==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-MAR-03 1OVK . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR B.Q.WEI,W.A.BAASE,L.H.WEAVER,B.W.MATTHEWS,B.K.SHOICHET . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 120 74.1 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 . 6 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.6 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 85 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 141.6 43.4 -2.0 9.0 2 2 A N > - 0 0 70 95,-0.0 4,-2.6 1,-0.0 5,-0.2 -0.884 360.0 -84.3-144.6-179.9 40.3 -0.8 10.9 3 3 A I H > S+ 0 0 19 -2,-0.3 4,-3.3 1,-0.2 5,-0.2 0.848 122.7 51.7 -57.6 -41.3 38.2 2.4 11.3 4 4 A F H > S+ 0 0 71 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.887 112.2 44.5 -64.3 -43.1 40.4 3.7 14.1 5 5 A E H > S+ 0 0 90 2,-0.2 4,-1.8 -3,-0.2 -1,-0.2 0.913 114.0 52.8 -68.8 -42.2 43.6 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 3,-0.3 0.954 113.5 39.4 -59.0 -54.4 42.0 4.7 9.3 7 7 A L H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 5,-0.4 0.851 108.5 62.5 -69.1 -28.9 40.7 7.8 10.8 8 8 A R H X S+ 0 0 109 -4,-2.3 4,-1.1 -5,-0.2 -1,-0.2 0.867 107.2 47.0 -62.0 -30.0 43.9 8.2 12.8 9 9 A I H < S+ 0 0 85 -4,-1.8 -2,-0.2 -3,-0.3 -1,-0.2 0.918 114.1 45.2 -71.3 -48.7 45.6 8.5 9.6 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.820 125.0 29.2 -69.0 -34.4 43.1 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.7 19,-0.4 -5,-0.1 -1,-0.2 0.542 92.7-155.4-100.6 -14.8 42.8 13.3 11.1 12 12 A G < - 0 0 24 -4,-1.1 2,-0.4 -5,-0.4 -1,-0.1 -0.052 26.7 -80.3 65.1-170.9 46.2 12.9 12.7 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.970 43.5 174.2-134.6 120.5 46.7 13.6 16.5 14 14 A R E -A 28 0A 120 14,-1.9 14,-2.0 -2,-0.4 4,-0.1 -0.987 18.5-164.4-131.2 130.9 47.2 17.0 18.3 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.9 12,-0.1 2,-0.3 0.554 74.4 59.4 -87.2 -10.8 47.4 17.6 21.9 16 16 A K E S-C 57 0B 101 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.861 101.5 -82.0-117.9 150.8 46.8 21.4 21.9 17 17 A I E - 0 0 6 39,-1.6 2,-0.3 -2,-0.3 10,-0.2 -0.142 57.9-179.3 -50.6 141.9 43.8 23.2 20.5 18 18 A Y E -A 26 0A 26 8,-3.1 8,-3.6 -4,-0.1 2,-0.5 -0.942 31.2-112.3-143.0 169.0 44.0 23.7 16.9 19 19 A K E -A 25 0A 127 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.830 34.9-140.1 -99.9 130.0 42.2 25.1 13.9 20 20 A D > - 0 0 49 4,-2.7 3,-1.8 -2,-0.5 -1,-0.1 -0.159 38.4 -83.6 -79.1-173.7 40.9 22.6 11.4 