==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 15-JUN-09 3HUQ . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.E.BOYCE,D.L.MOBLEY,G.J.ROCKLIN,A.P.GRAVES,K.A.DILL, . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8915.0 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 . 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 . 13 8.0 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 1 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 143.5 53.0 -15.9 -7.1 2 2 A N > - 0 0 68 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.905 360.0 -83.2-153.3 176.7 50.5 -18.2 -5.3 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.839 125.9 51.5 -59.4 -36.1 46.8 -18.5 -4.9 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.945 112.7 43.8 -66.6 -47.0 46.8 -15.9 -2.0 5 5 A E H > S+ 0 0 98 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.889 114.9 51.4 -63.4 -38.8 48.7 -13.3 -3.9 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.948 113.6 41.5 -64.6 -52.2 46.6 -14.0 -7.0 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 1,-0.2 5,-0.3 0.842 109.7 59.9 -67.0 -31.7 43.3 -13.6 -5.3 8 8 A R H X S+ 0 0 107 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.904 108.5 45.0 -60.6 -39.9 44.6 -10.6 -3.3 9 9 A I H < S+ 0 0 89 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.941 117.9 43.3 -65.7 -46.7 45.3 -8.8 -6.7 10 10 A D H < S+ 0 0 20 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.818 124.4 32.7 -71.9 -31.6 41.9 -9.8 -8.1 11 11 A E H < S- 0 0 41 -4,-2.8 19,-0.4 -5,-0.2 -1,-0.2 0.660 92.7-151.5-100.0 -21.7 39.8 -9.1 -5.0 12 12 A G < - 0 0 22 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.2 -0.156 22.1 -90.9 74.5-175.2 41.6 -6.1 -3.4 13 13 A L + 0 0 43 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.947 44.4 166.8-140.5 117.3 41.5 -5.4 0.3 14 14 A R E -A 28 0A 140 14,-2.0 14,-2.5 -2,-0.4 4,-0.1 -1.000 21.9-160.4-132.6 133.4 38.9 -3.2 1.9 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.7 12,-0.2 2,-0.3 0.541 74.2 63.0 -94.7 -7.7 38.4 -3.0 5.7 16 16 A K E S-C 57 0B 139 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.879 101.4 -85.8-113.5 149.0 34.9 -1.5 5.6 17 17 A I E + 0 0 29 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.274 58.4 167.7 -50.7 129.8 31.7 -3.1 4.1 18 18 A Y E -A 26 0A 26 8,-2.6 8,-3.1 -4,-0.1 2,-0.5 -0.892 37.8-101.8-137.4 168.5 31.6 -2.3 0.4 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.838 35.0-137.3 -96.9 132.9 29.5 -3.6 -2.5 20 20 A D > - 0 0 47 4,-2.8 3,-2.1 -2,-0.5 -1,-0.1 0.012 42.6 -77.2 -73.4-172.2 31.2 -6.1 -4.9 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.714 135.1 50.1 -64.0 -21.8 30.9 -6.1 -8.7 22 22 A E T 3 S- 0 0 72 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.367 123.2-103.6 -96.3 3.0 27.4 -7.5 -8.4 23 23 A G S < S+ 0 0 37 -3,-2.1 2,-0.4 1,-0.3 -2,-0.1 0.589 75.8 139.5 85.4 13.9 26.3 -5.0 -5.9 24 24 A Y - 0 0 79 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.744 61.4-101.7-100.4 138.4 26.5 -7.4 -2.9 25 25 A Y E +A 19 0A 34 9,-0.5 8,-2.8 11,-0.4 9,-1.3 -0.334 54.8 159.4 -60.4 128.4 27.8 -6.5 0.5 26 26 A T E -AB 18 32A 3 -8,-3.1 -8,-2.6 6,-0.3 2,-0.3 -0.877 18.9-168.4-145.2 160.9 31.4 -7.7 0.9 27 27 A I E > + B 0 31A 0 4,-1.8 4,-2.4 -2,-0.3 2,-0.2 -0.977 51.3 5.4-150.8 164.7 34.4 -7.0 3.