==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-MAY-04 1T8A . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.S.YOUSEF,W.A.BAASE,B.W.MATTHEWS . 175 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9729.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 126 72.0 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 . 13 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 1.1 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 92 52.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 0 1 2 1 0 0 0 1 0 0 0 0 0 2 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 0 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 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 60 0, 0.0 2,-0.3 0, 0.0 168,-0.0 0.000 360.0 360.0 360.0 147.2 40.0 -38.5 -40.9 2 2 A N > - 0 0 66 167,-0.0 4,-2.9 106,-0.0 5,-0.2 -0.942 360.0 -77.2-161.3 174.8 40.8 -35.1 -42.5 3 3 A I H > S+ 0 0 32 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.805 125.8 50.4 -53.3 -36.8 39.2 -31.7 -43.2 4 4 A F H > S+ 0 0 79 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.943 115.0 42.2 -68.9 -47.1 37.1 -33.0 -46.1 5 5 A E H > S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.873 114.4 53.3 -65.8 -37.4 35.7 -35.9 -44.2 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.929 112.5 42.1 -63.5 -47.6 35.2 -33.8 -41.1 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.802 108.5 59.8 -71.8 -28.3 33.2 -31.1 -43.0 8 8 A R H X S+ 0 0 109 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.904 108.8 46.2 -64.9 -37.2 31.3 -33.8 -44.9 9 9 A I H < S+ 0 0 54 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.934 117.7 40.7 -69.8 -46.2 30.1 -35.0 -41.5 10 10 A D H < S+ 0 0 21 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.811 124.7 36.0 -73.3 -30.8 29.2 -31.6 -40.1 11 11 A E H < S- 0 0 34 -4,-2.7 19,-0.5 -5,-0.1 -2,-0.2 0.659 92.0-155.4 -97.4 -20.1 27.6 -30.2 -43.3 12 12 A G < - 0 0 24 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.138 23.2 -88.8 71.2-174.3 25.9 -33.3 -44.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.914 43.3 168.6-143.1 111.8 25.1 -33.7 -48.5 14 14 A R E -A 28 0A 134 14,-2.0 14,-2.4 -2,-0.4 4,-0.1 -0.991 21.0-161.0-126.5 127.8 21.9 -32.5 -50.1 15 15 A L E S+ 0 0 70 -2,-0.4 54,-1.6 12,-0.2 2,-0.4 0.392 75.6 62.9 -88.0 3.0 21.5 -32.4 -53.9 16 16 A K E S-C 68 0B 99 52,-0.2 52,-0.2 12,-0.1 10,-0.1 -0.975 97.4 -93.0-129.3 142.6 18.6 -30.0 -53.8 17 17 A I E + 0 0 26 50,-1.5 2,-0.3 -2,-0.4 10,-0.2 -0.246 54.8 159.9 -54.1 134.7 18.5 -26.4 -52.5 18 18 A Y E -A 26 0A 57 8,-2.6 8,-4.0 -4,-0.1 2,-0.4 -0.897 36.9-107.4-147.0 171.8 17.4 -26.1 -48.9 19 19 A K E -A 25 0A 101 -2,-0.3 6,-0.2 6,-0.3 2,-0.1 -0.910 25.2-143.9-113.7 137.6 17.7 -23.6 -46.1 20 20 A D > - 0 0 46 4,-2.2 3,-2.4 -2,-0.4 4,-0.2 -0.294 39.4 -87.5 -87.0 176.6 19.9 -23.9 -43.0 21 