==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-MAR-00 1EPY . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.W.WRAY,W.A.BAASE,G.J.OSTHEIMER,X.-J.ZHANG,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8549.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 71.0 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 . 7 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 6.2 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 80 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 157.2 44.3 -1.9 9.2 2 2 A N > - 0 0 68 1,-0.1 4,-2.5 156,-0.0 5,-0.2 -0.923 360.0 -83.6-146.5 176.7 41.1 -0.7 10.9 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.841 123.3 52.5 -55.1 -39.8 39.0 2.5 11.3 4 4 A F H > S+ 0 0 75 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.961 111.4 45.3 -65.5 -42.6 41.1 3.7 14.2 5 5 A E H > S+ 0 0 99 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 114.0 52.0 -63.0 -41.0 44.4 3.4 12.4 6 6 A M H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.949 111.7 42.2 -58.7 -55.2 42.8 5.0 9.4 7 7 A L H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.4 0.842 109.6 59.3 -68.6 -26.8 41.4 8.1 11.1 8 8 A R H X S+ 0 0 101 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.925 109.3 44.3 -67.8 -36.5 44.6 8.5 13.1 9 9 A I H < S+ 0 0 87 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.929 117.7 45.8 -68.3 -42.1 46.5 8.7 9.9 10 10 A D H < S+ 0 0 19 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.875 125.8 26.8 -71.0 -37.5 43.9 11.1 8.4 11 11 A E H < S- 0 0 42 -4,-3.4 19,-0.4 1,-0.1 -3,-0.2 0.716 92.1-155.1 -99.0 -23.9 43.5 13.4 11.4 12 12 A G < - 0 0 20 -4,-2.1 2,-0.4 -5,-0.4 -1,-0.1 -0.157 26.1 -83.2 72.3-168.5 46.8 13.2 13.1 13 13 A L + 0 0 37 16,-0.2 2,-0.4 -4,-0.1 16,-0.2 -0.955 40.6 176.2-141.2 118.4 47.3 13.8 16.8 14 14 A R E -A 28 0A 127 14,-2.4 14,-2.5 -2,-0.4 4,-0.1 -0.984 13.5-167.4-121.9 131.0 47.8 17.3 18.5 15 15 A L E S+ 0 0 67 -2,-0.4 43,-2.5 12,-0.2 2,-0.3 0.461 72.6 61.1 -97.0 1.9 48.0 17.6 22.2 16 16 A K E S-C 57 0B 99 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.931 99.5 -89.5-122.9 149.9 47.6 21.4 22.3 17 17 A I E + 0 0 14 39,-2.0 2,-0.3 -2,-0.3 10,-0.2 -0.324 54.2 179.8 -57.0 140.7 44.7 23.4 21.1 18 18 A Y E -A 26 0A 34 8,-2.9 8,-3.3 -4,-0.1 2,-0.5 -0.972 33.5-119.8-146.3 155.9 45.0 24.4 17.5 19 19 A K E -A 25 0A 138 -2,-0.3 6,-0.3 6,-0.2 2,-0.0 -0.745 38.7-145.1 -85.2 124.5 43.3 26.3 14.7 20 20 A D > - 0 0 41 4,-3.8 3,-3.7 -2,-0.5 4,-0.1 -0.330 35.5 -76.8 -87.0-171.7 42.6 23.9 11.9 21 21 A H T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.634 135.5 45.8 -58.0 -15.8 42.6 24.5 8.1 22 22 A E T 3 S- 0 0 61 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.442 123.9-104.3-102.0 -1.7 39.3 26.2 8.3 23 23 A G S < S+ 0 0 28 -3,-3.7 2,-0.3 1,-0.3 -2,-0.2 0.637 76.0 137.9 87.4 16.8 40.4 28.2 11.4 24 24 A Y - 0 0 70 -4,-0.1 -4,-3.8 1,-0.0 