==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 23-SEP-91 1L76 . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR U.SAUER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8551.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 12 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 52.5 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 81 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.5 43.5 -1.9 9.6 2 2 A N > - 0 0 71 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.928 360.0 -81.4-159.5 174.2 40.1 -0.8 11.1 3 3 A I H > S+ 0 0 29 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.856 124.2 54.3 -55.7 -38.0 37.9 2.3 11.4 4 4 A F H > S+ 0 0 72 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.939 113.5 40.1 -64.8 -46.9 39.9 3.7 14.3 5 5 A E H > S+ 0 0 94 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.861 112.9 56.4 -70.2 -34.1 43.2 3.5 12.5 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 3,-0.3 0.960 111.6 42.0 -59.2 -50.1 41.7 4.7 9.4 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 5,-0.3 0.825 107.8 59.1 -66.9 -35.7 40.4 7.8 11.1 8 8 A R H X S+ 0 0 100 -4,-2.0 4,-1.3 -5,-0.2 -1,-0.2 0.852 107.9 48.6 -62.6 -32.8 43.5 8.5 13.0 9 9 A I H < S+ 0 0 86 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.926 115.0 43.6 -71.5 -45.2 45.3 8.7 9.8 10 10 A D H < S+ 0 0 19 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.807 124.6 31.4 -71.8 -32.2 42.8 11.0 8.2 11 11 A E H < S- 0 0 43 -4,-2.7 19,-0.4 1,-0.2 -1,-0.2 0.553 92.0-149.9-102.7 -16.3 42.4 13.3 11.2 12 12 A G < - 0 0 26 -4,-1.3 2,-0.4 -5,-0.3 -1,-0.2 -0.086 22.3 -90.4 70.2-171.5 45.7 13.3 12.9 13 13 A L + 0 0 40 16,-0.2 2,-0.4 -4,-0.1 16,-0.2 -0.959 42.0 172.5-144.3 119.2 46.2 13.8 16.6 14 14 A R E -A 28 0A 138 14,-1.4 14,-2.0 -2,-0.4 4,-0.1 -0.997 20.7-161.6-130.9 133.5 46.7 17.2 18.2 15 15 A L E S+ 0 0 55 -2,-0.4 43,-2.3 12,-0.2 2,-0.3 0.523 74.8 63.2 -91.6 -10.3 46.8 17.9 21.9 16 16 A K E S-C 57 0B 114 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.873 99.5 -89.3-114.7 150.1 46.2 21.7 21.7 17 17 A I E + 0 0 31 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.240 58.2 167.3 -52.4 142.0 43.1 23.4 20.4 18 18 A Y E -A 26 0A 29 8,-3.0 8,-3.7 -4,-0.1 2,-0.5 -0.975 36.9 -99.6-154.9 164.4 43.4 24.0 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.793 34.6-141.6 -96.2 132.9 41.4 25.0 13.6 20 20 A D > - 0 0 50 4,-2.6 3,-1.1 -2,-0.5 -1,-0.1 0.099 41.8 -77.3 -74.5-169.2 40.3 22.4 11.3 21 21 A T T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.775 134.9 47.9 -64.1 -28.8 40.2 22.6 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.441 123.7-103.9 -89.9 -5.8 37.1 24.7 7.7 23 23 A G S < S+ 0 0 33 -3,-1.1 2,-0.3 1,-0.3 -2,-0.1 0.562 74.9 140.8 92.3 9.2 38.6 27.0 10.3 24 24 A Y - 0 0 