==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 17-JUN-09 3HWL . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.R.FLEISSNER,D.CASCIO,P.G.SCHULTZ,W.L.HUBBELL . 161 2 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 113 70.2 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 7.5 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 5.0 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 . 83 51.6 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 1 2 0 1 1 1 0 0 1 1 1 0 0 0 0 0 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 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 61 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.8 43.0 -1.7 8.9 2 2 A N > - 0 0 67 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.922 360.0 -80.0-155.8 178.1 39.7 -0.8 10.6 3 3 A I H > S+ 0 0 29 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.857 127.1 49.0 -58.7 -37.4 37.5 2.2 11.1 4 4 A F H > S+ 0 0 84 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.936 114.2 43.8 -66.6 -45.6 39.6 3.5 14.0 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.873 113.8 53.1 -67.3 -35.8 42.9 3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.943 112.5 41.5 -62.5 -52.8 41.3 4.7 9.1 7 7 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.4 0.853 109.8 58.9 -67.8 -32.9 40.0 7.8 10.8 8 8 A R H X S+ 0 0 105 -4,-2.1 4,-1.7 -5,-0.2 -1,-0.2 0.900 109.2 45.7 -61.8 -39.0 43.2 8.1 12.8 9 9 A I H < S+ 0 0 83 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.950 117.9 42.5 -64.5 -48.9 45.0 8.4 9.5 10 10 A D H < S+ 0 0 19 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.783 124.2 34.2 -70.8 -29.8 42.5 10.9 8.1 11 11 A E H < S- 0 0 37 -4,-3.0 19,-0.5 -5,-0.2 -1,-0.2 0.673 92.5-151.6-102.8 -19.8 42.2 13.0 11.2 12 12 A G < - 0 0 23 -4,-1.7 2,-0.4 -5,-0.4 -1,-0.1 -0.162 22.0 -90.5 73.4-177.2 45.6 13.0 12.7 13 13 A L + 0 0 45 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.954 44.9 164.8-138.2 118.8 46.4 13.3 16.5 14 14 A R E -A 28 0A 146 14,-1.9 14,-2.4 -2,-0.4 4,-0.1 -1.000 23.0-159.4-135.0 133.7 47.0 16.7 18.1 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.444 74.1 62.7 -96.7 -0.9 46.9 17.2 21.9 16 16 A K E S-C 57 0B 138 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.906 100.1 -86.8-120.1 153.0 46.4 21.0 21.9 17 17 A I E + 0 0 30 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.330 58.7 164.9 -57.2 133.1 43.4 22.9 20.5 18 18 A Y E -A 26 0A 28 8,-2.8 8,-2.8 -4,-0.1 2,-0.5 -0.894 39.7 -98.4-141.7 170.4 44.0 23.6 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.834 36.2-141.6 -97.2 132.8 41.9 24.7 13.7 20 20 A D > - 0 0 44 4,-2.6 3,-1.9 -2,-0.5 -1,-0.1 -0.007 42.0 -76.7 -78.5-170.2 40.7 22.0 11.4 21 21 A T T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.742 134.1 49.8 -65.0 -23.6 40.5 22.3 7.6 22 22 A E T 3 S- 0 0 74 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.388 122.2-104.6 -93.7 1.8 37.3 24.4 7.9 23 23 A G S < S+ 0 0 40 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.612 75.9 137.8 86.3 14.6 38.9 26.8 10.4 24 24 A Y - 0 0 75 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.757 62.4 -99.5-100.3 141.3 37.0 25.4 13.4 25 25 A Y E +AB 19 34A 37 9,-0.5 8,-2.8 11,-0.4 9,-1.2 -0.325 55.0 160.7 -60.9 130.4 38.5 24.7 16.8 26 26 A T E -AB 18 32A 2 -8,-2.8 -8,-2.8 6,-0.3 2,-0.3 -0.898 18.5-170.0-148.2 158.7 39.3 21.0 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.2 -2,-0.3 2,-0.2 -0.977 51.5 4.7-150.1 162.9 41.4 18.7 19.4 28 28 A G E 4 S-A 14 0A 1 -14,-2.4 -14,-1.9 -2,-0.3 2,-0.9 -0.416 122.9 -7.0 75.1-130.9 42.6 