==== 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) 28-MAY-93 131L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR P.PJURA,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8685.0 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 . 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 . 9 5.6 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 59 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.6 43.4 -1.8 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.919 360.0 -82.9-152.1 179.2 40.2 -0.8 10.7 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.815 124.2 51.2 -58.6 -36.6 38.1 2.3 11.2 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 113.4 42.6 -68.9 -47.8 40.2 3.6 14.1 5 5 A E H > S+ 0 0 94 2,-0.2 4,-1.4 1,-0.2 -2,-0.2 0.840 114.0 54.1 -65.5 -36.1 43.4 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 3,-0.3 0.951 111.9 41.5 -63.1 -53.2 41.8 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.4 0.863 109.1 60.9 -64.6 -31.9 40.5 7.8 10.9 8 8 A R H X S+ 0 0 91 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.883 107.7 44.5 -63.4 -33.9 43.7 8.2 12.8 9 9 A I H < S+ 0 0 87 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.915 116.6 46.4 -74.4 -40.7 45.6 8.5 9.5 10 10 A D H < S+ 0 0 19 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.823 125.0 28.7 -71.1 -34.1 43.0 10.9 8.1 11 11 A E H < S- 0 0 50 -4,-2.8 19,-0.4 -5,-0.2 -3,-0.2 0.722 89.4-156.0 -98.3 -29.3 42.7 13.2 11.1 12 12 A G < - 0 0 22 -4,-1.6 2,-0.3 -5,-0.4 -1,-0.1 -0.242 25.7 -86.5 75.0-167.5 46.1 13.0 12.8 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.960 40.6 174.3-143.3 125.6 46.6 13.7 16.5 14 14 A R E -A 28 0A 146 14,-1.3 14,-1.9 -2,-0.3 4,-0.1 -0.998 17.7-160.5-131.3 133.6 47.1 17.1 18.1 15 15 A L E S+ 0 0 60 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.454 74.1 58.9 -93.5 -3.9 47.3 17.7 21.9 16 16 A K E S-C 57 0B 124 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.895 102.9 -81.4-122.6 155.4 46.6 21.4 21.9 17 17 A I E + 0 0 29 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.265 58.7 176.7 -49.7 135.1 43.7 23.2 20.5 18 18 A Y E -A 26 0A 23 8,-2.5 8,-2.7 -4,-0.1 2,-0.5 -0.918 34.1-108.5-139.6 162.0 44.1 23.7 16.7 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.802 38.5-139.8 -91.1 132.0 42.2 25.2 13.8 20 20 A D > - 0 0 47 4,-3.8 3,-1.9 -2,-0.5 -1,-0.1 -0.094 37.7 -78.1 -78.5-168.2 40.8 22.5 11.5 21 21 A T T 3 S+ 0 0 115 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.770 136.6 45.8 -59.5 -27.7 40.7 22.5 7.7 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.373 124.4-105.6 -94.2 -0.5 37.6 24.8 7.9 23 23 A G S < S+ 0 0 36 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.643 74.7 138.6 80.5 22.9 39.3 27.0 10.5 24 24 A Y - 0 0 75 1,-0.1 -4,-3.8 13,-0.0 -1,-0.3 -0.815 60.7 -97.4-102.9 155.3 37.3 25.7 13.4 25 25 A Y E +AB 19 34A 32 9,-0.8 8,-2.8 -2,-0.4 9,-1.4 -0.325 56.1 153.1 -65.6 126.1 38.6 25.0 16.8 26 26 A S E -AB 18 32A 2 -8,-2.7 -8,-2.5 6,-0.3 2,-0.3 -0.899 23.3-158.7-144.2 175.2 39.3 21.3 17.4 27 27 A I E > - B 0 31A 0 4,-2.0 4,-2.2 -2,-0.3 -12,-0.2 -0.990 51.6 -1.4-155.4 164.6 41.4 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-1.9 -14,-1.3 -2,-0.3 2,-1.1 -0.344 120.8 -2.3 63.3-126.3 42.8 15.5 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.646 129.1 -52.6-103.4 74.6 41.8 13.2 16.6 30 30 A G T 4 S+ 0 0 18 -2,-1.1 2,-0.9 -19,-0.4 -2,-0.2 0.806 84.8 159.9 67.9 31.4 39.5 15.4 