==== 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 155L . 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) . 8559.0 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 . 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 . 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 0.000 360.0 360.0 360.0 154.6 43.6 -1.9 9.0 2 2 A N > - 0 0 67 156,-0.0 4,-2.8 95,-0.0 3,-0.3 -0.936 360.0 -78.9-153.5 178.7 40.4 -0.8 10.7 3 3 A I H > S+ 0 0 26 -2,-0.3 4,-2.6 1,-0.3 5,-0.2 0.810 123.9 50.8 -55.4 -40.3 38.3 2.3 11.2 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.923 113.5 43.5 -67.0 -44.4 40.4 3.7 14.0 5 5 A E H > S+ 0 0 97 -3,-0.3 4,-1.6 2,-0.2 -2,-0.2 0.863 113.6 53.7 -68.3 -36.0 43.6 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.954 112.8 41.0 -64.1 -51.6 42.1 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 5,-0.4 0.822 108.8 59.5 -66.9 -29.6 40.8 7.8 10.8 8 8 A R H X S+ 0 0 102 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.902 108.2 48.4 -67.0 -30.1 43.9 8.3 12.9 9 9 A I H < S+ 0 0 85 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.939 115.4 43.3 -72.1 -42.5 45.7 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.809 125.7 29.2 -73.9 -31.9 43.2 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.3 19,-0.4 -5,-0.1 -1,-0.2 0.695 91.5-153.2-100.2 -25.8 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.201 25.8 -85.3 73.7-173.7 46.3 13.0 12.8 13 13 A L + 0 0 40 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.984 42.9 173.8-137.6 123.7 46.8 13.6 16.5 14 14 A R E -A 28 0A 133 14,-1.7 14,-2.6 -2,-0.4 4,-0.1 -0.998 17.5-164.7-134.0 129.9 47.3 17.0 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.402 73.5 62.0 -95.9 -1.1 47.4 17.5 21.8 16 16 A K E S-C 57 0B 88 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.934 101.3 -85.3-124.6 148.5 47.0 21.2 21.8 17 17 A I E + 0 0 18 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.224 59.1 170.8 -48.7 133.4 44.0 23.2 20.5 18 18 A Y E -A 26 0A 27 8,-3.0 8,-3.1 -4,-0.1 2,-0.5 -0.874 34.9-104.6-139.8 173.0 44.4 23.7 16.8 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.860 33.2-137.6-103.1 134.8 42.4 25.0 13.8 20 20 A D > - 0 0 47 4,-3.0 3,-1.9 -2,-0.5 -1,-0.1 -0.100 40.8 -81.4 -77.1-173.1 41.0 22.6 11.4 21 21 A T T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.705 134.9 49.1 -60.2 -23.6 41.0 22.9 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.310 124.4-103.9 -96.1 0.0 37.9 25.1 8.0 23 23 A G S < S+ 0 0 37 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.618 74.9 141.8 83.6 18.9 39.5 27.3 10.7 24 24 A Y - 0 0 77 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.760 58.8-102.2 -99.2 147.9 37.6 25.7 13.5 25 25 A Y E +AB 19 34A 34 9,-0.8 8,-3.2 11,-0.4 9,-1.5 -0.404 53.4 159.0 -66.2 124.5 38.9 24.9 16.9 26 26 A T E -AB 18 32A 4 -8,-3.1 -8,-3.0 6,-0.3 2,-0.3 -0.889 19.6-168.8-138.7 165.9 39.7 21.3 17.3 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.0 -2,-0.3 2,-0.2 -0.987 52.4 3.0-151.7 165.0 41.8 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.6 -14,-1.7 -2,-0.3 2,-0.9 -0.441 122.2 -5.8 69.3-130.3 43.0 15.4 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -2,-0.2 -16,-0.1 -0.708 127.8 -53.1-105.4 71.5 42.0 13.2 16.7 30 30 A G T 4 S+ 0 0 16 -2,-0.9 2,-1.0 -19,-0.4 -2,-0.2 0.749 83.7 159.9 69.8 25.5 39.8 15.4 14.8 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.8 