78 1,-0.1 -4,-2.6 -5,-0.0 -1,-0.3 -0.706 61.5 -96.9 -90.9 145.0 36.6 25.5 13.3 25 25 A Y E +AB 19 34A 32 9,-0.6 8,-3.3 11,-0.4 9,-1.3 -0.313 55.8 165.1 -62.2 118.3 37.9 24.8 16.8 26 26 A T E -AB 18 32A 3 -8,-3.7 -8,-3.0 6,-0.3 2,-0.3 -0.857 16.6-176.0-133.8 160.4 39.0 21.2 17.0 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.5 -2,-0.3 -12,-0.2 -0.978 50.2 2.0-152.6 160.6 41.0 19.1 19.3 28 28 A G E 4 S-A 14 0A 1 -14,-2.0 -14,-1.4 -2,-0.3 2,-1.2 -0.379 122.8 -6.5 67.5-136.6 42.3 15.5 19.5 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.2 -0.674 129.2 -54.2 -96.6 74.2 41.6 13.1 16.7 30 30 A G T 4 S+ 0 0 13 -2,-1.2 2,-1.0 -19,-0.4 -2,-0.2 0.807 83.5 163.6 62.8 36.8 39.3 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-2.5 -4,-1.4 2,-0.0 2,-0.2 -0.719 32.2-140.9 -86.1 105.1 36.9 16.2 17.7 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.484 20.9-177.4 -66.1 133.3 35.0 19.3 16.7 33 33 A L E - 0 0 15 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.824 57.3 -26.5 -98.4 -42.0 34.5 21.6 19.7 34 34 A T E -B 25 0A 30 -9,-1.3 -9,-0.6 1,-0.1 -1,-0.4 -0.963 35.1-135.5-169.0 155.4 32.5 24.4 18.3 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.1 -3,-0.0 0.563 73.7 108.3 -93.7 -7.3 31.6 26.3 15.2 36 36 A S S S- 0 0 44 2,-0.1 -11,-0.4 1,-0.1 6,-0.1 -0.419 74.2-128.5 -70.0 142.7 31.8 29.7 17.0 37 37 A P S S+ 0 0 125 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.413 79.8 106.1 -70.9 -2.0 34.8 32.1 16.2 38 38 A S > - 0 0 43 1,-0.1 4,-1.9 -13,-0.0 -2,-0.1 -0.752 55.1-165.2 -91.8 122.9 35.4 32.3 19.8 39 39 A L H > S+ 0 0 71 -2,-0.5 4,-2.0 2,-0.2 -1,-0.1 0.710 95.6 58.4 -71.9 -25.0 38.4 30.5 21.4 40 40 A N H > S+ 0 0 125 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.905 105.1 49.5 -70.2 -42.3 36.8 31.2 24.8 41 41 A A H > S+ 0 0 31 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.946 112.1 47.1 -62.1 -48.2 33.8 29.3 23.6 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.877 110.3 52.5 -64.3 -34.8 35.8 26.4 22.4 43 43 A K H X S+ 0 0 66 -4,-2.0 4,-2.2 2,-0.2 11,-0.3 0.864 109.5 49.9 -65.8 -36.6 37.8 26.3 25.6 44 44 A S H X S+ 0 0 68 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.906 110.7 48.9 -67.5 -41.2 34.6 26.2 27.5 45 45 A E H X S+ 0 0 65 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.902 110.0 53.2 -63.8 -40.2 33.4 23.4 25.4 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 5,-0.3 0.932 108.3 49.0 -62.9 -43.8 36.6 21.6 25.9 47 47 A D H X>S+ 0 0 38 -4,-2.2 4,-2.2 1,-0.2 5,-1.3 0.896 110.7 49.7 -64.9 -38.7 36.4 21.8 29.6 48 48 A K H <5S+ 0 0 142 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.891 112.7 48.9 -62.7 -42.6 32.8 20.5 29.6 49 49 A A H <5S+ 0 0 44 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.808 119.2 35.3 -68.6 -34.5 33.8 17.6 27.4 