15.1 19.6 29 29 A I T 4 S- 0 0 6 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.2 -0.720 129.2 -50.8-104.0 76.1 41.6 12.9 16.7 30 30 A G T 4 S+ 0 0 12 -2,-0.9 2,-1.0 -19,-0.5 -2,-0.2 0.810 83.1 163.1 63.7 32.8 39.3 15.2 14.8 31 31 A H E < -B 27 0A 28 -4,-2.2 -4,-1.7 -20,-0.1 2,-0.3 -0.728 30.4-146.0 -84.1 104.2 37.1 16.1 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.528 16.9-175.2 -70.0 126.3 35.3 19.3 16.7 33 33 A L E - 0 0 14 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.881 58.4 -33.2 -89.0 -44.6 34.8 21.5 19.7 34 34 A T E -B 25 0A 30 -9,-1.2 -9,-0.5 2,-0.1 -1,-0.4 -0.962 35.6-130.6-173.1 152.6 32.7 24.3 18.2 35 35 A K S S+ 0 0 138 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.466 74.5 117.4 -91.7 -2.5 32.1 26.3 15.1 36 36 A S - 0 0 41 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.388 69.9-134.8 -64.5 139.3 32.4 29.5 17.1 37 37 A P S S+ 0 0 123 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.495 78.4 102.4 -67.0 -7.5 35.2 31.9 16.3 38 38 A S > - 0 0 51 1,-0.2 4,-1.8 -13,-0.0 5,-0.1 -0.729 57.0-163.1 -93.1 119.1 35.9 32.2 20.1 39 39 A L H > S+ 0 0 68 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.852 95.3 56.4 -63.1 -35.4 38.8 30.3 21.5 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.901 105.2 51.0 -63.8 -38.7 37.4 30.7 25.0 41 41 A A H > S+ 0 0 32 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.891 110.8 49.6 -61.9 -40.9 34.1 29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.884 109.3 51.4 -64.6 -40.9 36.2 26.2 22.5 43 43 A K H X S+ 0 0 57 -4,-2.4 4,-2.4 2,-0.2 11,-0.3 0.893 109.6 50.2 -65.0 -39.1 38.1 25.9 25.8 44 44 A S H X S+ 0 0 74 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.906 109.8 50.0 -66.3 -40.6 34.8 25.7 27.6 45 45 A E H X S+ 0 0 69 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.895 110.9 51.3 -61.4 -39.6 33.5 23.0 25.3 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.938 108.8 48.6 -64.4 -47.9 36.7 21.1 25.9 47 47 A D H X>S+ 0 0 40 -4,-2.4 4,-2.2 1,-0.2 5,-0.9 0.893 113.2 48.8 -58.8 -40.4 36.5 21.3 29.7 48 48 A K H <5S+ 0 0 141 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.903 112.4 48.6 -65.2 -39.3 32.9 20.1 29.5 49 49 A A H <5S+ 0 0 43 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.867 120.4 35.1 -70.1 -36.9 33.9 17.2 27.2 50 50 A I H <5S- 0 0 35 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.696 103.4-125.8 -92.3 -25.9 36.8 16.0 29.3 51 51 A G T <5S+ 0 0 68 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.714 77.7 69.8 87.0 21.4 35.3 16.8 32.7 52 52 A R S - 0 0 11 -2,-1.0 3,-1.1 -11,-0.3 -1,-0.2 0.688 31.9-144.9 -95.0 -24.2 42.2 21.5 30.7 55 55 A N T 3 S- 0 0 119 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.863 74.0 -52.3 55.3 38.1 43.4 24.9 29.6 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-1.8 1,-0.2 2,-0.4 0.528 118.7 97.2 83.2 7.5 43.4 23.8 25.9 57 57 A V B < +C 16 0B 56 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.990 44.0 177.9-132.9 138.3 45.6 20.7 26.3 58 58 A I - 0 0 4 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.848 27.6-109.6-129.6 169.0 44.7 17.0 26.7 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.500 33.5-108.7 -91.0 165.7 46.5 13.7 27.1 60 60 A K H > S+ 0 0 114 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.890 121.0 54.4 -59.9 -40.2 46.6 10.9 24.4 61 61 A D H > S+ 0 0 125 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.917 109.5 47.1 -59.0 -45.3 44.3 8.8 26.6 62 62 A E H > S+ 0 0 38 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.896 110.6 52.2 -64.5 -40.6 41.8 11.6 26.7 