==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 28-MAY-93 122L . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR M.BLABER,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8652.0 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 . 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 . 8 4.9 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 2 1 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 73 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 154.7 43.5 -1.8 9.1 2 2 A N > - 0 0 67 156,-0.0 4,-2.6 95,-0.0 5,-0.2 -0.896 360.0 -80.2-152.3 177.6 40.2 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.804 125.5 52.2 -54.8 -37.6 38.1 2.3 11.3 4 4 A F H > S+ 0 0 80 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.949 112.6 42.6 -66.2 -50.9 40.3 3.6 14.1 5 5 A E H > S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.904 114.5 53.3 -62.3 -40.6 43.6 3.3 12.2 6 6 A M H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 3,-0.4 0.966 112.3 42.0 -59.3 -56.6 41.9 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.839 109.6 59.2 -62.7 -30.8 40.6 7.8 11.0 8 8 A R H X S+ 0 0 103 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.894 107.6 46.8 -66.1 -34.5 43.9 8.3 12.8 9 9 A I H < S+ 0 0 87 -4,-1.7 -2,-0.2 -3,-0.4 -1,-0.2 0.924 116.5 44.1 -70.3 -43.5 45.7 8.6 9.5 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.856 125.0 30.6 -70.7 -35.6 43.1 11.1 8.1 11 11 A E H < S- 0 0 45 -4,-2.6 19,-0.3 -5,-0.2 -1,-0.2 0.724 90.9-153.8 -98.7 -26.2 42.8 13.2 11.1 12 12 A G < - 0 0 23 -4,-1.8 2,-0.4 -5,-0.3 -1,-0.1 -0.161 25.9 -88.2 75.8-175.0 46.2 13.1 12.8 13 13 A L + 0 0 38 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.982 42.1 173.7-137.3 128.5 46.7 13.6 16.5 14 14 A R E -A 28 0A 142 14,-1.5 14,-2.4 -2,-0.4 4,-0.1 -0.999 19.0-161.8-138.0 130.7 47.2 17.0 18.2 15 15 A L E S+ 0 0 65 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.389 74.1 60.2 -93.9 -0.0 47.3 17.6 21.9 16 16 A K E S-C 57 0B 150 41,-0.2 41,-0.2 12,-0.1 12,-0.2 -0.921 101.5 -84.0-125.5 150.1 46.8 21.4 21.9 17 17 A I E + 0 0 31 39,-1.5 2,-0.3 -2,-0.3 10,-0.2 -0.272 59.4 169.7 -50.0 136.2 43.8 23.3 20.5 18 18 A Y E -A 26 0A 28 8,-2.8 8,-3.0 -4,-0.1 2,-0.4 -0.902 36.4-104.7-142.8 168.4 44.2 23.8 16.7 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 5,-0.0 -0.841 33.4-138.2 -98.5 134.7 42.2 25.0 13.8 20 20 A D > - 0 0 49 4,-3.0 3,-1.9 -2,-0.4 -1,-0.1 -0.082 42.3 -79.1 -75.6-172.5 40.9 22.4 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.731 134.4 50.4 -62.3 -23.7 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.402 123.8-103.9 -92.9 -2.3 37.7 25.0 7.9 23 23 A G S < S+ 0 0 37 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.570 74.7 141.6 88.7 14.4 39.3 27.2 10.5 24 24 A Y - 0 0 78 1,-0.1 -4,-3.0 9,-0.0 -1,-0.3 -0.732 59.6-101.7 -96.2 144.5 37.4 25.6 13.4 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-2.9 