==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-08 3FA0 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.H.M MOOERS,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8807.0 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 . 8 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 2 0 1 1 2 0 0 1 1 1 0 0 0 0 0 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 M 0 0 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 142.1 43.0 -1.8 8.9 2 2 A N > - 0 0 68 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.878 360.0 -83.6-150.8 176.1 39.8 -0.8 10.8 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.841 125.7 51.5 -60.5 -35.0 37.7 2.3 11.3 4 4 A F H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 112.4 44.3 -68.0 -47.3 39.9 3.6 14.1 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.892 114.1 52.1 -63.7 -39.6 43.2 3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.951 113.5 41.3 -61.0 -52.8 41.6 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 5,-0.3 0.848 109.4 59.3 -67.8 -32.0 40.3 7.9 10.9 8 8 A R H X S+ 0 0 99 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.900 108.8 46.1 -61.6 -40.3 43.6 8.2 12.8 9 9 A I H < S+ 0 0 84 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.941 117.3 42.8 -62.5 -49.7 45.4 8.5 9.4 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.814 124.8 32.5 -70.6 -30.3 42.9 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.7 19,-0.4 1,-0.2 -1,-0.2 0.641 91.3-152.9-103.0 -20.6 42.5 13.1 11.2 12 12 A G < - 0 0 23 -4,-1.8 2,-0.3 -5,-0.3 -1,-0.2 -0.164 23.0 -89.8 74.4-171.7 46.0 13.0 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.944 44.3 165.7-145.3 116.3 46.6 13.4 16.5 14 14 A R E -A 28 0A 151 14,-1.6 14,-2.3 -2,-0.3 4,-0.1 -0.999 22.0-159.8-133.4 131.3 47.3 16.8 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.539 74.5 64.8 -96.3 -5.7 47.1 17.3 21.9 16 16 A K E S-C 57 0B 151 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.861 101.5 -86.5-111.4 148.0 46.7 21.1 21.9 17 17 A I E + 0 0 32 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.289 57.8 169.3 -51.0 135.1 43.7 23.0 20.4 18 18 A Y E -A 26 0A 27 8,-2.5 8,-3.0 6,-0.1 2,-0.5 -0.860 36.7-101.8-138.8 168.3 44.2 23.6 16.7 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.893 35.2-137.9 -95.8 133.9 42.0 24.8 13.8 20 20 A D > - 0 0 46 4,-2.6 3,-2.0 -2,-0.5 -1,-0.1 0.049 42.5 -76.7 -74.2-173.7 40.7 22.1 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.737 134.5 48.1 -63.4 -22.2 40.5 22.4 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.362 123.4-101.6 -97.7 4.8 37.5 24.7 7.9 23 23 A G S < S+ 0 0 39 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.603 76.4 139.2 84.9 14.5 39.1 27.0 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.745 60.8-101.9 -99.2 138.9 37.2 25.5 13.5 25 25 A Y E +A 19 0A 37 11,-0.4 8,-2.7 9,-0.4 9,-1.3 -0.339 54.1 159.8 -61.8 130.6 38.7 24.8 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.5 6,-0.3 2,-0.3 -0.871 19.5-165.3-145.9 161.8 39.4 21.1 17.3 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.3 -2,-0.3 2,-0.2 -0.984 51.5 3.3-149.3 165.1 41.6 18.8 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.6 -2,-0.3 2,-0.9 -0.427 123.5 -6.4 70.9-131.2 42.8 15.