21 21 A T T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.689 134.5 46.9 -62.4 -20.2 40.9 22.8 7.7 22 22 A E T 3 S- 0 0 84 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.446 125.2-101.8 -98.9 -3.0 37.7 25.0 7.9 23 23 A G S < S+ 0 0 34 -3,-1.8 2,-0.4 1,-0.3 -2,-0.1 0.538 75.0 139.1 92.9 19.9 39.2 27.2 10.7 24 24 A Y - 0 0 76 1,-0.1 -4,-2.7 9,-0.0 -1,-0.3 -0.787 60.3 -99.2-106.6 150.2 37.5 25.7 13.6 25 25 A Y E +AB 19 34A 32 9,-0.8 8,-3.1 11,-0.5 9,-1.4 -0.274 55.7 155.1 -60.4 121.3 38.6 24.8 17.0 26 26 A T E -AB 18 32A 3 -8,-3.6 -8,-3.1 6,-0.3 2,-0.3 -0.940 19.0-168.0-145.2 164.7 39.4 21.2 17.3 27 27 A I E > - B 0 31A 0 4,-2.2 4,-2.3 -2,-0.3 2,-0.2 -0.983 48.1 -0.3-154.6 163.3 41.6 18.9 19.3 28 28 A G E 4 S+A 14 0A 0 -14,-2.0 -14,-1.9 -2,-0.3 2,-1.0 -0.368 123.5 0.6 67.0-127.0 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 2 34,-0.4 -1,-0.2 -2,-0.2 -17,-0.1 -0.651 128.6 -57.1-104.0 76.4 41.9 13.2 16.8 30 30 A G T 4 S+ 0 0 14 -2,-1.0 2,-0.9 -19,-0.4 -2,-0.2 0.724 84.7 163.4 62.7 26.4 39.8 15.5 14.8 31 31 A H E < -B 27 0A 28 -4,-2.3 -4,-2.2 -20,-0.1 2,-0.3 -0.564 32.2-138.0 -83.5 116.1 37.5 16.3 17.7 32 32 A L E +B 26 0A 76 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.422 24.3 177.2 -70.8 127.6 35.5 19.4 16.9 33 33 A L E - 0 0 15 -8,-3.1 2,-0.3 -2,-0.3 -7,-0.2 0.929 58.2 -25.3 -95.0 -49.3 35.2 21.7 19.8 34 34 A T E -B 25 0A 25 -9,-1.4 -9,-0.8 2,-0.1 -1,-0.3 -0.981 31.3-138.4-165.1 153.6 33.3 24.6 18.3 35 35 A K S S+ 0 0 144 -2,-0.3 -1,-0.1 -11,-0.1 7,-0.0 0.657 78.1 101.4 -86.3 -14.7 32.3 26.6 15.4 36 36 A S S S- 0 0 48 1,-0.1 -11,-0.5 2,-0.1 -2,-0.1 -0.304 72.4-137.2 -69.7 154.9 32.7 29.8 17.2 37 37 A P S S+ 0 0 110 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.420 72.5 107.9 -89.8 -1.5 35.9 31.8 16.7 38 38 A S > - 0 0 60 1,-0.2 4,-2.3 2,-0.0 3,-0.4 -0.716 59.0-155.8 -81.1 111.4 36.2 32.6 20.4 39 39 A L H > S+ 0 0 56 -2,-0.8 4,-2.5 1,-0.3 -1,-0.2 0.800 95.7 56.0 -55.2 -27.0 39.2 30.6 21.6 40 40 A N H > S+ 0 0 107 2,-0.3 4,-3.0 1,-0.2 -1,-0.3 0.913 99.5 54.4 -75.2 -41.0 37.7 30.8 25.0 41 41 A A H > S+ 0 0 34 -3,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.941 110.8 52.9 -54.6 -40.2 34.4 29.3 23.9 42 42 A A H X S+ 0 0 0 -4,-2.3 4,-3.2 1,-0.2 -2,-0.3 0.930 107.3 46.6 -62.8 -47.5 36.8 26.6 22.7 43 43 A K H X S+ 0 0 49 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.942 110.7 53.8 -65.4 -35.4 38.6 26.1 26.0 44 44 A S H X S+ 0 0 74 -4,-3.0 4,-2.9 1,-0.2 