11,-0.4 9,-1.3 -0.407 54.3 160.7 -63.0 126.9 38.8 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.0 -8,-2.8 6,-0.3 2,-0.3 -0.872 19.1-168.9-140.6 166.0 39.6 21.2 17.3 27 27 A I E > + B 0 31A 0 4,-1.6 4,-2.0 -2,-0.3 2,-0.2 -0.982 52.0 2.4-153.6 161.2 41.7 19.0 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-2.4 -14,-1.5 -2,-0.3 2,-0.9 -0.434 122.4 -6.3 71.4-133.5 42.9 15.4 19.6 29 29 A I T 4 S- 0 0 4 34,-0.4 -1,-0.2 -16,-0.2 -17,-0.1 -0.679 127.7 -53.1 -99.4 72.4 42.0 13.1 16.7 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.782 83.2 160.0 70.9 25.9 39.6 15.4 14.8 31 31 A H E < -B 27 0A 32 -4,-2.0 -4,-1.6 1,-0.0 -1,-0.2 -0.712 33.7-142.2 -86.2 105.4 37.4 16.3 17.7 32 32 A L E -B 26 0A 70 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.397 19.2-176.4 -66.8 131.3 35.6 19.5 16.7 33 33 A L E - 0 0 15 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.888 58.5 -25.9 -92.4 -49.0 35.1 21.8 19.8 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.7 2,-0.1 -1,-0.4 -0.967 35.7-137.8-164.1 153.0 33.2 24.7 18.5 35 35 A K S S+ 0 0 134 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.463 74.8 110.4 -92.8 -4.8 32.4 26.6 15.3 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.417 73.5-131.4 -72.5 146.6 32.7 29.9 17.2 37 37 A P S S+ 0 0 118 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.639 76.4 104.4 -71.5 -14.1 35.6 32.1 16.6 38 38 A S > - 0 0 47 1,-0.2 4,-1.8 2,-0.0 3,-0.1 -0.618 56.8-160.4 -80.6 121.6 36.4 32.5 20.2 39 39 A L H > S+ 0 0 74 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.772 97.2 55.5 -64.1 -25.8 39.3 30.6 21.6 40 40 A N H > S+ 0 0 124 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.909 103.5 51.4 -76.1 -37.4 37.7 31.0 25.0 41 41 A A H > S+ 0 0 37 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.861 111.8 50.0 -62.8 -34.1 34.5 29.5 23.9 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.909 109.1 50.0 -70.6 -41.0 36.7 26.5 22.6 43 43 A K H X S+ 0 0 55 -4,-2.3 4,-2.4 1,-0.2 11,-0.2 0.892 109.8 52.2 -66.0 -35.9 38.6 26.2 25.9 44 44 A S H X S+ 0 0 70 -4,-2.1 4,-1.8 2,-0.2 -1,-0.2 0.907 110.3 46.6 -68.0 -37.1 35.4 26.1 27.8 45 45 A E H X S+ 0 0 65 -4,-1.6 4,-2.5 1,-0.2 -2,-0.2 0.902 111.6 54.3 -70.1 -38.8 34.0 23.3 25.5 46 46 A L H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 5,-0.3 0.938 108.1 46.4 -60.4 -48.1 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 34 -4,-2.4 4,-2.5 1,-0.2 5,-1.2 0.908 113.6 50.3 -61.2 -39.8 37.1 21.6 29.8 48 48 A K H <5S+ 0 0 140 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.891 110.6 48.6 -65.4 -39.4 33.5 20.5 29.7 49 49 A A H <5S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.862 120.8 36.0 -70.3 -36.2 34.3 17.6 27.4 50 50 A I H <5S- 0 0 37 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.687 101.8-127.1 -87.4 -27.4 37.3 16.4 29.5 51 51 A G T <5S+ 0 0 68 -4,-2.5 2,-0.3 1,-0.3 -3,-0.2 0.832 77.3 75.4 81.1 31.8 35.9 