==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-SEP-07 2RBO . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.P.GRAVES,S.E.BOYCE,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8774.0 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 . 10 6.2 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 . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 51.9 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 1 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 1 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 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 72 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.3 43.0 -1.7 9.0 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.902 360.0 -80.4-155.9 177.6 39.7 -0.8 10.8 3 3 A I H > S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.839 126.7 51.3 -59.3 -35.4 37.7 2.4 11.3 4 4 A F H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.952 112.9 43.5 -68.4 -47.5 39.9 3.7 14.1 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.885 114.8 52.2 -63.6 -37.4 43.1 3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.949 113.4 40.8 -64.0 -53.0 41.5 4.8 9.1 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 5,-0.4 0.840 109.9 60.0 -67.9 -31.1 40.2 7.9 10.8 8 8 A R H X S+ 0 0 106 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.912 108.6 45.3 -60.8 -40.9 43.5 8.2 12.8 9 9 A I H < S+ 0 0 74 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.944 118.0 42.3 -63.6 -48.2 45.3 8.5 9.4 10 10 A D H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.828 125.8 31.4 -72.8 -31.8 42.7 11.0 8.0 11 11 A E H < S- 0 0 42 -4,-3.0 19,-0.4 1,-0.2 -1,-0.2 0.661 92.2-152.7-101.0 -21.2 42.3 13.2 11.0 12 12 A G < - 0 0 23 -4,-1.8 2,-0.3 -5,-0.4 -1,-0.2 -0.221 23.3 -89.1 74.0-171.7 45.8 13.0 12.7 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.936 44.4 167.7-142.2 119.5 46.3 13.4 16.4 14 14 A R E -A 28 0A 145 14,-1.7 14,-2.4 -2,-0.3 4,-0.1 -1.000 21.6-160.2-133.4 134.1 46.9 16.8 18.1 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.4 12,-0.2 2,-0.3 0.547 74.1 63.9 -94.8 -8.3 46.8 17.3 21.8 16 16 A K E S-C 57 0B 96 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.863 101.7 -85.3-112.4 150.8 46.4 21.1 21.8 17 17 A I E + 0 0 33 39,-1.9 2,-0.3 -2,-0.3 10,-0.2 -0.288 58.8 168.5 -53.9 131.2 43.4 23.0 20.3 18 18 A Y E -A 26 0A 28 8,-2.6 8,-3.0 -4,-0.1 2,-0.5 -0.875 37.0-102.4-136.8 168.5 43.9 23.5 16.6 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.854 34.2-137.2 -97.3 132.8 41.7 24.6 13.7 20 20 A D > - 0 0 44 4,-2.8 3,-2.0 -2,-0.5 -1,-0.1 -0.008 42.1 -78.8 -73.3-173.4 40.4 22.0 11.3 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.719 134.0 50.1 -65.1 -21.7 40.3 22.2 7.5 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.381 123.7-102.8 -94.9 1.2 37.2 24.5 7.7 23 23 A G S < S+ 0 0 40 -3,-2.0 2,-0.4 1,-0.3 -2,-0.1 0.603 75.8 139.8 87.8 14.3 38.8 26.8 10.3 24 24 A Y - 0 0 78 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.751 60.9-101.6 -99.5 138.9 36.9 25.3 13.3 25 25 A Y E +A 19 0A 37 9,-0.4 8,-2.7 11,-0.4 9,-1.3 -0.327 54.8 160.2 -59.9 130.5 38.4 24.7 16.7 26 26 A T E -AB 18 32A 2 -8,-3.0 -8,-2.6 6,-0.3 2,-0.3 -0.882 19.8-166.2-147.9 160.1 39.2 21.0 17.2 27 27 A I E > + B 0 31A 0 4,-1.7 4,-2.4 -2,-0.3 -12,-0.2 -0.977 52.1 