50 50 A I H <5S- 0 0 35 -4,-1.9 -1,-0.2 2,-0.2 -2,-0.2 0.712 102.7-126.0 -92.4 -30.4 36.8 16.5 29.4 51 51 A G T <5S+ 0 0 65 -4,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.861 76.0 66.8 85.0 39.3 35.5 17.3 32.8 52 52 A R S - 0 0 8 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.724 33.1-140.6 -90.7 -21.4 42.2 22.1 30.6 55 55 A N T 3 S- 0 0 131 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.785 73.3 -59.8 66.2 24.4 43.5 25.4 29.7 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.572 118.7 99.4 80.7 12.4 43.1 24.3 26.0 57 57 A V B < -C 16 0B 58 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.988 46.0-179.4-133.1 130.4 45.4 21.3 26.3 58 58 A I - 0 0 5 -43,-2.3 2,-0.2 -2,-0.4 -30,-0.1 -0.785 26.8-111.0-120.3 171.6 44.5 17.7 26.8 59 59 A T > - 0 0 68 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.544 32.1-105.4 -96.1 171.7 46.6 14.6 27.2 60 60 A K H > S+ 0 0 106 1,-0.3 4,-2.0 2,-0.2 5,-0.2 0.845 121.4 55.3 -63.1 -33.3 46.8 11.8 24.8 61 61 A D H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.880 106.3 50.2 -67.9 -35.9 44.7 9.6 26.9 62 62 A E H > S+ 0 0 40 -3,-0.3 4,-2.3 2,-0.2 -2,-0.2 0.853 108.0 54.1 -68.8 -35.7 41.9 12.2 26.9 63 63 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -34,-0.4 0.900 110.2 46.1 -65.4 -41.1 42.1 12.5 23.1 64 64 A E H X S+ 0 0 76 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.833 107.8 58.8 -70.5 -29.9 41.6 8.8 22.8 65 65 A K H X S+ 0 0 132 -4,-1.5 4,-0.9 -5,-0.2 -2,-0.2 0.965 109.1 41.5 -61.6 -49.5 38.9 9.0 25.2 66 66 A L H >X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 3,-0.9 0.917 113.6 54.6 -61.7 -43.3 36.9 11.5 23.1 67 67 A F H 3X S+ 0 0 15 -4,-2.6 4,-2.3 1,-0.3 -1,-0.2 0.904 104.5 54.6 -55.2 -45.4 37.8 9.4 20.0 68 68 A N H 3< S+ 0 0 95 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.729 114.0 41.5 -61.7 -23.1 36.4 6.3 21.7 69 69 A Q H X S+ 0 0 6 -4,-2.3 4,-1.8 1,-0.2 3,-0.7 0.989 111.5 42.4 -62.1 -54.9 33.5 6.7 16.6 72 72 A P H 3> S+ 0 0 45 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.836 109.9 57.9 -59.6 -34.6 30.5 4.8 18.0 73 73 A A H 3X S+ 0 0 38 -4,-1.4 4,-2.7 2,-0.2 -2,-0.2 0.873 103.5 53.8 -63.3 -36.2 28.3 7.9 18.1 74 74 A A H < S+ 0 0 0 -4,-1.8 3,-1.1 1,-0.2 7,-0.4 0.927 107.3 53.4 -64.7 -44.8 23.9 6.5 10.7 79 79 A L H 3< S+ 0 0 70 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.683 111.2 47.7 -64.8 -17.7 21.7 3.7 12.1 80 80 A R H 3< S+ 0 0 181 -4,-0.8 2,-0.7 -3,-0.4 -1,-0.3 0.469 92.0 91.0 -98.5 -10.7 19.2 6.3 13.1 81 81 A N S+ 0 0 0 -3,-0.3 4,-2.5 -6,-0.2 3,-0.4 0.805 101.1 71.1 -92.1 -37.1 21.7 6.3 5.6 85 85 A K H X S+ 0 0 89 -4,-3.0 4,-3.0 -7,-0.4 5,-0.2 0.912 97.4 50.5 -52.6 -46.1 20.8 3.2 7.4 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.2 0, 0.0 -1,-0.3 0.858 112.6 47.3 -64.2 -33.0 19.7 1.3 4.4 87 87 A V H > S+ 0 0 1 -3,-0.4 4,-1.0 -4,-0.3 3,-0.3 0.965 112.8 47.8 -70.5 -49.4 22.9 2.1 2.5 88 88 A Y H >< S+ 0 0 31 -4,-2.5 3,-0.9 1,-0.2 -3,-0.2 0.929 110.8 52.4 -53.8 -46.2 25.1 1.2 5.5 89 89 A D H 3< S+ 0 0 73 -4,-3.0 -1,-0.2 -5,-0.3 -2,-0.2 0.856 105.8 54.0 -65.3 -31.3 23.2 -2.1 5.9 90 90 A S H 3< S+ 0 0 39 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.719 97.9 89.9 -75.8 -17.8 23.7 -3.0 2.3 91 91 A L S << S- 0 0 6 -4,-1.0 2,-0.1 -3,-0.9 31,-0.0 -0.422 74.9-118.4 -85.2 161.8 27.4 -2.6 2.5 92 92 A D > - 0 0 53 -2,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.282 42.5 -92.8 -83.4 171.0 30.3 -4.8 3.4 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.875 120.9 45.8 -55.9 -47.6 32.7 -4.1 6.3 94 94 A V H > S+ 0 0 25 62,-0.2 4,-1.2 1,-0.2 3,-0.4 0.931 113.7 48.3 -64.5 -46.0 35.3 -2.2 4.6 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.832 105.2 58.5 -66.3 -31.0 32.9 0.0 2.7 96 96 A R H X S+ 0 0 75 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.859 101.8 57.1 -65.3 -32.4 30.9 0.8 5.8 97 97 A A H X S+ 0 0 6 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.869 103.4 52.9 -64.9 -36.1 34.1 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -1,-0.2 0.881 109.8 48.2 -64.1 -40.4 34.3 4.5 4.3 99 99 A L H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.918 111.2 49.9 -66.3 -44.3 30.7 5.8 5.0 100 100 A I H X S+ 0 0 10 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.917 107.1 55.9 -61.5 -41.0 31.5 6.2 8.7 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.910 109.8 45.4 -57.5 -43.2 34.6 8.2 7.8 102 102 A M H X S+ 0 0 3 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.927 112.7 49.2 -66.9 -44.6 32.5 10.5 5.7 103 103 A V H X S+ 0 0 9 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.916 110.6 52.5 -60.9 -40.1 29.9 10.9 8.4 104 104 A F H < S+ 0 0 34 -4,-3.3 -1,-0.2 -5,-0.2 -2,-0.2 0.915 115.1 40.7 -62.0 -43.9 32.6 11.6 10.9 105 105 A Q H < S+ 0 0 53 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.928 133.7 15.6 -72.2 -45.6 34.1 14.3 8.8 106 106 A M H X S- 0 0 53 -4,-3.0 4,-0.6 -5,-0.2 -3,-0.2 0.448 100.7-119.6-111.9 -1.4 30.9 16.0 7.5 107 107 A G H X - 0 0 32 -4,-2.7 4,-2.4 -5,-0.3 5,-0.2 0.185 38.0 -72.2 77.3 160.9 28.1 14.9 9.8 108 108 A E H > S+ 0 0 55 1,-0.2 4,-4.2 2,-0.2 -1,-0.1 0.796 132.7 50.8 -52.1 -46.8 24.8 13.0 8.8 109 109 A T H > S+ 0 0 128 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.895 108.2 52.1 -61.9 -46.2 23.3 16.0 7.2 110 110 A G H >< S+ 0 0 29 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.960 119.7 35.9 -58.0 -48.6 26.4 16.5 5.1 111 111 A V H >< S+ 0 0 0 -4,-2.4 3,-2.7 1,-0.2 -2,-0.2 0.875 102.7 69.3 -73.9 -40.8 26.3 13.0 4.0 112 112 A A H 3< S+ 0 0 19 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.725 