==== 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) 20-JUN-94 166L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8636.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 53.1 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 78 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.0 43.4 -1.8 9.2 2 2 A N > - 0 0 68 156,-0.0 4,-2.5 95,-0.0 5,-0.2 -0.906 360.0 -81.9-152.9 175.2 40.2 -0.7 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.835 123.9 51.8 -52.7 -42.2 38.1 2.4 11.3 4 4 A F H > S+ 0 0 76 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.933 113.4 42.9 -65.0 -46.4 40.1 3.7 14.2 5 5 A E H > S+ 0 0 92 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.838 113.1 54.7 -66.8 -33.0 43.4 3.4 12.3 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 3,-0.3 0.965 111.6 42.4 -66.1 -49.9 41.8 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.849 108.2 59.5 -65.5 -31.8 40.5 7.8 11.0 8 8 A R H X S+ 0 0 96 -4,-1.8 4,-1.6 -5,-0.2 -1,-0.2 0.895 107.9 46.8 -65.9 -32.9 43.8 8.3 12.9 9 9 A I H < S+ 0 0 88 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.940 115.8 45.5 -69.8 -43.6 45.6 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 124.4 30.4 -68.3 -37.0 43.0 11.0 8.2 11 11 A E H < S- 0 0 45 -4,-2.9 19,-0.4 -5,-0.2 -1,-0.2 0.670 90.4-150.5 -98.5 -26.9 42.7 13.2 11.2 12 12 A G < - 0 0 23 -4,-1.6 2,-0.3 -5,-0.4 -1,-0.2 -0.272 24.4 -89.1 79.9 179.0 46.1 13.2 12.9 13 13 A L + 0 0 42 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.974 43.0 170.2-135.9 122.6 46.6 13.7 16.6 14 14 A R E -A 28 0A 128 14,-1.5 14,-2.9 -2,-0.3 4,-0.1 -0.997 18.7-164.5-134.1 126.6 47.1 17.1 18.2 15 15 A L E S+ 0 0 63 -2,-0.4 43,-2.0 12,-0.2 2,-0.4 0.378 73.3 65.1 -91.9 -0.1 47.1 17.6 22.0 16 16 A K E S-C 57 0B 141 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.957 101.2 -85.7-125.2 142.0 46.6 21.4 21.9 17 17 A I E + 0 0 18 39,-1.8 2,-0.3 -2,-0.4 10,-0.2 -0.170 59.3 169.6 -41.8 135.0 43.6 23.3 20.5 18 18 A Y E -A 26 0A 23 8,-3.2 8,-3.4 -4,-0.1 2,-0.5 -0.942 36.3-106.5-144.9 167.9 44.0 23.8 16.8 19 19 A K E -A 25 0A 122 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.866 33.8-138.4-100.9 132.0 42.0 25.0 13.8 20 20 A D > - 0 0 50 4,-2.9 3,-1.7 -2,-0.5 -1,-0.0 0.024 43.1 -77.0 -71.0-174.7 40.7 22.4 11.3 21 21 A T T 3 S+ 0 0 113 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.691 136.1 47.2 -57.4 -23.0 40.7 22.6 7.5 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.378 123.4-102.5 -98.6 -3.7 37.6 25.0 7.8 23 23 A G S < S+ 0 0 37 -3,-1.7 2,-0.4 1,-0.3 -2,-0.1 0.597 75.3 139.5 90.7 19.5 39.1 27.2 10.6 24 24 A Y - 0 0 77 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.822 60.6-100.9-103.3 142.5 37.2 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.6 8,-2.8 11,-0.4 9,-1.4 -0.316 53.9 159.3 -59.3 125.6 38.6 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.4 -8,-3.2 6,-0.3 2,-0.3 -0.870 18.5-169.9-141.4 166.4 39.4 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.4 4,-1.9 -2,-0.3 2,-0.2 -0.979 52.1 4.0-154.8 163.0 41.6 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.9 -14,-1.5 -2,-0.3 2,-0.8 -0.433 122.4 -7.1 70.2-127.8 42.8 15.4 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.674 127.0 -52.1-107.6 74.3 41.8 13.2 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.744 83.3 159.8 69.9 24.7 39.5 15.4 14.8 31 31 A H E < -B 27 0A 28 -4,-1.9 -4,-1.4 -20,-0.1 2,-0.2 -0.656 32.6-144.4 -85.5 107.8 37.3 16.3 17.7 32 32 A L E -B 26 0A 69 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.436 18.6-177.9 -68.3 128.4 35.4 19.5 16.8 33 33 A L E - 0 0 15 -8,-2.8 2,-0.3 1,-0.3 -7,-0.2 0.900 58.8 -27.6 -91.9 -47.6 35.0 21.7 19.8 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.6 2,-0.1 -1,-0.3 -0.975 34.4-138.6-164.8 153.3 33.0 24.6 18.4 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.498 72.0 110.6 -93.1 -5.8 32.3 26.5 15.3 36 36 A S S S- 0 0 45 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.356 74.9-126.6 -70.1 154.0 32.4 29.8 17.1 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.614 79.0 105.5 -75.0 -9.7 35.3 32.2 16.5 38 38 A S > - 0 0 44 1,-0.1 4,-1.8 -13,-0.0 5,-0.1 -0.607 54.3-163.7 -82.9 117.7 36.0 32.4 20.1 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 0.784 95.0 54.8 -67.8 -26.1 39.0 30.6 21.6 40 40 A N H > S+ 0 0 118 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.891 105.4 51.6 -73.5 -37.3 37.5 31.0 25.0 41 41 A A H > S+ 0 0 34 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.890 110.5 49.8 -63.9 -35.2 34.4 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.872 109.1 51.2 -71.4 -34.5 36.5 26.6 22.6 43 43 A K H X S+ 0 0 62 -4,-2.1 4,-2.1 1,-0.2 11,-0.3 0.844 111.1 49.9 -71.1 -28.4 38.5 26.2 25.9 44 44 A S H X S+ 0 0 70 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.875 108.3 49.1 -76.3 -41.0 35.3 26.1 27.7 45 45 A E H X S+ 0 0 67 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.856 112.2 53.6 -66.2 -36.4 33.7 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 5,-0.3 0.929 107.5 46.8 -64.4 -45.3 37.0 21.5 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.1 4,-2.0 1,-0.2 5,-1.3 0.890 112.5 51.8 -64.3 -35.8 36.9 21.6 29.7 48 48 A K H <5S+ 0 0 139 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.826 110.2 48.4 -67.7 -36.0 33.3 20.6 29.6 49 49 A A H <5S+ 0 0 46 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.870 120.8 35.5 -72.7 -35.1 34.1 17.6 27.4 50 50 A I H <5S- 0 0 37 -4,-2.0 -2,-0.2 2,-0.3 -3,-0.2 0.685 103.3-125.3 -92.6 -26.2 37.1 16.3 29.5 51 51 A G T <5S+ 0 0 69 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.822 76.0 74.8 81.4 30.6 35.7 17.2 32.9 52 52 A R S - 0 0 8 -2,-1.1 3,-1.0 -11,-0.3 -1,-0.2 0.771 31.1-146.1 -86.7 -25.4 42.5 21.8 30.8 55 55 A N T 3 S- 0 0 123 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.719 74.9 -57.9 64.3 18.0 43.9 25.2 29.8 56 56 A G T 3 S+ 0 0 5 1,-0.2 -39,-1.8 -13,-0.2 2,-0.3 0.664 117.4 100.4 90.2 13.4 43.7 24.0 26.2 57 57 A V B < +C 16 0B 74 -3,-1.0 2,-0.3 -41,-0.2 -1,-0.2 -0.998 43.9 179.2-134.7 137.5 45.8 21.0 26.5 58 58 A I - 0 0 4 -43,-2.0 2,-0.2 -2,-0.3 -30,-0.1 -0.848 26.1-112.5-131.7 165.2 45.0 17.3 26.9 59 59 A T > - 0 0 65 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.514 33.1-104.5 -91.7 170.6 46.8 14.1 27.2 60 60 A K H > S+ 0 0 105 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 121.7 53.0 -59.6 -41.5 47.0 11.3 24.7 61 61 A D H > S+ 0 0 124 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.863 108.5 48.9 -62.6 -42.8 44.7 9.2 26.8 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.0 -3,-0.2 -2,-0.2 0.859 111.2 50.6 -64.4 -38.0 42.1 12.0 26.9 63 63 A A H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -34,-0.4 0.917 110.4 49.7 -65.9 -43.0 42.3 12.4 23.1 64 64 A E H X S+ 0 0 75 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.824 108.5 53.7 -66.6 -29.9 41.8 8.6 22.7 65 65 A K H X S+ 0 0 134 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.933 108.8 46.1 -70.9 -43.9 38.8 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.896 112.3 55.2 -60.8 -38.6 37.1 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-2.1 4,-2.6 2,-0.2 5,-0.3 0.949 105.1 49.2 -63.1 -48.6 38.0 9.5 19.9 68 68 A N H X S+ 0 0 88 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.912 113.6 49.4 -54.7 -41.8 36.3 6.3 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.892 111.1 48.1 -65.4 -40.3 33.2 8.4 21.9 70 70 A D H X S+ 0 0 36 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.863 110.5 49.3 -72.3 -36.8 33.1 10.0 18.6 71 71 A V H X S+ 0 0 6 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.949 114.4 47.1 -65.5 -49.7 33.5 6.8 16.6 72 72 A D H X S+ 0 0 87 -4,-2.4 4,-2.8 -5,-0.3 5,-0.3 0.937 110.4 51.6 -59.8 -43.2 30.8 5.2 18.6 73 73 A A H X S+ 0 0 46 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.929 108.4 52.3 -60.6 -40.0 28.5 8.1 18.3 74 74 A A H X S+ 0 0 11 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.933 110.7 46.9 -61.2 -45.1 29.0 8.1 14.5 75 75 A V H X S+ 0 0 31 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.972 113.9 47.3 -61.1 -50.7 28.1 4.5 14.2 76 76 A R H X S+ 0 0 118 -4,-2.8 4,-1.4 1,-0.2 -2,-0.2 0.896 110.3 53.8 -59.6 -35.7 25.1 4.9 16.4 77 77 A G H X S+ 0 0 5 -4,-2.7 4,-0.9 -5,-0.3 -1,-0.2 0.909 107.7 49.1 -63.9 -45.1 24.1 8.0 14.4 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-0.9 1,-0.2 7,-0.4 0.941 110.5 52.7 -58.5 -46.2 24.2 6.1 11.0 79 79 A L H 3< S+ 0 0 64 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.792 111.0 45.3 -63.6 -28.3 22.1 3.3 12.6 80 80 A R H 3< S+ 0 0 183 -4,-1.4 2,-0.5 -5,-0.2 -1,-0.3 0.581 94.0 96.3 -88.6 -16.1 19.4 5.7 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.6 -7,-0.2 5,-0.2 0.798 100.2 68.5 -91.7 -36.6 21.9 6.1 6.2 85 85 A K H X S+ 0 0 80 -4,-2.8 4,-3.4 -7,-0.4 5,-0.2 0.905 98.1 50.2 -54.5 -47.8 21.1 2.8 7.8 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.894 113.4 48.6 -60.3 -40.1 19.9 0.9 4.7 87 87 A V H >> S+ 0 0 1 -4,-0.4 4,-0.8 2,-0.2 3,-0.5 0.975 113.1 45.6 -61.5 -53.4 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 32 -4,-2.6 3,-1.1 1,-0.3 -1,-0.2 0.900 111.7 53.2 -54.9 -43.5 25.3 0.9 5.8 89 89 A D H 3< S+ 0 0 76 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.820 106.4 53.4 -65.6 -28.6 23.4 -2.3 6.1 90 90 A S H << S+ 0 0 38 -4,-1.5 -1,-0.3 -3,-0.5 -2,-0.2 0.620 96.1 89.4 -80.7 -12.2 23.9 -3.1 2.5 91 91 A L S << S- 0 0 6 -3,-1.1 31,-0.0 -4,-0.8 2,-0.0 -0.524 74.6-116.8 -90.3 155.8 27.7 -2.6 2.5 92 92 A D > - 0 0 53 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.216 43.8 -92.6 -72.8 171.8 30.6 -4.9 3.2 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.898 122.4 46.9 -59.4 -43.6 32.9 -4.3 6.2 94 94 A V H > S+ 0 0 28 62,-0.2 4,-1.4 1,-0.2 3,-0.3 0.942 113.3 47.2 -66.7 -49.9 35.5 -2.3 4.5 95 95 A R H > S+ 0 0 26 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.868 104.7 60.2 -62.8 -32.8 33.0 -0.0 2.7 96 96 A R H X S+ 0 0 78 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.911 101.2 56.1 -59.1 -40.0 31.0 0.6 5.9 97 97 A A H X S+ 0 0 8 -4,-1.4 4,-2.4 -3,-0.3 -1,-0.2 0.904 103.2 54.0 -56.2 -42.7 34.2 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.890 109.1 48.6 -59.1 -40.0 34.3 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.906 109.8 51.8 -66.5 -40.5 