==== 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 13-JUN-09 3HU8 . 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) . 8811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 71.6 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 . 12 7.4 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 76 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 149.9 7.2 -16.0 -9.0 2 2 A N > - 0 0 65 156,-0.0 4,-2.8 95,-0.0 5,-0.2 -0.915 360.0 -81.4-156.9 175.2 9.6 -18.3 -10.7 3 3 A I H > S+ 0 0 21 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.827 126.1 51.6 -58.5 -34.8 13.4 -18.5 -11.2 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.946 113.1 42.0 -67.3 -49.0 13.3 -16.0 -14.0 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.868 116.2 52.3 -65.0 -35.8 11.4 -13.3 -12.2 6 6 A M H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.969 113.5 40.5 -65.9 -54.2 13.5 -14.1 -9.1 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 5,-0.4 0.842 110.1 60.3 -65.9 -31.0 16.8 -13.7 -10.8 8 8 A R H X S+ 0 0 106 -4,-2.5 4,-1.8 -5,-0.2 -1,-0.2 0.895 108.2 45.4 -61.1 -41.0 15.5 -10.7 -12.7 9 9 A I H < S+ 0 0 82 -4,-1.9 -2,-0.2 -3,-0.2 -1,-0.2 0.938 117.4 43.7 -62.8 -46.7 14.9 -8.9 -9.4 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.843 124.5 31.9 -71.9 -31.4 18.2 -10.0 -8.0 11 11 A E H < S- 0 0 39 -4,-2.8 19,-0.5 1,-0.2 -1,-0.2 0.684 93.1-151.9-103.4 -22.9 20.4 -9.2 -11.0 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.4 -1,-0.2 -0.228 23.0 -89.4 75.2-173.9 18.5 -6.3 -12.6 13 13 A L + 0 0 41 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.951 44.8 167.1-140.9 116.6 18.6 -5.5 -16.3 14 14 A R E -A 28 0A 148 14,-2.0 14,-2.4 -2,-0.4 4,-0.1 -0.998 21.5-161.2-132.0 133.5 21.2 -3.3 -17.9 15 15 A L E S+ 0 0 64 -2,-0.4 43,-2.6 12,-0.2 2,-0.3 0.607 73.9 64.0 -93.0 -10.7 21.7 -3.1 -21.6 16 16 A K E S-C 57 0B 150 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.864 101.3 -87.0-110.5 147.5 25.2 -1.6 -21.5 17 17 A I E + 0 0 29 39,-2.2 2,-0.3 -2,-0.3 10,-0.2 -0.233 59.0 168.3 -49.3 128.8 28.4 -3.3 -20.1 18 18 A Y E -A 26 0A 27 8,-2.9 8,-3.1 -4,-0.1 2,-0.5 -0.893 37.8-102.7-137.4 168.9 28.5 -2.5 -16.4 19 19 A K E -A 25 0A 123 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.825 35.4-136.7 -97.9 134.2 30.6 -3.8 -13.5 20 20 A D > - 0 0 46 4,-2.8 3,-1.9 -2,-0.5 -1,-0.1 0.019 42.4 -77.5 -75.9-169.5 28.8 -6.2 -11.2 21 21 A T T 3 S+ 0 0 109 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.738 135.5 50.6 -66.0 -21.6 29.1 -6.1 -7.4 22 22 A E T 3 S- 0 0 70 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.394 123.2-104.3 -94.6 2.3 32.5 -7.7 -7.6 23 23 A G S < S+ 0 0 36 