==== 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 30-JUN-99 1QT3 . COMPND 2 MOLECULE: PROTEIN (T4 LYSOZYME); . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR R.KUROKI,L.H.WEAVER,B.W.MATTHEWS . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8794.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 70.7 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 7.3 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 . 86 52.4 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 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.8 43.5 -1.7 9.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.915 360.0 -81.4-152.1 176.7 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.833 125.5 52.4 -53.1 -40.1 38.2 2.4 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.944 112.9 42.7 -64.1 -48.6 40.3 3.7 14.1 5 5 A E H > S+ 0 0 97 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.848 114.4 52.9 -65.7 -38.2 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 3,-0.4 0.940 113.0 41.6 -64.9 -49.6 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.4 0.843 108.3 59.9 -68.6 -29.8 40.6 7.8 10.9 8 8 A R H X S+ 0 0 103 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.866 108.0 47.1 -65.2 -29.0 43.8 8.3 12.9 9 9 A I H < S+ 0 0 49 -4,-1.2 -2,-0.2 -3,-0.4 -1,-0.2 0.908 115.1 45.0 -74.8 -44.8 45.6 8.6 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.822 125.1 29.6 -71.0 -30.4 43.1 11.0 8.0 11 11 A E H < S- 0 0 43 -4,-2.7 19,-0.3 1,-0.2 -1,-0.2 0.710 91.8-152.5-103.0 -23.0 42.8 13.3 11.1 12 12 A G < - 0 0 22 -4,-1.4 2,-0.3 -5,-0.4 -1,-0.2 -0.313 24.1 -84.2 80.3-171.8 46.1 13.1 12.8 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.918 43.4 170.8-143.4 114.1 46.7 13.6 16.5 14 14 A R E -A 28 0A 140 14,-1.7 14,-2.3 -2,-0.3 4,-0.1 -0.989 19.3-162.5-128.3 128.4 47.2 17.1 18.2 15 15 A L E S+ 0 0 68 -2,-0.4 43,-1.8 12,-0.2 2,-0.3 0.451 73.9 61.6 -88.8 -0.7 47.2 17.6 21.9 16 16 A K E S-C 57 0B 146 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.927 101.3 -85.1-126.7 150.8 46.6 21.3 21.8 17 17 A I E + 0 0 15 39,-1.4 2,-0.3 -2,-0.3 10,-0.2 -0.279 58.9 173.6 -49.8 139.9 43.6 23.2 20.5 18 18 A Y E -A 26 0A 21 8,-2.3 8,-2.7 -4,-0.1 2,-0.5 -0.935 34.4-105.3-146.9 164.2 44.1 23.7 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.785 34.8-141.3 -96.6 134.7 42.2 25.0 13.8 20 20 A D > - 0 0 37 4,-3.4 3,-1.9 -2,-0.5 -1,-0.1 -0.163 39.2 -81.0 -81.5-173.6 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 120 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.706 132.5 49.0 -61.3 -21.4 40.8 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 0.317 121.2-103.9 -99.3 3.2 37.6 24.9 7.9 23 23 A G S < S+ 0 0 38 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.239 79.5 130.3 88.8 -4.9 39.0 27.3 10.5 24 24 A Y - 0 0 76 -5,-0.1 -4,-3.4 1,-0.1 2,-0.5 -0.362 62.9-100.4 -78.8 164.6 37.0 25.7 13.4 25 25 A Y E +AB 19 34A 25 9,-2.1 8,-3.1 11,-0.3 9,-1.4 -0.712 48.7 157.3 -91.1 129.1 38.5 24.6 16.6 26 26 A D E -AB 18 32A 7 -8,-2.7 -8,-2.3 -2,-0.5 2,-0.3 -0.792 19.1-163.8-133.1 177.9 39.3 21.0 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-1.9 -2,-0.3 -12,-0.2 -0.970 56.6 4.1-154.4 161.9 41.5 19.0 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.7 -2,-0.3 2,-0.9 -0.416 123.3 -5.5 71.2-133.7 42.8 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.673 127.9 -52.3-103.3 73.4 41.9 13.2 16.6 30 30 A G T 4 S+ 0 0 11 -2,-0.9 2,-0.8 -19,-0.3 -2,-0.2 0.787 84.4 162.2 68.6 30.8 39.5 