21 A T T 3 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.766 127.2 59.0 -56.3 -29.8 19.2 -22.8 -39.5 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 1,-0.0 130,-0.0 0.422 121.4-109.1 -80.9 3.5 20.5 -19.3 -40.2 23 23 A G S < S+ 0 0 17 -3,-2.4 13,-1.9 1,-0.2 2,-0.4 0.821 71.0 142.4 75.1 32.2 17.9 -19.1 -42.9 24 24 A Y E - B 0 35A 70 11,-0.2 -4,-2.2 -4,-0.2 2,-0.3 -0.890 54.7-121.6-108.9 135.2 20.3 -19.3 -45.8 25 25 A Y E +AB 19 34A 18 9,-3.5 8,-2.9 -2,-0.4 9,-0.8 -0.569 47.5 167.3 -69.7 132.5 19.5 -21.1 -49.0 26 26 A T E -AB 18 32A 2 -8,-4.0 -8,-2.6 -2,-0.3 2,-0.3 -0.922 19.6-168.8-144.6 170.2 22.2 -23.7 -49.5 27 27 A I E > + B 0 31A 1 4,-1.9 4,-2.3 -2,-0.3 2,-0.2 -0.979 51.0 4.3-156.6 164.0 23.1 -26.8 -51.5 28 28 A G E 4 S-A 14 0A 1 -14,-2.4 -14,-2.0 -2,-0.3 2,-0.8 -0.382 123.3 -6.7 63.5-125.2 25.5 -29.7 -51.7 29 29 A I T 4 S- 0 0 7 45,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.691 128.0 -52.1-107.3 76.9 28.0 -29.8 -48.8 30 30 A G T 4 S+ 0 0 8 -2,-0.8 2,-0.9 -19,-0.5 -2,-0.2 0.753 83.4 161.2 66.2 26.1 27.3 -26.6 -47.0 31 31 A H E < -B 27 0A 30 -4,-2.3 -4,-1.9 -20,-0.1 -1,-0.2 -0.714 31.8-142.1 -84.2 110.3 27.6 -24.4 -50.1 32 32 A L E +B 26 0A 87 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.466 27.6 168.7 -72.6 137.5 25.8 -21.1 -49.2 33 33 A L E - 0 0 18 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.788 54.2 -32.4-111.4 -67.1 23.8 -19.4 -52.0 34 34 A T E -B 25 0A 44 -9,-0.8 -9,-3.5 16,-0.0 -1,-0.4 -0.974 60.2 -94.6-155.6 162.2 21.6 -16.5 -50.7 35 35 A K E -B 24 0A 132 -2,-0.3 -11,-0.2 -11,-0.3 -12,-0.1 -0.392 38.2-128.6 -78.1 161.2 19.5 -15.5 -47.7 36 36 A S - 0 0 24 -13,-1.9 3,-0.1 1,-0.1 10,-0.1 -0.846 19.0-113.7-113.1 149.3 15.8 -16.2 -47.5 37 37 A P - 0 0 33 0, 0.0 -1,-0.1 0, 0.0 9,-0.0 -0.014 52.9 -64.3 -68.3-179.7 13.0 -13.7 -46.7 38 38 A S - 0 0 84 1,-0.1 4,-0.3 2,-0.0 -15,-0.0 -0.124 47.1-110.2 -61.8 164.3 10.8 -13.9 -43.6 39 39 A I S S+ 0 0 148 1,-0.2 -1,-0.1 2,-0.1 3,-0.0 0.739 127.9 32.0 -69.3 -20.8 8.5 -16.9 -43.1 40 40 A N S S+ 0 0 141 1,-0.1 -1,-0.2 2,-0.0 3,-0.1 0.770 90.9 128.2 -97.4 -41.0 5.7 -14.5 -43.7 41 41 A A S S- 0 0 41 1,-0.1 2,-0.2 4,-0.1 -2,-0.1 0.135 75.8 -68.8 26.0 -99.6 7.8 -12.4 -46.1 42 42 A A > - 0 0 40 -4,-0.3 4,-3.1 -3,-0.0 5,-0.2 -0.689 27.8-119.8 177.3 126.5 5.7 -12.2 -49.3 43 43 A K H > S+ 0 0 176 1,-0.2 4,-1.3 -2,-0.2 5,-0.1 0.755 119.8 45.2 -44.3 -28.2 4.6 -14.8 -51.8 44 44 A S H > S+ 0 0 82 2,-0.2 4,-2.7 1,-0.1 -1,-0.2 0.938 109.9 49.6 -81.8 -54.6 6.4 -12.5 -54.3 45 45 A E H > S+ 0 0 90 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.819 109.2 59.2 -53.0 -30.9 9.6 -11.9 -52.3 46 46 A L H X S+ 0 0 80 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.980 107.9 39.8 -62.9 -59.5 9.6 -15.7 -51.9 47 47 A D H X S+ 0 0 89 -4,-1.3 4,-2.5 1,-0.2 -2,-0.2 0.871 116.3 53.3 -58.7 -38.2 