14.6 31 31 A H E < -B 27 0A 34 -4,-2.2 -4,-2.0 1,-0.0 2,-0.2 -0.725 32.8-142.5 -90.0 109.8 37.3 16.3 17.6 32 32 A L E +B 26 0A 70 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.448 21.8 178.2 -69.5 133.1 35.4 19.6 16.8 33 33 A L E - 0 0 16 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.914 58.1 -17.9 -95.9 -54.2 35.0 21.8 19.7 34 34 A T E -B 25 0A 26 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.4 -0.992 32.8-147.9-157.3 148.8 33.3 24.8 18.4 35 35 A K S S+ 0 0 146 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.524 72.9 105.4 -93.3 -11.1 32.4 26.7 15.3 36 36 A S S S- 0 0 39 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.467 77.1-127.2 -72.8 144.2 32.5 30.0 17.1 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.236 77.2 104.1 -82.1 18.9 35.5 32.1 16.4 38 38 A S > - 0 0 48 1,-0.1 4,-1.8 -13,-0.0 3,-0.2 -0.896 57.5-157.3-116.1 117.8 36.3 32.5 20.0 39 39 A L H > S+ 0 0 72 -2,-0.6 4,-2.7 1,-0.3 5,-0.1 0.773 99.1 54.1 -62.2 -28.2 39.2 30.6 21.7 40 40 A N H > S+ 0 0 115 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.907 103.4 53.3 -76.0 -38.1 37.6 31.0 25.0 41 41 A A H > S+ 0 0 34 1,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.916 112.3 50.0 -61.0 -31.9 34.5 29.5 23.7 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 -2,-0.2 0.896 107.9 49.0 -67.4 -48.5 36.8 26.7 22.6 43 43 A K H X S+ 0 0 56 -4,-2.7 4,-2.9 2,-0.2 11,-0.2 0.912 110.3 53.4 -60.7 -37.7 38.5 26.3 25.9 44 44 A S H X S+ 0 0 70 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.898 110.4 44.9 -61.8 -47.2 35.2 26.2 27.6 45 45 A E H X S+ 0 0 65 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.901 112.1 55.3 -65.6 -39.4 33.9 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 5,-0.3 0.939 109.2 43.8 -60.2 -51.1 37.2 21.7 25.9 47 47 A D H X>S+ 0 0 29 -4,-2.9 4,-2.0 1,-0.2 5,-1.1 0.883 112.6 53.8 -64.0 -35.8 37.0 21.7 29.7 48 48 A K H <5S+ 0 0 137 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.904 110.3 46.2 -61.8 -40.8 33.4 20.6 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.846 120.2 38.0 -73.1 -32.7 34.2 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.684 102.5-129.1 -90.3 -25.7 37.2 16.4 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.0 2,-0.3 -5,-0.3 -3,-0.2 0.843 76.0 73.9 76.2 37.0 35.7 17.3 32.8 52 52 A R S - 0 0 10 -2,-1.0 3,-1.3 -11,-0.2 -1,-0.2 0.695 31.0-145.9 -87.7 -28.2 42.6 21.8 30.7 55 55 A N T 3 S- 0 0 125 1,-0.2 -2,-0.1 -3,-0.1 3,-0.1 0.852 72.4 -54.9 59.3 37.3 43.8 25.1 29.7 56 56 A G T 3 S+ 0 0 8 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.431 118.7 97.3 81.5 1.8 43.8 24.0 26.0 57 57 A V B < +C 16 0B 60 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.989 45.5 178.2-130.8 134.0 46.0 21.0 26.4 58 58 A I - 0 0 6 -43,-1.9 2,-0.1 -2,-0.4 -30,-0.1 -0.785 27.5-108.9-126.1 168.0 45.0 17.3 26.8 59 59 A T > - 0 0 64 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.485 33.2-104.8 -93.0 173.9 46.8 14.1 27.2 60 60 A K H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.911 122.8 52.7 -57.0 -44.9 47.1 11.2 24.6 61 61 A D H > S+ 0 0 117 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 107.0 49.8 -56.2 -50.3 44.6 9.3 26.7 62 62 A E H > S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 110.7 51.3 -58.3 -45.4 42.1 12.0 26.8 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -34,-0.4 0.908 109.8 48.9 -61.5 -42.8 42.3 12.4 23.1 64 64 A E H X S+ 0 0 78 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.867 