15.4 14.7 31 31 A H E < -B 27 0A 27 -4,-1.9 -4,-1.6 1,-0.0 2,-0.3 -0.704 33.0-139.2 -86.3 109.5 37.3 16.2 17.7 32 32 A L E +B 26 0A 73 -2,-0.8 -6,-0.3 -6,-0.2 3,-0.1 -0.432 26.1 173.8 -69.0 124.7 35.3 19.3 16.9 33 33 A L E - 0 0 15 -8,-3.1 2,-0.3 1,-0.4 -7,-0.2 0.889 62.2 -16.8 -92.9 -57.6 35.0 21.7 19.8 34 34 A T E -B 25 0A 26 -9,-1.4 -9,-2.1 2,-0.1 -1,-0.4 -0.997 34.6-149.3-154.7 148.5 33.3 24.7 18.4 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.535 74.8 105.1 -88.9 -12.7 32.4 26.3 15.1 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.3 2,-0.1 -2,-0.1 -0.374 78.5-124.8 -74.9 149.1 32.6 29.6 16.8 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.463 76.4 101.8 -73.6 -3.1 35.5 32.0 16.3 38 38 A S > - 0 0 52 1,-0.1 4,-2.1 -13,-0.0 -2,-0.1 -0.720 56.2-157.4 -93.3 129.4 36.5 32.4 20.0 39 39 A L H > S+ 0 0 71 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.764 99.4 55.7 -70.7 -23.5 39.3 30.5 21.5 40 40 A N H > S+ 0 0 117 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 103.1 52.0 -74.2 -42.2 37.7 31.0 24.8 41 41 A A H > S+ 0 0 31 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.937 112.5 49.5 -55.4 -44.1 34.5 29.3 23.7 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.858 108.1 50.1 -63.6 -39.3 36.7 26.5 22.6 43 43 A K H X S+ 0 0 57 -4,-1.8 4,-2.1 1,-0.2 11,-0.3 0.844 111.6 51.1 -69.9 -32.0 38.6 26.2 25.9 44 44 A S H X S+ 0 0 74 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.906 110.0 46.1 -70.5 -44.6 35.3 26.1 27.6 45 45 A E H X S+ 0 0 69 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.906 112.4 55.1 -64.5 -41.0 33.8 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 -5,-0.2 5,-0.3 0.931 107.8 44.9 -58.6 -45.6 37.1 21.6 25.9 47 47 A D H X>S+ 0 0 32 -4,-2.1 4,-1.9 2,-0.2 5,-1.3 0.892 113.7 51.8 -66.4 -34.2 37.1 21.6 29.7 48 48 A K H <5S+ 0 0 140 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.908 110.6 48.4 -68.1 -40.0 33.4 20.6 29.7 49 49 A A H <5S+ 0 0 46 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.901 121.0 35.1 -68.0 -37.9 34.3 17.7 27.3 50 50 A I H <5S- 0 0 34 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.615 103.0-127.1 -90.0 -19.2 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 67 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.868 77.0 76.3 75.4 33.6 35.8 17.3 32.8 52 52 A R S - 0 0 10 -2,-1.0 3,-0.5 -11,-0.3 -1,-0.2 0.875 30.6-144.2 -86.9 -38.4 42.5 21.8 30.7 55 55 A N T 3 S- 0 0 123 1,-0.2 -2,-0.1 -12,-0.2 3,-0.1 0.865 72.3 -58.0 70.2 39.7 44.0 25.1 29.7 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.4 1,-0.1 2,-0.4 0.465 118.6 99.0 69.1 8.4 43.8 24.0 26.0 57 57 A V B < +C 16 0B 77 -3,-0.5 2,-0.3 -41,-0.2 -41,-0.2 -0.989 44.0 172.9-128.3 136.1 46.0 20.9 26.5 58 58 A I - 0 0 3 -43,-1.8 2,-0.1 -2,-0.4 -30,-0.1 -0.829 29.1-110.2-131.7 168.0 45.1 17.2 27.0 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.1 -0.409 33.4-103.5 -91.2 177.1 46.9 14.0 27.2 60 60 A K H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.908 121.5 51.9 -64.2 -44.7 47.0 11.2 24.7 61 61 A D H > S+ 0 0 120 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.893 109.0 49.7 -57.9 -47.7 44.7 9.0 26.7 62 62 A E H > S+ 0 0 36 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.901 110.8 51.0 -59.0 -47.2 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -34,-0.4 0.883 110.7 48.5 -57.6 -42.3 42.4 12.3 23.1 64 64 A E H X S+ 0 0 80 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.809 107.4 55.4 -71.5 -30.7 41.8 8.6 22.6 