5,-0.2 0.980 110.1 46.8 -58.9 -51.2 35.3 26.0 27.8 45 45 A E H X S+ 0 0 69 -4,-2.3 4,-2.5 -5,-0.2 -1,-0.2 0.922 111.1 52.9 -54.8 -44.2 34.1 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 5,-0.4 0.961 110.0 46.8 -59.9 -51.5 37.3 21.5 26.0 47 47 A D H X>S+ 0 0 33 -4,-3.0 4,-2.9 1,-0.2 5,-1.4 0.872 111.7 51.2 -56.4 -41.9 37.1 21.5 29.7 48 48 A K H <5S+ 0 0 139 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.878 112.6 45.9 -60.9 -44.3 33.5 20.4 29.6 49 49 A A H <5S+ 0 0 43 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.896 121.2 37.3 -67.8 -38.8 34.3 17.5 27.3 50 50 A I H <5S- 0 0 38 -4,-2.8 -2,-0.2 2,-0.3 -3,-0.2 0.831 102.9-129.1 -83.6 -33.7 37.3 16.4 29.3 51 51 A G T <5S+ 0 0 61 -4,-2.9 2,-0.3 1,-0.4 -3,-0.2 0.831 75.5 67.3 89.9 34.2 35.9 17.2 32.6 52 52 A R S - 0 0 7 -2,-0.9 3,-1.2 -11,-0.2 -1,-0.2 0.690 32.6-144.9 -88.8 -27.0 42.7 21.6 30.5 55 55 A N T 3 S- 0 0 129 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.926 74.8 -52.7 59.3 36.6 43.8 25.1 29.6 56 56 A G T 3 S+ 0 0 2 -13,-0.2 -39,-1.6 1,-0.2 2,-0.4 0.629 120.1 101.3 75.8 10.2 43.7 24.0 26.0 57 57 A V B < +C 16 0B 72 -3,-1.2 2,-0.3 -41,-0.2 -41,-0.2 -0.963 44.6 179.4-130.1 143.8 45.9 21.0 26.4 58 58 A I - 0 0 6 -43,-2.9 2,-0.2 -2,-0.4 -30,-0.1 -0.876 24.7-110.1-136.4 172.6 45.2 17.3 26.7 59 59 A T > - 0 0 60 -2,-0.3 4,-2.8 1,-0.1 5,-0.2 -0.482 31.5-111.8 -94.0 169.2 46.8 13.9 27.2 60 60 A K H > S+ 0 0 114 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.942 119.1 50.8 -62.4 -47.9 47.1 11.1 24.7 61 61 A D H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.890 109.8 50.4 -57.4 -42.3 44.8 9.0 26.6 62 62 A E H > S+ 0 0 34 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 109.3 50.7 -66.7 -43.7 42.2 11.8 26.8 63 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.3 -34,-0.4 0.932 110.6 49.8 -60.1 -41.8 42.4 12.3 23.1 64 64 A E H X S+ 0 0 70 -4,-2.8 4,-1.9 2,-0.2 -1,-0.3 0.787 106.5 56.0 -67.6 -27.4 41.9 8.7 22.6 65 65 A K H X S+ 0 0 135 -4,-1.5 4,-2.1 -5,-0.2 5,-0.3 0.942 108.1 47.1 -72.0 -42.3 39.0 8.7 24.9 66 66 A L H X S+ 0 0 4 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.907 109.1 56.6 -62.7 -34.5 37.3 11.4 22.8 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.9 1,-0.2 5,-0.4 0.915 105.0 51.2 -64.4 -40.3 38.1 9.5 19.8 68 68 A N H X S+ 0 0 90 -4,-1.9 4,-2.4 1,-0.3 -1,-0.2 0.936 111.6 45.0 -61.6 -45.2 36.3 6.4 21.0 69 69 A Q H X S+ 0 0 97 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.865 