32,-0.0 -1,-0.2 -0.679 33.3-143.0 -83.9 105.0 37.5 16.3 17.7 32 32 A L E -B 26 0A 68 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.391 18.9-176.5 -66.1 129.9 35.8 19.6 16.8 33 33 A L E - 0 0 14 -8,-3.2 2,-0.3 1,-0.4 -7,-0.2 0.869 58.2 -26.8 -93.6 -43.3 35.4 21.8 19.8 34 34 A T E -B 25 0A 29 -9,-1.5 -9,-0.8 2,-0.1 -1,-0.4 -0.934 33.5-137.7-169.5 152.4 33.4 24.6 18.4 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.440 74.1 111.4 -93.1 -4.8 32.6 26.6 15.4 36 36 A S S S- 0 0 41 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.419 72.4-132.1 -74.5 144.4 32.9 29.8 17.3 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.638 76.7 101.0 -69.1 -13.8 35.7 32.1 16.6 38 38 A S > - 0 0 45 1,-0.1 4,-1.7 -13,-0.0 3,-0.2 -0.670 58.9-156.9 -87.0 125.4 36.6 32.5 20.3 39 39 A L H > S+ 0 0 65 -2,-0.5 4,-2.2 1,-0.3 -1,-0.1 0.690 95.7 56.1 -67.0 -22.2 39.4 30.5 21.8 40 40 A N H > S+ 0 0 114 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.878 103.7 51.0 -77.7 -38.9 37.9 30.9 25.1 41 41 A A H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.892 110.8 51.3 -60.4 -38.4 34.8 29.4 24.1 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.898 110.4 48.2 -62.8 -43.2 37.0 26.6 22.7 43 43 A K H X S+ 0 0 53 -4,-2.2 4,-2.4 1,-0.2 11,-0.2 0.867 109.8 52.7 -67.4 -33.7 38.8 26.2 25.9 44 44 A S H X S+ 0 0 71 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.928 109.8 46.9 -69.0 -41.3 35.6 26.1 27.8 45 45 A E H X S+ 0 0 64 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.907 111.0 54.6 -65.6 -38.7 34.2 23.4 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 5,-0.4 0.956 107.6 47.3 -60.4 -47.4 37.4 21.5 26.0 47 47 A D H X>S+ 0 0 32 -4,-2.4 4,-2.7 1,-0.2 5,-0.8 0.917 111.8 50.6 -61.1 -39.7 37.3 21.5 29.7 48 48 A K H <5S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.856 111.3 49.3 -66.9 -32.7 33.7 20.4 29.8 49 49 A A H <5S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.876 121.0 34.4 -72.8 -35.0 34.5 17.5 27.4 50 50 A I H <5S- 0 0 37 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.752 102.3-128.9 -90.1 -33.4 37.5 16.3 29.4 51 51 A G T <5S+ 0 0 64 -4,-2.7 2,-0.3 -5,-0.4 -3,-0.2 0.752 74.3 74.5 89.1 22.7 36.2 17.1 32.8 52 52 A R S - 0 0 7 -2,-1.0 3,-1.1 -11,-0.2 -1,-0.2 0.697 33.2-143.3 -94.6 -24.3 42.9 21.8 30.9 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.862 73.3 -59.1 63.9 28.6 44.3 25.1 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.540 116.8 99.1 78.0 4.5 44.0 23.9 26.0 57 57 A V B < +C 16 0B 70 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.972 45.6 177.2-127.2 135.9 46.3 21.0 26.4 58 58 A I - 0 0 5 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.789 27.3-111.4-127.4 172.1 45.3 17.3 26.8 59 59 A T > - 0 0 63 -2,-0.3 4,-2.2 1,-0.1 3,-0.2 -0.539 32.9-102.8 -98.5 174.4 47.2 14.1 27.1 60 60 A K H > S+ 0 0 105 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.906 121.7 52.0 -62.8 -43.6 47.3 11.2 24.6 61 61 A D H > S+ 0 0 116 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.869 109.0 50.5 -61.3 -39.0 45.0 9.1 26.7 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.912 110.1 51.3 -62.7 -42.2 42.4 11.9 26.8 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -34,-0.4 0.894 110.6 47.4 -61.7 -43.1 42.6 12.3 23.1 64 64 A E H X S+ 0 0 74 -4,-2.4 4,-2.9 2,-0.2 -1,-0.2 0.810 108.1 56.3 -69.9 -30.1 42.0 8.6 22.5 65 65 A K H X S+ 0 0 139 