65 65 A K H X S+ 0 0 140 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.940 109.3 45.7 -66.3 -47.7 38.9 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.937 112.1 54.0 -57.8 -46.4 37.2 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.929 107.1 49.5 -54.7 -48.2 38.1 9.6 19.7 68 68 A N H X S+ 0 0 90 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.925 112.2 47.9 -58.6 -43.0 36.4 6.4 21.0 69 69 A Q H X S+ 0 0 101 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.913 111.5 51.7 -64.4 -41.9 33.3 8.4 21.9 70 70 A D H X S+ 0 0 33 -4,-2.8 4,-1.7 -5,-0.2 -2,-0.2 0.885 110.4 46.6 -66.2 -36.6 33.3 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.953 112.8 49.7 -70.4 -44.9 33.5 6.8 16.6 72 72 A D H X S+ 0 0 81 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.949 111.3 49.0 -55.9 -47.3 30.8 5.2 18.6 73 73 A A H X S+ 0 0 48 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.863 108.1 54.5 -61.4 -36.6 28.6 8.2 18.1 74 74 A A H X S+ 0 0 8 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.953 111.2 45.0 -60.1 -52.5 29.3 8.2 14.3 75 75 A V H X S+ 0 0 35 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.937 114.1 49.2 -56.9 -48.0 28.2 4.5 14.1 76 76 A R H X S+ 0 0 128 -4,-2.9 4,-1.5 -5,-0.2 -1,-0.2 0.890 110.0 51.4 -63.5 -36.1 25.1 5.2 16.3 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-0.7 -5,-0.3 -1,-0.2 0.901 108.9 50.0 -67.8 -40.8 24.2 8.1 14.2 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.2 7,-0.4 0.974 110.8 51.0 -59.3 -49.5 24.4 6.2 11.0 79 79 A L H 3< S+ 0 0 65 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.760 112.0 45.4 -62.0 -26.8 22.2 3.4 12.5 80 80 A R H 3< S+ 0 0 178 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.3 0.428 92.5 96.5 -93.5 -7.2 19.5 5.8 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.4 0.857 98.8 66.8 -87.4 -39.4 21.9 6.0 6.1 85 85 A K H X S+ 0 0 83 -4,-2.8 4,-3.0 -7,-0.4 5,-0.2 0.889 99.6 51.2 -52.8 -43.8 21.1 2.8 7.8 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.868 111.0 48.5 -64.1 -35.4 20.0 1.0 4.7 87 87 A V H > S+ 0 0 1 -4,-0.5 4,-0.8 -3,-0.4 3,-0.2 0.943 112.8 47.7 -66.2 -51.3 23.2 2.0 2.9 88 88 A Y H >< S+ 0 0 31 -4,-2.5 3,-0.9 1,-0.2 -1,-0.2 0.900 109.8 52.4 -55.9 -45.8 25.3 0.9 5.7 89 89 A D H 3< S+ 0 0 75 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.838 106.7 54.7 -67.4 -26.5 23.5 -2.4 6.1 90 90 A S H 3< S+ 0 0 39 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.638 96.3 86.9 -78.5 -15.1 24.0 -3.2 2.4 91 91 A L S << S- 0 0 6 -3,-0.9 2,-0.1 -4,-0.8 31,-0.0 -0.492 75.2-115.6 -89.0 158.6 27.8 -2.7 2.5 92 92 A D > - 0 0 54 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.235 44.6 -92.2 -78.1 171.6 30.7 -5.0 3.2 93 93 A A H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.857 121.6 46.9 -59.9 -41.2 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.5 1,-0.2 3,-0.5 0.976 113.6 47.2 -66.7 -52.2 35.6 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.805 105.7 60.0 -61.3 -28.9 33.1 0.0 2.7 96 96 A R H X S+ 0 0 79 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.931 102.3 53.8 -63.4 -38.9 31.2 0.5 5.9 97 97 A A H X S+ 0 0 8 -4,-1.5 4,-2.1 -3,-0.5 -2,-0.2 0.877 104.5 54.6 -62.5 -35.9 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.8 1,-0.2 -1,-0.2 0.890 108.2 48.3 -66.8 -35.5 34.4 4.4 4.4 99 99 A L H X S+ 0 0 1 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.901 109.7 52.4 -68.7 -38.5 30.8 5.6 5.2 100 100 A I H X S+ 0 0 10 -4,-2.4 4,-3.0 2,-0.2 5,-0.3 0.941 