112.3 54.7 -65.9 -34.2 33.2 8.2 21.9 70 70 A D H X S+ 0 0 36 -4,-2.0 4,-1.6 -5,-0.3 -2,-0.2 0.890 108.3 45.8 -67.1 -41.1 33.4 10.0 18.6 71 71 A V H X S+ 0 0 9 -4,-2.9 4,-2.0 1,-0.2 5,-0.3 0.909 114.4 51.6 -66.3 -42.2 33.7 6.8 16.5 72 72 A D H X S+ 0 0 75 -4,-2.4 4,-2.5 -5,-0.4 5,-0.2 0.940 106.5 50.0 -57.8 -48.2 30.9 5.5 18.5 73 73 A A H X S+ 0 0 46 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.881 108.7 54.5 -56.6 -41.6 28.5 8.4 18.1 74 74 A A H X S+ 0 0 11 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.944 108.8 44.7 -63.8 -49.6 29.0 8.4 14.3 75 75 A V H X S+ 0 0 28 -4,-2.0 4,-3.8 1,-0.2 5,-0.2 0.947 114.8 50.1 -60.0 -45.3 28.1 4.8 13.7 76 76 A R H X S+ 0 0 111 -4,-2.5 4,-1.8 -5,-0.3 -1,-0.2 0.895 108.6 52.8 -61.0 -34.4 25.2 5.2 16.0 77 77 A G H X S+ 0 0 2 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.955 110.9 47.4 -63.3 -43.7 24.3 8.4 14.0 78 78 A I H >< S+ 0 0 4 -4,-2.8 3,-0.7 1,-0.2 7,-0.5 0.979 109.2 54.4 -58.3 -51.3 24.3 6.3 10.9 79 79 A L H 3< S+ 0 0 68 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.7 45.6 -55.8 -34.8 22.3 3.6 12.5 80 80 A R H 3< S+ 0 0 175 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.3 0.745 91.2 96.3 -82.3 -23.9 19.6 5.9 13.5 81 81 A N > S+ 0 0 9 -6,-0.2 4,-2.6 -7,-0.1 3,-1.0 0.928 101.7 67.1 -81.8 -46.6 21.7 6.2 5.9 85 85 A K H 3X S+ 0 0 94 -4,-3.4 4,-2.6 -7,-0.5 5,-0.2 0.893 99.9 48.8 -40.7 -57.5 21.0 2.9 7.7 86 86 A P H 3> S+ 0 0 60 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.834 112.9 48.7 -61.1 -29.0 19.8 0.9 4.8 87 87 A V H X> S+ 0 0 7 -3,-1.0 3,-1.0 -4,-0.4 4,-0.8 0.957 110.1 51.0 -74.0 -46.8 22.8 1.9 2.7 88 88 A Y H >< S+ 0 0 28 -4,-2.6 3,-1.0 1,-0.3 -1,-0.2 0.900 109.2 49.9 -56.0 -42.0 25.2 1.2 5.4 89 89 A D H 3< S+ 0 0 68 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.702 101.4 63.0 -75.2 -14.7 23.9 -2.3 6.0 90 90 A S H << S+ 0 0 39 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.714 93.3 89.5 -83.9 -6.6 24.0 -3.1 2.4 91 91 A L S << S- 0 0 11 -3,-1.0 2,-0.1 -4,-0.8 31,-0.0 -0.380 75.8-119.1 -87.3 160.6 27.8 -2.7 2.4 92 92 A D > - 0 0 55 -2,-0.1 4,-1.6 1,-0.1 -1,-0.1 -0.266 45.6 -89.2 -80.5 177.7 30.7 -5.0 3.1 93 93 A A H > S+ 0 0 79 1,-0.2 4,-0.8 2,-0.2 -2,-0.1 0.832 120.7 45.9 -65.6 -32.7 33.0 -4.4 5.9 94 94 A V H >> S+ 0 0 28 62,-0.2 4,-1.7 2,-0.2 3,-1.6 0.956 111.4 50.9 -75.7 -52.4 35.6 -2.2 4.3 95 95 A R H 3> S+ 0 0 24 1,-0.3 4,-1.9 2,-0.2 -2,-0.2 0.835 103.5 61.2 -54.4 -25.9 33.2 