==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-JUL-99 1QUG . COMPND 2 MOLECULE: PROTEIN (LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.WRAY,W.A.BAASE,J.D.LINDSTROM,A.R.POTEETE,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8718.0 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 2 0 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 79 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 151.4 43.4 -1.9 9.1 2 2 A N > - 0 0 67 95,-0.0 4,-3.0 92,-0.0 5,-0.3 -0.933 360.0 -87.8-158.1 172.9 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 23 -2,-0.3 4,-2.9 1,-0.3 5,-0.3 0.844 123.0 54.4 -60.1 -39.5 38.2 2.4 11.2 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.939 113.5 40.6 -61.6 -49.2 40.2 3.6 14.2 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.921 115.0 53.3 -63.0 -41.9 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-3.0 4,-2.6 1,-0.2 3,-0.2 0.950 113.0 41.4 -57.0 -59.0 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.1 -5,-0.3 5,-0.5 0.876 107.7 61.6 -61.3 -33.6 40.6 7.7 10.8 8 8 A R H X S+ 0 0 99 -4,-2.2 4,-1.2 -5,-0.3 -1,-0.2 0.889 108.2 46.2 -62.6 -26.2 43.8 8.2 12.9 9 9 A I H < S+ 0 0 89 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.939 114.0 45.7 -78.6 -46.0 45.6 8.6 9.6 10 10 A D H < S+ 0 0 18 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.771 124.1 31.4 -68.0 -27.4 43.1 11.0 8.0 11 11 A E H < S- 0 0 46 -4,-2.1 19,-0.4 -5,-0.2 -1,-0.2 0.630 93.2-149.1-105.3 -19.5 42.7 13.2 11.0 12 12 A G < - 0 0 24 -4,-1.2 2,-0.3 -5,-0.5 -1,-0.2 -0.307 21.2 -90.5 79.0-175.3 46.0 13.1 12.8 13 13 A L + 0 0 33 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.957 43.2 170.1-141.1 124.5 46.6 13.5 16.6 14 14 A R E -A 28 0A 139 14,-1.4 14,-2.8 -2,-0.3 4,-0.1 -0.981 22.2-160.9-143.4 129.7 47.2 16.9 18.3 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.414 73.1 59.9 -90.0 -1.2 47.2 17.7 22.0 16 16 A K E S-C 57 0B 96 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.899 100.2 -83.9-123.0 149.9 46.7 21.4 22.0 17 17 A I E + 0 0 17 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.248 59.6 169.2 -52.1 142.9 43.8 23.2 20.6 18 18 A Y E -A 26 0A 30 8,-3.2 8,-2.9 -4,-0.1 2,-0.5 -0.908 34.2-100.1-146.4 179.1 44.1 23.8 16.9 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.852 31.9-142.0-109.0 135.6 42.2 24.9 13.8 20 20 A D > - 0 0 50 4,-2.6 3,-2.5 -2,-0.5 -1,-0.0 -0.101 41.4 -82.1 -80.9-168.5 40.8 22.5 11.3 21 21 A T T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.735 135.0 51.2 -67.4 -19.5 40.7 22.8 7.6 22 22 A E T 3 S- 0 0 73 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.433 122.5-107.2 -92.9 1.0 37.7 24.9 8.0 23 23 A G S < S+ 0 0 37 -3,-2.5 2,-0.3 1,-0.3 -2,-0.1 0.476 74.4 141.5 83.1 11.3 39.4 27.2 10.6 24 24 A Y - 0 0 74 1,-0.1 -4,-2.6 -5,-0.0 2,-0.3 -0.645 60.7 -98.6 -90.3 148.2 37.4 25.7 13.4 25 25 A Y E +AB 19 34A 33 9,-0.6 8,-2.8 11,-0.4 9,-1.7 -0.410 55.9 153.9 -69.5 122.0 38.6 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-2.9 -8,-3.2 -2,-0.3 2,-0.3 -0.880 19.8-169.3-134.4 