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.2 -0.694 129.4 -52.8-103.1 73.1 41.9 13.0 16.6 30 30 A G T 4 S+ 0 0 12 -2,-0.9 2,-1.1 -19,-0.4 -2,-0.2 0.772 81.7 163.5 61.8 34.3 39.6 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-2.3 -4,-1.7 -20,-0.1 -1,-0.2 -0.647 32.0-142.2 -84.0 103.3 37.3 16.2 17.8 32 32 A L E -B 26 0A 68 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.456 18.6-174.4 -62.0 127.3 35.5 19.4 16.7 33 33 A L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.887 57.4 -36.2 -90.9 -44.9 35.0 21.7 19.7 34 34 A T - 0 0 32 -9,-1.3 -1,-0.4 2,-0.1 -9,-0.4 -0.952 35.3-128.8-171.5 157.8 32.9 24.5 18.3 35 35 A K S S+ 0 0 128 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.413 75.6 114.7 -92.8 -4.4 32.3 26.6 15.2 36 36 A S - 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.378 69.6-136.9 -65.5 142.6 32.6 29.7 17.3 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.522 76.2 105.3 -77.5 0.6 35.6 32.0 16.5 38 38 A S > - 0 0 47 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.697 57.5-161.1 -87.3 118.6 36.1 32.4 20.2 39 39 A L H > S+ 0 0 68 -2,-0.7 4,-2.7 1,-0.2 5,-0.2 0.899 95.1 56.5 -60.2 -37.3 39.1 30.5 21.6 40 40 A N H > S+ 0 0 118 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 104.7 51.8 -64.5 -36.8 37.5 30.8 25.1 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 110.1 48.9 -62.5 -40.0 34.4 29.2 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.913 109.1 52.1 -66.1 -40.4 36.4 26.3 22.5 43 43 A K H X S+ 0 0 58 -4,-2.7 4,-2.5 2,-0.2 11,-0.3 0.890 108.8 51.7 -63.4 -36.0 38.3 26.0 25.8 44 44 A S H X S+ 0 0 76 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.936 109.6 48.3 -64.6 -45.9 35.0 25.8 27.6 45 45 A E H X S+ 0 0 70 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.912 111.0 52.6 -59.4 -40.9 33.7 23.0 25.3 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.3 0.951 109.0 47.9 -59.6 -48.6 37.0 21.2 25.9 47 47 A D H X>S+ 0 0 33 -4,-2.5 4,-2.5 1,-0.2 5,-0.8 0.894 111.7 50.1 -63.7 -39.2 36.7 21.3 29.6 48 48 A K H <5S+ 0 0 149 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.871 111.5 49.8 -60.0 -39.9 33.1 20.1 29.5 49 49 A A H <5S+ 0 0 41 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.859 120.1 34.3 -71.3 -37.6 34.1 17.2 27.2 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.3 -1,-0.2 0.719 102.4-124.3 -92.5 -27.9 37.0 16.0 29.4 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.706 79.9 67.2 89.3 20.9 35.6 16.8 32.9 52 52 A R S - 0 0 9 -2,-0.9 3,-1.6 -11,-0.3 -1,-0.2 0.564 31.3-140.7 -93.2 -13.3 42.4 21.5 30.6 55 55 A N T 3 S- 0 0 132 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.851 73.8 -55.1 41.8 44.7 43.7 25.0 29.5 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-2.0 1,-0.2 2,-0.4 0.558 119.3 97.2 78.1 9.2 43.6 23.8 25.9 57 57 A V B < +C 16 0B 69 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.993 44.1 176.4-134.6 136.2 45.8 20.8 26.3 58 58 A I - 0 0 6 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.824 28.1-107.6-127.9 174.7 44.9 17.1 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.6 1,-0.1 5,-0.2 -0.523 33.0-108.0 -96.9 166.0 46.7 13.8 27.1 60 60 A K H > S+ 0 0 108 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 120.6 53.6 -58.8 -42.6 46.9 11.0 24.5 61 61 A D H > S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 109.5 48.4 -62.6 -40.6 44.6 8.8 26.6 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.923 110.3 51.4 -62.6 -41.3 42.0 11.6 26.7 63 63 A A H X S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 -34,-0.4 0.916 110.5 48.6 -58.7 -42.3 42.3 12.2 23.0 64 64 A E H X S+ 0 0 76 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.854 