0.1 2.5 96 96 A R H 3X S+ 0 0 82 -4,-1.6 4,-2.2 2,-0.2 -1,-0.3 0.893 99.6 56.4 -67.7 -30.8 31.4 0.6 5.8 97 97 A C H S+ 0 0 59 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.772 125.5 59.9 -63.5 -31.3 25.1 12.7 9.3 109 109 A T H > S+ 0 0 116 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.993 104.3 45.5 -60.1 -68.0 23.4 15.7 7.9 110 110 A G H >< S+ 0 0 36 -4,-0.6 3,-1.0 1,-0.3 -2,-0.2 0.899 116.7 47.4 -46.3 -49.7 26.0 16.4 5.1 111 111 A V H >< S+ 0 0 9 -4,-2.1 3,-2.1 1,-0.3 -1,-0.3 0.882 101.4 64.5 -64.2 -37.4 26.1 12.7 4.2 112 112 A A H 3< S+ 0 0 25 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.807 97.1 58.2 -58.0 -24.1 22.3 12.5 4.2 113 113 A G T << S+ 0 0 58 -4,-1.1 2,-0.5 -3,-1.0 3,-0.3 0.467 77.8 90.2 -85.8 0.6 22.3 15.0 1.2 114 114 A F <> + 0 0 37 -3,-2.1 4,-3.2 1,-0.2 3,-0.4 -0.168 53.3 152.8 -90.0 43.8 24.5 12.7 -1.0 115 115 A T H > + 0 0 71 -2,-0.5 4,-2.2 1,-0.3 -1,-0.2 0.837 63.4 46.8 -39.0 -57.5 21.3 11.2 -2.2 116 116 A N H > S+ 0 0 80 -3,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.881 114.8 45.8 -61.0 -42.7 22.4 10.2 -5.6 117 117 A S H > S+ 0 0 2 -3,-0.4 4,-3.6 2,-0.2 5,-0.3 0.899 109.1 58.5 -66.9 -36.7 25.6 8.6 -4.4 118 118 A L H X S+ 0 0 19 -4,-3.2 4,-2.2 1,-0.3 -2,-0.2 0.934 108.1 45.3 -58.8 -44.3 23.7 7.0 -1.7 119 119 A R H X S+ 0 0 119 -4,-2.2 4,-1.9 -5,-0.3 -1,-0.3 0.944 111.1 50.9 -68.0 -40.1 21.7 5.4 -4.1 120 120 A M H <>S+ 0 0 30 -4,-2.3 5,-2.3 1,-0.2 -2,-0.2 0.923 109.8 51.3 -63.7 -39.4 24.5 4.3 -6.3 121 121 A L H ><5S+ 0 0 8 -4,-3.6 3,-1.6 1,-0.2 -1,-0.2 0.878 106.5 55.7 -63.7 -36.7 26.2 2.8 -3.4 122 122 A Q H 3<5S+ 0 0 95 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.927 107.7 47.1 -63.4 -34.4 23.2 1.0 -2.6 123 123 A Q T 3<5S- 0 0 85 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.333 114.3-115.0 -85.8 4.0 23.0 -0.6 -6.0 124 124 A K T < 5 + 0 0 97 -3,-1.6 2,-1.4 1,-0.2 3,-0.2 0.724 65.1 147.9 65.3 26.3 26.7 -1.6 -5.9 125 125 A R >< + 0 0 113 -5,-2.3 4,-3.1 1,-0.2 5,-0.3 -0.480 18.0 171.4 -92.0 66.3 27.6 0.8 -8.8 126 126 A W H > S+ 0 0 52 -2,-1.4 4,-2.2 1,-0.2 -1,-0.2 0.837 71.3 43.1 -41.9 -61.7 31.1 1.5 -7.5 127 127 A D H > S+ 0 0 116 -3,-0.2 4,-2.0 2,-0.2 5,-0.2 0.940 114.8 51.4 -62.5 -39.6 32.5 3.4 -10.3 128 128 A E H > S+ 0 0 120 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.942 111.4 46.4 -61.1 -44.5 29.4 5.4 -10.8 129 129 A A H X S+ 0 0 1 -4,-3.1 4,-3.4 1,-0.2 -1,-0.2 0.870 107.9 57.4 -66.0 -34.4 29.2 6.4 -7.2 