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -34,-0.5 0.902 109.7 49.3 -61.0 -40.6 42.0 12.2 23.0 64 64 A E H X S+ 0 0 89 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.851 107.9 54.6 -70.2 -32.1 41.4 8.5 22.4 65 65 A K H X S+ 0 0 145 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.942 108.8 46.4 -65.8 -46.9 38.4 8.6 24.7 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.893 112.0 54.3 -59.0 -37.0 36.8 11.4 22.7 67 67 A F H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.934 106.0 50.2 -64.3 -46.8 37.6 9.5 19.5 68 68 A a H X S+ 0 0 68 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.926 113.1 47.0 -55.7 -45.4 35.8 6.4 20.8 69 69 A Q H X S+ 0 0 94 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.883 111.6 51.1 -64.9 -38.5 32.7 8.5 21.6 70 70 A D H X S+ 0 0 36 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.841 111.2 45.9 -72.1 -35.3 32.9 10.2 18.2 71 71 A V H X S+ 0 0 7 -4,-2.5 4,-2.3 2,-0.2 5,-0.2 0.930 113.1 50.9 -69.3 -44.5 33.0 7.0 16.2 72 72 A D H X S+ 0 0 81 -4,-2.4 4,-2.7 -5,-0.3 -2,-0.2 0.927 110.6 50.4 -53.8 -47.5 30.2 5.6 18.4 73 73 A A H X S+ 0 0 41 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.858 107.3 52.5 -62.5 -38.3 28.2 8.7 17.7 74 74 A A H X S+ 0 0 6 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.930 111.8 46.2 -65.8 -42.2 28.8 8.5 13.9 75 75 A V H X S+ 0 0 34 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.931 112.7 49.6 -64.3 -45.0 27.5 4.9 13.9 76 76 A R H X S+ 0 0 143 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.890 109.2 53.3 -60.1 -38.8 24.5 5.8 16.1 77 77 A G H X S+ 0 0 11 -4,-2.3 4,-0.6 2,-0.2 -1,-0.2 0.904 109.9 47.2 -63.6 -43.8 23.7 8.7 13.8 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.2 1,-0.2 7,-0.5 0.945 112.1 49.9 -60.8 -49.3 23.7 6.4 10.7 79 79 A L H 3< S+ 0 0 75 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.803 112.1 47.7 -63.7 -29.2 21.5 3.8 12.5 80 80 A R H 3< S+ 0 0 84 -4,-1.8 2,-0.5 -5,-0.2 -1,-0.3 0.518 93.6 94.9 -86.7 -7.8 19.0 6.4 13.6 81 81 A N S+ 0 0 139 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.841 119.7 39.8 -86.8 -38.7 18.2 7.7 4.7 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.9 -6,-0.2 5,-0.3 0.874 102.6 65.9 -82.9 -38.8 21.5 6.3 5.9 85 85 A K H X S+ 0 0 78 -4,-2.6 4,-3.1 -7,-0.5 5,-0.2 0.892 100.1 49.8 -55.1 -47.6 20.4 3.1 7.7 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.896 114.6 45.6 -58.5 -40.9 19.2 1.3 4.5 87 87 A V H X S+ 0 0 4 -4,-0.6 4,-0.8 -3,-0.2 3,-0.4 0.956 113.8 48.3 -66.3 -48.2 22.4 2.1 2.7 88 88 A Y H >< S+ 0 0 34 -4,-2.9 3,-1.2 1,-0.2 -1,-0.2 0.923 110.2 52.1 -57.0 -46.6 24.6 1.1 5.7 89 89 A D H 3< S+ 0 0 75 -4,-3.1 -1,-0.2 -5,-0.3 -2,-0.2 0.828 107.7 53.8 -59.5 -31.1 22.7 -2.2 6.1 90 90 A S H 3< S+ 0 0 32 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.630 96.8 86.2 -79.7 -15.0 23.3 -2.9 2.4 91 91 A L S << S- 0 0 6 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.472 75.5-117.8 -92.2 157.7 27.1 -2.5 2.6 92 92 A D > - 0 0 55 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.343 44.4 -93.0 -76.2 172.2 29.9 -4.9 3.4 93 93 A a H > S+ 0 0 105 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.840 122.8 50.2 -62.3 -39.6 32.2 -4.1 6.4 94 94 A V H > S+ 0 0 26 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.937 113.8 44.1 -67.4 -45.3 34.8 -2.2 4.5 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.835 107.1 60.5 -70.1 -31.6 32.3 0.1 2.8 96 96 A R H X S+ 0 0 76 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.911 102.5 54.1 -55.5 -42.1 30.5 0.6 6.1 97 97 A A H X S+ 0 0 5 