==== 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 3DN2 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR L.LIU,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9101.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 70.1 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 6.1 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 51.8 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 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 M 0 0 71 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 148.4 43.1 -1.6 8.8 2 2 A N > - 0 0 68 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.928 360.0 -78.1-162.8 177.3 39.8 -0.6 10.4 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.849 127.1 50.7 -57.5 -38.0 37.6 2.6 11.1 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.949 114.6 41.3 -64.9 -50.1 39.8 3.7 14.0 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.873 115.1 53.9 -64.1 -38.0 43.1 3.4 12.1 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.948 112.0 41.6 -61.9 -52.4 41.5 4.9 9.0 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 5,-0.4 0.841 109.5 59.8 -68.7 -32.2 40.2 8.0 10.8 8 8 A R H X S+ 0 0 106 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.907 108.6 45.3 -59.6 -41.6 43.5 8.3 12.7 9 9 A I H < S+ 0 0 49 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.941 117.9 42.7 -63.3 -48.9 45.2 8.6 9.3 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.816 125.6 31.4 -71.5 -33.2 42.7 11.1 7.9 11 11 A E H < S- 0 0 42 -4,-2.9 19,-0.4 1,-0.2 -1,-0.2 0.689 92.6-153.1 -99.9 -23.6 42.4 13.3 11.1 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.227 24.0 -87.2 74.3-172.4 45.9 13.0 12.6 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.946 45.6 165.5-139.9 120.1 46.5 13.4 16.3 14 14 A R E -A 28 0A 148 14,-1.6 14,-2.4 -2,-0.4 4,-0.1 -0.999 22.1-160.0-135.5 131.6 47.2 16.8 18.1 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.473 73.8 62.8 -95.2 -2.8 47.0 17.3 21.8 16 16 A K E S-C 57 0B 148 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.908 101.5 -83.0-119.5 150.4 46.5 21.1 21.9 17 17 A I E + 0 0 34 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.253 58.9 166.5 -52.6 128.4 43.6 23.0 20.5 18 18 A Y E -A 26 0A 27 8,-2.8 8,-3.3 -4,-0.1 2,-0.5 -0.877 37.9-102.5-136.3 169.3 44.0 23.6 16.7 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.852 34.7-137.9 -99.3 132.5 41.8 24.7 13.8 20 20 A D > - 0 0 44 4,-3.0 3,-1.7 -2,-0.5 -1,-0.1 0.061 42.0 -76.6 -74.1-170.5 40.5 22.1 11.4 21 21 A T T 3 S+ 0 0 112 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.741 134.4 49.1 -63.8 -24.1 40.3 22.3 7.6 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.381 123.6-102.5 -94.4 0.3 37.2 24.6 7.9 23 23 A G S < S+ 0 0 39 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.593 76.1 140.5 89.7 14.7 38.9 26.9 10.5 24 24 A Y - 0 0 76 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.736 61.0-101.0 -98.7 138.8 37.1 25.5 13.5 25 25 A Y E +A 19 0A 37 9,-0.4 8,-2.5 11,-0.4 9,-1.3 -0.312 54.9 161.5 -59.4 130.3 38.6 24.8 16.9 26 26 A T E -AB 18 32A 2 -8,-3.3 -8,-2.8 6,-0.3 2,-0.3 -0.899 19.5-165.7-147.0 160.1 39.3 21.1 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 -12,-0.2 -0.978 51.9 0.2-149.5 162.3 41.5 18.8 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.6 -2,-0.3 2,-1.0 -0.370 124.3 -4.0 68.2-128.9 42.8 15.