9.8 -16.5 -55.6 48 48 A K H X S+ 0 0 103 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.950 110.5 46.2 -61.5 -49.4 12.2 -13.7 -56.1 49 49 A A H X S+ 0 0 6 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.851 111.7 51.8 -62.1 -37.2 14.5 -15.0 -53.4 50 50 A I H X S+ 0 0 45 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.927 110.8 47.1 -66.2 -45.0 14.2 -18.5 -54.7 51 51 A N H X S+ 0 0 93 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.849 108.4 56.6 -64.4 -34.3 15.2 -17.3 -58.2 52 52 A A H X S+ 0 0 35 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.931 110.1 44.6 -62.5 -44.0 18.0 -15.3 -56.7 53 53 A A H X S+ 0 0 1 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.900 112.6 51.8 -66.3 -41.6 19.4 -18.5 -55.1 54 54 A K H X S+ 0 0 57 -4,-2.6 4,-2.3 1,-0.2 11,-0.3 0.883 107.5 51.8 -63.3 -39.8 18.9 -20.5 -58.3 55 55 A S H X S+ 0 0 60 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.866 107.4 53.6 -65.9 -35.0 20.8 -17.9 -60.4 56 56 A E H X S+ 0 0 67 -4,-1.5 4,-2.5 -5,-0.2 -1,-0.2 0.903 109.2 49.2 -64.6 -40.5 23.7 -18.1 -57.9 57 57 A L H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.921 110.3 48.3 -65.7 -45.6 23.8 -21.9 -58.4 58 58 A D H X>S+ 0 0 36 -4,-2.3 4,-3.1 1,-0.2 5,-1.4 0.884 112.8 50.6 -61.7 -37.9 23.8 -21.7 -62.2 59 59 A K H <5S+ 0 0 140 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.925 112.9 45.0 -64.1 -46.5 26.6 -19.1 -61.9 60 60 A A H <5S+ 0 0 41 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.902 123.9 34.3 -65.3 -42.7 28.6 -21.3 -59.6 61 61 A I H <5S- 0 0 35 -4,-2.9 -2,-0.2 2,-0.2 -1,-0.2 0.779 103.7-127.7 -83.2 -31.0 28.0 -24.4 -61.7 62 62 A G T <5S+ 0 0 63 -4,-3.1 2,-0.3 -5,-0.3 -3,-0.2 0.869 75.1 67.3 83.2 40.3 28.0 -22.7 -65.1 63 63 A A S - 0 0 18 -2,-1.2 3,-0.7 -11,-0.3 -1,-0.2 0.728 37.6-144.9 -91.4 -26.9 20.6 -26.4 -62.9 66 66 A N T 3 S- 0 0 112 1,-0.2 3,-0.1 -3,-0.2 -12,-0.1 0.762 74.8 -52.4 65.8 24.2 17.1 -25.4 -61.9 67 67 A G T 3 S+ 0 0 0 -13,-0.3 -50,-1.5 1,-0.2 2,-0.4 0.646 120.0 100.8 87.3 16.1 18.2 -25.8 -58.2 68 68 A V B < +C 16 0B 71 -3,-0.7 2,-0.3 -52,-0.2 -1,-0.2 -0.995 41.6 172.1-138.3 132.2 19.5 -29.4 -58.6 69 69 A I - 0 0 7 -54,-1.6 2,-0.2 -2,-0.4 -41,-0.1 -0.801 29.1-108.5-130.3 172.3 23.1 -30.7 -59.0 70 70 A T > - 0 0 69 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.510 34.3-105.0 -97.3 169.1 24.9 -34.0 -59.0 71 71 A K H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.907 122.0 53.6 -59.7 -42.2 27.2 -35.5 -56.4 72 72 A D H > S+ 0 0 121 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.896 110.1 47.4 -60.3 -40.2 30.2 -34.7 -58.6 73 73 A E H > S+ 0 0 59 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.891 109.3 53.6 -68.5 -38.6 29.1 -31.1 -58.8 74 74 A A H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -45,-0.4 0.936 111.4 45.8 -61.4 -44.6 28.5 -30.9 -55.1 75 75 A E H X S+ 0 0 89 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.811 108.6 56.9 -68.2 -29.8 32.1 -32.1 -54.5 76 76 A K H X S+ 0 0 128 -4,-1.7 4,-1.9 -5,-0.2 -2,-0.2 0.961 110.6 42.7 -66.7 -47.7 33.4 -29.7 -57.0 77 77 A L H X S+ 0 0 4 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.879 112.5 55.8 -63.3 -36.4 31.9 -26.8 -55.2 78 78 A F H X S+ 0 0 12 -4,-2.1 4,-2.6 -5,-0.2 5,-0.2 0.930 105.8 49.6 -62.3 -46.3 33.1 -28.3 -51.9 79 79 A N H X S+ 0 0 89 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 113.0 48.1 -58.5 -43.9 36.7 -28.5 -53.0 80 80 A Q H X S+ 0 0 93 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.891 113.1 47.4 -63.2 -42.3 36.5 -24.8 -54.1 81 81 A D H X S+ 0 0 34 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.834 110.2 51.1 -71.5 -33.8 34.9 -23.8 -50.8 82 82 A V H X S+ 0 0 7 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.946 112.3 47.8 -67.6 -44.4 37.4 -25.7 -48.6 83 83 A D H X S+ 0 0 83 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.908 110.1 52.7 -60.1 -43.5 40.3 -24.0 -50.6 84 84 A A H X S+ 0 0 41 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.873 107.5 52.0 -60.9 -38.8 38.6 -20.6 -50.2 85 85 A A H X S+ 0 0 8 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.931 111.2 46.3 -65.1 -44.8 38.4 -21.1 -46.4 86 86 A V H X S+ 0 0 37 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.958 113.2 48.6 -62.3 -50.5 42.1 -22.0 -46.1 87 87 A R H X S+ 0 0 135 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.888 108.2 56.0 -57.2 -38.3 43.1 -19.0 -48.3 88 88 A G H X S+ 0 0 3 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.916 108.1 47.9 -59.9 -43.1 40.8 -16.8 -46.2 89 89 A I H >< S+ 0 0 0 -4,-1.9 3,-1.3 1,-0.2 7,-0.7 0.964 111.3 49.4 -60.2 -54.5 42.7 -17.8 -43.1 90 90 A L H 3< S+ 0 0 76 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.779 112.2 48.3 -58.2 -31.0 46.1 -17.3 -44.6 91 91 A R H 3< S+ 0 0 172 -4,-2.0 2,-0.5 -5,-0.2 -1,-0.3 0.569 94.1 90.4 -87.1 -10.7 45.2 -13.8 -45.9 92 92 A N S+ 0 0 123 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.798 118.7 41.2 -91.1 -30.9 44.3 -12.3 -37.0 95 95 A L H > S+ 0 0 0 -6,-0.2 4,-2.8 -7,-0.2 3,-0.3 0.890 101.8 64.8 -84.9 -42.3 43.8 -15.9 -38.2 96 96 A K H X S+ 0 0 98 -4,-2.6 4,-2.9 -7,-0.7 5,-0.2 0.904 100.7 52.1 -49.3 -49.0 47.1 -16.7 -39.8 97 97 A P H > S+ 0 0 55 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.905 113.6 43.5 -55.8 -45.0 49.1 -16.5 -36.6 98 98 A V H >X S+ 0 0 3 -4,-0.6 4,-0.8 -3,-0.3 3,-0.7 0.958 113.1 51.7 -66.0 -49.9 46.8 -18.8 -34.7 99 99 A Y H >< S+ 0 0 39 -4,-2.8 3,-1.1 1,-0.3 -1,-0.2 0.916 109.9 49.2 -52.1 -49.3 46.6 -21.3 -37.7 100 100 A D H 3< S+ 0 0 79 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.754 107.6 55.2 -65.3 -24.8 50.4 -21.5 -38.0 101 101 A S H << S+ 0 0 36 -4,-1.1 -1,-0.2 -3,-0.7 -2,-0.2 