2.6-149.9 163.9 41.3 18.8 19.3 28 28 A G E 4 S-A 14 0A 1 -14,-2.4 -14,-1.7 -2,-0.3 2,-1.0 -0.384 124.4 -5.0 70.1-131.0 42.6 15.2 19.5 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.672 128.8 -54.2-101.3 72.9 41.6 13.0 16.5 30 30 A G T 4 S+ 0 0 12 -2,-1.0 2,-1.1 -19,-0.4 -2,-0.2 0.810 81.6 164.2 63.0 33.3 39.3 15.4 14.7 31 31 A H E < -B 27 0A 32 -4,-2.4 -4,-1.7 -20,-0.1 -1,-0.2 -0.725 32.0-141.8 -83.7 104.3 37.1 16.1 17.6 32 32 A L E -B 26 0A 74 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.462 19.6-175.5 -64.8 128.2 35.2 19.3 16.6 33 33 A L - 0 0 12 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.880 58.3 -34.6 -91.5 -46.2 34.8 21.5 19.6 34 34 A T - 0 0 32 -9,-1.3 -9,-0.4 2,-0.1 -1,-0.4 -0.967 35.1-129.2-169.8 156.8 32.7 24.4 18.2 35 35 A K S S+ 0 0 107 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.450 75.6 115.9 -92.2 -1.4 32.0 26.4 15.1 36 36 A S - 0 0 36 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.410 66.5-141.6 -65.7 137.4 32.4 29.6 17.2 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.505 75.9 102.2 -75.5 -2.8 35.3 31.8 16.4 38 38 A S >> - 0 0 58 1,-0.2 4,-1.6 2,-0.0 3,-0.5 -0.737 60.6-158.7 -87.9 113.7 35.8 32.5 20.1 39 39 A L H 3> S+ 0 0 69 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.844 93.7 58.5 -58.2 -35.5 38.7 30.4 21.5 40 40 A N H 3> S+ 0 0 120 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.876 103.6 51.8 -62.1 -37.1 37.2 30.8 25.0 41 41 A A H <> S+ 0 0 33 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.885 109.9 49.5 -64.9 -39.1 34.0 29.1 23.8 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.896 109.3 51.7 -65.1 -42.1 36.1 26.2 22.4 43 43 A K H X S+ 0 0 58 -4,-2.4 4,-2.6 2,-0.2 11,-0.3 0.877 108.7 51.4 -62.6 -38.8 38.0 25.9 25.7 44 44 A S H X S+ 0 0 68 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.940 109.8 49.1 -62.7 -47.4 34.6 25.7 27.5 45 45 A E H X S+ 0 0 66 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.893 111.1 51.2 -58.7 -40.1 33.5 22.9 25.1 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.3 0.948 109.9 47.6 -61.5 -50.9 36.7 21.1 25.7 47 47 A D H X>S+ 0 0 40 -4,-2.6 4,-2.5 1,-0.2 5,-0.9 0.881 112.8 50.2 -59.4 -38.6 36.4 21.3 29.5 48 48 A K H <5S+ 0 0 139 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 111.7 48.0 -64.6 -42.2 32.8 20.1 29.3 49 49 A A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.861 121.5 34.3 -68.0 -36.7 33.8 17.1 27.0 50 50 A I H <5S- 0 0 36 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.758 101.6-126.9 -92.6 -28.5 36.7 16.0 29.2 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.758 77.5 70.7 83.7 27.6 35.3 16.9 32.7 52 52 A R S - 0 0 7 -2,-1.0 3,-1.5 -11,-0.3 -1,-0.2 0.650 29.9-144.2 -90.6 -21.3 42.1 21.5 30.4 55 55 A N T 3 S- 0 0 127 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.872 74.6 -54.6 52.8 39.5 43.3 25.0 29.5 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.9 1,-0.2 2,-0.4 0.554 119.6 98.6 77.9 9.6 43.3 23.9 25.8 57 57 A V B < +C 16 0B 70 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.990 43.4 176.1-133.0 137.6 45.4 20.8 26.3 58 58 A I - 0 0 5 -43,-2.4 2,-0.2 -2,-0.4 -30,-0.1 -0.834 27.6-108.8-130.5 170.7 44.6 17.0 26.7 59 59 A T > - 0 0 67 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.533 32.6-108.4 -92.9 166.0 46.4 13.7 26.9 60 60 A K H > S+ 0 0 87 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.912 121.3 53.6 -58.7 -42.7 46.6 11.0 24.3 61 61 A D H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.915 109.7 48.1 -59.4 -42.6 44.3 8.8 26.5 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.910 110.7 50.6 -64.7 -42.0 41.7 11.6 26.6 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.914 111.2 49.0 -60.2 -43.6 42.0 12.1 22.8 64 64 A E H X S+ 0 0 78 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.860 108.1 53.9 -66.8 -34.3 41.4 8.4 22.3 65 65 A K H X S+ 0 0 137 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.936 110.1 46.2 -66.2 -45.1 38.4 8.4 24.7 66 66 A L H X S+ 0 0 6 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.908 111.1 54.3 -59.7 -40.2 36.7 11.2 22.7 67 67 A F H X S+ 0 0 9 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.922 107.0 49.7 -61.3 -46.6 37.5 9.4 19.5 68 68 A N H X S+ 0 0 87 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.925 113.6 46.4 -55.7 -48.9 35.8 6.2 20.7 69 69 A Q H X S+ 0 0 100 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.917 113.1 49.8 -60.6 -43.4 32.8 8.2 21.7 70 70 A D H X S+ 0 0 35 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.897 112.3 45.5 -66.5 -42.7 32.8 10.1 18.4 71 71 A V H X S+ 0 0 7 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.946 115.0 48.8 -64.2 -47.8 33.0 6.9 16.2 72 72 A D H X S+ 0 0 100 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.924 112.2 48.1 -55.0 -50.3 30.3 5.2 18.3 73 73 A A H X S+ 0 0 62 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.854 107.7 55.8 -64.6 -35.2 28.0 8.2 18.0 74 74 A A H X S+ 0 0 13 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.942 111.1 44.1 -61.8 -47.6 28.6 8.4 14.3 75 75 A V H X S+ 0 0 32 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.944 113.5 49.7 -60.8 -50.2 27.4 4.8 13.8 76 76 A R H X S+ 0 0 128 -4,-2.6 4,-1.0 1,-0.2 -1,-0.2 0.877 111.2 51.1 -60.4 -37.2 24.5 5.2 16.1 77 77 A G H >X S+ 0 0 8 -4,-2.4 4,-0.9 2,-0.2 3,-0.8 0.938 107.2 51.6 -62.5 -49.9 23.4 8.3 14.3 78 78 A I H >< S+ 0 0 3 -4,-2.4 3,-1.0 1,-0.3 7,-0.5 0.913 108.7 52.6 -51.9 -45.8 23.6 6.6 10.9 79 79 A L H 3< S+ 0 0 60 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.745 108.9 49.4 -66.7 -24.0 21.4 3.9 12.2 80 80 A R H << S+ 0 0 176 -4,-1.0 2,-0.7 -3,-0.8 -1,-0.3 0.557 91.9 92.9 -89.9 -8.8 18.8 6.4 13.4 81 81 A N XX - 0 0 40 -3,-1.0 4,-3.1 -4,-0.9 3,-0.6 -0.776 64.5-155.0 -92.9 114.7 18.7 8.2 10.1 82 82 A A T 34 S+ 0 0 90 -2,-0.7 -1,-0.1 1,-0.3 -4,-0.0 0.734 95.1 48.9 -60.6 -27.1 16.0 6.9 7.8 83 83 A K T 34 S+ 0 0 89 2,-0.1 4,-0.4 1,-0.1 -1,-0.3 0.811 120.0 35.5 -79.3 -32.4 17.9 8.0 4.6 84 84 A L T <> S+ 0 0 14 -3,-0.6 4,-2.9 -6,-0.2 3,-0.3 0.848 101.0 70.4 -94.1 -39.0 21.2 6.5 5.7 85 85 A K H X S+ 0 0 69 -4,-3.1 4,-3.1 -7,-0.5 5,-0.2 0.884 98.0 49.8 -51.9 -49.5 20.3 3.2 7.5 86 86 A P H > S+ 0 0 60 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.902 115.7 43.5 -59.9 -38.6 19.1 1.3 4.5 87 87 A V H >> S+ 0 0 9 -4,-0.4 4,-0.8 -3,-0.3 3,-0.6 0.957 115.1 48.5 -69.0 -48.5 22.3 2.2 2.5 88 88 A Y H >< S+ 0 0 26 -4,-2.9 3,-1.3 1,-0.3 -3,-0.2 0.928 111.5 49.5 -56.4 -48.7 24.6 1.5 5.4 89 89 A D H 3< S+ 0 0 78 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.754 105.5 58.9 -65.5 -22.0 23.0 -1.9 6.2 90 90 A S H << S+ 0 0 35 