==== 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 250L . 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) . 8545.0 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 . 8 4.9 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 . 86 53.1 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, 0.0 157,-0.0 0.000 360.0 360.0 360.0 146.3 43.5 -2.0 9.0 2 2 A N > - 0 0 69 156,-0.0 4,-2.7 95,-0.0 5,-0.2 -0.937 360.0 -83.3-151.7 174.0 40.4 -0.9 10.8 3 3 A I H > S+ 0 0 28 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.840 124.1 49.8 -54.2 -41.1 38.2 2.2 11.3 4 4 A F H > S+ 0 0 77 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.938 113.1 44.5 -67.7 -45.8 40.4 3.6 14.1 5 5 A E H > S+ 0 0 103 2,-0.2 4,-1.6 1,-0.2 -2,-0.2 0.887 114.4 52.4 -64.0 -35.8 43.6 3.2 12.2 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.3 0.960 112.1 42.6 -65.6 -50.2 42.0 4.7 9.2 7 7 A L H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.5 0.857 108.4 60.5 -67.1 -29.8 40.7 7.7 10.9 8 8 A R H X S+ 0 0 97 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.899 106.9 47.0 -63.0 -35.8 44.0 8.2 12.8 9 9 A I H < S+ 0 0 89 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.900 117.1 43.1 -70.2 -42.0 45.7 8.5 9.4 10 10 A D H < S+ 0 0 21 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.835 128.4 24.5 -74.8 -33.2 43.1 10.9 8.2 11 11 A E H < S- 0 0 42 -4,-3.1 19,-0.3 -5,-0.2 3,-0.2 0.746 88.6-150.6-104.4 -27.8 42.7 13.1 11.2 12 12 A G < - 0 0 23 -4,-1.9 -1,-0.1 -5,-0.5 2,-0.1 -0.299 25.0 -96.6 80.4-170.5 46.0 12.8 13.2 13 13 A L - 0 0 19 16,-0.1 2,-0.3 -2,-0.1 16,-0.2 -0.502 41.7-179.4-151.3 78.1 46.0 13.2 16.9 14 14 A R E -A 28 0A 143 14,-1.6 14,-2.3 -3,-0.2 4,-0.1 -0.603 16.5-160.5 -83.7 137.9 47.0 16.6 18.2 15 15 A L E S+ 0 0 59 -2,-0.3 43,-2.4 12,-0.2 2,-0.3 0.487 72.6 63.0 -97.4 -8.4 47.2 17.2 21.9 16 16 A K E S-C 57 0B 88 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.907 101.5 -88.2-116.3 147.6 46.9 21.0 21.9 17 17 A I E + 0 0 12 39,-1.8 2,-0.3 -2,-0.3 10,-0.2 -0.242 58.4 173.6 -51.5 136.5 43.9 23.0 20.6 18 18 A Y E -A 26 0A 23 8,-3.0 8,-3.0 -4,-0.1 2,-0.4 -0.896 34.0-103.8-140.4 171.8 44.3 23.5 16.9 19 19 A K E -A 25 0A 125 -2,-0.3 6,-0.2 6,-0.2 8,-0.0 -0.846 34.5-138.5-101.2 133.9 42.3 24.9 13.9 20 20 A D > - 0 0 48 4,-2.9 3,-2.4 -2,-0.4 -1,-0.1 -0.089 41.4 -78.9 -78.4-172.5 40.9 22.4 11.5 21 21 A T T 3 S+ 0 0 111 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.726 135.2 48.8 -61.1 -21.0 40.8 22.8 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.337 123.3-103.9 -99.9 6.0 37.9 25.2 8.0 23 23 A G S < S+ 0 0 38 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.669 74.5 140.5 82.6 16.8 39.6 27.3 10.7 24 24 A Y - 0 0 84 1,-0.1 -4,-2.9 9,-0.0 -1,-0.3 -0.779 59.4-103.4-100.2 146.5 37.6 25.8 13.6 25 25 A Y E +AB 19 34A 39 9,-0.6 8,-2.9 -2,-0.4 9,-1.3 -0.404 53.7 159.4 -64.0 126.5 39.0 25.0 17.0 26 26 A T E -AB 18 32A 1 -8,-3.0 -8,-3.0 6,-0.3 2,-0.3 -0.881 23.8-157.0-142.6 167.5 39.5 21.3 17.5 27 27 A I E > - B 0 31A 0 4,-1.7 4,-2.0 -2,-0.3 -12,-0.2 -0.969 55.6 -7.3-146.1 160.4 41.5 18.9 19.6 28 28 A G E 4 S-A 14 0A 0 -14,-2.3 -14,-1.6 -2,-0.3 2,-1.2 -0.305 123.8 -0.6 61.3-133.3 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 -0.595 128.3 -56.2 -93.3 69.5 41.5 13.3 16.3 30 30 A G T 4 S+ 0 0 21 -2,-1.2 2,-1.0 -19,-0.3 -2,-0.2 0.739 81.8 161.3 69.1 25.4 39.3 15.8 14.6 31 31 A H E < -B 27 0A 33 -4,-2.0 -4,-1.7 32,-0.0 -1,-0.2 -0.654 34.3-140.3 -79.0 100.5 37.1 16.5 17.7 32 32 A L E -B 26 0A 72 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.407 21.2-176.5 -62.8 130.8 35.5 19.9 16.9 33 33 A L E - 0 0 15 -8,-2.9 2,-0.3 1,-0.4 -7,-0.2 0.892 59.1 -23.8 -92.5 -50.2 35.2 22.1 19.9 34 34 A T E -B 25 0A 28 -9,-1.3 -9,-0.6 2,-0.1 -1,-0.4 -0.979 35.3-139.2-161.2 154.1 33.4 25.1 18.6 35 35 A K S S+ 0 0 139 -2,-0.3 -1,-0.1 -11,-0.1 -3,-0.0 0.402 74.5 110.3 -95.9 0.3 32.6 27.1 15.5 36 36 A S S S- 0 0 40 2,-0.1 -11,-0.3 1,-0.1 6,-0.1 -0.526 74.7-130.3 -80.0 140.9 33.1 30.3 17.4 37 37 A P S S+ 0 0 122 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.586 77.8 106.5 -63.6 -13.4 36.1 32.4 16.7 38 38 A S > - 0 0 46 1,-0.2 4,-2.0 2,-0.0 -2,-0.1 -0.641 55.4-162.8 -82.7 121.3 36.9 32.6 20.4 39 39 A L H > S+ 0 0 62 -2,-0.5 4,-2.6 1,-0.2 5,-0.2 0.808 95.6 57.1 -66.1 -31.5 39.8 30.6 21.9 40 40 A N H > S+ 0 0 121 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.922 104.3 49.2 -68.1 -42.1 38.2 31.1 25.3 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.948 111.0 52.7 -62.0 -38.6 35.0 29.5 24.2 42 42 A A H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.920 108.4 48.6 -60.9 -46.9 37.2 26.7 22.8 43 43 A K H X S+ 0 0 49 -4,-2.6 4,-2.4 1,-0.2 11,-0.3 0.891 109.8 53.3 -62.7 -35.2 38.9 26.2 26.1 44 44 A S H X S+ 0 0 70 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.938 109.8 47.0 -66.9 -42.6 35.6 26.2 27.9 45 45 A E H X S+ 0 0 66 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.919 110.7 53.4 -66.0 -38.1 34.3 23.5 25.6 46 46 A L H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 5,-0.3 0.933 108.9 47.7 -63.3 -43.5 37.5 21.5 26.0 47 47 A D H X>S+ 0 0 32 -4,-2.4 4,-2.4 1,-0.2 5,-1.1 0.913 111.2 50.9 -64.2 -39.5 37.2 21.6 29.8 48 48 A K H <5S+ 0 0 143 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.875 110.8 50.4 -63.7 -36.2 33.6 20.6 29.7 49 49 A A H <5S+ 0 0 42 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.883 120.4 32.4 -71.5 -35.0 34.5 17.6 27.4 50 50 A I H <5S- 0 0 34 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.708 104.3-122.4 -97.7 -23.2 37.3 16.2 29.5 51 51 A G T <5S+ 0 0 65 -4,-2.4 2,-0.3 -5,-0.3 -3,-0.2 0.791 77.0 74.2 88.1 29.3 36.1 17.1 32.9 52 52 A R S - 0 0 9 -2,-0.9 3,-0.7 -11,-0.3 -1,-0.2 0.742 34.4-139.5 -95.2 -31.2 42.8 21.8 30.9 55 55 A N T 3 S- 0 0 120 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.885 72.5 -56.5 69.6 37.4 44.2 25.0 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.8 1,-0.2 2,-0.5 0.481 116.8 103.5 73.7 5.2 43.9 23.9 26.0 57 57 A V B < -C 16 0B 67 -3,-0.7 2,-0.3 -41,-0.2 -41,-0.2 -0.959 46.9-173.2-125.8 133.0 46.0 20.8 26.5 58 58 A A - 0 0 3 -43,-2.4 2,-0.2 -2,-0.5 -30,-0.1 -0.808 24.4-119.5-113.7 159.0 44.8 17.2 26.7 59 59 A T > - 0 0 55 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.494 34.4-102.7 -90.6 170.2 46.8 14.1 27.5 60 60 A K H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 121.9 49.1 -58.9 -47.2 47.0 11.3 25.0 61 61 A D H > S+ 0 0 117 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 109.2 52.4 -61.1 -38.9 44.5 9.1 26.9 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.923 111.0 47.5 -62.1 -45.1 42.0 12.0 27.1 63 63 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -34,-0.4 0.884 111.8 51.1 -61.8 -41.8 42.2 12.6 23.3 64 64 A E H X S+ 0 0 77 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.858 106.9 53.1 -67.0 -33.8 41.8 8.9 22.7 65 65 A K H X S+ 0 0 140 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.936 108.7 49.0 -67.4 -41.2 38.8 8.7 24.9 66 66 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.918 111.3 52.6 -60.4 -39.3 37.3 11.6 22.9 67 67 A F H X S+ 0 0 14 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.938 107.7 49.0 -62.5 -48.3 38.2 9.6 19.8 68 68 A N H X S+ 0 0 88 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.914 112.2 49.2 -58.6 -45.6 36.5 6.4 21.0 69 69 A Q H X S+ 0 0 98 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.914 110.6 50.2 -61.2 -42.0 33.3 8.4 21.8 70 70 A D H X S+ 0 0 36 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.880 110.7 48.4 -68.1 -36.2 33.2 10.1 18.4 71 71 A V H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.959 112.1 49.8 -66.8 -45.1 33.6 6.8 16.5 72 72 A D H X S+ 0 0 86 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.917 111.6 49.1 -57.5 -44.8 30.9 5.3 18.6 73 73 A A H X S+ 0 0 48 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.869 107.9 53.5 -65.4 -36.2 28.6 8.3 18.0 74 74 A A H X S+ 0 0 9 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.960 110.7 46.5 -64.6 -48.9 29.2 8.2 14.2 75 75 A V H X S+ 0 0 33 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.922 114.7 47.3 -56.3 -45.4 28.2 4.5 14.0 76 76 A R H X S+ 0 0 123 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.894 108.7 54.0 -68.0 -35.9 25.2 5.1 16.1 77 77 A G H X S+ 0 0 2 -4,-2.6 4,-1.0 1,-0.2 3,-0.4 0.957 109.4 49.4 -62.7 -44.3 24.2 8.1 14.1 78 78 A I H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 7,-0.5 0.954 110.5 49.6 -57.0 -50.2 24.3 6.0 11.0 79 79 A L H 3< S+ 0 0 66 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.759 112.8 47.0 -65.0 -23.6 22.2 3.3 12.5 80 80 A R H 3< S+ 0 0 184 -4,-1.7 2,-0.5 -3,-0.4 -1,-0.3 0.564 91.8 96.6 -90.8 -13.8 19.6 5.7 13.6 81 81 A N > S+ 0 0 0 -6,-0.2 4,-2.4 -7,-0.2 3,-0.6 0.888 100.3 66.2 -83.1 -42.4 21.9 6.0 6.2 85 85 A K H 3X S+ 0 0 86 -4,-2.9 4,-3.1 -7,-0.5 5,-0.3 0.899 98.2 52.1 -48.4 -49.2 21.1 2.8 7.8 86 86 A P H 3> S+ 0 0 57 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.884 111.2 47.8 -62.0 -33.3 20.0 0.9 4.7 87 87 A V H <> S+ 0 0 2 -3,-0.6 4,-0.8 -4,-0.5 3,-0.3 0.952 112.2 48.8 -71.0 -45.3 23.2 1.8 2.8 88 88 A Y H >< S+ 0 0 34 