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.925 107.3 46.6 -63.8 -43.9 32.9 7.3 -7.1 131 131 A V H X S+ 0 0 95 -4,-2.0 4,-0.7 1,-0.2 -1,-0.2 0.956 114.6 49.7 -64.2 -42.9 32.5 9.8 -9.9 132 132 A N H >< S+ 0 0 34 -4,-2.0 3,-1.4 -5,-0.2 -2,-0.2 0.939 105.3 55.0 -60.9 -45.7 29.4 11.2 -8.2 133 133 A L H 3< S+ 0 0 1 -4,-3.4 6,-0.4 1,-0.2 -1,-0.2 0.938 102.5 58.4 -55.2 -39.1 31.0 11.6 -4.9 134 134 A A H 3< S+ 0 0 26 -4,-1.7 2,-1.9 1,-0.2 -1,-0.2 0.672 84.7 82.0 -66.4 -17.2 33.9 13.7 -6.4 135 135 A K S << S+ 0 0 161 -3,-1.4 2,-0.3 -4,-0.7 -1,-0.2 -0.510 81.2 92.9 -89.0 69.4 31.4 16.2 -7.7 136 136 A S S > S- 0 0 17 -2,-1.9 4,-2.1 1,-0.1 5,-0.2 -0.986 85.4-113.3-157.5 162.6 31.2 17.9 -4.3 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.4 1,-0.2 5,-0.3 0.895 114.9 62.0 -65.8 -36.5 32.6 20.6 -2.2 138 138 A W H > S+ 0 0 18 2,-0.2 4,-2.2 1,-0.2 8,-0.2 0.926 105.9 43.2 -53.3 -51.8 34.0 18.0 0.1 139 139 A Y H 4 S+ 0 0 66 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.969 115.2 50.7 -60.6 -51.3 36.2 16.6 -2.6 140 140 A N H < S+ 0 0 103 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.837 115.4 41.1 -55.5 -38.0 37.2 20.1 -3.8 141 141 A Q H < S+ 0 0 110 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.914 132.0 21.0 -84.3 -34.4 38.2 21.3 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 -0.522 73.4 159.5-130.0 67.3 39.9 18.2 0.9 143 143 A P H > + 0 0 47 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.801 67.6 54.6 -55.6 -41.9 40.9 16.3 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.4 1,-0.2 -2,-0.1 0.991 116.5 36.7 -65.0 -49.3 43.7 14.1 -0.8 145 145 A R H >> S+ 0 0 24 2,-0.2 4,-2.2 1,-0.2 3,-0.7 0.961 115.6 53.8 -61.5 -54.0 41.6 12.7 1.9 146 146 A A H 3X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.3 5,-0.3 0.940 105.3 55.3 -48.6 -47.7 38.5 12.6 -0.2 147 147 A K H 3X S+ 0 0 87 -4,-3.0 4,-2.7 1,-0.2 -1,-0.3 0.861 106.5 52.2 -54.1 -38.6 40.4 10.6 -2.8 148 148 A R H S+ 0 0 50 -2,-0.2 3,-1.9 1,-0.2 4,-0.4 0.154 73.6 120.3 -93.5 13.8 42.6 -0.7 2.0 159 159 A D G > S+ 0 0 120 1,-0.3 3,-2.2 2,-0.2 -1,-0.2 0.872 70.2 54.9 -44.9 -45.2 44.9 0.1 -1.0 160 160 A A G 3 S+ 0 0 32 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.703 109.6 46.9 -65.8 -20.2 44.5 3.8 -0.6 161 161 A Y G < 0 0 7 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.394 360.0 360.0-103.4 6.5 45.6 3.5 2.9 162 162 A K < 0 0 208 -3,-2.2 -1,-0.3 -4,-0.4 -2,-0.1 -0.221 360.0 360.0 51.3 360.0 48.4 1.3 1.7