169.2 39.4 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-1.9 -2,-0.3 2,-0.2 -0.952 52.4 4.3-157.2 166.0 41.7 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.8 -14,-1.4 -2,-0.3 2,-0.8 -0.400 124.1 -4.3 66.1-125.9 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.716 127.5 -53.8-106.2 81.0 41.8 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.8 2,-1.1 -19,-0.4 -2,-0.2 0.735 83.6 163.0 59.4 27.1 39.6 15.5 14.7 31 31 A H E < -B 27 0A 32 -4,-1.9 -4,-1.8 1,-0.0 2,-0.3 -0.609 31.5-142.7 -81.8 111.6 37.5 16.2 17.7 32 32 A L E +B 26 0A 76 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.425 22.0 179.2 -67.8 125.2 35.5 19.4 16.8 33 33 A L E - 0 0 15 -8,-2.8 2,-0.3 1,-0.3 -7,-0.2 0.916 56.4 -26.0 -95.5 -46.0 35.1 21.7 19.7 34 34 A T E -B 25 0A 29 -9,-1.7 -9,-0.6 2,-0.1 -1,-0.3 -0.968 33.1-139.9-162.8 154.5 33.2 24.7 18.4 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.421 72.6 114.0 -97.5 -0.7 32.5 26.7 15.3 36 36 A S S S- 0 0 39 1,-0.2 -11,-0.4 2,-0.1 6,-0.1 -0.463 70.6-137.2 -70.2 140.8 32.7 29.8 17.3 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.8 0, 0.0 -1,-0.2 0.428 75.5 105.6 -76.9 0.5 35.6 31.9 16.4 38 38 A S > - 0 0 45 1,-0.2 4,-2.2 2,-0.1 3,-0.3 -0.752 58.2-159.3 -94.2 118.0 36.2 32.4 20.0 39 39 A L H > S+ 0 0 73 -2,-0.8 4,-2.4 1,-0.2 5,-0.2 0.790 94.9 53.7 -57.5 -29.9 39.1 30.6 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.885 104.4 55.1 -77.4 -27.8 37.7 31.0 25.1 41 41 A A H > S+ 0 0 32 -3,-0.3 4,-3.0 1,-0.2 5,-0.2 0.970 109.6 49.0 -62.5 -47.3 34.5 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.894 109.4 49.3 -54.7 -48.4 36.7 26.6 22.7 43 43 A K H X S+ 0 0 60 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.917 110.5 53.3 -62.7 -34.3 38.5 26.2 25.9 44 44 A S H X S+ 0 0 72 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.976 109.2 46.1 -66.2 -49.4 35.2 26.2 27.6 45 45 A E H X S+ 0 0 70 -4,-3.0 4,-1.9 1,-0.2 -1,-0.2 0.915 112.2 55.2 -60.2 -35.0 33.8 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.965 106.2 45.9 -64.3 -50.8 37.0 21.5 26.1 47 47 A D H X>S+ 0 0 31 -4,-2.6 4,-1.9 1,-0.3 5,-1.3 0.880 113.1 53.1 -61.4 -34.1 37.1 21.5 29.8 48 48 A K H <5S+ 0 0 141 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.831 109.4 47.7 -64.1 -39.8 33.5 20.5 29.8 49 49 A A H <5S+ 0 0 45 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.863 119.0 40.0 -71.4 -32.9 34.3 17.6 27.5 50 50 A I H <5S- 0 0 31 -4,-2.2 -2,-0.2 2,-0.3 -1,-0.2 0.634 102.9-122.4 -92.3 -21.4 37.1 16.5 29.6 51 51 A G T <5S+ 0 0 68 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.696 78.9 67.0 87.5 12.5 35.9 17.0 32.9 52 52 A R S - 0 0 8 -2,-0.9 3,-1.0 -11,-0.2 -1,-0.2 0.702 34.1-143.2 -94.2 -28.4 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 113 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.894 74.6 -57.5 63.9 33.0 44.0 25.2 29.8 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-1.4 -13,-0.2 2,-0.4 0.618 116.5 101.2 73.5 15.2 43.8 24.0 26.1 57 57 A V B < +C 16 0B 63 -3,-1.0 2,-0.3 -41,-0.2 -41,-0.2 -0.979 44.4 