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.933 109.2 52.6 -57.0 -46.7 25.3 0.8 5.7 89 89 A D H 3< S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.805 107.2 54.5 -62.9 -27.4 23.5 -2.5 6.0 90 90 A S H 3< S+ 0 0 37 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.636 95.7 87.1 -80.9 -13.4 24.0 -3.2 2.4 91 91 A L S << S- 0 0 7 -3,-1.3 2,-0.1 -4,-0.8 31,-0.0 -0.536 75.0-115.7 -93.5 161.8 27.8 -2.8 2.4 92 92 A D > - 0 0 56 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.236 45.2 -92.7 -77.8 170.7 30.8 -5.0 3.1 93 93 A A H > S+ 0 0 81 2,-0.2 4,-1.3 1,-0.2 -1,-0.1 0.832 122.4 48.0 -59.8 -39.2 33.1 -4.4 6.1 94 94 A V H > S+ 0 0 24 62,-0.2 4,-1.5 2,-0.2 3,-0.4 0.960 113.3 46.3 -68.3 -46.6 35.6 -2.2 4.3 95 95 A R H > S+ 0 0 25 1,-0.2 4,-1.8 2,-0.2 -2,-0.2 0.857 106.0 60.7 -65.9 -31.7 33.1 0.0 2.6 96 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.908 102.5 53.0 -59.7 -37.9 31.2 0.4 5.9 97 97 A A H X S+ 0 0 5 -4,-1.3 4,-2.7 -3,-0.4 -1,-0.2 0.902 105.4 53.8 -64.9 -36.9 34.4 1.9 7.3 98 98 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.890 109.3 48.0 -62.2 -38.9 34.4 4.4 4.4 99 99 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.913 110.4 51.7 -68.0 -40.3 30.9 5.4 5.2 100 100 A I H X S+ 0 0 10 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.936 107.3 53.9 -59.1 -45.0 31.8 5.8 8.9 101 101 A N H X S+ 0 0 0 -4,-2.7 4,-2.0 1,-0.2 5,-0.2 0.937 108.0 48.6 -56.4 -48.5 34.7 8.0 7.9 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 5,-0.3 0.926 112.8 48.3 -58.9 -45.1 32.5 10.4 5.9 103 103 A V H X S+ 0 0 9 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.890 109.0 53.6 -62.9 -38.3 30.0 10.6 8.8 104 104 A F H < S+ 0 0 29 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.897 115.6 40.1 -61.8 -41.2 32.8 11.3 11.2 105 105 A Q H < S+ 0 0 56 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.928 131.9 18.9 -74.7 -48.0 34.1 14.2 9.1 106 106 A M H X S- 0 0 55 -4,-2.8 4,-0.5 -5,-0.2 -3,-0.2 0.473 101.6-114.0-110.5 0.1 30.9 15.8 8.0 107 107 A G H X - 0 0 34 -4,-2.3 4,-1.9 -5,-0.3 5,-0.2 0.122 35.8 -79.9 82.9 154.6 28.1 14.7 10.3 108 108 A E H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.873 127.0 52.7 -61.5 -41.7 25.1 12.6 9.6 109 109 A T H > S+ 0 0 120 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.920 107.7 53.2 -61.7 -42.7 23.1 15.3 8.0 110 110 A G H >< S+ 0 0 31 -4,-0.5 3,-0.6 1,-0.2 -2,-0.2 0.943 114.0 39.4 -58.8 -51.0 25.9 16.2 5.7 111 111 A V H >< S+ 0 0 0 -4,-1.9 3,-2.6 1,-0.2 -1,-0.2 0.884 107.0 63.3 -68.8 -37.1 26.3 12.6 4.3 112 112 A A H 3< S+ 0 0 9 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.787 95.3 65.5 -58.2 -23.1 22.6 12.0 4.3 113 113 A G T << S+ 0 0 55 -4,-1.0 2,-1.7 -3,-0.6 -1,-0.3 0.603 74.9 86.4 -75.9 -10.4 22.5 14.8 1.7 114 114 A F <> + 0 0 40 -3,-2.6 4,-2.5 1,-0.2 5,-0.3 -0.328 56.2 160.4 -87.8 59.1 24.5 12.8 -0.9 115 115 A T H > + 0 0 89 -2,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.871 66.1 44.9 -46.8 -53.1 21.3 11.3 -2.1 116 116 A N H > S+ 0 0 76 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.899 