==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-OCT-97 239L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8521.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 119 73.5 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 . 11 6.8 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 80 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 145.2 43.8 -1.9 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.9 95,-0.0 5,-0.2 -0.892 360.0 -79.1-152.8 179.4 40.6 -0.8 10.6 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-3.2 1,-0.2 5,-0.2 0.829 123.1 50.4 -58.0 -39.9 38.5 2.3 11.1 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 114.7 44.1 -66.0 -43.1 40.5 3.7 14.0 5 5 A E H > S+ 0 0 91 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.876 113.6 52.2 -65.4 -42.7 43.7 3.3 12.1 6 6 A M H X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-0.3 0.954 113.6 41.6 -58.3 -54.6 42.1 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-3.2 4,-2.4 1,-0.2 5,-0.3 0.825 108.2 60.3 -67.0 -28.8 40.8 7.7 10.8 8 8 A R H X S+ 0 0 99 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.876 107.4 47.5 -64.6 -34.0 44.0 8.2 12.7 9 9 A I H < S+ 0 0 91 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.2 0.925 114.6 45.2 -70.4 -44.4 45.8 8.6 9.4 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.873 124.2 31.5 -67.9 -35.5 43.2 11.0 8.0 11 11 A E H < S- 0 0 45 -4,-2.4 19,-0.3 -5,-0.2 -2,-0.2 0.755 89.9-152.6 -95.2 -31.7 43.0 13.2 11.1 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.226 26.2 -84.1 80.5-174.2 46.4 13.2 12.7 13 13 A L + 0 0 44 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.938 44.4 170.3-139.6 113.2 46.9 13.7 16.4 14 14 A R E -A 28 0A 124 14,-2.0 14,-2.7 -2,-0.4 4,-0.1 -0.988 16.6-170.2-126.7 121.8 47.2 17.2 18.1 15 15 A L E S+ 0 0 60 -2,-0.4 43,-2.6 12,-0.2 2,-0.4 0.474 73.4 66.0 -88.6 -5.5 47.3 17.6 21.7 16 16 A K E S-C 57 0B 97 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.956 99.0 -94.4-124.4 133.8 47.0 21.3 21.6 17 17 A A E + 0 0 14 39,-1.6 2,-0.3 -2,-0.4 10,-0.2 -0.192 55.9 164.9 -47.7 128.4 43.9 23.2 20.2 18 18 A Y E -A 26 0A 27 8,-2.4 8,-2.8 -4,-0.1 2,-0.5 -0.846 37.1 -98.3-140.6 172.0 44.3 24.0 16.7 19 19 A K E -A 25 0A 120 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.850 33.4-132.2-105.3 141.2 42.3 25.1 13.8 20 20 A D > - 0 0 48 4,-3.1 3,-1.9 -2,-0.5 -1,-0.1 0.073 39.3 -83.5 -70.4-176.8 40.9 22.8 11.3 21 21 A T T 3 S+ 0 0 99 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.338 136.5 44.4 -69.3 -4.0 41.0 23.1 7.3 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.127 126.9-103.6-121.4 1.6 37.9 25.2 7.7 23 23 A G S < S+ 0 0 31 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.592 72.5 142.6 80.7 16.5 39.4 27.2 10.6 24 24 A Y - 0 0 70 1,-0.1 -4,-3.1 9,-0.0 2,-0.3 -0.683 59.2-101.9 -94.4 148.5 37.5 25.6 13.5 25 25 A Y E +AB 19 34A 32 9,-1.0 8,-3.3 -2,-0.4 9,-1.4 -0.434 54.1 158.9 -68.5 125.6 38.8 24.8 16.7 26 26 A T E -AB 18 32A 3 -8,-2.8 -8,-2.4 -2,-0.3 2,-0.3 -0.827 16.5-174.4-137.1 171.3 39.6 21.2 17.0 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.5 -2,-0.3 2,-0.2 -0.966 50.7 9.3-163.1 162.9 41.8 19.0 19.