108.2 55.1 -71.1 -30.9 41.7 8.4 22.4 65 65 A K H X S+ 0 0 132 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.952 109.1 46.3 -66.1 -46.2 38.7 8.5 24.8 66 66 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.904 111.4 54.1 -58.5 -41.3 37.0 11.3 22.8 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.7 2,-0.2 5,-0.3 0.900 106.4 50.6 -61.1 -45.7 37.8 9.4 19.6 68 68 A N H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.930 113.2 46.2 -57.1 -47.1 36.1 6.3 20.9 69 69 A Q H X S+ 0 0 99 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.908 112.8 50.2 -60.6 -42.1 33.0 8.3 21.8 70 70 A D H X S+ 0 0 33 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.883 110.9 47.2 -69.1 -40.9 33.1 10.1 18.4 71 71 A V H X S+ 0 0 6 -4,-2.7 4,-2.5 2,-0.2 5,-0.3 0.948 113.1 49.6 -64.5 -45.9 33.3 6.9 16.3 72 72 A D H X S+ 0 0 105 -4,-2.3 4,-2.8 -5,-0.3 5,-0.3 0.942 111.9 48.7 -55.3 -50.7 30.5 5.3 18.4 73 73 A A H X S+ 0 0 64 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.881 109.6 52.0 -60.1 -36.9 28.3 8.4 17.9 74 74 A A H X S+ 0 0 10 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.936 113.4 44.3 -66.6 -43.5 29.0 8.5 14.2 75 75 A V H X S+ 0 0 33 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.927 115.5 44.6 -66.3 -48.8 28.0 4.8 13.7 76 76 A R H X S+ 0 0 123 -4,-2.8 4,-1.6 -5,-0.3 -1,-0.2 0.912 110.0 58.6 -67.0 -33.0 24.9 5.0 15.9 77 77 A G H X S+ 0 0 14 -4,-2.1 4,-0.6 -5,-0.3 -2,-0.2 0.896 104.3 50.8 -55.1 -45.7 24.0 8.3 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.2 7,-0.5 0.950 109.6 50.2 -54.8 -49.4 24.0 6.4 10.8 79 79 A L H 3< S+ 0 0 62 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.799 110.2 50.5 -68.3 -24.5 21.7 3.8 12.3 80 80 A R H 3< S+ 0 0 177 -4,-1.6 2,-0.5 -5,-0.2 -1,-0.3 0.493 93.5 87.6 -89.3 -2.7 19.3 6.4 13.6 81 81 A N S+ 0 0 128 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.840 119.3 38.8 -84.5 -34.1 18.5 7.9 4.7 84 84 A L H > S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.1 5,-0.2 0.885 101.9 68.0 -89.0 -35.2 21.8 6.5 5.9 85 85 A K H X S+ 0 0 97 -4,-2.7 4,-2.9 -7,-0.5 5,-0.2 0.898 99.8 47.9 -56.3 -50.4 20.8 3.3 7.7 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.893 114.1 47.4 -63.2 -34.9 19.6 1.3 4.7 87 87 A V H X S+ 0 0 6 -4,-0.6 4,-0.8 2,-0.2 3,-0.3 0.966 112.9 48.8 -67.1 -47.6 22.7 2.2 2.7 88 88 A Y H >< S+ 0 0 30 -4,-2.8 3,-1.5 1,-0.2 -1,-0.2 0.935 111.0 50.2 -54.1 -52.0 25.0 1.2 5.7 89 89 A D H 3< S+ 0 0 81 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.800 107.6 54.9 -60.4 -30.5 23.1 -2.1 6.2 90 90 A S H 3< S+ 0 0 35 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.664 96.7 86.8 -74.6 -19.1 23.5 -2.9 2.5 91 91 A L S << S- 0 0 7 -3,-1.5 2,-0.1 -4,-0.8 31,-0.0 -0.461 77.5-114.6 -85.9 156.5 27.3 -2.5 2.5 92 92 A D > - 0 0 53 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.278 43.7 -95.0 -70.3 164.9 30.2 -4.8 3.3 93 93 A A H > S+ 0 0 71 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.835 121.9 49.4 -57.9 -39.8 32.4 -4.1 6.3 94 94 A V H > S+ 0 0 29 62,-0.2 4,-1.2 2,-0.2 3,-0.4 0.947 113.2 45.8 -69.5 -46.7 35.1 -2.1 4.5 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.834 105.1 62.8 -65.4 -33.5 32.7 0.2 2.7 96 96 A R H X S+ 0 0 77 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.899 100.2 54.2 -52.9 -41.7 30.8 0.7 6.0 97 97 A C H X S+ 0 0 16 -4,-1.2 4,-2.5 -3,-0.4 -1,-0.2 0.882 103.5 55.1 -62.9 -35.1 34.0 2.3 7.2 