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.900 104.9 53.2 -58.4 -41.8 33.8 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-1.9 1,-0.2 -1,-0.2 0.901 109.9 47.6 -63.1 -38.0 33.8 4.5 4.4 99 99 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.901 110.6 51.0 -69.9 -40.1 30.3 5.7 5.3 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.922 107.7 54.9 -60.6 -43.6 31.2 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.927 107.9 48.2 -53.9 -49.9 34.2 8.1 7.9 102 102 A M H X S+ 0 0 2 -4,-1.9 4,-3.2 1,-0.2 5,-0.4 0.915 112.9 47.4 -58.6 -44.7 32.0 10.5 5.9 103 103 A V H X S+ 0 0 7 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.873 109.0 54.7 -66.0 -37.7 29.5 10.9 8.8 104 104 A F H < S+ 0 0 29 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.926 117.5 36.8 -59.1 -43.1 32.4 11.5 11.2 105 105 A Q H < S+ 0 0 51 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.909 134.0 20.0 -77.0 -43.7 33.7 14.3 8.9 106 106 A M H < S- 0 0 56 -4,-3.2 4,-0.4 -5,-0.2 -3,-0.2 0.586 103.7-115.3-109.7 -16.1 30.4 15.9 7.7 107 107 A G X - 0 0 30 -4,-2.2 4,-2.1 -5,-0.4 5,-0.2 0.024 32.1 -78.5 93.0 156.6 27.7 14.8 10.2 108 108 A E H > S+ 0 0 69 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.940 128.6 44.9 -56.1 -54.1 24.6 12.7 9.8 109 109 A T H > S+ 0 0 117 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.882 110.4 56.1 -62.8 -38.6 22.4 15.3 8.2 110 110 A G H >4 S+ 0 0 34 -4,-0.4 3,-0.5 1,-0.2 -1,-0.2 0.934 114.5 36.8 -58.3 -49.3 25.2 16.3 5.8 111 111 A V H >< S+ 0 0 1 -4,-2.1 3,-2.0 1,-0.2 -2,-0.2 0.855 107.5 65.1 -74.4 -34.6 25.7 12.9 4.4 112 112 A A H 3< S+ 0 0 12 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.707 95.0 62.0 -63.3 -19.3 22.0 11.9 4.5 113 113 A G T << S+ 0 0 51 -4,-0.9 2,-2.3 -3,-0.5 -1,-0.3 0.536 72.8 95.7 -84.1 -7.3 21.4 14.6 1.9 114 114 A F <> + 0 0 54 -3,-2.0 4,-2.5 1,-0.2 5,-0.3 -0.376 51.2 163.3 -80.0 61.8 23.6 13.0 -0.8 115 115 A T H > + 0 0 90 -2,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.831 66.1 45.3 -55.3 -44.7 20.5 11.4 -2.3 116 116 A N H > S+ 0 0 82 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.912 114.6 46.3 -69.8 -43.9 22.0 10.4 -5.6 117 117 A S H > S+ 0 0 7 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.899 111.8 52.4 -64.0 -42.7 25.2 9.0 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.877 108.0 52.3 -60.5 -39.2 23.4 7.0 -1.6 119 119 A R H X S+ 0 0 107 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.931 109.6 48.1 -62.6 -46.5 21.1 5.5 -4.3 120 120 A M H <>S+ 0 0 28 -4,-2.0 5,-2.6 2,-0.2 4,-0.3 0.874 111.9 50.1 -63.4 -37.1 24.1 4.4 -6.4 121 121 A L H ><5S+ 0 0 2 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.937 110.3 49.3 -63.9 -46.8 25.7 2.9 -3.3 122 122 A Q H 3<5S+ 0 0 88 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.843 111.4 50.5 -58.4 -34.8 22.5 1.0 -2.4 123 123 A Q T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.499 111.7-125.1 -80.9 -7.1 22.4 -0.2 -6.1 124 124 A K T < 5 + 0 0 98 -3,-1.4 2,-1.1 -4,-0.3 -3,-0.2 0.836 60.4 147.2 60.8 35.8 26.0 -1.4 -5.8 125 125 A R >< + 0 0 120 -5,-2.6 4,-2.9 1,-0.2 5,-0.2 -0.703 21.1 174.5 -95.4 78.9 27.0 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.1 4,-2.4 1,-0.2 -1,-0.2 0.854 69.6 44.5 -66.1 -44.2 30.5 1.3 -7.4 127 127 A D H 4 S+ 0 0 121 2,-0.2 -1,-0.2 1,-0.2 27,-0.1 0.923 116.3 48.1 -66.7 -42.0 32.2 3.2 -10.2 128 128 A E H 4 S+ 0 0 115 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.920 112.1 49.1 -62.5 -46.1 29.1 5.4 -10.8 129 129 A A H < 0 0 1 -4,-2.9 4,-2.8 -9,-0.2 -1,-0.2 0.916 360.0 360.0 -56.5 -46.6 28.8 6.2 -7.1 130 