.2 -55.7 -45.5 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 58 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.901 131.8 19.3 -67.9 -50.8 34.1 14.2 9.1 106 106 A M H X S- 0 0 53 -4,-3.3 4,-0.6 -5,-0.2 -3,-0.2 0.478 102.2-113.8-107.8 -8.0 30.9 15.8 7.9 107 107 A G H X - 0 0 32 -4,-2.5 4,-2.5 -5,-0.4 5,-0.1 0.129 34.8 -81.4 85.4 152.2 28.2 14.8 10.2 108 108 A E H > S+ 0 0 53 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.807 127.4 52.1 -58.5 -37.6 25.2 12.7 9.5 109 109 A T H > S+ 0 0 120 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.920 107.7 51.9 -68.9 -44.9 23.2 15.4 7.9 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.8 1,-0.2 -2,-0.2 0.948 114.9 42.8 -59.2 -49.3 26.0 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-2.3 1,-0.2 -2,-0.2 0.895 103.3 63.5 -65.1 -40.5 26.3 12.7 4.5 112 112 A A H 3< S+ 0 0 9 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.735 96.2 65.6 -57.0 -21.0 22.5 12.0 4.2 113 113 A G T << S+ 0 0 54 -4,-0.9 2,-1.8 -3,-0.8 3,-0.3 0.529 71.5 88.4 -81.0 -7.3 22.4 14.6 1.5 114 114 A F <> + 0 0 40 -3,-2.3 4,-2.8 1,-0.2 5,-0.3 -0.331 55.6 160.2 -86.6 57.6 24.6 12.7 -1.0 115 115 A T H > + 0 0 77 -2,-1.8 4,-2.0 1,-0.3 -1,-0.2 0.878 65.0 47.2 -45.2 -53.6 21.4 11.3 -2.2 116 116 A N H > S+ 0 0 108 -3,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.873 112.6 46.9 -61.3 -44.5 22.7 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.852 110.2 56.1 -67.0 -35.8 25.9 8.6 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.909 106.4 49.6 -62.2 -44.5 24.0 6.8 -1.5 119 119 A R H X S+ 0 0 152 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.909 111.9 47.5 -62.4 -40.6 21.7 5.3 -4.1 120 120 A A H X>S+ 0 0 8 -4,-1.6 5,-2.4 1,-0.2 4,-0.6 0.906 111.9 50.3 -69.9 -38.4 24.7 4.1 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.947 109.3 50.9 -64.2 -44.6 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 86 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.884 111.7 47.2 -59.9 -34.5 23.4 0.8 -2.2 123 123 A Q H 3<5S- 0 0 77 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.481 114.0-119.2 -83.8 -2.4 23.0 -0.6 -5.7 124 124 A K T <<5 + 0 0 99 -3,-1.4 2,-1.1 -4,-0.6 -3,-0.2 0.813 62.9 147.5 67.6 32.9 26.7 -1.6 -5.7 125 125 A R >< + 0 0 106 -5,-2.4 4,-2.2 1,-0.2 -1,-0.2 -0.751 22.1 177.9 -98.7 84.3 27.5 0.6 -8.7 126 126 A W H > S+ 0 0 50 -2,-1.1 4,-2.3 1,-0.2 -1,-0.2 0.867 71.5 43.8 -58.1 -51.4 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.886 113.5 52.0 -64.8 -40.0 32.5 3.5 -10.3 128 128 A E H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.912 110.5 48.6 -63.4 -42.8 29.3 5.5 -10.6 129 129 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.912 109.4 53.2 -60.6 -44.4 29.3 6.3 -6.9 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.863 109.3 48.0 -60.3 -38.8 32.9 7.3 -7.0 131 131 A V H X S+ 0 0 88 -4,-1.9 4,-0.6 1,-0.2 3,-0.3 0.937 113.9 46.3 -70.2 -44.4 32.4 9.7 -9.8 132 132 A N H >< S+ 0 0 46 -4,-2.1 3,-0.8 1,-0.2 -2,-0.2 0.867 107.6 56.5 -64.7 -37.9 29.4 11.3 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.2 -1,-0.2 0.863 101.1 60.1 -61.1 -34.5 31.1 11.5 