179.0-133.5 142.4 46.0 21.0 26.5 58 58 A I - 0 0 5 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.914 24.9-113.2-136.3 164.6 45.2 17.3 26.9 59 59 A T > - 0 0 61 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.535 33.3-107.3 -89.8 171.1 46.9 14.0 27.3 60 60 A K H > S+ 0 0 111 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 120.3 51.7 -59.4 -50.7 47.0 11.2 24.8 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.957 108.1 53.4 -52.0 -52.2 44.7 9.1 26.8 62 62 A E H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.936 108.8 48.2 -48.9 -53.0 42.3 11.9 27.0 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.3 -34,-0.4 0.893 109.2 54.5 -60.0 -37.1 42.3 12.3 23.2 64 64 A E H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 -1,-0.3 0.799 105.1 52.4 -67.6 -30.2 41.8 8.7 22.8 65 65 A K H X S+ 0 0 142 -4,-2.1 4,-2.5 -3,-0.4 5,-0.2 0.931 108.6 50.1 -73.9 -41.6 38.8 8.8 25.0 66 66 A L H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 -2,-0.2 0.903 110.9 51.2 -55.5 -40.7 37.3 11.5 22.9 67 67 A F H X S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 5,-0.4 0.908 106.7 51.8 -67.6 -43.9 38.0 9.5 19.8 68 68 A N H X S+ 0 0 91 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.962 111.1 48.1 -57.9 -43.1 36.3 6.5 21.1 69 69 A Q H X S+ 0 0 98 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.950 111.5 51.5 -62.4 -44.9 33.3 8.4 22.0 70 70 A D H X S+ 0 0 39 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.823 109.1 47.2 -64.8 -34.7 33.3 10.0 18.6 71 71 A V H X S+ 0 0 9 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.937 113.5 51.3 -69.6 -41.1 33.5 6.7 16.6 72 72 A D H X S+ 0 0 82 -4,-2.6 4,-2.8 -5,-0.4 5,-0.3 0.958 109.7 48.2 -55.9 -47.5 30.8 5.3 18.7 73 73 A A H X S+ 0 0 52 -4,-2.6 4,-3.0 -5,-0.3 5,-0.3 0.902 108.5 54.6 -63.1 -35.7 28.6 8.2 18.1 74 74 A A H X S+ 0 0 10 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.958 108.5 47.4 -67.3 -37.5 29.2 8.2 14.5 75 75 A V H X S+ 0 0 33 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.975 115.0 46.1 -61.4 -51.3 28.1 4.5 14.1 76 76 A R H X S+ 0 0 118 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.923 108.2 55.8 -58.0 -43.2 25.1 5.1 16.1 77 77 A G H < S+ 0 0 10 -4,-3.0 4,-0.5 -5,-0.3 3,-0.3 0.947 108.5 50.5 -51.4 -47.5 24.2 8.2 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.3 -1,-0.2 0.937 109.8 48.3 -56.7 -50.6 24.3 6.2 11.1 79 79 A L H 3< S+ 0 0 68 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.736 108.4 54.3 -68.3 -22.6 22.1 3.5 12.5 80 80 A R T 3< S+ 0 0 204 -4,-2.0 2,-0.5 -3,-0.3 -1,-0.3 0.411 91.9 92.3 -88.0 1.8 19.6 6.0 13.7 81 81 A N <> - 0 0 39 -3,-1.4 4,-3.1 -4,-0.5 3,-0.0 -0.838 65.4-149.1-106.2 131.5 19.2 7.6 10.3 82 82 A A T 4 S+ 0 0 73 -2,-0.5 -1,-0.1 1,-0.3 -4,-0.0 0.728 97.6 43.0 -65.5 -26.4 16.6 6.5 7.8 83 83 A K T 4 S+ 0 0 133 2,-0.1 4,-0.5 1,-0.1 -1,-0.3 0.767 120.3 40.5 -88.1 -29.5 18.6 7.4 4.8 84 84 A L T > S+ 0 0 0 -6,-0.2 4,-2.9 2,-0.2 5,-0.3 0.823 98.7 67.2 -90.3 -32.2 21.8 6.0 6.0 85 85 A K H X S+ 0 0 88 -4,-3.1 4,-3.1 1,-0.3 5,-0.3 0.971 