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.667 129.2 -53.9-102.2 74.5 41.8 13.0 16.6 30 30 A G T 4 S+ 0 0 13 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.825 81.8 164.5 61.3 34.1 39.5 15.5 14.7 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.7 -20,-0.1 2,-0.2 -0.732 31.2-142.9 -83.2 100.8 37.3 16.2 17.7 32 32 A L E -B 26 0A 75 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.449 20.0-177.1 -62.9 126.2 35.4 19.3 16.7 33 33 A L - 0 0 12 -8,-2.5 2,-0.3 1,-0.4 -7,-0.2 0.864 58.7 -32.2 -90.6 -44.7 34.9 21.6 19.8 34 34 A T - 0 0 30 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.966 34.3-131.4-173.0 153.0 32.8 24.4 18.3 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.456 76.3 114.1 -91.3 -4.2 32.2 26.5 15.2 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.409 69.5-138.2 -66.6 138.6 32.5 29.6 17.3 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.498 75.7 104.6 -76.8 -0.9 35.4 31.9 16.6 38 38 A S > - 0 0 49 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.720 57.8-160.9 -85.6 117.5 36.0 32.3 20.3 39 39 A L H > S+ 0 0 70 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.860 95.0 56.2 -61.1 -37.2 38.9 30.4 21.7 40 40 A N H > S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.875 105.1 51.2 -62.3 -38.3 37.4 30.7 25.2 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.896 111.0 49.2 -62.7 -42.5 34.2 29.1 23.9 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.897 109.2 51.2 -62.7 -44.3 36.3 26.2 22.5 43 43 A K H X S+ 0 0 49 -4,-2.6 4,-2.7 2,-0.2 11,-0.3 0.880 109.1 51.9 -61.9 -39.3 38.3 25.8 25.8 44 44 A S H X S+ 0 0 68 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.918 109.0 49.5 -61.7 -46.7 34.9 25.6 27.6 45 45 A E H X S+ 0 0 67 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.894 111.2 50.9 -59.1 -41.0 33.7 22.9 25.2 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.953 109.7 48.3 -60.8 -52.7 37.0 21.0 25.8 47 47 A D H X>S+ 0 0 38 -4,-2.7 4,-2.6 1,-0.2 5,-1.1 0.893 112.7 49.4 -53.4 -44.7 36.7 21.2 29.6 48 48 A K H <5S+ 0 0 144 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.875 112.8 47.6 -63.3 -40.3 33.0 19.9 29.4 49 49 A A H <5S+ 0 0 40 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.886 120.3 36.2 -69.0 -40.6 34.1 17.0 27.1 50 50 A I H <5S- 0 0 36 -4,-2.6 -2,-0.2 2,-0.2 -1,-0.2 0.762 102.6-126.7 -85.8 -30.5 37.0 15.9 29.2 51 51 A G T <5S+ 0 0 69 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.2 0.749 76.7 75.5 85.6 26.9 35.5 16.6 32.6 52 52 A R S - 0 0 17 -2,-1.0 3,-0.8 -11,-0.3 -1,-0.2 0.747 34.3-147.2 -95.0 -31.5 42.3 21.7 30.8 55 55 A N T 3 S- 0 0 110 1,-0.2 -2,-0.1 -12,-0.2 -11,-0.1 0.921 75.5 -49.3 44.1 51.4 43.2 25.1 29.4 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.9 1,-0.1 2,-0.4 0.364 114.7 94.6 89.0 -2.0 43.6 23.7 25.9 57 57 A V B < +C 16 0B 69 -3,-0.8 2,-0.3 -41,-0.2 -41,-0.2 -0.985 42.9 177.8-128.1 136.1 45.9 20.6 26.2 58 58 A I - 0 0 5 -43,-2.7 2,-0.1 -2,-0.4 -30,-0.1 -0.826 28.2-108.3-127.1 167.1 44.9 17.0 26.7 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.1 -0.464 33.0-109.1 -87.6 166.2 46.8 13.6 27.0 60 60 A K H > S+ 0 0 115 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.892 121.2 53.9 -60.6 -40.9 46.9 10.9 24.3 61 61 A D H > S+ 0 0 126 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 109.7 47.2 -58.9 -45.3 44.6 8.7 26.5 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.914 110.9 51.7 -64.0 -43.9 42.1 11.6 26.7 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.926 111.0 47.8 -56.6 -46.6 42.3 12.2 22.9 64 64 A E H X S+ 0 0 86 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.840 