108.1 54.8 -68.1 -29.8 41.8 8.7 22.6 65 65 A K H X S+ 0 0 135 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.948 108.2 46.7 -67.3 -42.5 38.9 8.8 24.8 66 66 A L H X S+ 0 0 6 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.895 111.8 54.4 -61.8 -39.6 37.2 11.5 22.8 67 67 A F H X S+ 0 0 15 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.946 106.1 49.3 -58.0 -51.0 38.0 9.5 19.7 68 68 A N H X S+ 0 0 87 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.920 112.8 48.9 -55.6 -43.9 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.1 4,-2.4 -5,-0.2 -1,-0.2 0.917 111.3 50.5 -61.4 -42.9 33.2 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.873 109.9 47.2 -67.6 -37.3 33.2 10.0 18.5 71 71 A V H X S+ 0 0 5 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.939 112.6 50.9 -67.7 -42.5 33.5 6.8 16.6 72 72 A D H X S+ 0 0 93 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.937 110.3 49.6 -57.8 -47.9 30.7 5.2 18.7 73 73 A A H X S+ 0 0 57 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.874 108.9 52.3 -60.1 -41.1 28.5 8.2 18.1 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.968 110.6 46.8 -62.8 -48.9 29.1 8.1 14.3 75 75 A V H X S+ 0 0 35 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.902 114.5 47.4 -57.3 -44.0 28.1 4.5 14.0 76 76 A R H X S+ 0 0 139 -4,-2.4 4,-1.6 -5,-0.2 -1,-0.2 0.866 109.4 53.1 -70.8 -31.9 25.1 5.0 16.2 77 77 A G H X S+ 0 0 14 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.902 108.5 50.4 -68.5 -38.5 24.0 8.0 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-0.9 -5,-0.2 7,-0.5 0.953 111.4 49.2 -61.2 -43.5 24.2 6.0 11.0 79 79 A L H 3< S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 112.4 48.2 -67.4 -26.3 22.1 3.3 12.6 80 80 A R H 3< S+ 0 0 210 -4,-1.6 2,-0.6 -5,-0.1 -1,-0.3 0.541 92.3 92.7 -85.8 -19.6 19.6 5.8 13.7 81 81 A N S+ 0 0 0 -3,-0.4 4,-2.6 -6,-0.2 3,-0.4 0.850 101.0 65.8 -88.7 -41.1 21.9 6.0 6.2 85 85 A K H X S+ 0 0 83 -4,-2.8 4,-3.0 -7,-0.5 5,-0.2 0.901 99.6 51.2 -48.5 -50.9 21.1 2.8 7.9 86 86 A P H > S+ 0 0 52 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.865 111.2 49.6 -62.7 -30.7 19.9 1.0 4.8 87 87 A V H > S+ 0 0 1 -4,-0.4 4,-1.0 -3,-0.4 3,-0.3 0.937 112.2 47.3 -69.8 -46.1 23.0 1.9 3.0 88 88 A Y H >< S+ 0 0 34 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.933 109.0 53.9 -59.8 -45.1 25.2 0.7 5.8 89 89 A D H 3< S+ 0 0 78 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.840 106.6 53.3 -62.5 -30.6 23.4 -2.5 6.1 90 90 A S H 3< S+ 0 0 41 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.690 97.0 85.7 -76.9 -21.2 23.9 -3.2 2.4 91 91 A L S << S- 0 0 6 -4,-1.0 2,-0.1 -3,-0.9 31,-0.0 -0.421 75.8-112.8 -86.9 164.4 27.7 -2.8 2.4 92 92 A D > - 0 0 52 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.233 42.3 -96.3 -78.3 166.4 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 77 1,-0.2 4,-1.5 2,-0.2 -2,-0.1 0.875 121.7 48.9 -58.5 -41.8 32.8 -4.3 6.2 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.4 1,-0.2 3,-0.2 0.935 114.7 45.3 -63.2 -46.1 35.5 -2.3 4.3 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.837 105.3 61.2 -71.2 -26.3 33.0 -0.1 2.7 96 96 A R H X S+ 0 0 75 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.923 101.5 53.6 -63.2 -40.0 31.1 0.4 5.9 97 97 A A H X S+ 0 0 7 -4,-1.5 4,-2.4 -3,-0.2 -1,-0.2 0.885 105.1 55.2 -60.2 -35.9 34.3 1.9 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.889 108.4 47.8 -66.1 -33.6 34.3 4.