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-2.0 -2,-0.3 2,-0.8 -0.420 123.4 -8.2 73.2-129.5 38.1 -7.8 3.3 29 29 A I T 4 S- 0 0 7 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.721 129.4 -50.2-107.1 74.7 39.6 -9.7 0.4 30 30 A G T 4 S+ 0 0 14 -2,-0.8 2,-1.0 -19,-0.4 -2,-0.2 0.799 83.3 162.4 65.9 30.9 36.4 -10.6 -1.4 31 31 A H E < -B 27 0A 29 -4,-2.4 -4,-1.8 -20,-0.1 2,-0.2 -0.727 31.4-144.5 -84.1 103.1 34.5 -12.0 1.6 32 32 A L E -B 26 0A 73 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.478 18.9-176.9 -66.1 128.8 30.9 -12.0 0.5 33 33 A L - 0 0 12 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.872 58.9 -33.1 -93.1 -47.5 28.6 -11.2 3.5 34 34 A T - 0 0 31 -9,-1.3 -9,-0.5 2,-0.1 -1,-0.4 -0.971 34.0-131.5-167.5 157.3 25.2 -11.5 2.0 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.439 76.1 114.4 -92.7 -2.3 23.2 -11.0 -1.2 36 36 A S - 0 0 39 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.417 68.3-140.1 -65.3 138.2 20.5 -9.1 0.9 37 37 A P S S+ 0 0 120 0, 0.0 2,-0.8 0, 0.0 -1,-0.1 0.502 76.7 103.5 -75.7 -2.5 20.1 -5.4 0.1 38 38 A D >> - 0 0 77 1,-0.2 4,-1.7 2,-0.0 3,-0.6 -0.728 59.4-160.6 -87.0 111.6 19.8 -4.8 3.8 39 39 A L H 3> S+ 0 0 64 -2,-0.8 4,-2.5 1,-0.2 -1,-0.2 0.831 92.6 59.2 -56.8 -35.0 23.0 -3.4 5.2 40 40 A N H 3> S+ 0 0 111 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 103.1 51.8 -63.5 -37.7 21.9 -4.5 8.7 41 41 A A H <> S+ 0 0 31 -3,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.907 110.2 49.1 -63.1 -41.7 21.8 -8.1 7.5 42 42 A A H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.903 109.9 51.4 -62.7 -42.9 25.4 -7.7 6.1 43 43 A K H X S+ 0 0 56 -4,-2.5 4,-2.5 2,-0.2 11,-0.3 0.876 109.2 50.6 -63.5 -37.9 26.5 -6.2 9.5 44 44 A S H X S+ 0 0 73 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.932 110.1 49.5 -64.5 -45.8 25.0 -9.2 11.3 45 45 A E H X S+ 0 0 70 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.909 110.9 51.1 -59.0 -41.5 26.8 -11.6 9.0 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.3 0.947 109.4 48.5 -60.4 -50.4 30.0 -9.7 9.6 47 47 A D H X>S+ 0 0 36 -4,-2.5 4,-2.4 1,-0.2 5,-0.9 0.885 112.4 49.4 -58.9 -40.1 29.7 -9.9 13.3 48 48 A K H <5S+ 0 0 142 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.885 111.9 49.2 -63.7 -41.0 28.9 -13.6 13.2 49 49 A A H <5S+ 0 0 41 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.872 120.7 34.0 -68.7 -36.8 32.0 -14.1 10.9 50 50 A I H <5S- 0 0 38 -4,-2.4 -2,-0.2 2,-0.3 -1,-0.2 0.737 101.7-126.8 -93.3 -26.4 34.4 -12.2 13.2 51 51 A G T <5S+ 0 0 69 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.719 78.6 72.4 84.0 22.7 32.9 -13.1 16.6 