==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-OCT-97 241L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.XU,W.A.BAASE,E.BALDWIN,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8646.0 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 . 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 . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 53.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 0 1 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 82 0, 0.0 2,-0.3 0, 0.0 161,-0.0 0.000 360.0 360.0 360.0 144.6 43.6 -1.9 8.9 2 2 A N > - 0 0 69 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.916 360.0 -84.4-148.0 174.2 40.5 -0.9 10.8 3 3 A I H > S+ 0 0 27 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.832 124.2 49.9 -55.0 -39.6 38.3 2.3 11.3 4 4 A F H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.943 112.9 45.1 -68.6 -44.1 40.5 3.7 14.1 5 5 A E H > S+ 0 0 98 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.889 114.0 51.9 -65.7 -34.7 43.7 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.957 112.4 42.5 -65.5 -51.2 42.1 4.7 9.1 7 7 A L H X>S+ 0 0 0 -4,-2.7 4,-3.2 1,-0.2 5,-0.5 0.830 108.6 60.4 -66.9 -28.9 40.8 7.8 10.9 8 8 A R H X5S+ 0 0 107 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.905 106.8 46.2 -65.7 -34.8 44.0 8.2 12.7 9 9 A I H <5S+ 0 0 87 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.923 118.0 43.7 -70.0 -42.4 45.8 8.6 9.3 10 10 A D H <5S+ 0 0 20 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.841 128.7 23.0 -72.1 -36.7 43.1 11.0 8.1 11 11 A E H <5S- 0 0 43 -4,-3.2 19,-0.4 -5,-0.2 3,-0.2 0.744 89.5-150.2-103.8 -26.1 42.8 13.2 11.2 12 12 A G << - 0 0 20 -4,-1.8 -1,-0.2 -5,-0.5 -2,-0.1 -0.351 24.4 -96.2 79.9-168.0 46.0 12.8 13.1 13 13 A L + 0 0 19 16,-0.1 2,-0.3 -2,-0.1 16,-0.2 -0.485 41.7 179.6-154.9 78.5 46.1 13.1 16.9 14 14 A R E -A 28 0A 142 14,-1.4 14,-2.5 -3,-0.2 4,-0.1 -0.641 17.5-159.3 -86.0 134.5 47.1 16.6 18.2 15 15 A L E S+ 0 0 59 -2,-0.3 43,-2.2 12,-0.2 2,-0.3 0.410 73.4 62.5 -95.1 -2.2 47.2 17.1 22.0 16 16 A K E S-C 57 0B 93 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.924 101.0 -87.0-121.8 149.0 46.9 20.9 21.9 17 17 A I E + 0 0 15 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.250 57.9 170.8 -53.1 134.9 44.0 22.9 20.6 18 18 A Y E -A 26 0A 23 8,-3.0 8,-2.9 -4,-0.1 2,-0.4 -0.887 34.7-104.4-140.8 171.8 44.5 23.5 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.864 33.4-138.1-102.5 136.3 42.4 24.9 13.9 20 20 A D > - 0 0 49 4,-2.8 3,-2.3 -2,-0.4 -1,-0.1 -0.088 41.2 -79.0 -79.6-171.4 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.771 134.1 48.5 -59.5 -25.6 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 76 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.356 123.2-103.5 -95.0 2.3 37.9 25.2 8.0 23 23 A G S < S+ 0 0 37 -3,-2.3 2,-0.4 1,-0.3 -2,-0.1 0.619 74.8 140.8 86.6 15.9 39.6 27.3 10.6 24 24 A Y - 0 0 81 1,-0.1 -4,-2.8 9,-0.0 -1,-0.3 -0.735 59.2-103.1 -98.9 145.3 37.6 25.9 13.6 25 25 A Y E +AB 19 34A 40 9,-0.7 8,-2.7 11,-0.4 9,-1.4 -0.419 54.4 156.9 -64.7 129.4 39.0 25.1 17.0 26 26 A T E -AB 18 32A 2 -8,-2.9 -8,-3.0 6,-0.3 2,-0.3 -0.887 22.9-160.6-144.2 168.4 39.5 21.4 17.4 27 27 A I E > + B 0 31A 0 4,-1.9 4,-2.0 -2,-0.3 -12,-0.2 -0.983 54.1 0.2-151.0 161.4 41.6 18.9 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.5 2,-1.4 -2,-0.3 -14,-1.4 -0.357 123.1 -4.5 66.5-139.8 42.7 15.3 19.3 29 29 A A T 4 S- 0 0 2 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.2 -0.577 128.4 -53.7 -91.8 72.0 41.6 13.3 