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.571 75.5 140.6 84.4 14.7 33.7 -5.2 -10.2 24 24 A Y - 0 0 73 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.761 60.9-103.0 -97.9 136.8 33.5 -7.6 -13.1 25 25 A Y E +A 19 0A 30 9,-0.5 8,-2.7 11,-0.4 9,-1.4 -0.284 54.6 160.9 -60.4 131.7 32.2 -6.6 -16.5 26 26 A T E -AB 18 32A 2 -8,-3.1 -8,-2.9 6,-0.3 2,-0.3 -0.897 19.1-167.8-147.4 159.5 28.7 -7.8 -16.9 27 27 A I E > + B 0 31A 0 4,-2.0 4,-2.4 -2,-0.3 -12,-0.2 -0.976 51.3 3.9-149.7 165.3 25.7 -7.1 -19.1 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-2.0 -2,-0.3 2,-0.9 -0.384 124.2 -7.2 72.2-128.8 22.0 -7.9 -19.4 29 29 A I T 4 S- 0 0 5 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.735 129.0 -51.9-106.0 75.5 20.5 -9.8 -16.5 30 30 A G T 4 S+ 0 0 13 -2,-0.9 2,-1.1 -19,-0.5 -2,-0.2 0.833 82.4 163.3 58.5 36.2 23.8 -10.7 -14.6 31 31 A H E < -B 27 0A 28 -4,-2.4 -4,-2.0 -20,-0.1 2,-0.3 -0.767 32.0-143.3 -85.7 104.1 25.5 -12.1 -17.6 32 32 A L E -B 26 0A 73 -2,-1.1 -6,-0.3 -6,-0.2 3,-0.1 -0.491 20.0-177.2 -68.2 125.8 29.2 -12.2 -16.5 33 33 A L - 0 0 11 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.869 59.3 -33.3 -93.3 -46.5 31.4 -11.3 -19.5 34 34 A T - 0 0 32 -9,-1.4 -9,-0.5 2,-0.1 -1,-0.4 -0.961 34.2-131.0-168.1 156.1 34.8 -11.7 -17.9 35 35 A K S S+ 0 0 136 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.519 75.3 115.3 -88.0 -6.3 36.8 -11.2 -14.7 36 36 A S - 0 0 38 1,-0.1 -11,-0.4 2,-0.1 6,-0.1 -0.399 67.4-141.4 -62.0 133.8 39.5 -9.3 -16.8 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 0.502 77.1 104.8 -69.1 -5.0 39.9 -5.6 -15.8 38 38 A D >> - 0 0 77 1,-0.2 4,-1.6 2,-0.0 3,-0.5 -0.719 59.9-160.9 -87.7 112.5 40.3 -5.1 -19.6 39 39 A L H 3> S+ 0 0 65 -2,-0.7 4,-2.4 1,-0.2 -1,-0.2 0.819 91.9 57.3 -62.0 -33.0 37.1 -3.5 -21.1 40 40 A N H 3> S+ 0 0 116 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.855 103.2 52.8 -66.4 -35.3 38.1 -4.7 -24.6 41 41 A A H <> S+ 0 0 28 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.886 110.8 48.5 -65.8 -38.8 38.3 -8.3 -23.4 42 42 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.893 110.5 50.1 -65.4 -43.0 34.7 -7.9 -22.0 43 43 A K H X S+ 0 0 73 -4,-2.4 4,-2.3 2,-0.2 11,-0.3 0.892 110.0 51.2 -64.1 -39.0 33.6 -6.3 -25.3 44 44 A S H X S+ 0 0 72 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.935 110.6 48.1 -61.9 -47.1 35.1 -9.2 -27.2 45 45 A E H X S+ 0 0 68 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.873 110.4 53.7 -59.0 -39.4 33.3 -11.7 -24.9 46 46 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 5,-0.3 0.943 109.5 46.0 -62.0 -49.3 30.1 -9.8 -25.5 47 47 A D H X>S+ 0 0 34 -4,-2.3 4,-2.5 1,-0.2 5,-0.8 0.872 112.7 50.7 -61.7 -39.0 