0.620 96.3 88.8 -84.0 -12.0 50.7 -22.1 -34.2 102 102 A L S << S- 0 0 8 -3,-1.1 2,-0.1 -4,-0.8 31,-0.0 -0.509 78.2-116.7 -90.6 155.0 48.4 -25.1 -34.3 103 103 A D > - 0 0 60 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.321 44.2 -95.6 -75.7 168.9 49.0 -28.8 -35.0 104 104 A A H > S+ 0 0 77 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.832 122.2 51.8 -58.7 -39.0 47.4 -30.3 -38.1 105 105 A V H > S+ 0 0 27 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.931 112.7 44.1 -66.3 -45.5 44.3 -31.7 -36.2 106 106 A R H > S+ 0 0 24 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.784 106.5 62.1 -71.2 -25.0 43.5 -28.3 -34.6 107 107 A R H X S+ 0 0 80 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.900 101.5 52.9 -64.5 -38.3 44.1 -26.5 -37.9 108 108 A A H X S+ 0 0 9 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.886 104.9 54.8 -63.7 -38.2 41.3 -28.6 -39.3 109 109 A A H X S+ 0 0 0 -4,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.887 108.6 48.2 -62.9 -39.2 39.0 -27.4 -36.5 110 110 A L H X S+ 0 0 1 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.897 110.5 50.6 -68.5 -40.3 39.8 -23.8 -37.3 111 111 A I H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.902 107.1 56.0 -62.0 -39.8 39.1 -24.3 -41.0 112 112 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.930 108.1 46.9 -58.6 -48.7 35.8 -25.9 -40.0 113 113 A M H X S+ 0 0 4 -4,-1.9 4,-2.8 1,-0.2 5,-0.4 0.908 113.8 47.3 -60.3 -44.9 34.8 -22.8 -38.1 114 114 A V H X S+ 0 0 7 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.865 108.8 54.8 -66.8 -35.7 35.8 -20.5 -41.0 115 115 A F H < S+ 0 0 27 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.912 115.5 40.1 -63.2 -41.2 34.0 -22.7 -43.5 116 116 A Q H < S+ 0 0 49 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.916 133.1 17.2 -76.8 -45.3 30.8 -22.4 -41.5 117 117 A M H X S- 0 0 55 -4,-2.8 4,-0.6 -5,-0.2 -3,-0.2 0.466 105.7-116.9-110.3 -1.7 30.8 -18.7 -40.4 118 118 A G H X - 0 0 29 -4,-2.1 4,-2.1 -5,-0.4 5,-0.3 0.223 33.0 -71.9 84.4 153.5 33.3 -17.1 -42.7 119 119 A E H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.899 128.3 47.6 -44.7 -58.8 36.7 -15.4 -42.3 120 120 A T H 4 S+ 0 0 122 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.907 110.6 51.6 -54.8 -49.1 35.3 -12.2 -40.7 121 121 A G H >< S+ 0 0 33 -4,-0.6 3,-1.5 1,-0.2 -1,-0.2 0.954 113.4 41.8 -55.7 -55.6 33.1 -14.0 -38.2 122 122 A V H >< S+ 0 0 0 -4,-2.1 3,-2.6 1,-0.3 -1,-0.2 0.888 104.7 64.6 -61.5 -40.9 35.8 -16.3 -36.8 123 123 A A T 3< S+ 0 0 1 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.651 93.7 67.4 -57.7 -12.2 38.4 -13.5 -36.8 124 124 A G T < S+ 0 0 49 -3,-1.5 2,-1.8 -4,-0.5 -1,-0.3 0.554 70.4 90.4 -86.1 -9.0 36.1 -11.9 -34.2 125 125 A F <> + 0 0 42 -3,-2.6 4,-3.0 1,-0.2 5,-0.3 -0.315 53.2 160.3 -82.8 53.9 36.7 -14.6 -31.5 126 126 A T H > + 0 0 89 -2,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.857 68.3 41.7 -43.2 -54.8 39.6 -12.5 -30.2 127 127 A N H > S+ 0 0 83 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.883 115.3 49.2 -67.2 -40.1 39.7 -14.1 -26.8 128 128 A S H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.931 110.2 51.8 -64.1 -45.7 39.3 -17.6 -27.9 129 129 A L H X S+ 0 0 11 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.861 108.7 51.1 -59.4 -38.6 42.0 -17.2 -30.6 130 130 A R H X S+ 0 0 108 -4,-1.7 4,-1.7 -5,-0.3 -1,-0.2 0.915 110.0 49.2 -66.5 -43.4 44.4 -15.9 -28.0 131 131 A M H <>S+ 0 0 28 -4,-2.0 5,-2.9 2,-0.2 -2,-0.2 0.891 111.2 49.7 -63.0 -39.8 43.8 -18.8 -25.7 132 132 A L H ><5S+ 0 0 3 -4,-2.4 3,-1.3 3,-0.2 -1,-0.2 0.908 110.0 50.2 -64.7 -43.2 44.3 -21.3 -28.6 133 133 A Q H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.819 111.2 49.4 -64.5 -29.8 47.6 -19.6 -29.6 134 134 A Q T 3<5S- 0 0 88 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.398 113.7-124.5 -87.2 0.6 48.6 -19.9 -25.9 135 135 A K T < 5 + 0 0 129 -3,-1.3 2,-1.2 1,-0.2 -3,-0.2 0.831 60.5 148.3 57.7 36.6 47.6 -23.5 -26.1 136 136 A R >< + 0 0 114 -5,-2.9 4,-2.5 1,-0.2 3,-0.3 -0.597 20.0 173.9 -98.2 68.1 45.3 -23.1 -23.1 137 137 A W H > + 0 0 51 -2,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.858 69.0 46.0 -45.4 -55.6 43.0 -25.8 -24.5 138 138 A D H > S+ 0 0 94 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.884 114.4 47.8 -62.7 -38.8 40.5 -26.1 -21.6 139 139 A E H > S+ 0 0 99 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.893 111.7 50.7 -68.1 -39.2 40.1 -22.3 -21.2 140 140 A A H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.902 108.3 54.1 -63.1 -40.4 39.6 -21.9 -24.9 141 141 A A H X S+ 0 0 10 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.934 109.8 45.8 -59.3 -48.7 36.9 -24.7 -24.8 142 142 A V H < S+ 0 0 86 -4,-2.1 4,-0.5 1,-0.2 -1,-0.2 0.900 115.7 47.0 -62.1 -41.3 35.0 -22.9 -22.1 143 143 A N H >< S+ 0 0 46 -4,-2.3 3,-1.3 1,-0.2 -2,-0.2 0.902 106.4 56.4 -68.9 -41.6 35.2 -19.6 -23.9 144 144 A L H 3< S+ 0 0 2 -4,-3.0 6,-0.4 1,-0.3 -1,-0.2 0.833 101.1 59.3 -59.5 -33.1 34.2 -20.9 -27.3 145 145 A A T 3< S+ 0 0 29 -4,-1.4 2,-1.9 1,-0.2 -1,-0.3 0.686 85.6 80.1 -70.1 -20.1 31.0 -22.3 -25.9 146 146 A K S < S+ 0 0 155 -3,-1.3 2,-0.3 -4,-0.5 -1,-0.2 -0.495 81.9 95.8 -86.8 67.3 29.9 -18.8 -24.8 147 147 A S S > S- 0 0 18 -2,-1.9 4,-2.1 1,-0.1 5,-0.1 -0.986 84.7-117.9-153.2 159.9 28.8 -17.9 -28.3 148 148 A R H > S+ 0 0 147 -2,-0.3 4,-3.3 2,-0.2 5,-0.3 0.900 115.5 62.5 -63.2 -40.0 25.8 -17.7 -30.6 149 149 A W H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.951 106.3 42.0 -47.5 -59.2 27.6 -20.3 -32.7 150 150 A Y H 4 S+ 0 0 66 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.924 116.0 49.3 -56.3 -49.8 27.5 -22.9 -29.8 151 151 A N H < S+ 0 0 114 