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.7 -14,-2.0 -2,-0.3 2,-0.8 -0.411 123.4 -9.4 69.4-130.2 42.9 15.4 19.4 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.731 129.1 -51.0-105.3 74.2 42.1 13.1 16.5 30 30 A G T 4 S+ 0 0 15 -2,-0.8 2,-1.0 -19,-0.3 -2,-0.2 0.801 84.2 162.1 64.8 35.6 39.8 15.4 14.7 31 31 A H E < -B 27 0A 34 -4,-2.5 -4,-1.4 -20,-0.1 2,-0.2 -0.735 30.9-143.7 -91.9 108.5 37.6 16.3 17.6 32 32 A L E +B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.376 21.3 178.5 -64.7 128.8 35.7 19.5 16.8 33 33 A L E - 0 0 14 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.874 58.0 -21.6-101.8 -36.0 35.3 21.7 19.6 34 34 A T E -B 25 0A 26 -9,-1.4 -9,-1.0 1,-0.1 -1,-0.4 -0.958 33.1-143.3-168.7 152.5 33.4 24.7 18.3 35 35 A K S S+ 0 0 137 -2,-0.3 -10,-0.2 -11,-0.2 -1,-0.1 0.912 73.2 105.9 -83.8 -47.3 32.7 26.6 15.2 36 36 A S S S- 0 0 47 1,-0.2 -11,-0.3 -12,-0.1 6,-0.1 0.129 78.7-127.6 -37.0 126.5 32.8 29.9 17.0 37 37 A P S S+ 0 0 116 0, 0.0 2,-0.6 0, 0.0 -1,-0.2 0.377 77.1 111.0 -59.6 -3.0 35.9 31.9 16.2 38 38 A S > - 0 0 49 1,-0.1 4,-1.9 2,-0.0 3,-0.1 -0.783 53.3-162.4 -94.6 123.2 36.5 32.2 20.0 39 39 A L H > S+ 0 0 63 -2,-0.6 4,-2.4 1,-0.3 -1,-0.1 0.659 95.0 53.4 -66.7 -21.2 39.4 30.4 21.7 40 40 A N H > S+ 0 0 107 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.870 105.7 50.6 -84.1 -32.1 37.9 30.8 24.9 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.899 112.6 51.0 -63.3 -34.9 34.8 29.3 23.8 42 42 A A H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.918 109.3 47.3 -62.9 -50.3 37.1 26.6 22.6 43 43 A K H X S+ 0 0 61 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.848 110.9 54.9 -62.8 -34.5 38.8 26.2 25.8 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.974 109.5 44.3 -67.2 -47.7 35.5 26.2 27.5 45 45 A E H X S+ 0 0 65 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.897 111.6 57.3 -59.8 -40.5 34.1 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 5,-0.3 0.933 107.1 43.1 -59.9 -47.7 37.3 21.6 25.9 47 47 A D H X>S+ 0 0 30 -4,-2.4 4,-2.9 1,-0.2 5,-1.0 0.894 112.6 55.4 -66.0 -33.8 37.3 21.6 29.6 48 48 A K H <5S+ 0 0 143 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.870 110.0 46.0 -63.6 -40.1 33.7 20.6 29.5 49 49 A A H <5S+ 0 0 45 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.863 122.5 34.7 -70.6 -37.5 34.5 17.6 27.3 50 50 A I H <5S- 0 0 38 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.756 103.3-127.3 -88.9 -30.5 37.5 16.4 29.4 51 51 A G T <5S+ 0 0 66 -4,-2.9 2,-0.3 -5,-0.3 -3,-0.2 0.789 72.3 70.7 87.3 29.4 36.2 