30.8 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.926 106.8 53.3 -61.0 -45.3 31.7 6.0 8.9 101 101 A N H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-0.2 0.925 109.3 49.1 -56.3 -48.8 34.7 8.2 8.0 102 102 A M H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.908 111.8 47.6 -60.4 -42.1 32.5 10.5 6.0 103 103 A V H X S+ 0 0 11 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.895 109.5 54.2 -65.5 -36.4 30.0 10.8 8.8 104 104 A F H < S+ 0 0 32 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.905 115.6 40.0 -63.1 -37.2 32.8 11.5 11.2 105 105 A Q H < S+ 0 0 58 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.906 133.6 15.7 -77.0 -47.8 34.1 14.3 9.0 106 106 A M H X S- 0 0 52 -4,-2.6 4,-0.7 -5,-0.2 -3,-0.2 0.480 103.0-114.4-114.4 -2.5 30.9 16.0 7.9 107 107 A G H X - 0 0 29 -4,-2.1 4,-2.0 -5,-0.3 5,-0.2 0.144 36.2 -76.8 81.9 157.2 28.1 14.8 10.1 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.809 129.1 52.3 -54.6 -38.7 25.1 12.7 9.4 109 109 A T H > S+ 0 0 123 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.939 108.6 47.7 -65.2 -51.4 23.3 15.6 7.8 110 110 A G H < S+ 0 0 33 -4,-0.7 -2,-0.2 2,-0.2 -1,-0.2 0.823 115.9 44.5 -59.8 -42.0 26.0 16.5 5.4 111 111 A V H >< S+ 0 0 0 -4,-2.0 3,-3.0 1,-0.2 -1,-0.2 0.891 102.6 64.3 -70.6 -43.0 26.5 12.9 4.3 112 112 A A H 3< S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.854 93.9 67.9 -47.8 -34.9 22.7 12.4 4.1 113 113 A G T 3< S+ 0 0 63 -4,-1.2 3,-0.3 1,-0.3 2,-0.3 0.533 76.5 79.8 -65.0 -7.6 23.1 15.1 1.3 114 114 A F <> + 0 0 31 -3,-3.0 4,-2.9 1,-0.2 3,-0.3 -0.079 58.5 148.7 -93.7 46.3 24.9 12.8 -0.9 115 115 A A H > + 0 0 54 -2,-0.3 4,-2.2 1,-0.3 -1,-0.2 0.865 67.4 46.6 -44.8 -51.4 21.6 11.2 -1.9 116 116 A N H > S+ 0 0 95 -3,-0.3 4,-1.8 1,-0.2 -1,-0.3 0.896 114.4 48.0 -62.8 -40.3 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 0 -3,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.923 109.3 53.5 -65.6 -44.1 25.8 8.8 -4.4 118 118 A L H X S+ 0 0 13 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.900 107.4 51.1 -56.6 -44.2 24.2 6.8 -1.6 119 119 A R H X S+ 0 0 117 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.2 0.923 109.6 50.1 -63.6 -38.9 21.8 5.3 -3.9 120 120 A M H <>S+ 0 0 24 -4,-1.8 5,-2.0 1,-0.2 4,-0.3 0.907 110.3 50.5 -64.8 -39.5 24.6 4.2 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 -1,-0.2 0.919 107.6 52.1 -62.3 -44.0 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.849 109.4 50.9 -63.6 -31.5 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 88 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.457 113.0-121.4 -82.4 -2.1 23.1 -0.5 -5.9 124 124 A K T < 5 + 0 0 97 -3,-1.6 2,-1.2 -4,-0.3 -3,-0.2 0.771 62.7 145.1 64.1 34.6 26.8 -1.6 -5.8 125 125 A R >< + 0 0 113 -5,-2.0 4,-2.7 1,-0.2 5,-0.2 -0.753 21.7 173.1-100.4 76.3 27.7 0.6 -8.9 126 126 A W H > + 0 0 49 -2,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.896 68.1 46.9 -61.3 -46.7 31.1 1.3 -7.6 127 127 A D H > S+ 0 0 110 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.911 114.2 48.0 -65.7 -40.0 32.6 3.1 -10.3 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.905 110.1 51.9 -66.7 -41.2 29.6 5.3 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.7 4,-3.3 1,-0.2 5,-0.2 0.925 107.0 54.3 -58.6 -44.9 29.4 6.1 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.894 109.3 47.3 -58.3 -40.2 33.1 7.1 -7.2 131 131 A V H X S+ 0 0 95 -4,-1.8 4,-0.6 