30.4 -10.0 -29.2 48 48 A K H <5S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 112.2 48.1 -64.5 -40.4 31.2 -13.7 -29.1 49 49 A A H <5S+ 0 0 40 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 120.4 34.7 -70.5 -36.8 28.2 -14.3 -26.8 50 50 A I H <5S- 0 0 38 -4,-2.2 -2,-0.2 2,-0.3 -1,-0.2 0.773 101.9-126.7 -91.7 -28.4 25.7 -12.4 -29.0 51 51 A G T <5S+ 0 0 67 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.694 78.1 71.4 85.8 22.3 27.2 -13.2 -32.4 52 52 A R S - 0 0 6 -2,-1.0 3,-1.3 -11,-0.3 -1,-0.2 0.661 30.6-143.2 -90.4 -20.1 27.7 -5.0 -30.1 55 55 A N T 3 S- 0 0 126 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.912 74.6 -54.7 51.6 45.0 30.0 -2.1 -29.1 56 56 A G T 3 S+ 0 0 6 -13,-0.2 -39,-2.2 1,-0.1 2,-0.4 0.590 120.3 99.2 69.8 15.8 29.2 -2.8 -25.5 57 57 A V B < +C 16 0B 63 -3,-1.3 2,-0.3 -41,-0.2 -41,-0.2 -0.996 43.6 176.5-138.4 135.7 25.4 -2.5 -25.9 58 58 A I - 0 0 4 -43,-2.6 2,-0.2 -2,-0.4 -30,-0.1 -0.843 27.3-110.8-129.6 170.3 22.7 -5.1 -26.3 59 59 A T > - 0 0 68 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.514 33.8-106.7 -93.9 167.7 18.9 -5.1 -26.7 60 60 A K H > S+ 0 0 102 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.893 121.4 53.5 -59.4 -41.4 16.4 -6.4 -24.1 61 61 A D H > S+ 0 0 123 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 109.6 47.4 -60.4 -44.6 15.7 -9.5 -26.3 62 62 A E H > S+ 0 0 40 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.896 110.9 52.4 -64.4 -39.7 19.4 -10.3 -26.4 63 63 A A H X S+ 0 0 1 -4,-2.4 4,-2.3 1,-0.2 -34,-0.4 0.927 110.9 47.0 -60.5 -45.2 19.7 -9.8 -22.6 64 64 A E H X S+ 0 0 66 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.844 108.6 55.7 -70.0 -31.9 16.8 -12.2 -22.1 65 65 A K H X S+ 0 0 135 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.952 110.7 43.5 -60.6 -51.2 18.4 -14.7 -24.5 66 66 A L H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.892 112.4 55.5 -58.9 -40.8 21.6 -14.8 -22.6 67 67 A F H X S+ 0 0 10 -4,-2.3 4,-3.2 -5,-0.2 5,-0.3 0.941 106.8 48.5 -60.5 -47.9 19.6 -15.0 -19.4 68 68 A N H X S+ 0 0 86 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.914 114.1 46.8 -55.4 -46.9 17.7 -18.1 -20.6 69 69 A Q H X S+ 0 0 98 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.929 113.5 48.8 -60.9 -43.6 21.0 -19.7 -21.5 70 70 A D H X S+ 0 0 37 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.928 112.7 46.2 -67.7 -44.9 22.6 -18.7 -18.2 71 71 A V H X S+ 0 0 4 -4,-3.2 4,-2.3 2,-0.2 5,-0.2 0.950 114.6 47.7 -61.8 -49.2 19.7 -20.0 -16.1 72 72 A D H X S+ 0 0 92 -4,-2.5 4,-3.1 -5,-0.3 5,-0.2 0.921 112.1 50.2 -57.7 -43.1 19.5 -23.3 -18.1 73 73 A A H X S+ 0 0 57 -4,-2.7 4,-2.3 -5,-0.2 -1,-0.2 0.866 108.1 53.0 -65.0 -37.4 23.3 -23.7 -17.7 74 74 A A H X S+ 0 0 11 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.925 113.1 44.0 -60.7 -48.3 23.1 -23.1 -14.0 75 75 A V H X S+ 0 0 29 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.952 114.1 48.5 -62.6 -51.5 20.4 -25.9 -13.6 76 76 A R H X S+ 0 0 138 -4,-3.1 4,-1.4 1,-0.2 -1,-0.2 0.869 110.5 53.3 -60.4 -36.1 22.3 -28.3 -15.9 77 77 A G H X S+ 0 0 1 -4,-2.3 4,-0.8 -5,-0.2 3,-0.4 0.930 107.3 50.0 -61.5 -48.2 25.5 -27.6 -14.0 78 78 A I H >< S+ 0 0 3 -4,-2.2 3,-1.4 1,-0.2 7,-0.5 0.943 109.8 52.1 -53.0 -50.8 23.8 -28.5 -10.7 79 79 A L H 3< S+ 0 0 57 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 110.3 48.1 -60.8 -28.5 22.5 -31.7 -12.2 80 80 A R H 3< S+ 0 0 182 -4,-1.4 2,-0.7 -3,-0.4 -1,-0.3 0.534 92.1 94.1 -87.4 -7.7 26.0 -32.7 -13.4 81 81 A N S+ 0 0 10 -3,-0.2 4,-3.0 -6,-0.2 5,-0.2 0.847 102.7 68.5 -88.1 -36.8 24.8 -30.6 -5.7 85 85 A K H X S+ 0 0 81 -4,-3.2 4,-3.2 -7,-0.5 5,-0.2 0.891 98.6 47.9 -56.2 -49.1 22.4 -32.9 -7.5 86 86 A P H > S+ 0 0 56 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.901 116.1 45.6 -63.5 -34.5 21.3 -35.0 -4.6 87 87 A V H > S+ 0 0 8 -4,-0.5 4,-0.9 2,-0.2 3,-0.5 0.958 114.1 48.0 -68.4 -48.1 20.6 -31.9 -2.5 88 88 A Y H >< S+ 0 0 28 -4,-3.0 3,-1.2 1,-0.2 -1,-0.2 0.932 111.5 50.6 -55.3 -46.8 18.9 -30.2 -5.3 89 89 A D H 3< S+ 0 0 69 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.761 105.3 57.6 -69.4 -20.9 16.7 -33.3 -6.0 90 90 A S H 3< S+ 0 0 36 -4,-1.2 -1,-0.3 -3,-0.5 -2,-0.2 0.681 95.1 86.6 -76.2 -21.2 15.7 -33.5 -2.4 91 91 A L S << S- 0 0 7 -3,-1.2 2,-0.1 -4,-0.9 31,-0.0 -0.444 79.9-115.8 -83.0 154.8 14.3 -29.9 -2.4 92 92 A D > - 0 0 53 -2,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.357 43.4 -93.8 -72.9 168.8 10.9 -28.7 -3.4 93 93 A A H > S+ 0 0 72 1,-0.2 4,-1.2 2,-0.2 -2,-0.1 0.806 122.5 50.9 -62.1 -34.9 10.5 -26.5 -6.4 94 94 A V H >> S+ 0 0 29 62,-0.2 4,-1.3 2,-0.2 3,-0.5 0.956 112.6 45.8 -72.1 -44.8 10.7 -23.1 -4.5 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.863 105.5 61.2 -66.3 -34.4 13.8 -24.1 -2.7 96 96 A R H 3X S+ 0 0 78 -4,-2.4 4,-2.4 1,-0.2 -1,-0.3 0.867 100.2 56.5 -54.6 -36.1 15.3 -25.4 -5.9 97 97 A C H < S+ 0 0 30 -4,-0.8 3,-0.8 -7,-0.1 -2,-0.2 0.934 110.4 48.1 -52.6 -51.1 31.4 -20.5 -5.2 111 111 A V T 3< S+ 0 0 7 -4,-2.2 2,-0.4 1,-0.2 4,-0.1 -0.087 87.0 73.0 -68.7-170.4 29.1 -23.1 -3.7 112 112 A A T > S+ 0 0 50 1,-0.1 3,-0.7 -29,-0.0 -1,-0.2 -0.016 84.5 73.7 87.4 -39.8 31.2 -26.1 -2.6 113 113 A G T < S+ 0 0 69 -3,-0.8 3,-0.3 -4,-0.4 -2,-0.1 0.593 87.6 71.2 -68.5 -11.7 32.4 -23.9 0.2 114 114 A F T 3> + 0 0 23 1,-0.2 4,-2.9 2,-0.1 5,-0.2 0.027 55.1 128.0 -99.3 29.6 28.8 -24.6 1.4 115 115 A T