95.4 61.7 -52.7 -20.3 22.6 12.5 3.7 113 113 A G T << S+ 0 0 59 -4,-0.9 3,-0.3 -3,-0.6 -1,-0.3 0.362 74.6 87.3 -87.3 -0.4 22.7 14.9 0.7 114 114 A F <> + 0 0 35 -3,-2.7 4,-2.7 1,-0.2 3,-0.4 -0.205 57.4 149.5 -89.5 39.7 25.0 12.7 -1.4 115 115 A T H > + 0 0 64 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.798 62.7 47.9 -41.3 -51.1 21.7 11.1 -2.5 116 116 A N H > S+ 0 0 89 -3,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.901 114.4 43.9 -67.0 -39.8 22.8 10.2 -5.9 117 117 A S H > S+ 0 0 0 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.855 110.9 56.0 -71.5 -35.6 26.0 8.6 -4.8 118 118 A L H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.876 106.9 50.4 -61.8 -38.9 24.3 6.8 -2.0 119 119 A R H X S+ 0 0 100 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.925 110.1 49.4 -64.7 -42.2 21.9 5.3 -4.4 120 120 A M H <>S+ 0 0 22 -4,-1.7 5,-2.0 2,-0.2 4,-0.4 0.898 110.5 51.1 -62.9 -41.3 24.7 4.1 -6.6 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.3 -1,-0.2 0.927 106.9 53.0 -61.7 -45.5 26.5 2.6 -3.6 122 122 A Q H 3<5S+ 0 0 95 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.799 108.3 51.6 -57.5 -32.1 23.4 0.8 -2.6 123 123 A Q T 3<5S- 0 0 86 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.530 111.5-123.7 -87.0 -1.9 23.3 -0.6 -6.0 124 124 A K T < 5 + 0 0 95 -3,-1.7 2,-1.3 -4,-0.4 -3,-0.2 0.779 61.3 146.5 66.5 28.9 26.8 -1.7 -5.8 125 125 A R >< + 0 0 119 -5,-2.0 4,-2.1 1,-0.2 -1,-0.2 -0.745 23.1 176.7 -94.9 78.8 27.8 0.3 -8.9 126 126 A W H > + 0 0 52 -2,-1.3 4,-2.1 1,-0.2 -1,-0.2 0.884 67.6 44.6 -55.4 -54.2 31.3 1.0 -7.6 127 127 A D H > S+ 0 0 107 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.884 114.8 49.6 -66.1 -36.5 33.0 2.9 -10.4 128 128 A E H > S+ 0 0 103 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.909 110.1 48.8 -69.5 -41.8 30.0 5.0 -11.0 129 129 A A H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.895 108.2 56.3 -62.5 -38.6 29.6 6.0 -7.4 130 130 A A H X S+ 0 0 10 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.877 109.4 46.6 -58.5 -39.6 33.3 6.8 -7.3 131 131 A V H X S+ 0 0 85 -4,-1.7 4,-0.6 1,-0.2 3,-0.2 0.927 113.0 47.4 -69.9 -45.6 32.8 9.2 -10.1 132 132 A N H >< S+ 0 0 41 -4,-2.3 3,-1.1 1,-0.2 -2,-0.2 0.882 106.8 57.9 -64.1 -38.0 29.8 10.8 -8.7 133 133 A L H 3< S+ 0 0 2 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.862 99.8 59.0 -61.1 -36.5 31.4 11.2 -5.3 134 134 A A H 3< S+ 0 0 25 -4,-1.2 2,-2.1 -3,-0.2 -1,-0.3 0.682 86.1 80.4 -66.8 -20.2 34.2 13.2 -6.8 135 135 A K S << S+ 0 0 154 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.461 80.5 95.1 -89.1 71.2 31.8 15.8 -8.1 136 136 A S S > S- 0 0 17 -2,-2.1 4,-1.7 1,-0.1 5,-0.2 -0.992 84.9-114.5-154.2 161.0 31.5 17.5 -4.9 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.877 114.3 