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.671 94.7 88.7 -77.6 -18.1 23.3 -2.8 2.5 91 91 A L S << S- 0 0 8 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.424 78.2-117.2 -84.3 154.7 27.1 -2.4 2.6 92 92 A D > - 0 0 54 -2,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.365 43.6 -95.8 -73.3 166.5 29.9 -4.8 3.5 93 93 A A H > S+ 0 0 71 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.815 121.5 52.0 -61.2 -34.9 32.0 -3.9 6.6 94 94 A V H >> S+ 0 0 31 2,-0.2 4,-1.3 1,-0.2 3,-0.6 0.959 112.1 44.8 -69.7 -47.8 34.9 -2.2 4.6 95 95 A R H 3> S+ 0 0 26 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.851 106.2 62.1 -64.7 -30.9 32.5 0.2 2.8 96 96 A R H 3X S+ 0 0 77 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.868 99.8 55.5 -58.6 -36.3 30.7 0.8 6.1 97 97 A C H 4 S+ 0 0 131 1,-0.2 3,-1.1 2,-0.2 4,-0.3 0.864 104.2 55.9 -63.0 -37.6 23.7 17.3 7.5 110 110 A G H >< S+ 0 0 30 -4,-0.8 3,-0.5 1,-0.2 -1,-0.2 0.828 105.9 50.5 -62.1 -34.5 26.9 17.2 5.3 111 111 A V G >< S+ 0 0 9 -4,-1.3 3,-1.7 1,-0.2 -1,-0.2 0.467 82.9 97.5 -84.8 -0.6 25.7 14.0 3.6 112 112 A A G X S+ 0 0 67 -3,-1.1 3,-0.6 -4,-0.3 -1,-0.2 0.819 82.1 49.3 -57.5 -37.2 22.2 15.4 2.9 113 113 A G G < S+ 0 0 72 -3,-0.5 3,-0.4 -4,-0.3 -1,-0.3 0.465 89.8 85.2 -83.0 -0.2 23.0 16.3 -0.7 114 114 A F G <> + 0 0 25 -3,-1.7 4,-2.9 1,-0.2 5,-0.2 0.202 48.5 122.1 -90.2 18.0 24.5 12.9 -1.4 115 115 A T H <> S+ 0 0 90 -3,-0.6 4,-2.0 1,-0.2 -1,-0.2 0.849 76.4 45.7 -46.1 -47.9 21.1 11.3 -2.3 116 116 A N H > S+ 0 0 81 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.901 113.4 49.0 -67.8 -40.0 22.2 10.2 -5.8 117 117 A S H > S+ 0 0 3 -3,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.912 110.5 52.5 -61.4 -44.6 25.5 8.8 -4.5 118 118 A L H X S+ 0 0 33 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.889 107.8 50.3 -59.8 -44.0 23.7 6.9 -1.8 119 119 A R H X S+ 0 0 114 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.925 110.8 49.2 -60.5 -45.1 21.3 5.3 -4.3 120 120 A M H <>S+ 0 0 30 -4,-2.0 5,-2.6 1,-0.2 4,-0.4 0.889 110.9 50.6 -64.1 -38.9 24.2 4.2 -6.4 121 121 A L H ><5S+ 0 0 4 -4,-2.5 3,-1.3 2,-0.2 -1,-0.2 0.928 110.2 48.7 -62.3 -45.9 26.0 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 93 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.865 111.4 50.7 -63.2 -34.4 22.8 0.8 -2.4 123 123 A Q T 3<5S- 0 0 83 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.523 111.6-125.5 -75.8 -8.7 22.6 -0.4 -6.0 124 124 A K T < 5 + 0 0 96 -3,-1.3 2,-1.4 -4,-0.4 -3,-0.2 0.810 60.1 148.1 61.8 34.0 26.3 -1.5 -5.8 125 125 A R >< + 0 0 123 -5,-2.6 4,-2.9 1,-0.2 -1,-0.2 -0.675 22.0 174.3 -92.5 77.1 27.1 0.5 -8.9 126 126 A W H > + 0 0 50 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.862 66.7 44.2 -67.6 -43.4 30.5 1.2 -7.5 127 127 A D H > S+ 0 0 113 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.923 116.8 47.9 -67.5 -40.7 32.3 3.0 -10.3 128 128 A E H > S+ 0 0 111 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.915 111.5 50.6 -63.8 -43.8 29.2 5.2 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -1,-0.2 0.922 109.2 51.7 -58.0 -45.2 28.9 6.0 -7.2 130 130 A A H X S+ 0 0 12 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.898 110.1 48.2 -61.3 -42.9 32.6 6.9 -7.1 131 131 A V H X S+ 0 0 100 -4,-2.2 4,-0.5 1,-0.2 3,-0.3 0.930 114.2 46.9 -60.8 -44.8 