130 A A < 0 0 23 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.900 360.0 360.0 -58.9 360.0 32.5 7.0 -7.0 131 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 132 132 A N > 0 0 47 0, 0.0 3,-1.3 0, 0.0 -2,-0.2 0.000 360.0 360.0 360.0 -38.5 29.1 11.0 -8.3 133 133 A L T 3 + 0 0 3 -4,-2.8 6,-0.4 1,-0.3 -3,-0.1 0.788 360.0 61.1 -64.1 -27.9 30.7 11.4 -4.9 134 134 A A T 3 S+ 0 0 34 -4,-1.0 2,-1.4 1,-0.2 -1,-0.3 0.621 84.3 80.2 -78.0 -10.6 33.5 13.4 -6.4 135 135 A K S < S+ 0 0 177 -3,-1.3 2,-0.3 4,-0.1 -1,-0.2 -0.468 81.9 99.7 -88.1 61.3 31.0 16.0 -7.6 136 136 A S S > S- 0 0 19 -2,-1.4 4,-2.1 1,-0.1 5,-0.2 -0.980 83.7-121.8-147.6 152.6 30.9 17.6 -4.1 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.0 1,-0.2 5,-0.3 0.904 115.2 62.3 -57.9 -40.9 32.2 20.4 -2.0 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.1 2,-0.2 8,-0.2 0.929 106.5 41.8 -47.4 -53.6 33.5 17.6 0.2 139 139 A Y H 4 S+ 0 0 58 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.909 115.8 49.0 -65.0 -43.4 35.8 16.3 -2.6 140 140 A N H < S+ 0 0 107 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.883 115.4 42.8 -68.5 -36.1 36.9 19.7 -3.8 141 141 A Q H < S+ 0 0 109 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.811 131.8 21.0 -82.1 -31.6 37.8 21.0 -0.3 142 142 A T S X S+ 0 0 19 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 -0.545 75.0 161.2-132.6 69.6 39.5 17.8 1.0 143 143 A P H > S+ 0 0 49 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.844 70.3 50.2 -64.3 -40.9 40.5 15.9 -2.2 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.931 116.6 41.1 -68.5 -43.3 43.2 13.6 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.931 115.7 50.3 -65.6 -46.5 41.0 12.4 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.2 0.893 107.8 54.6 -60.3 -39.4 37.9 12.2 -0.2 147 147 A K H X S+ 0 0 99 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.893 108.2 48.8 -60.3 -40.0 39.9 10.2 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.6 4,-1.6 2,-0.2 12,-0.2 0.918 114.3 45.4 -65.0 -43.3 40.8 7.6 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.923 113.8 49.0 -68.3 -43.7 37.2 7.3 1.1 150 150 A I H X S+ 0 0 15 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.891 108.4 53.8 -63.2 -39.1 35.9 7.1 -2.5 151 151 A T H X S+ 0 0 39 -4,-2.3 4,-2.5 -5,-0.2 6,-0.4 0.880 106.9 53.0 -61.3 -36.1 38.5 4.4 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.2 1,-0.2 5,-0.2 0.913 111.8 44.5 -66.8 -42.9 37.3 2.5 -0.4 153 153 A F H < S+ 0 0 1 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.868 114.9 50.0 -64.4 -39.7 33.7 2.7 -1.7 154 154 A R H < S+ 0 0 109 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.923 126.3 21.4 -68.0 -41.5 34.8 1.8 -5.2 155 155 A T H < S- 0 0 39 -4,-2.5 -2,-0.2 2,-0.2 -3,-0.2 0.680 85.5-134.4-103.8 -23.6 36.8 -1.2 -4.4 156 156 A G S < S+ 0 0 17 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.776 74.2 107.1 66.2 24.4 35.6 -2.5 -1.0 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.824 80.1-122.5-125.3 169.6 39.3 -2.8 -0.1 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.0 1,-0.2 4,-0.9 0.084 70.2 123.6 -95.7 21.3 41.7 -0.9 2.2 159 159 A D T 34 + 0 0 107 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.805 68.0 56.4 -54.9 -34.8 44.1 -0.2 -0.7 160 160 A A T 34 S+ 0 0 32 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.627 110.8 45.4 -73.5 -13.4 44.0 3.6 -0.2 161 161 A Y T <4 0 0 17 -3,-2.0 -1,-0.2 -13,-0.1 -2,-0.2 0.508 360.0 360.0-108.1 -6.9 45.1 3.2 3.4 162 162 A K < 0 0 173 -4,-0.9 -2,-0.1 -3,-0.5 -3,-0.1 0.878 360.0 360.0 -96.8 360.0 47.9 0.7 2.9