H <> S+ 0 0 81 -3,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.863 77.0 46.5 -50.8 -45.2 29.2 -28.3 2.3 116 116 A N H > S+ 0 0 82 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.903 113.2 48.5 -70.8 -40.3 27.7 -27.8 5.8 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.911 110.6 52.3 -62.2 -44.7 24.7 -25.7 4.4 118 118 A L H X S+ 0 0 27 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.905 108.6 49.8 -57.7 -45.0 24.1 -28.4 1.7 119 119 A R H X S+ 0 0 113 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.935 112.3 47.6 -61.1 -45.0 24.0 -31.1 4.3 120 120 A M H <>S+ 0 0 28 -4,-2.1 5,-2.5 1,-0.2 4,-0.4 0.897 112.4 49.7 -64.9 -38.6 21.5 -29.1 6.5 121 121 A L H ><5S+ 0 0 4 -4,-2.7 3,-1.2 2,-0.2 -1,-0.2 0.916 110.2 49.4 -64.3 -43.2 19.4 -28.4 3.4 122 122 A Q H 3<5S+ 0 0 94 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.872 111.4 51.0 -64.4 -33.7 19.3 -32.1 2.4 123 123 A Q T 3<5S- 0 0 83 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.541 110.9-126.8 -75.5 -9.9 18.3 -32.8 6.0 124 124 A K T < 5 + 0 0 95 -3,-1.2 2,-1.6 -4,-0.4 -3,-0.2 0.766 60.5 146.6 61.1 28.6 15.5 -30.2 5.7 125 125 A R >< + 0 0 120 -5,-2.5 4,-2.8 1,-0.2 -1,-0.2 -0.646 23.3 174.8 -86.2 78.7 16.9 -28.5 8.9 126 126 A W H > + 0 0 48 -2,-1.6 4,-2.6 1,-0.2 -1,-0.2 0.859 66.8 45.3 -67.3 -42.8 15.8 -25.2 7.4 127 127 A D H > S+ 0 0 115 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.924 116.2 47.1 -68.0 -40.8 16.5 -22.8 10.2 128 128 A E H > S+ 0 0 104 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.908 112.0 51.1 -63.2 -43.2 19.9 -24.3 10.8 129 129 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.932 109.8 50.1 -55.4 -49.8 20.6 -24.2 7.1 130 130 A A H X S+ 0 0 7 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.901 110.4 49.7 -62.5 -40.9 19.6 -20.6 7.0 131 131 A V H X S+ 0 0 85 -4,-2.4 4,-0.6 1,-0.2 3,-0.4 0.948 113.1 46.6 -59.8 -47.0 21.9 -19.7 9.9 132 132 A N H >< S+ 0 0 37 -4,-2.6 3,-1.2 1,-0.2 -2,-0.2 0.889 107.0 57.5 -64.9 -39.1 24.8 -21.5 8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.8 6,-0.4 1,-0.3 -1,-0.2 0.833 101.5 56.4 -60.5 -35.5 24.2 -19.9 4.9 134 134 A A H 3< S+ 0 0 31 -4,-1.4 2,-1.7 -3,-0.4 -1,-0.3 0.634 86.2 81.9 -74.0 -17.7 24.6 -16.4 6.4 135 135 A K S << S+ 0 0 160 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.534 81.4 97.9 -82.4 68.0 28.1 -17.2 7.8 136 136 A S S > S- 0 0 18 -2,-1.7 4,-2.2 1,-0.1 5,-0.2 -0.992 85.6-118.2-156.5 151.9 29.7 -16.5 4.4 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.9 1,-0.2 5,-0.4 0.925 116.3 62.4 -55.5 -44.9 31.5 -13.9 2.3 138 138 A W H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.921 106.2 41.3 -44.9 -55.8 28.4 -14.3 