52 52 A R S - 0 0 9 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.624 31.0-144.4 -94.5 -18.2 32.3 -4.8 14.2 55 55 A N T 3 S- 0 0 109 1,-0.2 -2,-0.1 -12,-0.1 3,-0.1 0.903 74.5 -52.1 41.3 50.8 29.9 -2.1 13.1 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-2.0 1,-0.1 2,-0.4 0.515 119.4 96.4 77.6 8.1 30.9 -2.7 9.5 57 57 A V B < +C 16 0B 68 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.992 43.7 177.1-134.2 137.3 34.7 -2.4 10.0 58 58 A I - 0 0 4 -43,-2.7 2,-0.2 -2,-0.4 -30,-0.1 -0.844 27.8-108.7-129.2 169.8 37.5 -5.0 10.4 59 59 A T > - 0 0 69 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.511 33.2-108.0 -91.1 165.6 41.3 -5.0 10.8 60 60 A K H > S+ 0 0 112 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.901 121.3 53.7 -58.2 -42.3 43.7 -6.3 8.2 61 61 A D H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.906 109.6 48.0 -59.9 -43.2 44.4 -9.4 10.3 62 62 A E H > S+ 0 0 41 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.909 110.9 50.7 -65.2 -42.1 40.7 -10.1 10.5 63 63 A A H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -34,-0.4 0.908 110.7 49.2 -59.0 -43.5 40.4 -9.7 6.7 64 64 A E H X S+ 0 0 74 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.850 108.0 54.4 -68.8 -31.8 43.3 -12.1 6.2 65 65 A K H X S+ 0 0 137 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.943 109.7 45.9 -65.3 -46.6 41.7 -14.6 8.5 66 66 A L H X S+ 0 0 4 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.901 112.0 53.7 -60.2 -39.0 38.5 -14.6 6.5 67 67 A F H X S+ 0 0 10 -4,-2.2 4,-2.9 2,-0.2 5,-0.3 0.928 107.3 49.6 -64.0 -44.7 40.6 -14.9 3.4 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.932 114.3 45.7 -57.6 -46.8 42.4 -18.0 4.7 69 69 A Q H X S+ 0 0 98 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.918 113.4 49.5 -62.7 -42.9 39.1 -19.6 5.6 70 70 A D H X S+ 0 0 37 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.888 112.1 46.3 -68.7 -41.0 37.6 -18.7 2.3 71 71 A V H X S+ 0 0 6 -4,-2.9 4,-2.5 2,-0.2 5,-0.2 0.952 114.1 49.1 -64.5 -46.9 40.5 -20.0 0.2 72 72 A D H X S+ 0 0 96 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.938 113.4 46.7 -55.9 -51.4 40.6 -23.3 2.2 73 73 A A H X S+ 0 0 63 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.861 110.2 53.7 -63.0 -35.8 36.8 -23.7 1.9 74 74 A A H X S+ 0 0 12 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.951 112.7 42.4 -62.0 -50.6 37.0 -23.0 -1.9 75 75 A V H X S+ 0 0 32 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.919 114.8 49.9 -64.5 -43.5 39.6 -25.7 -2.5 76 76 A R H X S+ 0 0 120 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.879 108.0 54.7 -64.0 -36.8 38.0 -28.2 -0.2 77 77 A G H X S+ 0 0 12 -4,-2.3 4,-0.7 -5,-0.2 -1,-0.2 0.912 105.7 52.5 -60.5 -43.7 34.7 -27.6 -2.0 78 78 A I H >< S+ 0 0 2 -4,-1.9 3,-1.3 1,-0.2 7,-0.5 0.944 109.3 49.1 -55.5 -49.0 36.3 -28.4 -5.3 79 79 A L H 3< S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.797 111.0 50.5 -63.8 -28.4 37.6 -31.7 -3.9 80 80 A R H 