17.1 33.0 52 52 A R S - 0 0 10 -2,-0.9 3,-1.4 -11,-0.2 -1,-0.2 0.657 33.2-143.9 -96.9 -19.8 42.7 21.9 30.8 55 55 A N T 3 S- 0 0 122 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.826 75.4 -58.1 55.3 31.5 44.1 25.3 29.8 56 56 A G T 3 S+ 0 0 7 -13,-0.2 -39,-1.5 1,-0.2 2,-0.4 0.545 116.7 99.0 80.2 8.6 43.8 24.0 26.1 57 57 A V B < +C 16 0B 62 -3,-1.4 2,-0.2 -41,-0.2 -41,-0.2 -0.986 44.7 178.9-131.5 139.4 46.0 21.0 26.4 58 58 A I - 0 0 4 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.783 26.7-109.8-129.2 168.8 45.1 17.3 26.9 59 59 A T > - 0 0 66 -2,-0.2 4,-2.5 1,-0.1 3,-0.2 -0.571 33.9-103.7 -95.2 169.4 47.0 14.0 27.2 60 60 A K H > S+ 0 0 106 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.909 121.8 52.4 -55.9 -46.1 47.2 11.2 24.7 61 61 A D H > S+ 0 0 122 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.840 109.4 48.6 -57.8 -42.8 44.7 9.0 26.8 62 62 A E H > S+ 0 0 38 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.896 111.3 51.1 -67.4 -40.2 42.2 11.9 26.9 63 63 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -34,-0.4 0.925 111.5 47.8 -60.1 -46.4 42.5 12.3 23.1 64 64 A E H X S+ 0 0 74 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.845 108.5 54.6 -64.7 -32.1 41.9 8.6 22.6 65 65 A K H X S+ 0 0 133 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.958 109.0 46.0 -68.1 -45.5 39.0 8.7 24.9 66 66 A L H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.913 112.4 54.8 -61.2 -38.0 37.2 11.5 22.9 67 67 A F H X S+ 0 0 13 -4,-2.3 4,-2.5 -5,-0.2 5,-0.3 0.943 105.6 48.9 -62.0 -49.6 38.1 9.5 19.8 68 68 A N H X S+ 0 0 89 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.912 113.4 48.8 -57.4 -39.9 36.4 6.3 21.0 69 69 A Q H X S+ 0 0 94 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.918 110.7 50.1 -66.2 -40.8 33.3 8.3 21.9 70 70 A D H X S+ 0 0 33 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.879 111.4 46.8 -67.6 -37.8 33.3 10.1 18.5 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.955 112.9 50.4 -66.4 -47.0 33.5 6.8 16.5 72 72 A D H X S+ 0 0 90 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.946 111.7 48.2 -57.0 -44.9 30.8 5.2 18.7 73 73 A S H X S+ 0 0 54 -4,-2.4 4,-2.8 -5,-0.2 -1,-0.2 0.917 108.7 52.7 -64.2 -42.0 28.6 8.2 18.1 74 74 A A H X S+ 0 0 10 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.959 112.4 45.7 -57.6 -51.2 29.2 8.2 14.3 75 75 A V H X S+ 0 0 33 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.960 114.5 46.9 -55.8 -51.9 28.2 4.5 14.1 76 76 A R H X S+ 0 0 110 -4,-2.7 4,-1.3 -5,-0.2 -1,-0.2 0.889 111.0 53.0 -59.9 -36.7 25.1 5.0 16.4 77 77 A G H X S+ 0 0 2 -4,-2.8 4,-0.8 -5,-0.3 3,-0.4 0.934 108.9 49.1 -64.1 -45.4 24.1 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 7,-0.3 0.941 110.9 50.7 -56.0 -47.1 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 70 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.716 112.3 47.3 -67.3 -20.6 22.2 3.3 12.6 