0.1 139 139 A Y H 4 S+ 0 0 52 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.927 116.4 48.9 -62.8 -45.9 26.1 -13.0 2.7 140 140 A N H < S+ 0 0 110 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 115.6 42.8 -67.1 -31.6 28.5 -10.2 3.9 141 141 A Q H < S+ 0 0 109 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.838 133.0 19.5 -85.4 -36.0 29.2 -8.9 0.5 142 142 A T S X S+ 0 0 17 -4,-2.4 4,-2.9 -5,-0.4 -1,-0.2 -0.544 74.8 157.7-129.7 70.5 25.6 -9.0 -0.8 143 143 A P H > + 0 0 46 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.853 69.8 52.4 -67.3 -36.1 23.4 -9.2 2.3 144 144 A D H > S+ 0 0 106 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.945 117.4 39.1 -68.5 -41.1 20.2 -7.9 0.9 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 3,-0.3 0.933 115.6 51.3 -69.0 -46.3 20.2 -10.4 -1.9 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-3.4 1,-0.2 5,-0.2 0.906 106.7 56.0 -61.5 -39.0 21.6 -13.2 0.3 147 147 A K H X S+ 0 0 93 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.896 108.7 47.3 -57.1 -42.3 18.8 -12.5 2.8 148 148 A R H X S+ 0 0 68 -4,-1.3 4,-1.9 -3,-0.3 12,-0.2 0.950 114.6 44.8 -63.9 -47.9 16.2 -13.0 0.1 149 149 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.915 114.3 50.0 -65.9 -44.1 17.7 -16.2 -1.1 150 150 A I H X S+ 0 0 9 -4,-3.4 4,-2.8 2,-0.2 -1,-0.2 0.900 108.3 52.1 -60.0 -43.8 18.2 -17.5 2.4 151 151 A T H X S+ 0 0 26 -4,-2.4 4,-2.3 -5,-0.2 6,-0.4 0.887 109.1 51.8 -59.6 -37.6 14.5 -16.7 3.3 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.939 112.4 44.6 -65.0 -47.3 13.6 -18.7 0.2 153 153 A F H < S+ 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 115.5 49.0 -58.7 -40.1 15.7 -21.7 1.4 154 154 A R H < S+ 0 0 88 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.865 127.3 20.1 -69.1 -37.6 14.3 -21.3 5.0 155 155 A T H < S- 0 0 49 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.654 83.2-134.9-111.3 -22.2 10.6 -21.2 4.1 156 156 A G S < S+ 0 0 17 -4,-2.4 2,-0.3 -5,-0.3 -62,-0.2 0.790 74.1 108.7 57.9 28.3 10.2 -22.6 0.6 157 157 A T S S- 0 0 49 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.807 79.4-123.1-122.2 171.3 7.9 -19.6 -0.1 158 158 A W >> + 0 0 56 -2,-0.3 3,-2.3 1,-0.2 4,-0.8 0.105 69.6 124.1 -99.9 20.3 8.4 -16.6 -2.2 159 159 A D G >4 + 0 0 125 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 0.833 69.8 55.4 -51.2 -37.7 7.8 -14.2 0.7 160 160 A A G 34 S+ 0 0 31 -3,-0.3 -1,-0.3 -12,-0.2 -2,-0.1 0.626 110.2 46.7 -74.0 -10.4 11.1 -12.4 0.2 161 161 A Y G <4 0 0 3 -3,-2.3 -1,-0.2 -13,-0.1 -2,-0.2 0.455 360.0 360.0-115.3 -6.0 10.2 -11.6 -3.4 162 162 A K << 0 0 217 -4,-0.8 -3,-0.1 -3,-0.6 -2,-0.1 0.320 360.0 360.0 48.8 360.0 6.6 -10.3 -3.0