106.4 55.4 -63.2 -40.6 31.7 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.944 108.7 45.9 -57.5 -47.3 34.8 8.2 7.9 102 102 A M H X S+ 0 0 3 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.899 112.8 51.1 -66.0 -36.3 32.6 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.916 109.9 48.6 -66.3 -39.3 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 0.909 117.3 44.1 -66.3 -36.3 32.8 11.5 11.4 105 105 A Q H < S+ 0 0 55 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.933 131.5 14.7 -72.0 -51.0 34.1 14.2 9.1 106 106 A M H X S- 0 0 57 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.520 103.2-108.3-111.2 -5.0 30.9 15.8 8.0 107 107 A G H X - 0 0 32 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.147 34.4 -84.4 89.5 148.3 28.1 14.8 10.2 108 108 A E H > S+ 0 0 42 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.851 127.5 53.7 -58.7 -39.7 25.2 12.6 9.6 109 109 A T H > S+ 0 0 123 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.914 107.5 50.1 -63.5 -44.8 23.2 15.3 8.1 110 110 A G H >< S+ 0 0 33 -4,-0.6 3,-1.0 1,-0.2 -2,-0.2 0.945 113.9 45.5 -61.5 -48.2 25.9 16.2 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.6 3,-2.7 1,-0.3 -2,-0.2 0.928 104.1 59.7 -63.9 -43.1 26.3 12.7 4.5 112 112 A A H 3< S+ 0 0 7 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.692 95.7 68.8 -57.9 -17.6 22.6 12.0 4.2 113 113 A G T << S+ 0 0 56 -3,-1.0 2,-1.0 -4,-0.8 -1,-0.3 0.541 73.4 85.5 -78.1 -8.9 22.6 14.8 1.6 114 114 A F <> + 0 0 40 -3,-2.7 4,-2.5 1,-0.2 3,-0.4 -0.313 56.4 158.2 -87.8 51.6 24.6 12.8 -0.9 115 115 A T H > + 0 0 83 -2,-1.0 4,-1.9 1,-0.2 -1,-0.2 0.833 65.5 45.9 -43.1 -54.0 21.4 11.3 -2.2 116 116 A N H > S+ 0 0 78 -3,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.872 115.2 46.7 -64.6 -39.5 22.6 10.2 -5.6 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.887 109.0 55.1 -68.8 -40.7 25.8 8.6 -4.3 118 118 A L H X S+ 0 0 10 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.929 108.3 49.6 -58.8 -44.9 24.0 6.8 -1.5 119 119 A R H X S+ 0 0 122 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.933 111.4 47.7 -62.5 -41.3 21.7 5.2 -4.0 120 120 A M H <>S+ 0 0 32 -4,-1.8 5,-2.5 2,-0.2 4,-0.4 0.884 111.4 50.4 -67.9 -38.1 24.6 4.1 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.948 109.2 52.0 -65.6 -43.8 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.865 110.5 49.1 -58.6 -33.0 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 99 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.488 112.5-121.0 -84.7 -3.6 23.1 -0.5 -5.9 124 124 A K T < 5 + 0 0 99 -3,-1.8 2,-1.3 -4,-0.4 -3,-0.2 0.745 63.0 146.2 69.1 26.8 26.7 -1.6 -5.8 125 125 A R >< + 0 0 113 -5,-2.5 4,-2.7 1,-0.2 5,-0.2 -0.637 21.6 174.9 -94.9 74.9 27.6 0.6 -8.8 126 126 A W H > + 0 0 51 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.883 69.9 45.3 -50.0 -53.2 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.915 114.5 49.0 -63.9 -39.3 32.6 3.3 -10.3 128 128 A E H > S+ 0 0 92 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.920 110.0 50.2 -67.8 -43.1 29.5 5.5 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-4.0 2,-0.2 5,-0.3 0.922 109.2 53.8 -58.7 -42.1 29.3 6.3 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.2 4,-1.5 -5,-0.2 -2,-0.2 0.935 109.9 46.2 -59.9 -44.9 33.0 7.3 -7.1 131 131 A V H X S+ 0 0 92 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.957 115.1 47.1 -64.6 -47.3 32.5 9.7 -10.0 132 132 A N H >< S+ 0 0 42 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.931 