32.2 9.3 -10.0 132 132 A N H >< S+ 0 0 32 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.893 106.3 57.9 -67.7 -39.0 29.2 10.9 -8.4 133 133 A L H 3< S+ 0 0 1 -4,-2.9 6,-0.4 1,-0.3 -1,-0.2 0.821 101.6 56.6 -59.0 -33.1 30.8 11.2 -5.0 134 134 A A H 3< S+ 0 0 27 -4,-1.2 2,-1.8 -3,-0.3 -1,-0.3 0.624 84.6 83.2 -78.1 -14.3 33.6 13.3 -6.5 135 135 A K S << S+ 0 0 129 -3,-1.2 2,-0.3 -4,-0.5 -1,-0.2 -0.516 81.5 98.3 -85.2 68.8 31.2 15.9 -7.8 136 136 A S S > S- 0 0 16 -2,-1.8 4,-2.1 1,-0.1 5,-0.2 -0.994 86.0-117.4-155.7 151.8 31.1 17.6 -4.5 137 137 A R H > S+ 0 0 141 -2,-0.3 4,-2.9 1,-0.2 5,-0.3 0.913 115.7 62.3 -54.3 -43.6 32.3 20.4 -2.3 138 138 A W H > S+ 0 0 13 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.919 105.6 42.5 -48.5 -53.9 33.7 17.6 -0.1 139 139 A Y H 4 S+ 0 0 67 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 115.3 49.8 -63.1 -44.8 36.0 16.3 -2.9 140 140 A N H < S+ 0 0 111 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.877 116.3 40.5 -64.2 -37.0 37.1 19.8 -4.0 141 141 A Q H < S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.843 133.2 21.0 -83.5 -35.3 38.0 21.0 -0.5 142 142 A T S X S+ 0 0 19 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 -0.571 75.0 158.3-129.1 68.6 39.6 17.8 0.8 143 143 A P H > + 0 0 47 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.875 69.8 50.7 -66.5 -39.2 40.6 15.9 -2.4 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.933 116.9 40.8 -68.5 -38.5 43.3 13.6 -1.1 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.922 115.1 51.2 -69.8 -44.9 41.2 12.4 1.8 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.900 106.5 55.7 -60.6 -38.8 38.1 12.2 -0.4 147 147 A K H X S+ 0 0 75 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.908 108.8 47.3 -59.0 -41.5 40.1 10.2 -3.0 148 148 A R H X S+ 0 0 68 -4,-1.5 4,-1.7 2,-0.2 12,-0.2 0.929 114.9 45.0 -64.2 -46.0 41.0 7.6 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.925 113.7 49.9 -65.7 -42.8 37.4 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.905 108.0 52.8 -63.4 -42.4 36.0 7.1 -2.5 151 151 A T H X S+ 0 0 35 -4,-2.5 4,-2.5 -5,-0.2 6,-0.4 0.886 108.5 52.0 -58.5 -37.6 38.5 4.4 -3.4 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.930 111.9 45.0 -65.7 -45.2 37.3 2.5 -0.3 153 153 A F H < S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.8 48.7 -61.1 -37.7 33.6 2.9 -1.5 154 154 A R H < S+ 0 0 102 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.901 126.7 20.9 -71.9 -40.6 34.6 1.9 -5.0 155 155 A T H < S- 0 0 38 -4,-2.5 -3,-0.2 2,-0.2 -2,-0.2 0.668 83.5-134.4-106.5 -23.5 36.6 -1.3 -4.2 156 156 A G S < S+ 0 0 18 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.781 74.0 108.2 62.9 26.2 35.6 -2.4 -0.7 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.815 79.6-123.0-123.2 169.7 39.3 -2.8 0.0 158 158 A W >> + 0 0 58 -2,-0.3 3,-2.2 1,-0.2 4,-1.1 0.115 69.9 123.8 -95.7 19.8 41.8 -1.0 2.2 159 159 A D T 34 + 0 0 125 1,-0.3 3,-0.3 2,-0.2 -1,-0.2 0.803 69.3 55.7 -52.9 -34.7 44.1 -0.3 -0.8 160 160 A A T 34 S+ 0 0 30 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.624 113.4 40.7 -75.4 -12.1 44.0 3.5 -0.3 161 161 A Y T <4 0 0 3 -3,-2.2 -1,-0.2 -13,-0.1 -2,-0.2 0.481 360.0 360.0-114.9 -8.2 45.2 3.2 3.3 162 162 A K < 0 0 210 -4,-1.1 -3,-0.1 -3,-0.3 -2,-0.1 0.680 360.0 360.0 39.1 360.0 47.9 0.5 3.0