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.870 115.1 42.8 -61.5 -39.4 23.9 -22.1 -28.9 152 152 A Q H < S+ 0 0 90 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.846 132.8 19.7 -78.3 -34.1 22.6 -22.3 -32.4 153 153 A T S X S+ 0 0 31 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 -0.512 73.5 159.7-134.6 67.3 24.5 -25.4 -33.5 154 154 A P H > S+ 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.844 71.4 52.1 -58.2 -41.9 25.6 -27.1 -30.2 155 155 A N H > S+ 0 0 114 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.940 116.3 39.6 -64.7 -45.7 26.2 -30.6 -31.5 156 156 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.935 115.9 51.2 -68.2 -45.4 28.5 -29.5 -34.2 157 157 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.887 107.1 55.0 -59.3 -39.0 30.2 -26.8 -32.0 158 158 A K H X S+ 0 0 103 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.869 107.4 49.3 -62.3 -38.1 30.8 -29.5 -29.3 159 159 A R H X S+ 0 0 56 -4,-1.4 4,-1.5 -3,-0.3 -1,-0.2 0.918 114.2 45.4 -67.1 -43.4 32.6 -31.7 -31.8 160 160 A V H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.928 113.8 48.6 -65.5 -45.3 34.8 -28.8 -33.0 161 161 A I H X S+ 0 0 14 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.910 109.6 52.0 -62.0 -43.2 35.5 -27.6 -29.4 162 162 A T H X S+ 0 0 48 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.856 107.3 54.2 -61.6 -34.4 36.4 -31.2 -28.3 163 163 A T H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.891 109.2 46.8 -67.1 -39.5 38.8 -31.3 -31.2 164 164 A F H < S+ 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.869 115.7 48.6 -68.3 -36.1 40.5 -28.1 -30.1 165 165 A R H < S+ 0 0 122 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.953 124.0 24.8 -67.8 -53.4 40.6 -29.5 -26.6 166 166 A T H < S- 0 0 71 -4,-3.0 -3,-0.2 2,-0.2 -2,-0.2 0.759 86.5-136.9 -86.8 -29.8 42.0 -33.0 -27.3 167 167 A G S < S+ 0 0 16 -4,-2.1 2,-0.3 -5,-0.4 -62,-0.2 0.737 72.8 102.3 75.4 20.3 43.9 -32.4 -30.5 168 168 A T S S- 0 0 49 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.795 82.2-118.5-128.2 171.7 42.5 -35.8 -31.6 169 169 A W S >> S+ 0 0 44 -2,-0.3 3,-2.1 1,-0.2 4,-0.7 0.165 73.1 120.3 -96.2 16.0 39.7 -36.9 -34.0 170 170 A D G >4 + 0 0 122 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.789 68.5 57.1 -52.1 -33.5 37.8 -38.7 -31.2 171 171 A A G 34 S+ 0 0 28 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.651 111.8 43.1 -74.8 -13.1 34.6 -36.5 -31.6 172 172 A Y G X4 S+ 0 0 2 -3,-2.1 3,-0.7 -13,-0.1 2,-0.3 0.422 91.6 100.5-110.4 -2.5 34.4 -37.6 -35.2 173 173 A K T << S+ 0 0 97 -4,-0.7 -3,-0.0 -3,-0.5 0, 0.0 -0.617 81.5 24.8 -86.5 146.1 35.1 -41.3 -34.9 174 174 A N T 3 0 0 169 -2,-0.3 -1,-0.2 1,-0.2 -4,-0.0 0.775 360.0 360.0 72.8 28.8 32.3 -43.8 -34.9 175 175 A L < 0 0 128 -3,-0.7 -1,-0.2 0, 0.0 -4,-0.0 -0.890 360.0 360.0-121.0 360.0 30.1 -41.4 -36.9