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.955 109.0 44.8 -67.7 -44.0 39.1 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.898 112.4 55.3 -61.9 -37.7 37.4 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-1.8 4,-2.2 -5,-0.2 5,-0.3 0.949 105.9 49.0 -62.4 -49.2 38.3 9.5 19.8 68 68 A N H X S+ 0 0 89 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.924 113.2 48.5 -56.3 -41.1 36.6 6.3 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.923 111.0 49.9 -64.6 -44.0 33.5 8.3 21.9 70 70 A D H X S+ 0 0 35 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.845 112.1 46.0 -65.8 -35.3 33.4 10.1 18.6 71 71 A V H X S+ 0 0 6 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.929 113.2 50.4 -72.0 -44.2 33.7 6.8 16.5 72 72 A D H X S+ 0 0 86 -4,-2.5 4,-2.6 -5,-0.3 5,-0.3 0.933 111.2 49.2 -56.4 -44.7 31.1 5.2 18.7 73 73 A A H X S+ 0 0 44 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.867 108.3 53.4 -64.8 -35.1 28.7 8.1 18.2 74 74 A A H X S+ 0 0 8 -4,-1.5 4,-2.3 2,-0.2 5,-0.2 0.958 110.3 46.3 -65.2 -49.1 29.2 8.1 14.4 75 75 A V H X S+ 0 0 33 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.944 114.9 47.2 -57.9 -47.5 28.3 4.4 14.1 76 76 A R H X S+ 0 0 123 -4,-2.6 4,-1.0 -5,-0.2 -1,-0.2 0.913 109.1 54.5 -66.3 -34.7 25.3 4.9 16.3 77 77 A G H X S+ 0 0 1 -4,-2.4 4,-0.6 -5,-0.3 3,-0.5 0.912 108.0 49.6 -64.4 -39.5 24.3 8.0 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.3 3,-1.4 1,-0.2 7,-0.4 0.939 108.6 54.1 -62.5 -44.7 24.4 6.0 11.1 79 79 A L H 3< S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.707 110.5 45.1 -68.5 -14.9 22.3 3.3 12.6 80 80 A R H 3< S+ 0 0 176 -4,-1.0 2,-0.5 -3,-0.5 -1,-0.3 0.432 91.1 97.6-100.9 -7.3 19.7 5.7 13.6 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 3,-0.5 0.849 99.3 68.1 -89.3 -39.8 22.0 6.1 6.2 85 85 A K H X S+ 0 0 85 -4,-2.8 4,-2.9 -7,-0.4 5,-0.2 0.868 98.7 50.6 -50.7 -45.6 21.2 2.8 7.9 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.4 0, 0.0 -1,-0.3 0.881 110.8 50.2 -66.3 -31.9 20.1 1.0 4.8 87 87 A V H > S+ 0 0 2 -3,-0.5 4,-0.8 -4,-0.4 3,-0.3 0.959 112.0 46.8 -68.1 -50.3 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 32 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.925 109.7 53.9 -55.4 -46.0 25.4 0.8 5.7 89 89 A D H 3< S+ 0 0 77 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.851 106.3 54.3 -60.9 -31.9 23.5 -2.4 6.0 90 90 A S H 3< S+ 0 0 36 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.685 96.5 86.6 -75.3 -18.4 24.0 -3.1 2.4 91 91 A L S << S- 0 0 6 -3,-1.2 31,-0.0 -4,-0.8 30,-0.0 -0.512 74.5-114.8 -90.5 162.0 27.8 -2.7 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.197 44.9 -93.1 -77.4 171.2 30.8 -4.9 3.1 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.883 121.3 49.0 -56.8 -42.8 33.1 -4.3 6.1 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.5 62,-0.2 3,-0.3 0.955 112.7 45.2 -63.2 -52.4 35.6 -2.2 4.2 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.824 105.6 61.5 -65.1 -28.0 33.2 0.1 2.6 96 96 A R H X S+ 0 0 80 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.924 102.6 53.4 -62.3 -39.6 31.3 0.5 5.9 97 97 A A H X S+ 0 0 8 -4,-1.6 4,-2.3 -3,-0.3 -2,-0.2 0.896 105.0 54.3 -59.3 -41.1 34.5 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 1,-0.2 -1,-0.2 0.888 109.7 47.0 -60.9 -39.7 34.5 4.4 4.4 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.915 109.2 52.9 -70.0 -40.6 31.0 5.6 