16.3 30 30 A G T 4 S+ 0 0 21 -2,-1.4 2,-1.0 -19,-0.4 -2,-0.2 0.741 82.3 161.8 71.6 23.1 39.4 15.8 14.6 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.9 1,-0.0 -1,-0.2 -0.630 33.2-141.4 -80.1 101.6 37.2 16.5 17.7 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.423 20.5-177.1 -63.3 130.3 35.6 19.8 16.8 33 33 A L E - 0 0 14 -8,-2.7 2,-0.3 1,-0.4 -7,-0.2 0.879 59.3 -26.1 -93.6 -46.5 35.3 22.0 19.9 34 34 A T E -B 25 0A 30 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.960 35.2-137.5-167.8 152.6 33.4 25.1 18.5 35 35 A K S S+ 0 0 143 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.461 75.9 107.9 -92.4 -5.3 32.7 27.0 15.4 36 36 A S S S- 0 0 42 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.458 75.1-130.0 -76.2 146.6 33.2 30.2 17.4 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.519 76.4 106.9 -73.2 -5.7 36.3 32.4 16.8 38 38 A S > - 0 0 47 1,-0.2 4,-2.0 2,-0.0 5,-0.1 -0.695 54.6-162.4 -87.5 118.6 36.9 32.6 20.5 39 39 A L H > S+ 0 0 65 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.792 96.8 56.6 -62.4 -30.6 39.9 30.5 21.9 40 40 A N H > S+ 0 0 116 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.951 103.9 49.7 -70.1 -42.0 38.3 31.0 25.2 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.899 111.7 51.4 -60.0 -38.8 35.1 29.5 24.1 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.925 109.1 48.8 -64.5 -45.4 37.2 26.6 22.8 43 43 A K H X S+ 0 0 47 -4,-2.6 4,-2.4 1,-0.2 11,-0.3 0.888 110.5 52.7 -62.9 -35.2 39.0 26.1 26.0 44 44 A S H X S+ 0 0 72 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.941 110.1 46.5 -64.9 -45.8 35.6 26.2 27.8 45 45 A E H X S+ 0 0 69 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.893 111.7 53.4 -65.1 -36.2 34.2 23.5 25.6 46 46 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 5,-0.3 0.932 107.3 48.9 -66.0 -44.4 37.3 21.5 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 5,-0.9 0.896 111.0 51.4 -63.4 -35.5 37.2 21.5 29.8 48 48 A K H <5S+ 0 0 141 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.864 110.2 49.2 -69.1 -32.5 33.7 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.869 121.1 34.0 -73.1 -35.2 34.4 17.6 27.4 50 50 A I H <5S- 0 0 36 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.714 102.3-127.6 -92.6 -27.7 37.3 16.3 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.4 2,-0.3 1,-0.3 -3,-0.2 0.758 76.2 75.0 83.1 29.9 36.0 17.2 32.9 52 52 A R S - 0 0 9 -2,-0.9 3,-1.1 -11,-0.3 -1,-0.2 0.728 31.9-142.9 -92.1 -27.3 42.9 21.7 30.8 55 55 A N T 3 S- 0 0 116 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.860 73.3 -58.3 63.4 34.0 44.3 25.0 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.1 2,-0.4 0.502 118.2 99.5 76.3 7.9 44.0 23.8 26.1 57 57 A V B < +C 16 0B 68 -3,-1.1 2,-0.3 -41,-0.2 -41,-0.2 -0.987 44.7 177.0-131.2 133.1 46.2 20.7 26.5 58 58 A I - 0 0 5 -43,-2.2 2,-0.2 -2,-0.4 -30,-0.1 -0.788 27.7-108.7-126.5 169.4 45.2 17.1 27.0 59 59 A T > - 0 0 65 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.493 34.0-104.2 -94.9 170.2 47.0 13.8 27.4 60 60 A K H > S+ 0 0 102 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.912 121.2 50.4 -58.8 -47.1 47.1 11.0 24.9 61 61 A D H > S+ 0 0 119 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.883 109.9 50.7 -58.9 -40.6 44.7 8.9 26.8 62 62 A E H > S+ 0 0 35 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.901 110.8 49.6 -63.0 -41.4 42.3 11.8 27.0 63 63 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -34,-0.4 0.907 111.7 48.8 -63.0 -44.1 42.6 12.3 23.2 64 64 A E H X S+ 