2,-0.4 -0.755 58.1-110.5 -95.6 150.4 38.4 26.1 13.8 25 25 A Y E +AB 19 34A 35 9,-1.4 8,-2.9 11,-0.3 9,-1.3 -0.669 48.4 161.6 -85.0 135.8 39.8 25.1 17.2 26 26 A T E -AB 18 32A 5 -8,-3.3 -8,-2.9 -2,-0.4 2,-0.3 -0.904 16.3-174.2-145.5 161.9 40.5 21.5 17.5 27 27 A I E > + B 0 31A 0 4,-2.1 4,-2.2 -2,-0.3 2,-0.2 -0.976 49.5 9.6-155.4 170.0 42.5 19.1 19.5 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 -14,-2.4 -2,-0.3 2,-1.0 -0.458 121.5 -11.1 65.9-130.9 43.6 15.5 19.8 29 29 A I T 4 S- 0 0 6 34,-0.4 -16,-0.2 -16,-0.2 -1,-0.2 -0.771 128.4 -48.5-107.6 78.3 42.7 13.4 16.8 30 30 A G T 4 S+ 0 0 17 -2,-1.0 2,-0.9 -19,-0.4 -2,-0.2 0.749 85.9 158.9 68.4 25.2 40.4 15.6 14.9 31 31 A H E < -B 27 0A 31 -4,-2.2 -4,-2.1 -20,-0.1 2,-0.3 -0.686 31.9-145.6 -86.3 110.9 38.2 16.6 17.9 32 32 A L E -B 26 0A 81 -2,-0.9 -6,-0.3 -6,-0.2 3,-0.1 -0.504 18.9-179.2 -72.5 133.9 36.5 19.8 17.0 33 33 A L E - 0 0 15 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.905 60.3 -18.0 -96.0 -47.9 36.0 22.0 20.0 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-1.4 2,-0.1 -1,-0.4 -0.965 36.0-145.6-160.9 145.9 34.2 25.0 18.7 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.1 -11,-0.2 -9,-0.0 0.462 74.5 106.3 -90.7 -4.5 33.6 26.7 15.5 36 36 A S S S- 0 0 44 2,-0.1 -11,-0.3 1,-0.1 -2,-0.1 -0.440 77.3-123.8 -83.2 153.6 33.7 30.0 17.3 37 37 A P S S+ 0 0 124 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.514 78.9 101.9 -69.0 -8.0 36.6 32.5 17.2 38 38 A S > - 0 0 48 1,-0.2 4,-1.9 2,-0.0 5,-0.2 -0.705 53.8-163.8 -90.2 122.7 37.2 32.6 20.9 39 39 A L H > S+ 0 0 62 -2,-0.6 4,-2.4 1,-0.2 5,-0.2 0.825 95.3 60.7 -63.3 -28.5 40.1 30.7 22.4 40 40 A N H > S+ 0 0 124 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.919 102.8 47.5 -62.9 -46.6 38.3 31.1 25.6 41 41 A A H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.833 111.9 50.3 -62.8 -42.0 35.3 29.3 24.5 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.887 109.3 51.8 -65.2 -37.2 37.5 26.5 23.1 43 43 A K H X S+ 0 0 52 -4,-2.4 4,-2.5 -5,-0.2 11,-0.2 0.949 110.2 49.2 -64.0 -38.9 39.3 26.3 26.3 44 44 A S H X S+ 0 0 70 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.931 110.3 49.8 -69.3 -40.0 36.0 26.0 28.1 45 45 A E H X S+ 0 0 71 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.915 110.4 52.0 -64.6 -42.3 34.7 23.3 25.8 46 46 A L H X S+ 0 0 0 -4,-2.9 4,-2.3 2,-0.2 5,-0.3 0.921 108.5 47.4 -60.4 -47.8 37.9 21.4 26.3 47 47 A D H X>S+ 0 0 34 -4,-2.5 4,-2.8 1,-0.2 5,-0.7 0.920 112.5 52.1 -62.6 -37.6 37.8 21.5 30.1 48 48 A K H <5S+ 0 0 140 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.906 111.4 45.5 -64.2 -39.7 34.2 20.4 30.0 49 49 A A H <5S+ 0 0 47 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.900 122.1 37.0 -68.9 -39.6 34.9 17.4 27.7 50 50 A I H <5S- 0 0 41 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.842 101.8-128.4 -82.5 -39.6 37.9 16.3 29.7 51 51 A G T <5S+ 0 0 66 -4,-2.8 2,-0.3 1,-0.4 -3,-0.2 0.743 74.3 68.6 97.2 23.7 36.7 17.0 33.1 52 52 A R S - 0 0 7 -2,-0.9 3,-1.5 -11,-0.2 -1,-0.2 0.618 34.5-141.9 -92.9 -25.0 43.6 21.5 31.0 55 55 A N T 3 S- 0 0 115 1,-0.3 3,-0.1 -12,-0.1 -2,-0.1 0.832 72.8 -58.2 57.2 32.9 44.8 24.9 30.1 56 56 A G T 3 S+ 0 0 0 1,-0.2 -39,-2.0 -13,-0.2 2,-0.4 0.635 119.2 103.7 77.8 12.3 44.5 23.8 26.4 57 57 A V B < +C 16 0B 68 -3,-1.5 2,-0.3 -41,-0.2 -41,-0.2 -0.979 45.4 177.0-129.1 136.0 46.8 21.0 26.9 58 58 A I - 0 0 6 -43,-2.5 2,-0.2 -2,-0.4 -30,-0.1 -0.884 26.2-108.0-133.8 169.3 46.0 17.2 27.1 59 59 A T > - 0 0 58 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.503 31.7-111.2 -91.4 168.2 47.6 13.9 27.4 60 60 A K H > S+ 0 0 92 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.928 120.7 49.5 -65.4 -38.3 47.8 11.1 24.8 61 61 A D H > S+ 0 0 121 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.867 109.0 51.3 -67.0 -42.8 45.4 9.0 26.8 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.920 111.9 48.5 -58.6 -46.6 43.0 11.8 27.2 63 63 A A H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -34,-0.4 0.855 110.1 50.4 -60.5 -41.3 43.1 12.3 23.4 64 64 A E H X S+ 0 0 82 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.838 108.1 53.3 -68.6 -33.4 42.6 8.6 22.7 65 65 A K H X S+ 0 0 140 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.937 109.6 48.3 -67.9 -40.3 39.6 8.6 25.0 66 66 A L H X S+ 0 0 5 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.916 111.9 50.8 -58.9 -43.6 38.1 11.5 23.1 67 67 A F H X S+ 0 0 13 -4,-2.0 4,-3.2 2,-0.2 5,-0.3 0.919 108.1 51.4 -61.2 -47.6 38.8 9.7 19.8 68 68 A N H X S+ 0 0 92 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.942 112.3 46.4 -57.7 -45.5 37.1 6.5 21.0 69 69 A Q H X S+ 0 0 96 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.3 0.853 112.1 50.3 -63.0 -39.2 34.1 8.4 22.0 70 70 A D H X S+ 0 0 36 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.887 110.4 49.6 -67.2 -40.9 34.1 10.3 18.7 71 71 A V H X S+ 0 0 8 -4,-3.2 4,-2.2 1,-0.2 5,-0.2 0.910 110.1 52.6 -66.6 -41.1 34.4 7.0 16.7 72 72 A D H X S+ 0 0 83 -4,-2.6 4,-2.6 -5,-0.3 5,-0.2 0.946 108.1 49.1 -54.2 -48.2 31.6 5.6 18.7 73 73 A A H X S+ 0 0 43 -4,-1.8 4,-2.4 -5,-0.2 -1,-0.2 0.857 106.2 56.6 -60.7 -35.8 29.4 8.6 18.0 74 74 A A H X S+ 0 0 8 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.937 109.1 47.6 -64.9 -43.5 30.1 8.4 14.2 75 75 A V H X S+ 0 0 38 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.955 111.0 49.7 -63.5 -45.6 28.9 4.8 14.2 76 76 A R H X S+ 0 0 116 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.921 107.7 54.9 -57.6 -41.5 25.7 5.6 16.1 77 77 A G H X S+ 0 0 2 -4,-2.4 4,-1.3 -5,-0.2 -1,-0.2 0.896 109.2 48.4 -55.4 -41.9 25.0 8.5 13.8 78 78 A I H >< S+ 0 0 0 -4,-1.9 3,-0.6 2,-0.2 7,-0.3 0.958 112.9 45.7 -63.9 -55.7 25.2 6.0 10.9 79 79 A L H 3< S+ 0 0 86 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.809 