108.2 55.9 -65.9 -33.4 41.6 8.4 22.3 65 65 A K H X S+ 0 0 138 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.952 110.6 43.2 -62.6 -51.0 38.7 8.5 24.7 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.876 112.4 55.8 -58.9 -39.7 37.0 11.3 22.8 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.937 107.0 47.6 -60.4 -49.4 37.8 9.6 19.5 68 68 A N H X S+ 0 0 90 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.911 113.3 49.1 -57.7 -44.6 36.1 6.3 20.6 69 69 A Q H X S+ 0 0 93 -4,-2.0 4,-2.9 1,-0.2 -2,-0.2 0.903 111.5 49.4 -60.6 -43.5 33.0 8.3 21.7 70 70 A D H X S+ 0 0 35 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.874 110.7 48.6 -65.6 -40.7 33.0 10.2 18.4 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.941 113.9 47.9 -63.4 -46.8 33.2 7.0 16.3 72 72 A D H X S+ 0 0 82 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.924 110.7 50.9 -57.0 -48.7 30.4 5.5 18.4 73 73 A A H X S+ 0 0 60 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.847 108.6 52.5 -59.3 -36.8 28.3 8.7 18.0 74 74 A A H X S+ 0 0 8 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.924 112.2 44.1 -66.5 -46.1 28.8 8.6 14.2 75 75 A V H X S+ 0 0 30 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.946 114.0 49.5 -61.5 -51.5 27.6 5.0 13.9 76 76 A R H X S+ 0 0 129 -4,-2.9 4,-1.2 1,-0.2 -2,-0.2 0.870 109.8 53.1 -58.7 -37.8 24.7 5.6 16.3 77 77 A G H X S+ 0 0 12 -4,-2.2 4,-0.7 -5,-0.2 -1,-0.2 0.895 108.0 49.7 -62.5 -44.2 23.7 8.7 14.2 78 78 A I H >< S+ 0 0 4 -4,-2.0 3,-1.1 1,-0.2 7,-0.5 0.939 110.3 50.5 -57.2 -48.6 23.7 6.7 11.0 79 79 A L H 3< S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.727 111.1 48.5 -68.2 -22.6 21.5 4.0 12.5 80 80 A R H 3< S+ 0 0 172 -4,-1.2 2,-0.5 -3,-0.2 -1,-0.3 0.515 93.9 90.6 -92.3 -8.8 19.0 6.6 13.8 81 81 A N S+ 0 0 14 -3,-0.3 4,-2.7 -6,-0.3 5,-0.2 0.835 100.5 68.8 -98.2 -38.4 21.3 6.6 6.0 85 85 A K H X S+ 0 0 90 -4,-2.6 4,-3.1 -7,-0.5 5,-0.2 0.887 99.0 49.7 -53.4 -49.3 20.5 3.3 7.9 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.917 114.1 45.5 -59.0 -42.4 19.2 1.4 4.8 87 87 A V H > S+ 0 0 8 -4,-0.4 4,-0.7 2,-0.2 3,-0.3 0.945 114.5 48.2 -66.5 -46.3 22.3 2.3 2.8 88 88 A Y H >< S+ 0 0 34 -4,-2.7 3,-1.3 1,-0.2 -1,-0.2 0.927 110.7 51.4 -56.7 -48.2 24.7 1.5 5.7 89 89 A D H 3< S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.806 105.9 56.7 -58.7 -31.3 22.9 -1.8 6.3 90 90 A S H 3< S+ 0 0 37 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.652 95.7 88.1 -76.4 -16.5 23.3 -2.7 2.6 91 91 A L S << S- 0 0 8 -3,-1.3 2,-0.1 -4,-0.7 31,-0.0 -0.435 77.1-117.2 -88.3 155.4 27.1 -2.3 2.7 92 92 A D > - 0 0 53 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.372 43.5 -96.4 -74.0 167.4 30.0 -4.6 3.5 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.804 122.1 53.2 -62.1 -35.1 32.2 -3.8 6.5 94 94 A V H > S+ 0 0 31 2,-0.2 4,-1.3 1,-0.2 3,-0.3 0.952 113.1 42.9 -65.7 -48.7 34.9 -2.0 4.5 95 95 A R H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.828 107.0 61.7 -68.8 -31.5 32.4 0.3 2.8 96 96 A R H X S+ 0 0 80 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.892 101.3 53.9 -55.9 -41.1 30.6 0.8 6.1 97 97 A A H X S+ 0 0 6 -4,-1.4 4,-2.7 -3,-0.3 -2,-0.2 0.909 105.4 52.2 -61.0 -42.6 33.9 2.3 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.894 109.7 50.6 -58.7 -41.0 33.9 4.8 4.5 99 99 A A H X S+ 0 0 17 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.918 110.5 47.4 -60.1 -48.9 30.4 5.7 5.5 100 100 A I H X S+ 0 0 8 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.907 