3< S+ 0 0 179 -4,-1.6 2,-0.6 -5,-0.2 -1,-0.3 0.516 92.6 90.8 -85.6 -6.5 34.1 -32.5 -2.6 81 81 A N S+ 0 0 12 -6,-0.2 4,-3.0 -7,-0.1 5,-0.2 0.850 101.1 70.1 -88.3 -36.4 35.2 -30.5 -10.4 85 85 A K H X S+ 0 0 97 -4,-3.0 4,-3.1 -7,-0.5 5,-0.2 0.902 99.1 46.7 -52.8 -52.1 37.6 -32.9 -8.5 86 86 A P H > S+ 0 0 58 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.886 115.7 47.0 -61.8 -34.3 38.8 -34.9 -11.5 87 87 A V H >> S+ 0 0 9 -4,-0.5 4,-0.8 -3,-0.2 3,-0.5 0.956 113.9 47.3 -68.8 -48.2 39.4 -31.8 -13.6 88 88 A Y H >< S+ 0 0 34 -4,-3.0 3,-1.4 1,-0.2 -1,-0.2 0.936 111.4 50.5 -56.2 -48.3 41.2 -30.1 -10.7 89 89 A D H 3< S+ 0 0 79 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.1 58.5 -66.7 -21.4 43.4 -33.1 -10.0 90 90 A S H << S+ 0 0 36 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.673 94.5 88.7 -76.9 -18.7 44.3 -33.3 -13.7 91 91 A L S << S- 0 0 7 -3,-1.4 2,-0.1 -4,-0.8 31,-0.0 -0.445 78.0-117.2 -85.1 153.6 45.7 -29.8 -13.6 92 92 A D > - 0 0 53 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.308 43.9 -92.9 -71.2 169.7 49.2 -28.6 -12.8 93 93 A A H > S+ 0 0 78 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.828 122.7 48.8 -60.5 -39.1 49.7 -26.3 -9.8 94 94 A V H > S+ 0 0 28 62,-0.2 4,-1.4 2,-0.2 3,-0.5 0.949 112.8 46.4 -70.0 -45.9 49.4 -23.0 -11.6 95 95 A R H > S+ 0 0 25 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.854 105.3 61.6 -66.3 -30.5 46.2 -23.9 -13.4 96 96 A R H X S+ 0 0 80 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.889 101.1 54.7 -58.0 -38.1 44.8 -25.3 -10.1 97 97 A C H X S+ 0 0 17 -4,-1.3 4,-2.6 -3,-0.5 -1,-0.2 0.896 104.8 52.1 -62.4 -40.6 45.2 -21.7 -8.9 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.911 109.6 50.4 -59.9 -40.8 43.1 -20.4 -11.8 99 99 A A H X S+ 0 0 16 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.916 110.9 47.5 -62.8 -45.6 40.4 -23.0 -10.9 100 100 A I H X S+ 0 0 6 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.921 111.1 52.6 -61.3 -43.2 40.4 -21.9 -7.2 101 101 A N H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.940 109.9 47.3 -57.9 -49.6 40.2 -18.3 -8.3 102 102 A Q H X S+ 0 0 7 -4,-2.5 4,-2.9 1,-0.2 5,-0.3 0.924 114.2 46.2 -61.0 -44.9 37.2 -18.9 -10.5 103 103 A V H X S+ 0 0 12 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.889 109.7 55.4 -65.5 -39.8 35.4 -20.9 -7.8 104 104 A F H < S+ 0 0 31 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.921 116.4 37.4 -56.6 -43.8 36.2 -18.2 -5.2 105 105 A Q H < S+ 0 0 50 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.930 132.9 22.1 -74.4 -45.8 34.6 -15.6 -7.5 106 106 A M H X S- 0 0 50 -4,-2.9 4,-1.1 -5,-0.2 -3,-0.2 0.542 94.7-136.5-103.9 -16.7 31.6 -17.5 -8.9 107 107 A G H X - 0 0 27 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 -0.046 41.5 -70.1 73.7 174.9 31.0 -20.4 -6.4 108 108 A E H > S+ 0 0 70 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.799 135.5 58.7 -74.0 -28.4 30.3 -23.9 -7.5 109 109 A T H 4 S+ 0 0 125 2,-0.2 4,-0.5 