80 80 A R H 3< S+ 0 0 175 -4,-1.3 2,-0.6 -3,-0.4 -1,-0.3 0.493 91.8 94.9 -93.7 -13.7 19.6 5.8 13.7 81 81 A N S+ 0 0 0 -6,-0.2 4,-2.7 -7,-0.2 3,-0.3 0.824 102.2 69.3 -86.5 -38.4 22.0 6.1 6.2 85 85 A K H X S+ 0 0 82 -4,-2.7 4,-2.8 -7,-0.3 5,-0.2 0.888 98.6 48.8 -49.5 -48.5 21.1 2.9 7.8 86 86 A P H > S+ 0 0 50 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.859 112.1 49.9 -65.7 -32.0 20.0 1.0 4.7 87 87 A V H > S+ 0 0 2 -4,-0.4 4,-1.0 -3,-0.3 3,-0.3 0.957 112.0 47.4 -67.7 -50.1 23.1 2.0 2.9 88 88 A Y H >< S+ 0 0 34 -4,-2.7 3,-1.1 1,-0.2 -1,-0.2 0.934 110.0 53.6 -53.9 -47.8 25.3 0.8 5.8 89 89 A D H 3< S+ 0 0 79 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.823 107.5 52.1 -61.4 -31.5 23.4 -2.5 6.1 90 90 A S H 3< S+ 0 0 36 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.685 96.2 87.1 -78.5 -18.0 24.0 -3.1 2.4 91 91 A L S << S- 0 0 5 -3,-1.1 2,-0.1 -4,-1.0 31,-0.0 -0.444 75.0-117.3 -87.7 158.8 27.8 -2.7 2.4 92 92 A D > - 0 0 57 -2,-0.1 4,-1.8 1,-0.0 -1,-0.1 -0.251 45.6 -90.4 -79.2 173.2 30.7 -5.0 3.1 93 93 A A H > S+ 0 0 79 1,-0.2 4,-1.6 2,-0.2 -2,-0.1 0.869 122.7 48.6 -58.6 -41.2 33.0 -4.3 6.2 94 94 A V H > S+ 0 0 26 1,-0.2 4,-1.3 62,-0.2 -1,-0.2 0.924 112.3 46.8 -66.0 -47.7 35.5 -2.2 4.4 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.821 104.9 61.1 -67.8 -28.5 33.0 0.0 2.7 96 96 A R H X S+ 0 0 77 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.933 101.8 54.4 -60.2 -42.6 31.1 0.5 6.0 97 97 A A H X S+ 0 0 6 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.887 105.3 53.3 -58.4 -40.0 34.4 2.0 7.4 98 98 A A H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.896 109.1 48.4 -63.2 -40.5 34.4 4.5 4.5 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.905 110.1 51.3 -67.3 -36.8 30.9 5.6 5.3 100 100 A I H X S+ 0 0 8 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.938 107.3 55.0 -64.2 -40.8 31.8 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 0.943 107.9 47.6 -57.0 -49.3 34.7 8.1 8.0 102 102 A M H X S+ 0 0 4 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.896 113.2 48.7 -60.2 -41.9 32.5 10.5 6.0 103 103 A V H X S+ 0 0 8 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.925 109.1 52.5 -65.4 -40.0 30.0 10.7 8.8 104 104 A F H < S+ 0 0 31 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.914 116.5 41.2 -61.3 -39.8 32.8 11.4 11.3 105 105 A Q H < S+ 0 0 56 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.909 132.6 15.2 -74.0 -51.8 34.1 14.3 9.1 106 106 A M H X S- 0 0 55 -4,-2.7 4,-0.7 -5,-0.2 -3,-0.2 0.452 103.8-113.4-112.9 2.8 31.0 16.0 8.0 107 107 A G H X - 0 0 32 -4,-2.5 4,-2.1 -5,-0.3 5,-0.2 0.192 34.1 -79.1 82.4 155.5 28.2 14.8 10.2 108 108 A E H > S+ 0 0 55 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.864 127.0 53.8 -61.2 -39.1 25.2 12.6 9.6 109 109 A T H > S+ 0 0 124 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.941 108.6 48.6 -63.8 -46.1 23.2 15.5 8.1 110 