17.3 32.7 52 52 A R S - 0 0 9 -2,-1.4 3,-0.9 -11,-0.2 -1,-0.2 0.755 32.2-144.9 -76.7 -35.2 42.8 21.9 30.6 55 55 A N T 3 S- 0 0 129 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.882 74.1 -59.9 64.5 35.2 44.4 25.2 29.5 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.572 116.6 103.1 70.1 10.6 43.9 24.0 25.8 57 57 A V B < -C 16 0B 66 -3,-0.9 2,-0.3 -41,-0.2 -41,-0.2 -0.972 45.6-176.6-130.8 143.6 46.0 21.0 26.2 58 58 A I - 0 0 3 -43,-2.6 2,-0.1 -2,-0.4 -30,-0.1 -0.849 24.3-117.1-129.2 162.9 45.2 17.4 26.5 59 59 A T > - 0 0 65 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.469 33.7-106.1 -90.4 171.9 47.1 14.3 27.0 60 60 A K H > S+ 0 0 103 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.917 122.1 53.6 -59.9 -50.3 47.3 11.3 24.5 61 61 A D H > S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.899 109.9 47.7 -51.0 -46.9 45.0 9.2 26.8 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.949 111.0 50.8 -60.0 -50.0 42.6 12.0 26.7 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-1.8 1,-0.3 -34,-0.4 0.902 110.7 48.5 -55.4 -44.8 42.8 12.4 23.0 64 64 A E H X S+ 0 0 77 -4,-3.3 4,-2.2 1,-0.2 -1,-0.3 0.810 107.1 57.2 -67.1 -30.7 42.2 8.7 22.5 65 65 A K H X S+ 0 0 136 -4,-1.7 4,-2.1 -5,-0.3 -2,-0.2 0.945 106.7 46.7 -67.8 -45.1 39.3 8.8 24.9 66 66 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.867 111.5 54.4 -61.5 -36.5 37.5 11.5 22.8 67 67 A F H X S+ 0 0 15 -4,-1.8 4,-2.6 -5,-0.2 5,-0.3 0.912 105.0 51.5 -64.7 -43.8 38.2 9.5 19.7 68 68 A N H X S+ 0 0 92 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.949 111.7 48.9 -58.1 -45.5 36.7 6.3 21.1 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.940 112.4 47.1 -60.1 -46.0 33.6 8.3 21.9 70 70 A D H X S+ 0 0 35 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.839 109.9 50.3 -66.6 -38.0 33.4 9.9 18.5 71 71 A V H X S+ 0 0 9 -4,-2.6 4,-2.2 2,-0.2 5,-0.2 0.948 112.7 49.1 -65.8 -44.8 33.8 6.8 16.6 72 72 A D H X S+ 0 0 88 -4,-2.5 4,-2.3 -5,-0.3 5,-0.3 0.926 110.3 50.0 -58.3 -44.9 31.1 5.2 18.7 73 73 A A H X S+ 0 0 46 -4,-2.8 4,-2.4 -5,-0.2 -1,-0.2 0.875 107.7 55.4 -63.1 -33.1 28.8 8.1 18.1 74 74 A A H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.949 109.4 45.1 -66.0 -46.8 29.4 8.0 14.4 75 75 A V H X S+ 0 0 34 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.935 115.1 46.7 -61.3 -46.0 28.4 4.3 14.1 76 76 A R H X S+ 0 0 114 -4,-2.3 4,-1.3 1,-0.2 -1,-0.2 0.905 109.7 55.5 -63.9 -36.5 25.3 4.8 16.3 77 77 A G H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.3 3,-0.3 0.927 109.0 47.1 -60.9 -42.1 24.4 7.9 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.2 7,-0.6 1,-0.2 3,-0.5 0.956 111.6 49.8 -62.0 -48.8 24.5 5.9 11.1 79 79 A L H 3< S+ 0 0 74 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.681 112.9 48.9 -65.3 -19.8 22.4 3.1 12.5 80 80 A R H 3< S+ 0 0 169 -4,-1.3 2,-0.4 -3,-0.3 -1,-0.3 0.679 92.9 