0 0 85 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.839 107.0 55.5 -67.3 -32.0 41.9 8.6 22.6 65 65 A K H X S+ 0 0 137 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.944 108.0 47.4 -65.3 -45.4 39.0 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.894 112.6 53.3 -59.3 -36.8 37.4 11.5 22.8 67 67 A F H X S+ 0 0 13 -4,-1.9 4,-2.6 1,-0.2 5,-0.3 0.944 107.5 48.0 -65.0 -50.0 38.3 9.5 19.7 68 68 A N H X S+ 0 0 87 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.897 112.8 49.4 -57.5 -44.1 36.6 6.4 20.9 69 69 A Q H X S+ 0 0 97 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.906 111.3 49.6 -62.3 -42.5 33.5 8.4 21.8 70 70 A D H X S+ 0 0 36 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.879 110.8 47.4 -66.1 -38.8 33.4 10.0 18.5 71 71 A V H X S+ 0 0 7 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.960 113.0 50.6 -65.8 -45.7 33.7 6.8 16.5 72 72 A D H X S+ 0 0 88 -4,-2.3 4,-2.3 -5,-0.3 5,-0.2 0.929 110.7 48.7 -56.6 -47.8 31.0 5.3 18.6 73 73 A A H X S+ 0 0 50 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.862 108.8 53.2 -63.5 -34.1 28.7 8.2 18.0 74 74 A A H X S+ 0 0 9 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.964 110.4 47.4 -67.0 -47.9 29.3 8.2 14.2 75 75 A V H X S+ 0 0 34 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.924 114.2 46.7 -56.3 -44.0 28.3 4.5 14.1 76 76 A R H X S+ 0 0 126 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.889 108.8 55.3 -70.5 -31.7 25.2 5.1 16.2 77 77 A G H X S+ 0 0 12 -4,-2.4 4,-1.1 -5,-0.2 3,-0.3 0.955 109.0 47.7 -64.3 -44.1 24.3 8.1 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.4 3,-0.7 1,-0.2 7,-0.5 0.940 110.7 51.8 -57.4 -49.1 24.4 6.0 10.9 79 79 A L H 3< S+ 0 0 64 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.773 113.0 43.9 -64.4 -27.5 22.3 3.3 12.5 80 80 A R H 3< S+ 0 0 216 -4,-1.7 2,-0.5 -3,-0.3 -1,-0.3 0.597 92.9 96.7 -91.6 -15.7 19.6 5.6 13.6 81 81 A N S+ 0 0 130 2,-0.1 4,-0.5 3,-0.1 -1,-0.2 0.778 120.0 42.5 -90.2 -32.2 18.8 7.3 5.0 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.5 -6,-0.1 3,-0.5 0.887 101.3 65.6 -81.9 -41.2 22.1 6.0 6.2 85 85 A K H X S+ 0 0 79 -4,-3.1 4,-2.9 -7,-0.5 5,-0.2 0.914 99.5 50.5 -50.4 -50.7 21.2 2.7 7.8 86 86 A P H > S+ 0 0 51 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.870 112.0 49.3 -59.4 -34.3 20.0 0.9 4.7 87 87 A V H >X S+ 0 0 1 -4,-0.5 4,-0.9 -3,-0.5 3,-0.5 0.973 111.8 47.2 -68.5 -50.4 23.2 1.9 2.9 88 88 A Y H >< S+ 0 0 36 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.909 109.7 53.7 -53.5 -46.7 25.4 0.8 5.7 89 89 A D H 3< S+ 0 0 78 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.831 107.3 53.1 -61.5 -30.9 23.6 -2.5 6.1 90 90 A S H << S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.645 96.5 87.0 -79.6 -16.1 24.1 -3.2 2.3 91 91 A L S << S- 0 0 6 -3,-1.1 31,-0.0 -4,-0.9 2,-0.0 -0.508 75.5-116.0 -91.3 160.9 27.8 -2.7 2.4 92 92 A D > - 0 0 55 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.204 44.5 -91.7 -77.6 173.1 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.849 122.4 48.0 -60.3 -39.6 33.1 -4.4 6.0 94 94 A V H > S+ 0 0 24 62,-0.2 4,-1.6 2,-0.2 3,-0.3 0.946 113.4 46.3 -67.9 -46.2 35.7 -2.2 4.2 95 95 A R H > S+ 0 0 24 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.875 105.4 61.2 -66.5 -31.4 33.1 0.0 2.6 96 96 A R H X S+ 0 0 77 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.922 102.3 52.7 -60.2 -39.1 31.3 0.4 5.9 97 97 A A H X S+ 0 0 6 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.2 0.893 105.8 54.2 -63.8 -36.5 34.5 