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.911 109.3 47.0 -63.2 -41.1 34.1 4.7 4.3 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.908 110.8 51.2 -68.1 -42.2 30.6 5.8 5.2 100 100 A I H X S+ 0 0 6 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.919 108.0 54.4 -57.7 -41.6 31.5 6.2 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.933 107.7 48.7 -59.5 -47.0 34.5 8.3 7.8 102 102 A M H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 5,-0.4 0.915 112.5 48.1 -59.4 -44.6 32.3 10.7 5.8 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.906 109.0 53.6 -66.2 -38.0 29.9 11.1 8.8 104 104 A F H < S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.918 116.2 40.0 -59.3 -45.6 32.8 11.7 11.2 105 105 A Q H < S+ 0 0 54 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.883 134.9 13.8 -71.9 -42.0 34.1 14.5 8.9 106 106 A M H < S- 0 0 54 -4,-2.6 4,-0.5 -5,-0.2 -3,-0.2 0.477 102.9-111.7-121.1 -6.8 30.8 16.2 7.8 107 107 A G X - 0 0 31 -4,-2.4 4,-2.3 -5,-0.4 5,-0.2 0.080 34.7 -79.6 83.9 158.3 28.0 14.9 10.1 108 108 A E H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.895 126.6 52.3 -61.4 -42.7 25.0 12.8 9.4 109 109 A T H > S+ 0 0 118 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.947 109.9 48.9 -65.2 -42.5 22.9 15.6 7.9 110 110 A G H >4 S+ 0 0 33 -4,-0.5 3,-0.7 1,-0.2 4,-0.2 0.941 113.9 44.5 -63.5 -46.4 25.6 16.5 5.5 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.892 106.0 60.7 -67.2 -37.5 26.2 12.9 4.3 112 112 A A H 3< S+ 0 0 6 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.762 94.2 66.8 -62.6 -21.0 22.5 12.2 4.1 113 113 A G T << S+ 0 0 53 -4,-1.0 2,-1.6 -3,-0.7 3,-0.3 0.630 75.7 86.4 -73.3 -9.3 22.4 15.1 1.4 114 114 A F <> + 0 0 41 -3,-2.0 4,-2.7 -4,-0.2 5,-0.3 -0.234 57.0 154.3 -80.3 47.8 24.5 12.9 -0.9 115 115 A T H > + 0 0 79 -2,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.865 65.7 42.9 -52.9 -47.2 21.2 11.4 -2.1 116 116 A N H > S+ 0 0 98 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.907 115.2 49.2 -71.9 -37.8 22.3 10.3 -5.6 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 110.2 52.2 -64.5 -40.5 25.7 8.9 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.887 108.3 50.8 -62.7 -41.4 23.9 6.9 -1.6 119 119 A R H X S+ 0 0 155 -4,-2.1 4,-2.2 -5,-0.3 -1,-0.2 0.930 109.9 49.5 -62.1 -46.8 21.5 5.4 -4.1 120 120 A M H <>S+ 0 0 40 -4,-2.1 5,-2.4 2,-0.2 4,-0.3 0.900 111.1 50.6 -61.0 -39.4 24.4 4.3 -6.4 121 121 A L H ><5S+ 0 0 1 -4,-2.4 3,-1.3 2,-0.2 -2,-0.2 0.928 109.3 49.9 -60.1 -45.3 26.1 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.879 111.6 49.6 -60.9 -35.8 22.9 0.9 -2.4 123 123 A Q T 3<5S- 0 0 79 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.508 111.6-124.5 -78.9 -6.6 22.8 -0.3 -6.0 124 124 A K T < 5 + 0 0 97 -3,-1.3 2,-1.3 -4,-0.3 -3,-0.2 0.793 61.0 147.2 61.3 35.5 26.4 -1.4 -5.8 125 125 A R >< + 0 0 123 -5,-2.4 4,-2.9 1,-0.2 5,-0.2 -0.681 21.0 172.3 -93.4 71.7 27.2 0.7 -8.9 126 126 A W H > + 0 0 51 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.881 67.2 45.4 -68.2 -41.1 30.7 1.4 -7.5 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.916 116.6 48.0 -67.9 -40.7 32.4 3.2 -10.4 128 128 A E H > S+ 0 0 109 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.904 110.9 50.7 -64.0 -43.4 29.3 5.4 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.9 4,-2.8 1,-0.2 -1,-0.2 0.912 108.6 52.6 -60.7 -43.3 29.1 6.2 -7.1 130 130 A A H X S+ 0 0 13 -4,-2.2 4,-1.2 -5,-0.2 -2,-0.2 0.905 109.5 48.1 -61.4 -41.7 32.8 7.1 -7.1 131 131 A V H X S+ 0 0 88 -4,-2.1 4,-0.5 1,-0.2 3,-0.3 0.924 114.2 47.5 -62.1 -43.6 32.3 9.6 -9.9 132 132 A N H >< S+ 0 0 38 -4,-2.3 3,-1.2 1,-0.2 -2,-0.2 0.906 106.2 56.7 -67.7 -41.4 29.3 11.1 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.833 101.9 57.6 -57.4 -35.6 30.9 11.4 -4.8 134 134 A A H 3< S+ 0 0 28 -4,-1.2 2,-1.9 -3,-0.3 -1,-0.3 0.641 84.6 82.2 -73.0 -15.5 33.7 13.5 -6.3 135 135 A K S << S+ 0 0 159 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.535 81.8 98.2 -85.7 69.1 31.2 16.1 -7.7 136 136 A S S > S- 0 0 17 -2,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.999 85.8-117.8-156.3 151.3 31.1 17.8 -4.3 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.913 115.3 62.8 -54.2 -42.4 32.5 20.6 -2.1 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.919 105.1 43.0 -48.0 -56.4 33.9 17.8 0.0 139 139 A Y H 4 S+ 0 0 50 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.0 49.4 -60.8 -47.4 36.1 16.5 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.875 116.2 41.2 -65.2 -33.9 37.3 19.9 -3.8 141 141 A Q H < S+ 0 0 111 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.837 133.1 20.4 -83.9 -33.8 38.1 21.2 -0.4 142 142 A T S X S+ 0 0 20 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 -0.576 75.1 158.5-129.8 68.8 39.8 17.9 0.9 143 143 A P H > + 0 0 49 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.869 69.8 51.7 -68.3 -38.7 40.7 16.1 -2.3 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.940 116.3 40.7 -66.9 -43.0 43.4 13.8 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 115.3 51.1 -66.6 -46.4 41.2 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.902 107.0 54.8 -59.3 -40.4 38.1 12.3 -0.3 147 147 A K H X S+ 0 0 100 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.902 108.4 49.3 -60.4 -40.0 40.1 10.3 -2.9 148 148 A R H X S+ 0 0 68 -4,-1.6 4,-1.8 2,-0.2 12,-0.2 0.934 113.9 44.5 -62.3 -45.5 41.1 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.916 113.6 50.3 -65.3 -44.2 37.5 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.1 4,-2.6 2,-0.2 -1,-0.2 0.910 107.6 53.1 -63.6 -41.3 36.2 7.2 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.6 4,-2.5 -5,-0.2 6,-0.4 0.883 107.3 53.3 -60.1 -36.7 38.7 4.5 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.924 111.7 44.3 -63.8 -44.9 37.5 2.5 -0.5 153 153 A F H < S+ 0 0 1 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.867 114.7 50.3 -64.6 -37.1 33.9 2.8 -1.7 154 154 A R H < S+ 0 0 109 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.932 127.2 20.1 -69.1 -41.6 35.0 1.9 -5.3 155 155 A T H < S- 0 0 38 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.677 84.7-134.6-104.6 -23.6 37.0 -1.2 -4.4 156 156 A G S < S+ 0 0 18 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.748 73.6 106.8 64.8 24.2 35.9 -2.4 -1.0 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.790 79.6-121.4-123.7 169.4 39.6 -2.8 -0.2 158 158 A W S >> S+ 0 0 54 -2,-0.3 3,-2.2 1,-0.2 4,-1.6 0.106 70.1 123.5 -96.1 19.8 42.0 -0.9 2.0 159 159 A D T 34 + 0 0 117 1,-0.3 -1,-0.2 2,-0.2 -7,-0.0 0.777 68.9 55.1 -57.5 -32.2 44.4 -0.1 -0.8 160 160 A A T 34 S+ 0 0 35 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.608 114.7 40.1 -76.3 -11.5 44.2 3.6 -0.3 161 161 A Y T <4 0 0 18 -3,-2.2 -2,-0.2 -13,-0.1 -1,-0.2 0.520 360.0 360.0-113.8 -12.6 45.3 3.3 3.3 162 162 A K < 0 0 121 -4,-1.6 -2,-0.1 -161,-0.0 -3,-0.1 0.884 360.0 360.0 -76.5 360.0 47.9 0.5 3.0