99.6 52.5 -57.7 -42.7 21.1 2.8 7.8 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.887 109.6 49.5 -60.8 -34.7 20.0 1.1 4.8 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.9 1,-0.2 -2,-0.2 0.963 111.0 48.5 -68.6 -47.0 23.1 2.0 3.0 88 88 A Y H >< S+ 0 0 30 -4,-2.9 3,-0.7 1,-0.3 -1,-0.2 0.868 108.1 54.9 -55.0 -39.7 25.3 0.8 5.8 89 89 A D H 3< S+ 0 0 72 -4,-3.1 -1,-0.3 -5,-0.3 -2,-0.2 0.901 104.6 54.9 -69.6 -33.2 23.4 -2.4 6.0 90 90 A S H 3< S+ 0 0 39 -4,-1.8 -1,-0.3 -5,-0.3 2,-0.2 0.637 95.6 88.1 -73.4 -15.4 24.0 -3.2 2.4 91 91 A L S << S- 0 0 6 -4,-0.9 31,-0.0 -3,-0.7 2,-0.0 -0.603 74.0-116.2 -90.3 161.7 27.7 -2.8 2.5 92 92 A D > - 0 0 53 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.148 44.9 -94.3 -72.4 164.4 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.887 119.9 48.2 -58.8 -43.4 32.9 -4.3 6.2 94 94 A V H >> S+ 0 0 25 1,-0.2 4,-1.6 62,-0.2 3,-0.5 0.968 113.0 47.9 -63.5 -46.8 35.5 -2.2 4.5 95 95 A R H 3> S+ 0 0 22 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.864 104.1 62.1 -64.0 -28.2 33.1 -0.1 2.7 96 96 A R H 3X S+ 0 0 77 -4,-2.2 4,-2.8 1,-0.2 -1,-0.3 0.913 102.0 53.2 -61.4 -32.9 31.2 0.4 6.0 97 97 A A H S+ 0 0 36 1,-0.2 4,-4.4 2,-0.2 5,-0.4 0.964 127.9 50.1 -51.0 -60.0 25.1 12.6 9.5 109 109 A T H > S+ 0 0 120 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.901 111.3 49.0 -50.6 -47.2 23.1 15.3 8.0 110 110 A G H < S+ 0 0 33 -4,-0.7 3,-0.5 1,-0.2 4,-0.4 0.931 117.2 40.4 -63.5 -49.2 25.9 16.2 5.6 111 111 A V H >< S+ 0 0 1 -4,-3.4 3,-1.8 1,-0.2 -2,-0.2 0.913 107.8 61.2 -68.8 -36.6 26.4 12.6 4.5 112 112 A A H 3< S+ 0 0 19 -4,-4.4 -1,-0.2 -5,-0.3 -2,-0.2 0.804 95.6 69.5 -56.7 -18.0 22.7 12.0 4.4 113 113 A G T 3< S+ 0 0 49 -4,-0.8 2,-2.8 -3,-0.5 3,-0.3 0.814 72.0 84.5 -71.3 -30.5 22.7 14.7 1.9 114 114 A F <> + 0 0 45 -3,-1.8 4,-2.6 -4,-0.4 5,-0.3 -0.261 55.2 162.7 -71.4 57.9 24.5 12.8 -0.9 115 115 A T H > + 0 0 86 -2,-2.8 4,-2.3 1,-0.3 -1,-0.2 0.894 66.9 46.0 -45.8 -58.1 21.4 11.2 -2.2 116 116 A N H > S+ 0 0 81 -3,-0.3 4,-2.3 1,-0.2 -1,-0.3 0.914 114.5 47.2 -57.5 -44.1 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.8 2,-0.2 5,-0.2 0.877 108.4 56.2 -65.3 -35.4 25.7 8.7 -4.4 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-3.3 2,-0.2 -1,-0.2 0.937 107.7 49.4 -62.2 -40.6 24.0 6.9 -1.6 119 119 A R H X S+ 0 0 115 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 0.954 110.3 49.3 -62.5 -42.9 21.8 5.3 -4.1 120 120 A M H <>S+ 0 0 33 -4,-2.3 5,-2.2 1,-0.3 4,-0.4 0.880 109.9 51.2 -64.4 -40.3 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.8 3,-2.1 1,-0.2 -1,-0.3 0.931 107.7 54.2 -60.3 -44.8 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-3.3 -2,-0.2 1,-0.3 -1,-0.2 0.916 107.5 49.5 -57.3 -34.7 23.3 0.9 -2.5 123 123 A Q T 3<5S- 0 0 84 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.559 110.5-121.8 -79.7 -6.8 23.2 -0.5 -5.9 124 124 A K T < 5 + 0 0 100 -3,-2.1 2,-1.5 -4,-0.4 -3,-0.2 0.729 62.4 146.7 70.3 26.2 26.8 -1.6 -5.7 125 125 A R >< + 0 0 112 -5,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.606 