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.877 108.2 48.2 -64.6 -36.6 34.5 4.4 4.5 99 99 A L H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.904 110.3 52.6 -69.1 -38.8 31.0 5.5 5.3 100 100 A I H X S+ 0 0 10 -4,-2.2 4,-3.0 1,-0.2 5,-0.2 0.937 106.5 54.7 -60.4 -43.1 31.9 5.8 8.9 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.938 108.1 47.3 -55.5 -48.8 34.8 8.0 7.9 102 102 A M H X S+ 0 0 3 -4,-1.9 4,-3.1 1,-0.2 5,-0.3 0.913 113.1 48.9 -61.8 -41.3 32.6 10.4 5.9 103 103 A V H X S+ 0 0 9 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.905 109.3 53.0 -64.8 -38.7 30.1 10.6 8.8 104 104 A F H < S+ 0 0 29 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.922 116.0 40.3 -61.7 -42.0 32.9 11.3 11.2 105 105 A Q H < S+ 0 0 57 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.933 132.2 17.1 -73.1 -50.1 34.1 14.1 9.1 106 106 A M H X S- 0 0 56 -4,-3.1 4,-0.6 -5,-0.2 -3,-0.2 0.448 102.2-112.9-110.4 -0.4 31.0 15.8 8.0 107 107 A G H X - 0 0 33 -4,-2.3 4,-2.2 -5,-0.3 5,-0.2 0.120 35.2 -79.4 84.6 154.6 28.2 14.7 10.3 108 108 A E H > S+ 0 0 66 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.880 128.3 51.9 -60.3 -41.3 25.2 12.5 9.6 109 109 A T H > S+ 0 0 117 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.946 108.1 52.3 -62.0 -45.1 23.2 15.3 8.1 110 110 A G H >< S+ 0 0 32 -4,-0.6 3,-0.6 1,-0.2 -2,-0.2 0.940 115.4 39.4 -57.3 -51.8 26.0 16.2 5.7 111 111 A V H >< S+ 0 0 0 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.874 106.3 63.6 -67.5 -38.5 26.4 12.6 4.4 112 112 A A H 3< S+ 0 0 12 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.781 95.3 65.7 -56.4 -23.6 22.7 11.9 4.4 113 113 A G T << S+ 0 0 53 -4,-1.1 2,-1.9 -3,-0.6 3,-0.3 0.597 73.9 87.1 -75.1 -13.1 22.6 14.7 1.7 114 114 A F <> + 0 0 41 -3,-2.4 4,-2.6 1,-0.2 5,-0.3 -0.323 56.3 160.5 -85.7 56.4 24.6 12.8 -0.8 115 115 A T H > + 0 0 90 -2,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.888 66.4 43.3 -44.6 -57.2 21.4 11.2 -2.1 116 116 A N H > S+ 0 0 85 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.902 114.2 50.0 -61.8 -43.4 22.5 10.1 -5.5 117 117 A S H > S+ 0 0 1 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.882 109.8 52.7 -62.0 -38.9 25.9 8.7 -4.3 118 118 A L H X S+ 0 0 12 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.903 108.3 49.5 -64.5 -41.1 24.1 6.8 -1.5 119 119 A R H X S+ 0 0 125 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.921 111.7 49.6 -65.5 -39.1 21.7 5.2 -4.0 120 120 A M H <>S+ 0 0 22 -4,-2.1 5,-2.2 2,-0.2 4,-0.4 0.919 110.4 49.2 -67.8 -40.5 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.941 109.4 52.0 -64.5 -42.8 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.890 110.1 49.3 -58.4 -37.8 23.4 0.8 -2.3 123 123 A Q T 3<5S- 0 0 83 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.456 112.5-121.6 -79.8 -1.6 23.1 -0.5 -5.9 124 124 A K T < 5 + 0 0 101 -3,-1.8 2,-1.3 -4,-0.4 -3,-0.2 0.803 61.3 148.2 62.7 34.0 26.8 -1.5 -5.8 125 125 A R >< + 0 0 102 -5,-2.2 4,-2.3 1,-0.2 -1,-0.2 -0.707 21.3 175.7 -96.9 79.1 27.6 0.7 -8.8 126 126 A W H > + 0 0 52 -2,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.902 69.7 42.4 -56.9 -55.9 31.1 1.4 -7.6 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.895 114.8 53.0 -62.7 -35.7 32.7 3.5 -10.4 128 128 A E H > S+ 0 0 112 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.929 109.7 47.3 -64.8 -45.3 29.5 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.903 108.1 56.0 -61.1 -40.8 29.4 6.4 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.898 108.5 47.6 -61.0 -40.1 33.0 7.4 -7.1 131 131 A V H X S+ 0 0 91 -4,-1.8 4,-0.6 2,-0.2 -1,-0.2 0.920 113.9 46.7 -67.2 -43.2 32.4 9.8 -9.9 132 132 A N H >< S+ 0 0 40 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.907 107.9 56.5 -66.1 -40.2 29.4 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.4 1,-0.3 -1,-0.2 0.875 101.2 58.3 -59.3 -35.3 31.2 11.5 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.3 2,-1.8 -5,-0.2 -1,-0.3 0.677 86.2 80.9 -70.4 -18.4 33.9 13.6 -6.4 135 135 A K S << S+ 0 0 162 -3,-1.2 2,-0.3 -4,-0.6 -1,-0.2 -0.519 80.6 94.5 -84.9 70.3 31.4 16.3 -7.5 136 136 A S S > S- 0 0 19 -2,-1.8 4,-1.9 1,-0.1 5,-0.2 -0.998 85.9-114.0-156.8 159.7 31.3 17.9 -4.2 137 137 A R H > S+ 0 0 146 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.920 115.3 63.0 -58.8 -40.9 32.6 20.7 -2.0 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.926 105.7 43.1 -49.4 -52.2 34.0 17.9 0.2 139 139 A Y H 4 S+ 0 0 59 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.906 115.4 48.5 -64.5 -42.2 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 109 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.885 116.6 42.3 -67.6 -35.5 37.4 20.1 -3.8 141 141 A Q H < S+ 0 0 104 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 131.6 19.6 -80.8 -40.1 38.2 21.3 -0.2 142 142 A T S X S+ 0 0 21 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 -0.568 74.7 162.2-129.3 69.5 40.0 18.1 1.1 143 143 A P H > + 0 0 51 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.858 68.5 50.6 -59.3 -44.4 41.0 16.3 -2.1 144 144 A N H > S+ 0 0 111 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.938 115.9 41.7 -66.1 -42.1 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.940 114.7 51.2 -66.5 -47.3 41.5 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.922 107.7 53.9 -55.7 -42.4 38.4 12.5 -0.2 147 147 A K H X S+ 0 0 101 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.874 107.0 51.7 -60.1 -40.1 40.4 10.5 -2.8 148 148 A R H X S+ 0 0 69 -4,-1.6 4,-1.6 -5,-0.2 -1,-0.2 0.932 113.1 43.5 -62.8 -45.2 41.4 8.0 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.914 114.0 50.8 -66.3 -42.8 37.8 7.4 1.0 150 150 A I H X S+ 0 0 13 -4,-2.8 4,-2.9 -5,-0.2 -1,-0.2 0.918 109.2 50.8 -61.4 -43.2 36.5 7.3 -2.6 151 151 A T H X S+ 0 0 36 -4,-2.2 4,-2.7 -5,-0.2 6,-0.4 0.855 107.6 54.8 -61.9 -35.5 39.1 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.927 111.4 42.8 -65.2 -44.4 38.0 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.887 115.4 51.3 -67.1 -37.7 34.4 2.8 -1.8 154 154 A R H < S+ 0 0 105 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.939 124.5 22.8 -64.1 -45.5 35.5 2.1 -5.4 155 155 A T H < S- 0 0 45 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.669 86.0-135.1 -97.7 -25.8 37.7 -1.0 -4.6 156 156 A G S < S+ 0 0 16 -4,-2.3 2,-0.2 -5,-0.3 -62,-0.2 0.730 73.5 101.2 72.9 19.7 36.5 -2.4 -1.4 157 157 A T S S- 0 0 46 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.785 79.9-120.5-127.8 174.8 40.1 -2.7 -0.3 158 158 A W S >> S+ 0 0 44 -2,-0.2 3,-2.5 1,-0.2 4,-0.5 0.165 71.8 120.7 -99.5 13.0 42.5 -0.7 2.0 159 159 A D G >4 + 0 0 92 1,-0.3 3,-1.1 2,-0.2 -1,-0.2 0.803 66.7 59.8 -50.5 -35.0 45.0 0.0 -0.7 160 160 A A G 34 S+ 0 0 36 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.666 108.6 45.7 -70.1 -14.0 44.7 3.8 -0.5 161 161 A Y G <4 0 0 18 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.407 360.0 360.0-108.2 0.1 45.8 3.6 3.1 162 162 A K << 0 0 170 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.864 360.0 360.0 -99.4 360.0 48.7 1.3 2.7