5.3 100 100 A I H X S+ 0 0 9 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.944 107.0 55.0 -59.1 -39.9 31.8 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.956 107.5 47.9 -57.4 -47.2 34.8 8.1 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-2.8 1,-0.2 5,-0.4 0.900 112.3 49.0 -62.7 -40.7 32.7 10.5 6.0 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.916 108.2 54.0 -67.0 -38.0 30.2 10.8 8.9 104 104 A F H < S+ 0 0 33 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.938 116.2 40.1 -59.3 -41.4 32.9 11.4 11.4 105 105 A Q H < S+ 0 0 59 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.898 132.3 16.2 -73.7 -45.6 34.1 14.2 9.2 106 106 A M H X S- 0 0 54 -4,-2.8 4,-0.7 -5,-0.2 -3,-0.2 0.430 101.8-113.5-117.1 -1.0 31.0 15.9 8.0 107 107 A G H X - 0 0 31 -4,-2.1 4,-2.3 -5,-0.4 5,-0.2 0.179 33.8 -81.0 83.6 156.0 28.2 14.7 10.2 108 108 A E H > S+ 0 0 53 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.837 126.7 54.5 -66.6 -31.7 25.3 12.7 9.4 109 109 A T H > S+ 0 0 122 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.934 108.3 50.2 -67.0 -43.0 23.3 15.4 7.9 110 110 A G H < S+ 0 0 30 -4,-0.7 3,-0.5 1,-0.2 -2,-0.2 0.913 114.1 43.8 -62.2 -45.5 26.1 16.3 5.6 111 111 A V H >< S+ 0 0 1 -4,-2.3 3,-2.4 1,-0.2 -1,-0.2 0.906 104.9 60.7 -68.3 -39.9 26.5 12.7 4.4 112 112 A A H 3< S+ 0 0 13 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.788 94.6 70.8 -58.6 -20.7 22.8 12.1 4.1 113 113 A G T 3< S+ 0 0 61 -4,-1.0 2,-1.1 -3,-0.5 3,-0.3 0.555 75.8 79.1 -69.1 -10.3 23.0 15.0 1.6 114 114 A F <> + 0 0 36 -3,-2.4 4,-2.3 1,-0.2 5,-0.2 -0.330 60.1 156.6 -94.8 56.8 24.8 12.9 -1.0 115 115 A A H > + 0 0 59 -2,-1.1 4,-1.6 1,-0.2 -1,-0.2 0.854 65.6 46.6 -54.2 -44.1 21.5 11.3 -2.0 116 116 A N H > S+ 0 0 95 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.918 112.5 47.2 -67.5 -44.3 22.5 10.2 -5.3 117 117 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.876 109.4 57.4 -63.6 -36.4 25.9 8.7 -4.5 118 118 A L H X S+ 0 0 13 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.919 106.7 47.2 -62.1 -41.9 24.2 6.9 -1.6 119 119 A R H X S+ 0 0 127 -4,-1.6 4,-2.1 -5,-0.2 -1,-0.2 0.919 112.0 51.5 -66.2 -38.4 21.7 5.2 -3.9 120 120 A M H <>S+ 0 0 28 -4,-1.9 5,-2.2 1,-0.2 4,-0.3 0.857 108.9 49.4 -69.0 -37.0 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.6 2,-0.2 -1,-0.2 0.917 109.1 52.5 -66.6 -39.5 26.4 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 89 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.908 109.4 50.1 -63.8 -33.7 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 85 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.480 113.6-120.9 -81.1 -1.7 23.1 -0.5 -5.9 124 124 A K T < 5 + 0 0 102 -3,-1.6 2,-1.3 -4,-0.3 -3,-0.2 0.758 62.9 145.8 67.3 31.4 26.8 -1.5 -5.9 125 125 A R >< + 0 0 111 -5,-2.2 4,-2.3 1,-0.2 5,-0.2 -0.678 20.8 173.5-100.2 78.9 27.6 0.7 -8.8 126 126 A W H > + 0 0 48 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.887 69.1 46.1 -55.1 -53.7 31.2 1.6 -7.5 127 127 A D H > S+ 0 0 108 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.924 114.4 48.6 -62.4 -42.6 32.6 3.5 -10.3 128 128 A E H > S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.909 110.0 50.2 -66.4 -41.5 29.6 5.6 -10.7 129 129 A A H X S+ 0 0 1 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.907 108.3 55.4 -61.0 -39.0 29.3 6.5 -7.1 130 130 A A H X S+ 0 0 12 