64.1 -62.5 -38.0 32.7 20.4 -2.8 138 138 A W H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.922 104.8 44.1 -48.8 -51.4 34.1 17.8 -0.4 139 139 A Y H 4 S+ 0 0 61 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.883 112.1 51.2 -64.1 -43.0 36.5 16.5 -3.0 140 140 A N H < S+ 0 0 113 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.835 116.6 42.4 -65.6 -30.1 37.6 19.9 -4.2 141 141 A Q H < S+ 0 0 101 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.845 131.7 17.3 -85.6 -42.6 38.3 20.9 -0.6 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.7 -5,-0.2 5,-0.2 -0.613 74.0 161.5-130.9 65.4 40.0 17.9 0.8 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 70.1 52.8 -55.4 -45.3 41.0 16.1 -2.3 144 144 A N H > S+ 0 0 115 2,-0.2 4,-1.4 1,-0.2 5,-0.1 0.920 115.7 39.6 -61.4 -43.3 43.6 13.8 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.934 114.6 52.8 -69.4 -47.6 41.3 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.4 1,-0.2 5,-0.2 0.914 107.2 54.3 -56.1 -42.1 38.4 12.3 -0.4 147 147 A K H X S+ 0 0 87 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.902 107.4 48.9 -60.5 -41.8 40.5 10.2 -2.8 148 148 A R H X S+ 0 0 72 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.889 114.4 45.7 -64.0 -42.5 41.4 7.7 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.911 112.2 51.1 -66.1 -44.5 37.8 7.4 0.9 150 150 A I H X S+ 0 0 14 -4,-3.4 4,-2.6 1,-0.2 5,-0.2 0.941 108.1 51.2 -60.7 -45.5 36.6 7.1 -2.7 151 151 A T H X S+ 0 0 38 -4,-2.6 4,-3.5 -5,-0.2 6,-0.4 0.884 107.3 56.1 -56.6 -39.3 39.2 4.3 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.8 2,-0.2 5,-0.3 0.938 110.6 42.0 -59.6 -48.1 37.9 2.5 -0.5 153 153 A F H < S+ 0 0 2 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.863 117.4 48.7 -66.5 -39.2 34.3 2.5 -1.7 154 154 A R H < S+ 0 0 103 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 124.5 27.1 -66.9 -46.3 35.5 1.7 -5.2 155 155 A T H < S- 0 0 48 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.656 85.7-137.1 -95.0 -17.0 37.7 -1.2 -4.2 156 156 A G S < S+ 0 0 16 -4,-2.8 2,-0.3 -5,-0.3 -62,-0.2 0.670 74.2 99.0 69.5 10.6 36.3 -2.6 -1.0 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.4 -5,-0.3 -1,-0.2 -0.832 82.4-120.5-125.5 170.0 39.9 -2.8 0.3 158 158 A W S >> S+ 0 0 44 -2,-0.3 3,-1.9 1,-0.2 4,-0.7 0.129 71.5 123.2 -95.7 20.0 42.2 -0.8 2.5 159 159 A D G >4 + 0 0 100 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.866 67.8 57.9 -47.3 -43.8 44.7 -0.3 -0.3 160 160 A A G 34 S+ 0 0 33 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.649 109.8 43.3 -63.7 -20.7 44.5 3.6 -0.1 161 161 A Y G <4 0 0 19 -3,-1.9 -1,-0.3 -13,-0.1 -2,-0.2 0.426 360.0 360.0-104.4 -2.9 45.6 3.5 3.6 162 162 A K << 0 0 174 -3,-1.2 -2,-0.2 -4,-0.7 -3,-0.1 0.811 360.0 360.0-102.2 360.0 48.3 1.0 3.2