113.7 50.9 -62.9 -24.4 22.9 3.4 12.5 80 80 A R H 3< S+ 0 0 167 -4,-2.4 2,-0.4 -5,-0.3 -1,-0.2 0.753 92.7 86.3 -79.1 -32.4 20.5 6.1 13.5 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.5 -7,-0.2 5,-0.2 0.845 102.0 65.1 -91.4 -32.8 22.9 6.1 5.9 85 85 A K H X S+ 0 0 90 -4,-2.5 4,-3.0 -7,-0.3 5,-0.2 0.911 98.5 50.3 -61.4 -45.5 22.2 2.8 7.5 86 86 A P H > S+ 0 0 57 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.909 113.5 48.7 -60.2 -35.5 21.0 0.8 4.5 87 87 A V H > S+ 0 0 2 -4,-0.5 4,-0.6 2,-0.2 3,-0.3 0.949 111.4 47.9 -67.1 -43.4 24.1 1.9 2.6 88 88 A Y H >< S+ 0 0 34 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.921 109.5 54.5 -63.5 -42.6 26.4 1.0 5.5 89 89 A D H 3< S+ 0 0 72 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.792 106.1 53.4 -61.7 -29.5 24.7 -2.4 5.8 90 90 A S H 3< S+ 0 0 35 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.616 95.3 86.0 -85.6 -8.3 25.3 -3.1 2.2 91 91 A L S << S- 0 0 7 -3,-1.1 2,-0.1 -4,-0.6 31,-0.0 -0.568 77.3-112.0 -92.1 162.9 28.9 -2.5 2.2 92 92 A D > - 0 0 57 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.288 42.3 -93.8 -80.0 169.9 31.9 -4.8 3.0 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.858 123.0 48.9 -60.2 -36.4 34.1 -4.2 6.1 94 94 A V H > S+ 0 0 25 1,-0.2 4,-1.2 62,-0.2 3,-0.4 0.950 114.1 43.8 -69.1 -49.1 36.7 -2.1 4.3 95 95 A R H > S+ 0 0 28 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.824 105.2 63.5 -67.6 -27.6 34.2 0.2 2.6 96 96 A R H X S+ 0 0 78 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.911 101.1 54.0 -60.8 -33.2 32.2 0.6 5.9 97 97 A A H X S+ 0 0 7 -4,-1.2 4,-2.5 -3,-0.4 -1,-0.2 0.888 103.1 53.3 -70.1 -36.7 35.3 2.1 7.3 98 98 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.889 109.7 51.0 -63.0 -34.1 35.5 4.7 4.6 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.950 109.0 48.5 -67.5 -47.5 31.9 5.6 5.3 100 100 A I H X S+ 0 0 11 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.903 107.1 58.6 -57.5 -42.4 32.6 6.0 9.0 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.937 108.0 45.9 -52.6 -47.5 35.7 8.1 8.1 102 102 A M H X S+ 0 0 4 -4,-2.1 4,-2.7 1,-0.2 5,-0.4 0.934 111.4 49.9 -64.4 -41.2 33.4 10.5 6.3 103 103 A V H X S+ 0 0 7 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.887 109.3 54.0 -65.1 -30.4 30.8 10.7 9.0 104 104 A F H < S+ 0 0 30 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.948 113.8 41.3 -67.4 -43.6 33.5 11.4 11.6 105 105 A Q H < S+ 0 0 49 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.876 132.8 15.7 -73.8 -43.7 34.8 14.2 9.6 106 106 A M H X S- 0 0 54 -4,-2.7 4,-0.6 -5,-0.2 -3,-0.2 0.583 101.9-109.3-115.7 -2.5 31.6 15.8 8.6 107 107 A G H X - 0 0 28 -4,-2.5 4,-2.5 -5,-0.4 5,-0.2 -0.018 33.1 -81.4 93.4 150.4 28.8 14.6 10.5 108 108 A E H > S+ 0 0 49 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.897 128.0 50.0 -56.6 -49.4 25.9 12.4 9.9 109 109 A T H > S+ 0 0 117 