108.2 57.4 -60.8 -41.9 31.4 6.3 9.1 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.930 107.7 46.5 -53.6 -51.5 34.4 8.4 7.9 102 102 A M H X S+ 0 0 10 -4,-2.0 4,-2.6 2,-0.2 5,-0.4 0.911 113.5 47.3 -58.5 -48.7 32.1 10.8 6.0 103 103 A V H X S+ 0 0 14 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.905 110.0 54.5 -61.3 -41.9 29.7 11.2 8.9 104 104 A F H < S+ 0 0 30 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.917 115.5 39.4 -54.0 -46.0 32.6 11.8 11.3 105 105 A Q H < S+ 0 0 48 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.896 134.5 14.6 -74.8 -42.9 33.9 14.6 9.0 106 106 A M H X S- 0 0 44 -4,-2.6 4,-1.0 -5,-0.1 -3,-0.2 0.530 92.4-137.6-115.7 -13.5 30.7 16.4 7.9 107 107 A G H X - 0 0 24 -4,-2.3 4,-1.1 -5,-0.4 3,-0.1 0.020 44.1 -64.9 71.6 174.0 27.9 15.2 10.3 108 108 A E H > S+ 0 0 74 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.837 136.9 55.4 -64.8 -33.1 24.4 14.2 9.2 109 109 A T H 4 S+ 0 0 125 1,-0.2 4,-0.3 2,-0.2 3,-0.3 0.844 107.6 50.8 -66.7 -34.2 23.7 17.9 8.1 110 110 A G H < S+ 0 0 33 -4,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.747 112.7 45.1 -73.1 -25.8 26.8 17.7 5.9 111 111 A V H >< S+ 0 0 11 -4,-1.1 3,-2.2 1,-0.2 -1,-0.2 0.460 82.5 97.3 -99.5 -2.9 25.7 14.5 4.2 112 112 A A G >< S+ 0 0 61 -4,-0.7 3,-0.5 1,-0.3 -1,-0.2 0.834 82.4 55.4 -52.0 -35.3 22.0 15.5 3.6 113 113 A G G 3 S+ 0 0 71 -3,-0.3 3,-0.4 -4,-0.3 -1,-0.3 0.454 84.7 84.2 -80.5 -0.1 22.9 16.5 0.1 114 114 A F G <> + 0 0 22 -3,-2.2 4,-2.8 1,-0.2 -1,-0.2 0.127 50.3 122.9 -91.8 23.6 24.4 13.0 -0.8 115 115 A T H <> S+ 0 0 61 -3,-0.5 4,-2.0 1,-0.2 -1,-0.2 0.867 75.6 44.8 -49.4 -48.6 20.9 11.5 -1.7 116 116 A N H > S+ 0 0 85 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.888 113.0 50.2 -69.5 -39.6 21.9 10.5 -5.2 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.917 109.4 53.3 -59.6 -45.9 25.3 9.1 -4.1 118 118 A L H X S+ 0 0 27 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.894 107.5 50.5 -57.6 -45.8 23.5 7.1 -1.4 119 119 A R H X S+ 0 0 125 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.938 111.0 48.3 -56.5 -49.9 21.1 5.6 -4.0 120 120 A M H <>S+ 0 0 43 -4,-2.1 5,-2.7 1,-0.2 4,-0.3 0.855 111.0 50.9 -62.8 -37.1 24.0 4.5 -6.3 121 121 A L H ><5S+ 0 0 6 -4,-2.3 3,-0.9 2,-0.2 -1,-0.2 0.903 109.8 49.1 -66.0 -42.8 25.8 3.0 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.855 110.8 51.1 -64.7 -33.6 22.7 1.0 -2.3 123 123 A Q T 3<5S- 0 0 91 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.565 111.9-127.4 -74.3 -10.3 22.5 -0.1 -5.9 124 124 A K T < 5 + 0 0 96 -3,-0.9 2,-1.3 -4,-0.3 -3,-0.2 0.828 58.3 149.1 60.7 35.5 26.1 -1.2 -5.7 125 125 A R >< + 0 0 122 -5,-2.7 4,-3.0 1,-0.2 5,-0.2 -0.685 21.4 176.1 -93.5 78.6 27.0 0.9 -8.8 126 126 A W H > + 0 0 52 -2,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.853 68.5 44.2 -64.7 -44.8 30.4 1.5 -7.5 127 127 A D H > S+ 0 0 111 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.927 117.5 46.3 -66.5 -43.1 32.1 3.4 -10.4 128 128 A E H > S+ 0 0 104 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.904 112.6 50.5 -63.8 -43.9 29.0 5.7 -10.9 129 129 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 -9,-0.2 -2,-0.2 0.919 109.7 51.4 -57.5 -45.8 28.7 6.2 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.897 110.3 48.3 -59.7 -44.4 32.4 7.2 -7.0 131 131 A V H X S+ 0 0 86 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.925 113.7 47.7 -60.5 -46.0 31.9 9.7 -9.9 132 132 A N H >< S+ 0 0 37 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.879 