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.908 110.1 51.4 -74.2 -40.3 30.8 5.5 5.2 100 100 A I H X S+ 0 0 9 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.934 106.3 55.3 -59.5 -43.1 31.7 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.958 108.8 48.5 -56.5 -45.4 34.7 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.9 1,-0.2 5,-0.4 0.892 111.5 47.9 -61.9 -43.1 32.4 10.4 6.0 103 103 A V H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.924 110.6 52.9 -66.9 -36.9 29.9 10.7 8.8 104 104 A F H < S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.921 116.4 39.4 -61.6 -42.4 32.8 11.4 11.2 105 105 A Q H < S+ 0 0 53 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.934 132.8 17.5 -72.7 -48.7 34.1 14.1 9.1 106 106 A M H X S- 0 0 52 -4,-2.9 4,-0.7 -5,-0.2 -3,-0.2 0.408 103.2-110.6-109.7 -5.6 30.9 15.8 7.9 107 107 A G H X - 0 0 30 -4,-2.2 4,-2.3 -5,-0.4 5,-0.2 0.093 32.2 -81.9 90.7 153.4 28.1 14.7 10.1 108 108 A E H > S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.872 128.2 47.8 -63.0 -40.3 25.2 12.6 9.6 109 109 A T H > S+ 0 0 119 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.889 108.5 53.5 -69.9 -43.2 23.2 15.3 8.0 110 110 A G H < S+ 0 0 33 -4,-0.7 4,-0.2 1,-0.2 3,-0.2 0.905 114.9 42.2 -58.9 -43.6 25.9 16.3 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.3 3,-2.3 1,-0.2 -2,-0.2 0.905 103.6 62.4 -72.5 -42.7 26.2 12.7 4.4 112 112 A A H 3< S+ 0 0 15 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.779 96.2 67.9 -56.2 -18.1 22.5 11.9 4.2 113 113 A G T 3< S+ 0 0 54 -4,-0.9 2,-2.5 -3,-0.2 3,-0.3 0.773 72.4 84.8 -71.2 -29.6 22.5 14.7 1.7 114 114 A F <> + 0 0 40 -3,-2.3 4,-3.0 -4,-0.2 5,-0.3 -0.257 58.7 157.5 -71.3 48.4 24.6 12.7 -0.9 115 115 A T H > + 0 0 72 -2,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.825 65.2 45.1 -45.5 -54.8 21.4 11.2 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.902 115.0 46.6 -62.2 -44.4 22.4 10.2 -5.5 117 117 A S H > S+ 0 0 1 -3,-0.3 4,-2.5 1,-0.2 -2,-0.2 0.867 110.2 56.1 -65.0 -37.1 25.7 8.7 -4.4 118 118 A L H X S+ 0 0 11 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.903 107.0 48.2 -61.9 -44.2 24.0 6.8 -1.6 119 119 A R H X S+ 0 0 118 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.941 110.1 51.3 -61.9 -42.1 21.7 5.2 -4.0 120 120 A M H <>S+ 0 0 38 -4,-1.9 5,-2.3 1,-0.2 4,-0.3 0.898 110.1 51.2 -62.4 -40.0 24.5 4.2 -6.3 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.932 107.1 51.0 -64.1 -45.8 26.3 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.840 110.8 51.6 -59.0 -31.9 23.2 0.6 -2.2 123 123 A Q T 3<5S- 0 0 92 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.490 112.7-122.7 -83.7 -3.7 23.0 -0.6 -5.8 124 124 A K T < 5 + 0 0 101 -3,-1.8 2,-1.2 -4,-0.3 -3,-0.2 0.817 60.4 148.1 64.2 34.8 26.7 -1.6 -5.8 125 125 A R >< + 0 0 108 -5,-2.3 4,-2.3 1,-0.2 -1,-0.2 -0.731 20.5 174.8 -99.4 78.6 27.5 0.5 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.859 68.5 44.0 -57.0 -55.0 31.0 1.3 -7.6 127 127 A D H > S+ 0 0 115 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.893 115.4 51.7 -65.0 -33.5 32.5 3.2 -10.4 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.916 108.4 49.2 -67.9 -43.7 29.4 5.3 -10.7 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 -1,-0.2 0.887 108.3 55.4 -63.0 -36.7 29.2 6.2 -7.1 130 130 A A H X S+ 0 0 11 -4,-1.9 4,-1.2 1,-0.2 -1,-0.2 0.878 108.3 47.3 -64.7 -40.3 32.9 7.2 -7.2 131 131 A V H X S+ 0 0 95 