108.3 55.2 -59.9 -44.7 29.4 11.1 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-4.0 6,-0.4 1,-0.3 -1,-0.2 0.849 100.6 61.5 -57.2 -32.1 31.1 11.5 -4.9 134 134 A A H 3< S+ 0 0 28 -4,-1.5 2,-1.6 -3,-0.3 -1,-0.3 0.662 84.6 78.7 -68.2 -21.7 33.8 13.5 -6.5 135 135 A K S << S+ 0 0 164 -3,-1.6 2,-0.3 -4,-0.5 -1,-0.2 -0.574 80.5 97.3 -87.9 72.1 31.4 16.2 -7.6 136 136 A S S > S- 0 0 17 -2,-1.6 4,-2.1 1,-0.1 5,-0.2 -1.000 84.6-116.4-156.6 156.1 31.3 17.9 -4.3 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.889 114.4 63.1 -57.4 -42.9 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.928 106.1 43.2 -45.7 -53.3 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.884 114.5 49.8 -65.5 -42.2 36.2 16.5 -2.7 140 140 A N H < S+ 0 0 109 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.857 115.3 43.0 -67.3 -33.6 37.3 20.0 -3.8 141 141 A Q H < S+ 0 0 116 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.907 132.4 17.8 -79.0 -43.0 38.2 21.1 -0.3 142 142 A T S X S+ 0 0 23 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 -0.637 73.1 160.6-132.9 70.3 40.0 18.0 1.0 143 143 A P H > S+ 0 0 48 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.831 70.4 53.2 -62.3 -40.1 40.8 16.1 -2.2 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.6 1,-0.2 -2,-0.1 0.954 116.4 39.2 -64.8 -46.5 43.6 13.9 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.0 1,-0.2 3,-0.3 0.952 115.7 51.9 -65.0 -50.2 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.911 106.9 55.2 -53.1 -45.7 38.4 12.5 -0.3 147 147 A K H X S+ 0 0 103 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.882 106.4 51.3 -54.3 -42.2 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 56 -4,-1.6 4,-1.6 -3,-0.3 12,-0.2 0.939 113.1 42.7 -61.4 -48.1 41.3 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.899 114.5 51.2 -65.3 -43.3 37.7 7.3 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.914 109.7 49.7 -61.3 -42.8 36.4 7.2 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.6 4,-2.7 -5,-0.3 6,-0.3 0.859 108.3 54.9 -63.5 -34.2 39.0 4.6 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -2,-0.2 0.904 111.6 42.7 -64.3 -44.3 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.884 115.8 49.9 -71.3 -34.9 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 94 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.915 124.1 26.2 -68.7 -40.2 35.4 2.0 -5.3 155 155 A T H < S- 0 0 43 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.669 84.5-136.2 -99.3 -22.7 37.6 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.8 2,-0.3 1,-0.3 -62,-0.2 0.682 74.5 100.1 74.2 12.3 36.4 -2.5 -1.2 157 157 A T S S- 0 0 45 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.806 81.6-120.2-126.0 171.5 40.0 -2.7 -0.1 158 158 A W S >> S+ 0 0 38 -2,-0.3 3,-2.1 1,-0.2 4,-1.3 0.193 71.0 122.2 -95.1 18.7 42.3 -0.7 2.2 159 159 A D T 34 + 0 0 91 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.844 66.3 58.4 -48.3 -40.5 44.8 0.0 -0.6 160 160 A A T 34 S+ 0 0 26 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.674 114.8 41.0 -66.0 -15.7 44.6 3.9 -0.4 161 161 A Y T X4 S+ 0 0 2 -3,-2.1 3,-1.5 -13,-0.1 2,-0.3 0.660 84.9 100.7-107.5 -21.5 45.7 3.5 3.2 162 162 A K T 3< S+ 0 0 103 -4,-1.3 0, 0.0 -3,-0.3 0, 0.0 -0.660 86.0 34.7 -70.9 126.2 48.4 0.7 3.1 163 163 A N T 3 0 0 167 -2,-0.3 -1,-0.2 0, 0.0 -2,-0.1 -0.136 360.0 360.0 120.5 -25.7 51.8 2.6 3.3 164 164 A L < 0 0 125 -3,-1.5 -2,-0.1 -4,-0.0 -3,-0.0 0.673 360.0 360.0 -80.3 360.0 50.7 5.4 5.6