110 A G H >< S+ 0 0 33 -4,-0.7 3,-0.8 1,-0.2 4,-0.2 0.936 114.4 44.5 -60.5 -49.5 25.9 16.3 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-2.7 1,-0.3 -1,-0.2 0.915 106.5 59.0 -62.4 -42.1 26.3 12.7 4.4 112 112 A A H 3< S+ 0 0 10 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.768 96.1 67.7 -59.6 -22.5 22.6 12.1 4.2 113 113 A G T << S+ 0 0 55 -4,-1.0 2,-1.7 -3,-0.8 -1,-0.3 0.590 75.1 84.9 -71.3 -14.1 22.6 15.0 1.8 114 114 A F <> + 0 0 40 -3,-2.7 4,-2.5 -4,-0.2 5,-0.3 -0.284 57.3 159.9 -84.4 54.6 24.6 12.9 -0.8 115 115 A T H > + 0 0 83 -2,-1.7 4,-1.6 1,-0.2 -1,-0.2 0.836 66.7 42.5 -44.8 -53.0 21.3 11.4 -2.1 116 116 A N H > S+ 0 0 86 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.892 114.3 49.4 -66.9 -43.0 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.893 109.5 53.9 -64.3 -37.7 25.8 8.8 -4.3 118 118 A L H X S+ 0 0 14 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.897 108.5 48.9 -61.7 -42.3 24.0 6.9 -1.5 119 119 A R H X S+ 0 0 117 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.917 111.2 50.5 -65.9 -38.4 21.6 5.3 -4.0 120 120 A M H <>S+ 0 0 24 -4,-2.2 5,-2.1 2,-0.2 4,-0.3 0.879 110.0 48.9 -67.5 -40.0 24.6 4.3 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.4 3,-1.8 1,-0.2 -1,-0.2 0.935 109.1 53.2 -63.9 -42.8 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 91 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.876 109.8 48.6 -60.1 -31.9 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 84 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.491 112.6-121.6 -86.7 -3.5 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 98 -3,-1.8 2,-1.3 -4,-0.3 -3,-0.2 0.729 62.1 145.9 66.2 30.7 26.7 -1.5 -5.8 125 125 A R >< + 0 0 113 -5,-2.1 4,-2.5 1,-0.2 -1,-0.2 -0.711 20.9 173.4 -95.8 76.5 27.6 0.7 -8.9 126 126 A W H > + 0 0 49 -2,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.884 69.7 46.7 -56.4 -50.8 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 111 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.908 114.7 47.4 -61.6 -43.6 32.6 3.3 -10.4 128 128 A E H > S+ 0 0 112 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.879 110.9 50.9 -66.8 -38.5 29.5 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 1,-0.2 -1,-0.2 0.897 107.8 54.2 -65.5 -39.1 29.3 6.3 -7.1 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.904 108.9 47.9 -62.1 -39.3 33.0 7.3 -7.1 131 131 A V H < S+ 0 0 88 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.906 114.7 45.4 -66.7 -43.8 32.5 9.7 -10.0 132 132 A N H >< S+ 0 0 40 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.901 107.2 57.7 -68.1 -38.8 29.4 11.3 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-3.1 6,-0.3 1,-0.2 -1,-0.2 0.842 101.1 58.7 -59.1 -33.0 31.1 11.5 -4.8 134 134 A A T 3< S+ 0 0 27 -4,-1.2 2,-1.7 1,-0.2 -1,-0.2 0.620 86.0 79.2 -74.8 -14.5 33.9 13.7 -6.4 135 135 A K S < S+ 0 0 158 -3,-1.2 2,-0.3 -4,-0.4 -1,-0.2 -0.560 80.4 