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.874 108.0 47.4 -63.5 -37.9 32.9 7.5 -7.1 131 131 A V H X S+ 0 0 92 -4,-1.8 4,-0.6 1,-0.2 -1,-0.2 0.919 113.1 48.1 -70.9 -41.5 32.5 9.9 -9.8 132 132 A N H >< S+ 0 0 40 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.911 107.6 55.5 -63.3 -42.5 29.5 11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.2 6,-0.4 1,-0.3 -1,-0.2 0.860 100.8 60.6 -59.1 -32.3 31.2 11.7 -4.8 134 134 A A H 3< S+ 0 0 29 -4,-1.2 2,-1.5 -5,-0.2 -1,-0.3 0.695 86.2 77.2 -71.0 -18.8 34.0 13.7 -6.4 135 135 A K S << S+ 0 0 164 -3,-1.4 2,-0.3 -4,-0.6 -1,-0.2 -0.543 80.3 95.1 -91.8 74.1 31.7 16.4 -7.5 136 136 A S S > S- 0 0 19 -2,-1.5 4,-2.1 1,-0.1 5,-0.2 -0.988 85.4-112.6-154.8 157.8 31.3 18.0 -4.1 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.906 116.0 64.0 -60.0 -38.8 32.7 20.8 -2.1 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.949 105.2 42.2 -50.0 -53.9 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.920 115.1 50.6 -63.4 -41.5 36.3 16.7 -2.6 140 140 A N H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.862 115.6 42.0 -66.4 -34.2 37.4 20.2 -3.8 141 141 A Q H < S+ 0 0 107 -4,-3.3 -2,-0.2 1,-0.2 -1,-0.2 0.878 131.9 19.1 -80.3 -41.4 38.3 21.3 -0.2 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.6 -5,-0.3 -1,-0.2 -0.592 74.0 162.2-130.0 71.1 40.1 18.1 1.0 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.846 68.5 51.1 -59.4 -41.2 40.9 16.4 -2.1 144 144 A N H > S+ 0 0 105 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.922 115.9 41.0 -69.4 -40.9 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.938 115.6 51.3 -68.2 -46.3 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.918 107.4 53.7 -56.0 -45.0 38.5 12.6 -0.2 147 147 A K H X S+ 0 0 90 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.849 107.6 51.1 -57.5 -38.5 40.4 10.6 -2.8 148 148 A R H X S+ 0 0 71 -4,-1.4 4,-1.6 -3,-0.3 12,-0.2 0.932 112.7 44.8 -65.0 -45.1 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.919 113.0 51.0 -64.4 -47.7 37.8 7.6 1.0 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.5 -5,-0.3 -1,-0.2 0.890 108.5 50.9 -60.0 -39.6 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.0 4,-3.0 -5,-0.2 6,-0.4 0.865 106.9 55.8 -64.8 -35.8 39.1 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.905 111.0 43.3 -62.5 -41.7 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.902 115.8 49.6 -69.7 -40.5 34.4 2.8 -1.9 154 154 A R H < S+ 0 0 99 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.922 125.5 23.9 -64.8 -45.2 35.5 2.1 -5.4 155 155 A T H < S- 0 0 45 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.661 84.7-136.0 -95.2 -28.1 37.6 -0.8 -4.6 156 156 A G S < S+ 0 0 17 -4,-2.6 2,-0.3 -5,-0.3 -62,-0.2 0.721 73.4 101.3 74.1 18.6 36.5 -2.3 -1.3 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.831 78.9-121.9-128.5 170.3 40.1 -2.6 -0.2 158 158 A W S >> S+ 0 0 43 -2,-0.3 3,-2.3 1,-0.2 4,-0.6 0.142 72.2 119.5 -93.9 12.7 42.4 -0.6 2.1 159 159 A D G >4 + 0 0 92 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.831 65.0 62.0 -51.5 -34.3 45.0 0.1 -0.6 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.688 108.7 44.8 -65.8 -18.3 44.6 3.8 -0.4 161 161 A Y G <4 0 0 19 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.446 360.0 360.0-108.3 -1.0 45.8 3.7 3.1 162 162 A K << 0 0 178 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.865 360.0 360.0 -96.6 360.0 48.7 1.3 2.7