1,-0.2 3,-0.4 0.939 114.6 45.6 -69.2 -42.3 32.6 9.5 -9.9 132 132 A N H >< S+ 0 0 41 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.877 106.8 57.9 -66.2 -39.5 29.5 11.1 -8.4 133 133 A L H 3< S+ 0 0 2 -4,-3.3 6,-0.3 1,-0.2 -1,-0.2 0.847 100.8 60.7 -59.0 -30.5 31.1 11.3 -5.0 134 134 A A H 3< S+ 0 0 27 -4,-1.1 2,-1.9 -3,-0.4 -1,-0.2 0.692 84.7 78.4 -71.7 -19.4 33.9 13.4 -6.6 135 135 A K S << S+ 0 0 162 -3,-1.0 2,-0.3 -4,-0.6 -1,-0.2 -0.547 80.5 97.9 -87.1 70.8 31.6 16.1 -7.7 136 136 A S S > S- 0 0 17 -2,-1.9 4,-1.9 1,-0.1 5,-0.2 -0.995 84.6-115.2-153.6 155.6 31.3 17.7 -4.4 137 137 A R H > S+ 0 0 157 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.928 115.3 62.8 -55.6 -46.9 32.6 20.5 -2.3 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.918 106.0 43.9 -41.6 -53.4 34.0 17.8 0.0 139 139 A Y H 4 S+ 0 0 54 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.886 114.0 49.2 -66.4 -38.9 36.2 16.5 -2.8 140 140 A N H < S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.867 116.6 41.9 -71.2 -33.0 37.3 20.0 -3.9 141 141 A Q H < S+ 0 0 109 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.888 132.1 18.5 -82.5 -40.5 38.2 21.1 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.2 -0.565 73.6 161.6-128.2 69.3 40.0 18.0 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.813 68.2 54.4 -59.4 -35.9 40.8 16.1 -2.2 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.960 115.7 37.6 -68.3 -43.3 43.5 13.8 -0.7 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.926 115.8 54.5 -68.7 -43.6 41.4 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.3 1,-0.2 5,-0.2 0.931 107.1 50.3 -54.7 -48.8 38.4 12.4 -0.3 147 147 A K H X S+ 0 0 91 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.834 109.1 52.6 -58.8 -36.4 40.3 10.4 -2.8 148 148 A R H X S+ 0 0 70 -4,-1.4 4,-1.4 2,-0.2 12,-0.2 0.910 113.2 43.1 -67.9 -41.2 41.3 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.898 114.2 50.3 -69.3 -45.0 37.7 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-3.3 4,-2.5 -5,-0.2 -2,-0.2 0.893 109.0 52.9 -59.9 -40.8 36.4 7.2 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.1 4,-2.6 -5,-0.2 6,-0.3 0.881 106.8 53.3 -59.8 -39.4 39.1 4.6 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.6 1,-0.2 -1,-0.2 0.883 111.9 43.5 -63.7 -42.4 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 1 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.879 115.3 50.0 -70.7 -37.3 34.3 2.7 -1.8 154 154 A R H < S+ 0 0 106 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.911 126.6 23.0 -66.4 -44.7 35.4 1.9 -5.3 155 155 A T H < S- 0 0 46 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.679 85.0-135.9 -96.9 -27.5 37.5 -1.0 -4.4 156 156 A G S < S+ 0 0 14 -4,-2.6 2,-0.3 1,-0.3 -62,-0.2 0.655 73.6 100.3 75.0 16.5 36.3 -2.4 -1.1 157 157 A T S S- 0 0 49 -6,-0.3 3,-0.3 -5,-0.2 -1,-0.3 -0.797 79.1-122.7-125.9 172.4 40.0 -2.7 0.0 158 158 A W S >> S+ 0 0 42 -2,-0.3 3,-2.0 1,-0.2 4,-0.6 0.132 71.2 121.7-100.9 17.8 42.3 -0.6 2.2 159 159 A D G >4 + 0 0 95 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.828 66.3 61.5 -48.9 -37.6 44.8 -0.1 -0.5 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.710 106.4 49.5 -63.3 -22.0 44.5 3.7 -0.3 161 161 A Y G <4 0 0 19 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.464 360.0 360.0-100.2 -1.5 45.7 3.5 3.3 162 162 A K << 0 0 180 -3,-1.3 -2,-0.2 -4,-0.6 -3,-0.1 0.708 360.0 360.0-108.9 360.0 48.8 1.3 2.8