106.3 56.5 -65.1 -40.7 28.9 11.2 -8.1 133 133 A L H 3< S+ 0 0 2 -4,-2.7 6,-0.4 1,-0.2 -1,-0.2 0.835 102.2 57.0 -59.2 -35.6 30.6 11.5 -4.7 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-1.7 -3,-0.3 -1,-0.2 0.639 85.6 82.0 -73.7 -16.7 33.4 13.6 -6.2 135 135 A K S << S+ 0 0 158 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.523 81.7 97.9 -84.9 67.2 30.9 16.2 -7.5 136 136 A S S > S- 0 0 17 -2,-1.7 4,-2.1 1,-0.1 5,-0.1 -0.986 85.9-117.5-153.6 153.6 30.8 17.8 -4.1 137 137 A R H > S+ 0 0 147 -2,-0.3 4,-2.9 2,-0.2 5,-0.3 0.922 116.5 61.7 -56.0 -43.3 32.1 20.7 -1.9 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.919 106.0 42.1 -48.2 -55.6 33.5 17.8 0.2 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.928 115.6 50.1 -61.0 -46.8 35.7 16.5 -2.6 140 140 A N H < S+ 0 0 113 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.871 116.2 40.3 -62.4 -38.2 36.8 20.0 -3.8 141 141 A Q H < S+ 0 0 112 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.870 133.1 21.4 -82.2 -37.8 37.8 21.2 -0.3 142 142 A T S X S+ 0 0 19 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.594 74.1 158.7-127.0 70.1 39.5 18.0 0.9 143 143 A P H > S+ 0 0 48 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.892 70.2 51.4 -66.0 -41.9 40.4 16.2 -2.3 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.934 116.6 40.2 -63.2 -45.6 43.1 13.9 -1.0 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 115.6 51.5 -64.7 -46.2 41.0 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 1,-0.2 5,-0.2 0.917 107.0 54.8 -57.1 -43.7 37.9 12.4 -0.3 147 147 A K H X S+ 0 0 99 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.892 109.1 47.4 -56.4 -43.7 39.9 10.4 -2.9 148 148 A R H X S+ 0 0 56 -4,-1.6 4,-1.8 2,-0.2 12,-0.2 0.929 114.6 45.3 -62.6 -47.3 40.8 7.8 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.914 114.4 49.2 -64.5 -42.9 37.2 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-3.4 4,-2.8 2,-0.2 -2,-0.2 0.908 108.3 52.5 -63.6 -44.2 35.9 7.3 -2.5 151 151 A T H X S+ 0 0 39 -4,-2.5 4,-2.7 -5,-0.2 6,-0.4 0.890 107.8 53.5 -57.2 -39.7 38.4 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.922 112.2 43.3 -62.1 -44.7 37.2 2.7 -0.4 153 153 A F H < S+ 0 0 4 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.847 115.8 49.7 -66.3 -36.9 33.6 2.9 -1.7 154 154 A R H < S+ 0 0 105 -4,-2.8 -2,-0.2 -5,-0.1 -1,-0.2 0.926 126.6 21.0 -68.7 -44.3 34.7 2.1 -5.2 155 155 A T H < S- 0 0 41 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.680 85.4-134.5-101.1 -26.6 36.8 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.2 -5,-0.4 -62,-0.2 0.754 73.3 109.2 66.5 24.5 35.6 -2.3 -1.1 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.764 79.1-123.8-120.7 170.2 39.3 -2.6 -0.2 158 158 A W S >> S+ 0 0 51 -2,-0.2 4,-2.5 1,-0.2 3,-2.1 0.110 71.3 121.9 -96.2 19.2 41.8 -0.8 2.1 159 159 A D T 34 + 0 0 115 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.795 68.2 57.0 -55.7 -32.6 44.1 -0.0 -0.9 160 160 A A T 34 S+ 0 0 24 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.618 122.2 26.0 -75.3 -11.1 43.9 3.7 -0.4 161 161 A Y T X4 S+ 0 0 0 -3,-2.1 3,-2.5 -13,-0.1 -2,-0.2 0.577 94.2 88.1-122.4 -24.8 45.2 3.4 3.3 162 162 A K T 3< S+ 0 0 163 -4,-2.5 -3,-0.1 1,-0.3 -2,-0.1 0.760 93.5 50.0 -57.1 -27.0 47.2 0.2 3.5 163 163 A N T 3 0 0 151 -4,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.479 360.0 360.0 -86.8 -6.3 50.3 2.1 2.5 164 164 A L < 0 0 110 -3,-2.5 -1,-0.2 0, 0.0 -2,-0.2 0.375 360.0 360.0-108.0 360.0 49.8 4.9 5.1