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.7 -3,-0.3 -1,-0.2 0.691 86.3 78.2 -68.9 -19.5 33.9 13.6 -6.5 135 135 A K S << S+ 0 0 161 -3,-0.8 2,-0.3 -4,-0.6 -1,-0.2 -0.501 80.3 97.4 -89.0 71.2 31.4 16.3 -7.5 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.996 84.4-118.3-156.8 153.4 31.3 17.9 -4.2 137 137 A R H > S+ 0 0 150 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.912 115.0 64.9 -60.0 -39.3 32.7 20.7 -2.2 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.2 2,-0.2 8,-0.2 0.942 104.2 43.9 -45.8 -52.4 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.918 114.6 50.0 -66.0 -37.7 36.3 16.6 -2.8 140 140 A N H < S+ 0 0 110 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.844 114.6 42.3 -73.0 -30.7 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 106 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.818 132.1 19.2 -83.3 -34.4 38.3 21.2 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 -0.563 74.0 161.8-136.2 70.2 40.1 18.1 0.9 143 143 A P H > + 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.840 69.1 51.4 -61.7 -42.8 41.0 16.2 -2.2 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.927 115.3 42.4 -66.9 -40.9 43.6 13.8 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.923 114.3 51.0 -67.8 -45.8 41.5 12.6 1.9 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 -8,-0.2 -2,-0.2 0.929 108.0 53.2 -57.1 -43.0 38.4 12.4 -0.2 147 147 A K H X S+ 0 0 93 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.862 107.0 53.8 -60.4 -35.7 40.3 10.3 -2.9 148 148 A R H X S+ 0 0 67 -4,-1.5 4,-1.5 2,-0.2 12,-0.2 0.947 112.8 40.6 -64.8 -44.8 41.3 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.927 114.6 53.2 -68.7 -39.3 37.8 7.4 0.9 150 150 A I H X S+ 0 0 13 -4,-3.1 4,-2.5 -5,-0.3 -1,-0.2 0.934 107.9 49.8 -62.2 -44.2 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 37 -4,-2.5 4,-2.6 1,-0.2 6,-0.4 0.815 107.2 57.1 -61.0 -34.3 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.907 109.8 42.9 -62.9 -46.7 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.901 115.0 51.7 -67.5 -37.3 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 100 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.930 125.7 21.0 -63.0 -48.9 35.5 1.9 -5.4 155 155 A T H < S- 0 0 48 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.697 86.3-136.0 -94.8 -30.2 37.6 -1.1 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.4 2,-0.3 1,-0.3 -62,-0.2 0.732 71.8 104.5 73.1 23.3 36.4 -2.3 -1.2 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.2 -1,-0.3 -0.796 79.4-120.5-126.4 170.5 40.1 -2.7 -0.1 158 158 A W S >> S+ 0 0 42 -2,-0.3 3,-2.3 1,-0.2 4,-0.6 0.121 73.0 121.2 -93.9 16.2 42.3 -0.6 2.2 159 159 A D G >4 + 0 0 96 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.849 64.8 59.4 -53.2 -38.8 44.8 -0.0 -0.6 160 160 A A G 34 S+ 0 0 35 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.654 106.7 50.5 -63.9 -17.1 44.6 3.7 -0.5 161 161 A Y G <4 0 0 20 -3,-2.3 -1,-0.2 -13,-0.1 -2,-0.2 0.495 360.0 360.0-102.1 -1.4 45.7 3.6 3.2 162 162 A K << 0 0 177 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.861 360.0 360.0 -97.3 360.0 48.9 1.3 2.8