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.907 114.1 47.2 -66.8 -42.6 32.3 9.6 -10.0 132 132 A N H >< S+ 0 0 39 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.893 107.1 55.9 -67.1 -41.5 29.3 11.1 -8.3 133 133 A L H 3< S+ 0 0 1 -4,-3.0 6,-0.4 1,-0.3 -1,-0.2 0.824 100.4 61.5 -60.7 -31.4 31.0 11.4 -4.9 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.6 1,-0.2 -1,-0.3 0.645 85.8 77.9 -69.6 -21.1 33.8 13.5 -6.6 135 135 A K S << S+ 0 0 154 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.561 80.7 97.3 -87.7 71.4 31.4 16.2 -7.6 136 136 A S S > S- 0 0 17 -2,-1.6 4,-1.8 1,-0.1 5,-0.1 -0.984 85.1-116.6-154.7 156.8 31.1 17.7 -4.3 137 137 A R H > S+ 0 0 144 -2,-0.3 4,-2.3 2,-0.2 5,-0.3 0.859 114.2 64.7 -61.1 -37.6 32.5 20.5 -2.2 138 138 A W H > S+ 0 0 16 1,-0.2 4,-2.6 2,-0.2 8,-0.2 0.936 105.3 43.0 -50.6 -49.1 33.9 17.7 0.1 139 139 A Y H 4 S+ 0 0 62 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.883 113.4 51.6 -68.6 -38.3 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 108 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.840 116.7 38.8 -69.5 -31.6 37.2 20.0 -3.8 141 141 A Q H < S+ 0 0 105 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.871 131.7 23.4 -85.9 -40.6 38.2 21.1 -0.3 142 142 A T S X S+ 0 0 21 -4,-2.6 4,-3.2 -5,-0.3 5,-0.2 -0.538 73.9 158.8-127.3 71.6 39.8 17.9 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.844 69.7 49.1 -65.3 -42.2 40.8 16.1 -2.2 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.944 117.0 41.9 -66.6 -44.9 43.5 13.8 -0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.916 114.3 52.3 -61.0 -47.9 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.2 0.920 107.0 53.6 -58.5 -41.6 38.3 12.4 -0.3 147 147 A K H X S+ 0 0 88 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.894 106.7 52.4 -60.3 -38.5 40.3 10.3 -2.8 148 148 A R H X S+ 0 0 71 -4,-1.7 4,-1.4 1,-0.2 12,-0.2 0.928 112.6 43.3 -61.5 -45.1 41.2 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.894 114.2 50.7 -65.6 -42.1 37.7 7.4 0.9 150 150 A I H X S+ 0 0 12 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.903 108.6 51.6 -64.4 -38.7 36.4 7.2 -2.7 151 151 A T H X S+ 0 0 32 -4,-2.4 4,-2.7 -5,-0.2 6,-0.4 0.872 106.9 55.4 -64.6 -35.2 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.6 -5,-0.2 -1,-0.2 0.921 110.8 42.7 -64.3 -42.7 37.9 2.6 -0.7 153 153 A F H < S+ 0 0 2 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.865 113.6 54.2 -71.2 -34.1 34.3 2.6 -1.9 154 154 A R H < S+ 0 0 99 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.937 123.7 21.4 -62.2 -47.0 35.4 1.9 -5.3 155 155 A T H < S- 0 0 49 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.568 83.7-132.9 -98.0 -27.9 37.4 -1.2 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 1,-0.3 -62,-0.2 0.670 76.2 100.9 73.9 14.3 36.3 -2.6 -1.2 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.798 78.8-123.1-122.8 173.9 40.0 -2.8 -0.1 158 158 A W > + 0 0 38 -2,-0.3 3,-2.0 1,-0.2 4,-0.5 0.129 69.6 122.1-100.0 17.5 42.2 -0.8 2.1 159 159 A D G > + 0 0 112 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.818 65.9 61.9 -52.6 -31.8 44.8 -0.1 -0.6 160 160 A A G 3 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.724 106.5 47.6 -66.8 -21.0 44.5 3.7 -0.3 161 161 A Y G < 0 0 21 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.431 360.0 360.0-101.6 4.4 45.6 3.4 3.2 162 162 A K < 0 0 172 -3,-1.3 -2,-0.2 -4,-0.5 -3,-0.1 0.950 360.0 360.0 -92.4 360.0 48.5 1.2 2.4