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.919 108.4 50.8 -59.0 -50.3 24.0 15.3 8.4 110 110 A G H < S+ 0 0 32 -4,-0.6 3,-0.4 1,-0.2 -2,-0.2 0.922 114.6 43.8 -56.6 -46.9 26.7 16.3 6.0 111 111 A V H >< S+ 0 0 1 -4,-2.5 3,-2.8 1,-0.2 -2,-0.2 0.949 105.2 60.2 -69.6 -44.5 27.1 12.8 4.7 112 112 A A H 3< S+ 0 0 11 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.766 96.9 67.7 -51.2 -25.0 23.4 12.1 4.4 113 113 A G T 3< S+ 0 0 56 -4,-1.1 2,-1.6 -3,-0.4 -1,-0.3 0.574 73.2 85.7 -74.1 -12.3 23.4 15.0 2.0 114 114 A F <> + 0 0 44 -3,-2.8 4,-2.2 1,-0.2 5,-0.2 -0.420 57.2 163.3 -85.8 62.7 25.5 13.2 -0.7 115 115 A T H > + 0 0 83 -2,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.853 66.8 44.3 -50.7 -50.9 22.3 11.7 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.926 114.0 47.8 -66.9 -44.8 23.7 10.6 -5.5 117 117 A S H > S+ 0 0 0 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.830 110.5 53.8 -61.0 -39.0 26.9 9.1 -4.2 118 118 A L H X S+ 0 0 12 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.931 108.9 48.3 -59.6 -49.8 25.0 7.2 -1.5 119 119 A R H X S+ 0 0 112 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.947 111.4 50.2 -58.6 -44.5 22.8 5.7 -4.1 120 120 A M H <>S+ 0 0 27 -4,-2.6 5,-2.7 1,-0.2 -1,-0.2 0.846 110.1 49.9 -61.7 -36.3 25.8 4.8 -6.3 121 121 A L H ><5S+ 0 0 4 -4,-1.6 3,-1.7 -5,-0.2 -1,-0.2 0.930 108.4 53.1 -67.7 -43.9 27.6 3.1 -3.4 122 122 A Q H 3<5S+ 0 0 85 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.865 110.1 48.1 -55.5 -40.1 24.4 1.2 -2.5 123 123 A Q T 3<5S- 0 0 110 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.453 113.2-122.0 -84.7 5.3 24.4 -0.0 -6.1 124 124 A K T < 5 + 0 0 103 -3,-1.7 2,-1.5 1,-0.2 -3,-0.2 0.785 61.8 148.0 58.7 32.7 28.0 -0.9 -5.9 125 125 A R >< + 0 0 108 -5,-2.7 4,-2.3 1,-0.2 3,-0.4 -0.578 19.8 172.8 -93.5 72.8 28.8 1.4 -8.8 126 126 A W H > + 0 0 52 -2,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.857 66.0 47.8 -59.3 -46.2 32.2 2.2 -7.5 127 127 A D H > S+ 0 0 114 2,-0.2 4,-1.9 -3,-0.2 -1,-0.3 0.896 113.2 49.1 -65.2 -35.6 33.7 4.2 -10.2 128 128 A E H > S+ 0 0 91 -3,-0.4 4,-2.5 1,-0.2 5,-0.2 0.904 109.0 53.2 -66.0 -43.6 30.7 6.4 -10.6 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.922 107.3 52.1 -54.5 -43.9 30.6 7.0 -7.0 130 130 A A H X S+ 0 0 9 -4,-2.0 4,-1.4 1,-0.3 -1,-0.2 0.884 109.7 47.9 -64.0 -44.7 34.2 8.1 -6.9 131 131 A V H X S+ 0 0 96 -4,-1.9 4,-0.5 1,-0.2 -1,-0.3 0.894 113.7 48.3 -60.9 -43.8 33.7 10.5 -9.7 132 132 A N H >< S+ 0 0 42 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.908 108.3 53.5 -66.0 -39.8 30.6 11.9 -7.9 133 133 A L H 3< S+ 0 0 3 -4,-3.3 6,-0.4 1,-0.2 -1,-0.2 0.838 102.7 57.8 -63.2 -29.9 32.3 12.2 -4.6 134 134 A A H 3< S+ 0 0 31 -4,-1.4 2,-1.8 -5,-0.2 -1,-0.2 0.651 86.0 80.5 -77.9 -12.2 35.2 14.3 -6.0 135 135 A K S << S+ 0 0 172 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 -0.617 81.8 99.0 -88.5 66.9 