96.5 -90.6 70.1 31.4 16.3 -7.6 136 136 A S S > S- 0 0 17 -2,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.996 86.1-115.8-153.2 155.3 31.2 17.9 -4.2 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.1 1,-0.2 5,-0.3 0.891 115.8 64.0 -58.9 -35.6 32.6 20.7 -2.1 138 138 A W H > S+ 0 0 15 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.936 104.7 42.2 -49.8 -53.5 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 58 -6,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 116.1 49.4 -66.0 -40.1 36.2 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 0.869 115.2 42.1 -69.8 -34.6 37.3 20.1 -3.7 141 141 A Q H < S+ 0 0 105 -4,-3.1 -2,-0.2 1,-0.2 -3,-0.2 0.878 131.7 20.8 -80.9 -40.9 38.2 21.3 -0.3 142 142 A T S X S+ 0 0 20 -4,-2.3 4,-2.4 -5,-0.3 -1,-0.2 -0.531 73.2 161.5-127.8 72.1 39.9 18.1 1.0 143 143 A P H > S+ 0 0 45 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.835 70.2 51.8 -64.6 -38.2 40.9 16.3 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.946 116.4 40.0 -68.3 -41.3 43.6 14.0 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.923 115.0 52.6 -68.8 -44.2 41.4 12.7 2.0 146 146 A A H X S+ 0 0 0 -4,-2.4 4,-3.2 -8,-0.2 5,-0.2 0.934 108.0 52.5 -55.8 -47.1 38.3 12.5 -0.3 147 147 A K H X S+ 0 0 92 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.883 107.8 51.1 -57.7 -42.3 40.3 10.4 -2.8 148 148 A R H X S+ 0 0 71 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.927 114.5 42.8 -62.1 -45.5 41.4 7.9 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.922 114.6 49.9 -66.8 -44.8 37.7 7.5 1.0 150 150 A I H X S+ 0 0 13 -4,-3.2 4,-2.6 1,-0.2 -1,-0.2 0.880 108.9 51.8 -60.6 -41.1 36.4 7.3 -2.6 151 151 A T H X S+ 0 0 35 -4,-2.4 4,-2.6 -5,-0.2 6,-0.4 0.870 107.2 54.4 -64.8 -33.8 39.0 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 -2,-0.2 0.902 111.4 44.4 -65.7 -40.9 37.9 2.6 -0.5 153 153 A F H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.901 115.3 49.3 -68.2 -39.6 34.3 2.8 -1.8 154 154 A R H < S+ 0 0 106 -4,-2.6 -2,-0.2 -5,-0.2 -1,-0.2 0.923 125.8 23.1 -64.7 -45.7 35.4 2.0 -5.4 155 155 A T H < S- 0 0 43 -4,-2.6 -2,-0.2 2,-0.2 -3,-0.2 0.673 85.4-135.2 -99.3 -25.5 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 17 -4,-2.3 2,-0.3 -5,-0.3 -62,-0.2 0.756 73.6 101.4 71.7 20.7 36.4 -2.4 -1.3 157 157 A T S S- 0 0 47 -6,-0.4 3,-0.3 -5,-0.2 -1,-0.3 -0.847 80.0-121.1-129.7 171.0 40.0 -2.7 -0.1 158 158 A W S >> S+ 0 0 42 -2,-0.3 3,-2.5 1,-0.2 4,-0.7 0.173 71.3 122.4 -94.9 13.9 42.3 -0.6 2.1 159 159 A D G >4 + 0 0 97 1,-0.3 3,-1.3 2,-0.2 -1,-0.2 0.853 66.1 58.6 -48.7 -38.4 44.8 -0.0 -0.6 160 160 A A G 34 S+ 0 0 35 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.674 108.9 47.8 -66.3 -16.5 44.6 3.8 -0.4 161 161 A Y G <4 0 0 18 -3,-2.5 -1,-0.3 -13,-0.1 -2,-0.2 0.456 360.0 360.0-105.9 -2.1 45.7 3.5 3.2 162 162 A K << 0 0 174 -3,-1.3 -2,-0.2 -4,-0.7 -3,-0.1 0.827 360.0 360.0-102.7 360.0 48.6 1.2 2.7