1,-0.2 3,-0.2 0.929 108.4 48.1 -61.3 -42.6 26.9 -23.0 -8.8 110 110 A G H >< S+ 0 0 19 -4,-1.1 3,-1.2 1,-0.2 -2,-0.2 0.920 111.0 47.6 -62.4 -47.2 28.7 -20.5 -11.1 111 111 A V H >< S+ 0 0 6 -4,-1.9 3,-1.9 1,-0.3 -1,-0.2 0.683 94.1 77.8 -73.5 -15.5 31.3 -23.1 -12.3 112 112 A A G >< S+ 0 0 58 -4,-1.3 3,-0.7 1,-0.3 -1,-0.3 0.787 85.1 63.5 -62.3 -25.7 28.5 -25.6 -13.0 113 113 A G G < S+ 0 0 69 -3,-1.2 3,-0.3 -4,-0.5 -1,-0.3 0.523 89.6 74.4 -72.5 -2.0 27.7 -23.6 -16.1 114 114 A F G <> + 0 0 18 -3,-1.9 4,-3.0 1,-0.2 5,-0.2 0.061 49.1 129.1-107.6 27.2 31.2 -24.5 -17.4 115 115 A T H <> S+ 0 0 80 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.871 79.2 45.7 -46.1 -49.5 30.8 -28.2 -18.4 116 116 A N H > S+ 0 0 83 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.905 113.7 48.0 -69.1 -39.7 32.3 -27.7 -21.8 117 117 A S H > S+ 0 0 2 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.915 111.0 52.7 -62.4 -44.5 35.2 -25.6 -20.6 118 118 A L H X S+ 0 0 23 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.889 107.9 50.2 -58.7 -44.2 35.9 -28.2 -17.9 119 119 A R H X S+ 0 0 118 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.930 111.3 48.5 -61.7 -46.3 36.1 -31.0 -20.4 120 120 A M H <>S+ 0 0 27 -4,-2.1 5,-2.6 2,-0.2 4,-0.3 0.893 111.3 50.3 -62.5 -39.4 38.5 -29.0 -22.6 121 121 A L H ><5S+ 0 0 4 -4,-2.5 3,-1.4 2,-0.2 -2,-0.2 0.935 110.3 49.4 -62.3 -45.2 40.7 -28.2 -19.6 122 122 A Q H 3<5S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.866 110.8 50.6 -63.4 -33.8 40.7 -31.9 -18.6 123 123 A Q T 3<5S- 0 0 82 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.520 112.0-124.9 -76.6 -7.7 41.7 -32.7 -22.2 124 124 A K T < 5 + 0 0 96 -3,-1.4 2,-1.3 -4,-0.3 -3,-0.2 0.829 60.9 147.6 60.9 35.3 44.5 -30.1 -22.0 125 125 A R >< + 0 0 122 -5,-2.6 4,-2.8 1,-0.2 5,-0.2 -0.689 22.1 174.4 -93.2 76.0 43.1 -28.4 -25.0 126 126 A W H > + 0 0 48 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.849 67.5 43.8 -65.1 -43.5 44.3 -25.1 -23.6 127 127 A D H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.916 116.6 48.6 -69.3 -39.6 43.5 -22.6 -26.4 128 128 A E H > S+ 0 0 110 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.919 111.3 50.1 -63.2 -43.1 40.1 -24.2 -27.0 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.918 109.4 51.9 -60.6 -43.9 39.3 -24.1 -23.3 130 130 A A H X S+ 0 0 11 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.900 109.6 48.8 -62.4 -41.7 40.3 -20.4 -23.2 131 131 A V H X S+ 0 0 86 -4,-2.2 4,-0.6 1,-0.2 3,-0.3 0.941 114.2 46.1 -61.7 -45.6 38.1 -19.5 -26.1 132 132 A N H >< S+ 0 0 40 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.886 106.9 57.7 -66.0 -39.6 35.2 -21.4 -24.5 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.835 102.1 56.0 -59.4 -35.0 35.8 -19.8 -21.1 134 134 A A H 3< S+ 0 0 27 -4,-1.4 2,-1.9 -3,-0.3 -1,-0.3 0.637 85.6 82.4 -75.5 -15.7 35.4 -16.3 -22.5 135 135 A K S << S+ 0 0 158 -3,-1.1 2,-0.3 -4,-0.6 -1,-0.2 -0.527 81.8 98.8 -85.7 68.9 31.9 -17.1 -24.0 