32.9 16.9 -7.3 136 136 A S S > S- 0 0 16 -2,-1.8 4,-2.0 1,-0.1 5,-0.2 -0.992 84.6-118.6-152.8 158.3 32.6 18.5 -3.9 137 137 A R H > S+ 0 0 134 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.885 114.5 61.7 -64.3 -31.1 33.8 21.2 -1.7 138 138 A W H > S+ 0 0 16 1,-0.2 4,-1.1 2,-0.2 8,-0.2 0.953 105.9 43.0 -53.6 -55.6 35.0 18.4 0.6 139 139 A Y H >4 S+ 0 0 49 -6,-0.4 3,-0.9 1,-0.2 7,-0.2 0.949 113.1 51.7 -60.4 -49.0 37.4 17.0 -2.0 140 140 A N H 3< S+ 0 0 110 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.811 115.5 41.9 -61.6 -30.3 38.7 20.4 -3.1 141 141 A H H 3< S+ 0 0 90 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.536 127.9 28.4 -99.8 -0.4 39.4 21.4 0.4 142 142 A H S S+ 0 0 53 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.841 71.7 41.4 -51.0 -47.7 42.4 16.7 -1.6 144 144 A N H > S+ 0 0 109 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.925 119.5 43.6 -72.1 -40.8 44.8 14.1 -0.4 145 145 A R H > S+ 0 0 20 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.939 114.5 50.0 -63.8 -49.9 42.6 12.9 2.4 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.911 106.7 56.2 -57.5 -38.5 39.6 12.8 0.2 147 147 A K H X S+ 0 0 85 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.913 106.1 50.3 -61.6 -36.6 41.5 10.9 -2.4 148 148 A R H X S+ 0 0 68 -4,-1.7 4,-1.7 -3,-0.3 -1,-0.2 0.896 111.8 47.1 -66.9 -42.5 42.4 8.2 0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.936 113.4 47.7 -65.2 -45.1 38.9 7.7 1.2 150 150 A I H X S+ 0 0 7 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.871 110.8 52.6 -64.3 -38.9 37.5 7.6 -2.4 151 151 A T H X S+ 0 0 25 -4,-2.2 4,-2.9 -5,-0.3 6,-0.3 0.906 106.6 52.4 -61.8 -40.5 40.2 5.2 -3.3 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.928 111.0 47.2 -62.0 -42.3 39.2 3.0 -0.5 153 153 A F H < S+ 0 0 3 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 113.0 50.6 -61.5 -42.2 35.6 3.1 -1.7 154 154 A R H < S+ 0 0 93 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.948 125.0 22.1 -63.2 -50.5 36.7 2.4 -5.1 155 155 A T H < S- 0 0 59 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.610 83.5-137.4 -95.6 -21.2 38.9 -0.6 -4.4 156 156 A G S < S+ 0 0 15 -4,-2.7 2,-0.2 -5,-0.3 -62,-0.2 0.697 72.2 108.4 65.4 17.3 37.7 -2.0 -1.1 157 157 A T S S- 0 0 53 -6,-0.3 3,-0.3 -5,-0.1 -1,-0.3 -0.719 77.1-125.8-112.5 171.6 41.4 -2.4 -0.2 158 158 A W S > S+ 0 0 53 -2,-0.2 3,-2.1 1,-0.2 -6,-0.1 0.201 73.1 119.5-100.3 14.0 43.6 -0.5 2.4 159 159 A D G > + 0 0 92 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.751 64.2 59.9 -51.8 -35.3 46.2 0.3 -0.3 160 160 A A G 3 S+ 0 0 33 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.691 100.1 60.4 -72.1 -13.3 45.8 4.1 -0.1 161 161 A Y G < 0 0 17 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.170 360.0 360.0-100.8 20.1 46.9 3.9 3.5 162 162 A K < 0 0 181 -3,-1.3 -2,-0.2 -4,-0.0 -1,-0.1 0.638 360.0 360.0-129.4 360.0 50.3 2.3 2.9