22.5 175.8 -86.8 74.6 27.6 0.5 -8.8 126 126 A W H > + 0 0 52 -2,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.899 67.8 45.1 -58.8 -48.5 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 116 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.881 114.2 51.1 -65.0 -34.5 32.6 3.3 -10.3 128 128 A E H > S+ 0 0 114 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.936 109.7 49.0 -66.9 -39.5 29.6 5.3 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-3.5 1,-0.2 5,-0.3 0.919 106.4 57.3 -64.3 -38.2 29.4 6.2 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.881 108.9 45.2 -61.0 -41.0 33.0 7.2 -7.1 131 131 A V H >X S+ 0 0 95 -4,-1.8 4,-1.0 2,-0.2 3,-0.7 0.959 113.0 49.1 -66.7 -54.2 32.5 9.7 -9.8 132 132 A N H >< S+ 0 0 32 -4,-2.5 3,-0.9 1,-0.3 -2,-0.2 0.920 108.6 54.4 -53.1 -39.7 29.4 11.1 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.5 6,-0.3 -5,-0.3 -1,-0.3 0.880 100.7 60.6 -66.1 -25.0 31.0 11.4 -5.0 134 134 A A H << S+ 0 0 27 -4,-1.1 2,-1.9 -3,-0.7 -1,-0.2 0.778 84.8 81.1 -73.9 -18.2 33.9 13.4 -6.6 135 135 A K S << S+ 0 0 160 -4,-1.0 2,-0.3 -3,-0.9 -1,-0.2 -0.444 80.4 94.3 -84.9 68.8 31.4 16.1 -7.7 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.5 1,-0.1 5,-0.2 -0.998 84.6-114.0-157.9 157.1 31.3 17.8 -4.3 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-4.1 1,-0.2 5,-0.4 0.893 113.8 62.6 -58.2 -37.9 32.7 20.5 -2.3 138 138 A W H > S+ 0 0 11 1,-0.2 4,-3.1 2,-0.2 8,-0.3 0.934 106.3 44.1 -50.4 -49.0 34.2 17.9 0.0 139 139 A Y H 4 S+ 0 0 59 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.921 115.0 48.9 -65.9 -44.0 36.2 16.6 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 117.4 39.9 -67.9 -31.8 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 107 -4,-4.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 130.3 23.5 -85.8 -35.6 38.2 21.2 -0.4 142 142 A T S X S+ 0 0 20 -4,-3.1 4,-2.9 -5,-0.4 5,-0.2 -0.530 72.4 160.9-130.6 72.1 39.9 18.1 0.9 143 143 A P H > + 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.857 67.5 51.1 -61.1 -46.1 41.0 16.2 -2.1 144 144 A N H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.952 117.4 41.4 -63.7 -42.5 43.7 13.8 -0.7 145 145 A R H >> S+ 0 0 23 2,-0.2 4,-2.3 1,-0.2 3,-0.5 0.967 114.9 49.7 -64.9 -53.6 41.5 12.6 2.0 146 146 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 5,-0.3 0.926 109.0 54.9 -57.2 -32.5 38.4 12.4 -0.2 147 147 A K H 3X S+ 0 0 98 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.3 0.900 105.7 51.6 -66.5 -36.2 40.4 10.5 -2.7 148 148 A R H S+ 0 0 57 -2,-0.3 3,-1.8 1,-0.2 4,-0.4 0.161 71.0 121.2 -95.3 17.4 42.3 -0.8 2.1 159 159 A D G > + 0 0 115 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.884 66.4 60.8 -55.2 -28.1 44.9 -0.1 -0.7 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.739 108.7 42.9 -68.6 -22.3 44.6 3.7 -0.4 161 161 A Y G < 0 0 16 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.423 360.0 360.0-104.3 5.1 45.7 3.5 3.1 162 162 A K < 0 0 217 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.1 -0.201 360.0 360.0 44.0 360.0 48.3 1.1 1.9