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.2 1,-0.1 5,-0.2 -0.998 85.7-118.3-154.8 152.6 30.3 -16.4 -20.6 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.914 116.1 61.6 -54.9 -42.7 28.5 -13.9 -18.4 138 138 A W H > S+ 0 0 8 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.931 106.5 42.5 -48.8 -55.2 31.6 -14.2 -16.2 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.921 115.2 49.5 -59.0 -49.1 33.9 -12.8 -18.9 140 140 A N H < S+ 0 0 107 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.870 115.7 41.6 -65.2 -34.1 31.5 -10.1 -20.1 141 141 A Q H < S+ 0 0 110 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.844 132.8 20.7 -84.0 -35.3 30.8 -8.8 -16.6 142 142 A T S X S+ 0 0 17 -4,-2.4 4,-2.8 -5,-0.3 -1,-0.2 -0.562 75.0 158.1-129.1 69.2 34.4 -8.9 -15.3 143 143 A P H > S+ 0 0 46 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.852 70.0 50.9 -67.6 -36.7 36.5 -9.0 -18.5 144 144 A D H > S+ 0 0 108 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.946 117.2 39.9 -70.3 -40.9 39.8 -7.8 -17.1 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.930 115.9 51.0 -68.0 -46.0 39.9 -10.3 -14.3 146 146 A A H X S+ 0 0 0 -4,-2.8 4,-3.4 1,-0.2 5,-0.2 0.899 106.6 55.9 -60.1 -39.3 38.5 -13.1 -16.4 147 147 A K H X S+ 0 0 95 -4,-2.5 4,-2.6 -5,-0.2 -1,-0.2 0.908 108.5 47.8 -58.1 -42.2 41.2 -12.4 -19.0 148 148 A R H X S+ 0 0 69 -4,-1.5 4,-1.9 2,-0.2 12,-0.2 0.938 114.5 45.1 -63.4 -45.6 43.9 -12.9 -16.3 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.933 113.8 49.7 -66.9 -43.1 42.3 -16.1 -15.1 150 150 A I H X S+ 0 0 15 -4,-3.4 4,-2.6 1,-0.2 -1,-0.2 0.906 108.1 52.9 -62.7 -41.4 41.9 -17.4 -18.6 151 151 A T H X S+ 0 0 37 -4,-2.6 4,-2.6 -5,-0.2 6,-0.4 0.884 108.1 52.4 -59.3 -38.1 45.5 -16.6 -19.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.918 112.0 44.7 -64.0 -44.0 46.5 -18.6 -16.5 153 153 A F H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.849 115.6 49.0 -65.4 -36.1 44.4 -21.5 -17.7 154 154 A R H < S+ 0 0 109 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.906 126.6 21.3 -70.3 -41.9 45.7 -21.1 -21.2 155 155 A T H < S- 0 0 37 -4,-2.6 -3,-0.2 2,-0.2 -2,-0.2 0.661 83.5-134.4-105.2 -23.8 49.4 -20.9 -20.4 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.778 74.6 107.5 63.7 24.9 50.0 -22.5 -16.9 157 157 A T S S- 0 0 48 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.810 79.8-122.9-124.4 169.5 52.1 -19.4 -16.2 158 158 A W >> + 0 0 48 -2,-0.3 3,-2.2 1,-0.2 4,-0.8 0.084 69.5 124.1 -96.4 21.2 51.7 -16.4 -14.0 159 159 A D G >4 + 0 0 121 1,-0.3 3,-0.7 2,-0.2 -1,-0.2 0.818 69.4 55.6 -54.7 -34.9 52.2 -14.0 -17.0 160 160 A A G 34 S+ 0 0 31 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.598 113.3 40.9 -76.4 -10.5 48.9 -12.2 -16.4 161 161 A Y G <4 0 0 15 -3,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.417 360.0 360.0-113.0 -0.3 49.8 -11.4 -12.8 162 162 A K << 0 0 220 -4,-0.8 -1,-0.3 -3,-0.7 -4,-0.1 -0.679 360.0 360.0 70.3 360.0 53.5 -10.5 -13.4