95.3 -87.3 -29.3 19.9 5.7 13.8 81 81 A N S+ 0 0 0 -6,-0.2 4,-3.4 -7,-0.2 5,-0.2 0.847 98.5 69.6 -86.9 -37.4 22.2 5.9 6.2 85 85 A K H X S+ 0 0 84 -4,-2.6 4,-3.5 -7,-0.6 5,-0.2 0.863 100.6 46.1 -49.7 -49.7 21.4 2.6 7.8 86 86 A P H > S+ 0 0 53 0, 0.0 4,-1.5 0, 0.0 -1,-0.3 0.866 113.0 51.1 -67.8 -35.2 20.3 0.8 4.8 87 87 A V H >> S+ 0 0 2 -4,-0.5 4,-1.0 2,-0.2 3,-0.8 0.987 113.6 45.1 -63.2 -51.9 23.3 2.0 2.9 88 88 A Y H >< S+ 0 0 32 -4,-3.4 3,-1.3 1,-0.3 -1,-0.2 0.927 110.5 54.0 -52.3 -49.3 25.4 0.8 5.6 89 89 A D H 3< S+ 0 0 73 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.795 106.6 52.8 -58.8 -30.3 23.6 -2.5 5.9 90 90 A S H << S+ 0 0 35 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.681 96.1 90.9 -79.7 -19.6 24.1 -3.2 2.3 91 91 A L S << S- 0 0 5 -3,-1.3 2,-0.1 -4,-1.0 31,-0.0 -0.454 73.0-120.8 -82.2 156.4 27.9 -2.7 2.4 92 92 A D > - 0 0 54 -2,-0.1 4,-2.1 1,-0.0 5,-0.2 -0.233 46.0 -90.2 -78.8 174.7 30.8 -5.0 3.0 93 93 A A H > S+ 0 0 79 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.837 121.1 48.1 -61.1 -40.8 33.2 -4.3 5.8 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.6 1,-0.2 3,-0.2 0.953 113.0 47.2 -67.3 -47.0 35.7 -2.1 4.1 95 95 A R H > S+ 0 0 26 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.885 106.1 58.7 -64.1 -34.8 33.2 0.1 2.5 96 96 A R H X S+ 0 0 77 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.922 102.6 55.0 -58.1 -41.1 31.3 0.4 5.8 97 97 A A H X S+ 0 0 8 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.905 105.0 53.5 -57.4 -39.8 34.5 1.8 7.2 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.891 108.0 49.7 -65.0 -35.6 34.5 4.4 4.4 99 99 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.939 108.3 52.1 -70.5 -39.5 31.0 5.5 5.3 100 100 A I H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.934 107.3 54.8 -60.8 -40.1 31.9 5.8 8.9 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.941 107.6 47.7 -59.1 -46.7 34.8 8.0 7.9 102 102 A M H X S+ 0 0 3 -4,-2.2 4,-2.6 1,-0.2 5,-0.4 0.937 113.0 50.4 -60.4 -42.2 32.7 10.4 6.0 103 103 A V H X S+ 0 0 7 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.890 107.3 52.4 -64.0 -39.0 30.3 10.5 8.9 104 104 A F H < S+ 0 0 28 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.8 42.1 -61.1 -42.7 33.0 11.2 11.4 105 105 A Q H < S+ 0 0 63 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.916 130.7 15.8 -71.5 -50.1 34.2 14.2 9.3 106 106 A M H X S- 0 0 57 -4,-2.6 4,-0.6 -5,-0.2 -3,-0.2 0.513 104.7-108.7-110.0 -4.7 31.0 15.9 8.1 107 107 A G H X - 0 0 30 -4,-1.7 4,-2.5 -5,-0.4 5,-0.2 0.099 32.5 -83.9 88.5 153.3 28.3 14.6 10.3 108 108 A E H > S+ 0 0 54 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.831 127.8 54.1 -61.2 -36.3 25.4 12.4 9.6 109 109 A T H > S+ 0 0 119 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.920 107.1 50.2 -68.5 -41.1 23.4 15.2 8.2 110 110 A G H >< S+ 0 0 31 -4,-0.6 3,-0.8 1,-0.2 -2,-0.2 0.945 115.5 42.6 -62.4 -45.9 26.1 16.2 5.8 111 111 A V H >< S+ 0 0 0 -4,-2.5 3,-3.0 1,-0.3 -2,-0.2 0.893 102.3 64.2 -70.5 -38.0 26.4 12.7 4.5 112 112 A A H 3< S+ 0 0 10 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.762 95.9 69.0 -56.5 -19.0 22.7 11.9 4.4 113 113 A G T << S+ 0 0 51 -3,-0.8 2,-1.7 -4,-0.7 3,-0.3 0.580 72.2 83.3 -76.2 -14.7 22.9 14.7 1.8 114 114 A F <> + 0 0 36 -3,-3.0 4,-3.0 1,-0.2 5,-0.3 -0.294 57.1 158.0 -87.1 54.7 24.8 12.7 -0.8 115 115 A T H > + 0 0 79 -2,-1.7 4,-1.7 1,-0.3 -1,-0.2 0.855 65.9 45.0 -44.6 -47.3 21.6 11.3 -1.9 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.913 113.5 46.8 -70.6 -41.0 22.7 10.4 -5.2 117 117 A S H > S+ 0 0 0 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.872 109.9 56.9 -65.0 -40.4 25.9 8.8 -4.3 118 118 A L H X S+ 0 0 13 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.899 106.4 48.9 -58.0 -42.7 24.2 6.9 -1.5 119 119 A R H X S+ 0 0 117 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.912 110.7 50.3 -66.2 -40.9 21.8 5.4 -4.0 120 120 A M H <>S+ 0 0 21 -4,-1.7 5,-2.4 2,-0.2 -1,-0.2 0.859 110.2 50.4 -66.9 -37.3 24.6 4.4 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.8 1,-0.2 -2,-0.2 0.924 108.6 52.0 -67.6 -40.5 26.5 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 97 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.867 109.8 49.3 -61.9 -35.4 23.4 0.9 -2.4 123 123 A Q T 3<5S- 0 0 95 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.420 113.1-120.4 -81.4 -1.4 23.1 -0.3 -5.9 124 124 A K T < 5 + 0 0 96 -3,-1.8 2,-1.3 -4,-0.2 -3,-0.2 0.738 62.5 146.6 64.5 29.3 26.8 -1.4 -6.0 125 125 A R >< + 0 0 114 -5,-2.4 4,-2.8 1,-0.2 5,-0.2 -0.638 21.5 174.5 -95.4 75.9 27.6 0.9 -8.9 126 126 A W H > S+ 0 0 50 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.865 70.1 44.6 -50.8 -55.8 31.2 1.6 -7.6 127 127 A D H > S+ 0 0 107 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.913 115.8 48.4 -62.6 -41.3 32.7 3.5 -10.4 128 128 A E H > S+ 0 0 98 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 110.3 49.6 -67.4 -44.3 29.6 5.7 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.922 109.1 55.1 -60.7 -38.0 29.3 6.5 -7.2 130 130 A A H X S+ 0 0 10 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.895 107.9 48.0 -61.5 -41.0 33.1 7.4 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.8 4,-0.5 1,-0.2 3,-0.5 0.966 112.8 47.9 -63.1 -49.2 32.6 9.9 -9.8 132 132 A N H >< S+ 0 0 40 -4,-2.2 3,-1.0 1,-0.2 -2,-0.2 0.827 105.6 57.7 -59.8 -40.4 29.6 11.4 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.4 1,-0.2 -1,-0.2 0.875 99.8 61.3 -58.0 -37.3 31.3 11.7 -4.8 134 134 A A H 3< S+ 0 0 29 -4,-1.3 2,-1.7 -3,-0.5 -1,-0.2 0.661 85.7 78.4 -65.2 -22.1 34.0 13.8 -6.5 135 135 A K S << S+ 0 0 161 -3,-1.0 2,-0.4 -4,-0.5 -1,-0.2 -0.500 80.3 95.9 -89.2 72.6 31.5 16.5 -7.4 136 136 A S S > S- 0 0 15 -2,-1.7 4,-2.0 1,-0.1 5,-0.2 -0.999 85.9-113.3-158.7 157.6 31.3 18.1 -4.1 137 137 A R H > S+ 0 0 149 -2,-0.4 4,-2.6 1,-0.2 5,-0.2 0.900 115.1 62.0 -55.0 -41.8 32.6 20.7 -2.0 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.906 105.2 43.3 -50.8 -54.1 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 56 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.874 114.3 51.7 -61.2 -42.0 36.3 16.6 -2.6 140 140 A N H < S+ 0 0 110 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.865 114.9 40.6 -65.4 -38.8 37.3 20.2 -3.6 141 141 A Q H < S+ 0 0 103 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.868 133.1 19.8 -80.0 -40.1 38.3 21.3 -0.2 142 142 A T S X S+ 0 0 24 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 -0.555 74.6 162.2-131.0 64.7 40.1 18.2 1.1 143 143 A P H > + 0 0 46 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.845 68.5 51.4 -56.0 -40.4 40.9 16.4 -2.1 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.963 115.4 39.6 -68.1 -47.5 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.946 115.1 54.5 -63.1 -45.1 41.6 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 -2,-0.2 0.905 106.5 52.7 -56.4 -41.6 38.5 12.6 -0.2 147 147 A K H X S+ 0 0 86 -4,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.855 106.5 51.1 -63.6 -38.3 40.4 10.6 -2.7 148 148 A R H X S+ 0 0 69 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.923 113.4 44.6 -64.5 -42.0 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.917 113.5 51.2 -65.6 -43.1 37.8 7.5 1.0 150 150 A I H X S+ 0 0 14 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.865 109.4 49.8 -61.0 -41.3 36.6 7.5 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.865 106.7 55.3 -64.9 -39.2 39.1 4.8 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.9 1,-0.2 5,-0.2 0.898 111.1 44.9 -59.8 -42.0 38.1 2.7 -0.7 153 153 A F H < S+ 0 0 2 -4,-1.7 -2,-0.2 2,-0.2 -1,-0.2 0.875 114.6 49.4 -66.8 -42.6 34.4 2.8 -1.9 154 154 A R H < S+ 0 0 107 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.944 126.7 23.1 -65.1 -46.6 35.5 2.1 -5.5 155 155 A T H < S- 0 0 42 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.754 84.1-136.5 -92.8 -35.9 37.7 -0.9 -4.6 156 156 A G S < S+ 0 0 15 -4,-2.9 2,-0.3 1,-0.4 -62,-0.2 0.655 74.1 102.1 80.6 12.6 36.5 -2.3 -1.3 157 157 A T S S- 0 0 48 -6,-0.3 -1,-0.4 -5,-0.2 3,-0.3 -0.788 78.7-124.0-121.9 173.5 40.2 -2.6 -0.4 158 158 A W S >> S+ 0 0 46 -2,-0.3 3,-2.8 1,-0.2 4,-0.6 0.161 70.5 120.4 -97.8 10.3 42.5 -0.6 1.9 159 159 A D G >4 + 0 0 96 1,-0.3 3,-1.9 2,-0.2 -1,-0.2 0.849 66.7 62.7 -45.3 -40.6 45.1 0.1 -0.8 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.701 107.1 46.0 -60.9 -18.6 44.6 3.9 -0.5 161 161 A Y G <4 0 0 19 -3,-2.8 -1,-0.3 -13,-0.1 -2,-0.2 0.482 360.0 360.0-104.1 -4.2 45.8 3.6 3.0 162 162 A K << 0 0 176 -3,-1.9 -2,-0.2 -4,-0.6 -3,-0.1 0.896 360.0 360.0 -98.1 360.0 48.9 1.3 2.5