113.6 48.9 -64.5 -41.8 22.5 10.2 -5.5 117 117 A S H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.880 109.7 53.2 -65.1 -39.0 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 13 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.910 108.7 49.3 -62.9 -42.9 24.0 6.8 -1.5 119 119 A R H X S+ 0 0 118 -4,-2.0 4,-2.0 -5,-0.3 -1,-0.2 0.921 112.4 48.6 -64.5 -39.5 21.6 5.2 -4.0 120 120 A M H <>S+ 0 0 28 -4,-2.0 5,-2.2 2,-0.2 4,-0.2 0.928 110.6 49.5 -67.6 -41.8 24.5 4.3 -6.2 121 121 A L H ><5S+ 0 0 1 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.929 109.1 53.5 -62.9 -39.8 26.4 2.7 -3.3 122 122 A Q H 3<5S+ 0 0 80 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.907 108.8 48.5 -61.1 -35.8 23.3 0.8 -2.4 123 123 A Q T 3<5S- 0 0 87 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.375 112.8-120.6 -83.0 3.4 23.1 -0.6 -5.9 124 124 A K T < 5 + 0 0 100 -3,-1.9 2,-1.4 -4,-0.2 -3,-0.2 0.775 61.8 148.5 61.1 32.9 26.8 -1.5 -5.8 125 125 A R >< + 0 0 108 -5,-2.2 4,-2.2 1,-0.2 -1,-0.2 -0.704 21.0 175.7 -96.4 81.2 27.5 0.7 -8.8 126 126 A W H > + 0 0 51 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.910 68.8 43.2 -58.0 -54.1 31.0 1.4 -7.7 127 127 A D H > S+ 0 0 109 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.906 114.1 53.1 -63.8 -35.7 32.5 3.4 -10.4 128 128 A E H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 109.0 48.2 -65.5 -43.3 29.4 5.5 -10.8 129 129 A A H X S+ 0 0 1 -4,-2.2 4,-3.4 1,-0.2 5,-0.2 0.899 107.7 55.9 -62.5 -40.0 29.3 6.4 -7.1 130 130 A A H X S+ 0 0 11 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.908 108.2 48.0 -61.5 -40.0 33.0 7.4 -7.1 131 131 A V H X S+ 0 0 89 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.955 114.2 46.5 -65.5 -45.9 32.3 9.8 -9.9 132 132 A N H >< S+ 0 0 43 -4,-2.2 3,-1.1 1,-0.2 -2,-0.2 0.905 108.3 54.9 -62.9 -41.8 29.3 11.3 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-3.4 6,-0.4 1,-0.3 -1,-0.2 0.874 101.8 59.9 -60.0 -34.7 31.1 11.5 -4.8 134 134 A A H 3< S+ 0 0 27 -4,-1.5 2,-1.9 -5,-0.2 -1,-0.3 0.709 85.5 79.4 -69.5 -19.2 33.8 13.6 -6.5 135 135 A K S << S+ 0 0 165 -3,-1.1 2,-0.3 -4,-0.7 -1,-0.2 -0.521 81.0 96.3 -86.2 70.2 31.4 16.3 -7.6 136 136 A S S > S- 0 0 18 -2,-1.9 4,-2.0 1,-0.1 5,-0.2 -0.999 85.1-116.6-155.3 157.4 31.2 17.9 -4.2 137 137 A R H > S+ 0 0 145 -2,-0.3 4,-3.5 1,-0.2 5,-0.3 0.912 114.6 63.7 -61.3 -39.2 32.6 20.7 -2.1 138 138 A W H > S+ 0 0 18 1,-0.2 4,-2.3 2,-0.2 8,-0.2 0.927 106.1 42.6 -49.1 -50.2 34.0 17.9 0.1 139 139 A Y H 4 S+ 0 0 60 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.910 115.9 48.5 -65.1 -43.1 36.3 16.6 -2.7 140 140 A N H < S+ 0 0 108 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.877 116.3 42.5 -67.3 -37.3 37.3 20.1 -3.8 141 141 A Q H < S+ 0 0 107 -4,-3.5 -2,-0.2 1,-0.2 -1,-0.2 0.896 131.6 19.1 -79.1 -39.5 38.2 21.2 -0.3 142 142 A T S X S+ 0 0 19 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 -0.573 74.6 163.1-130.9 71.8 40.0 18.1 1.1 143 143 A P H > + 0 0 47 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.845 68.6 50.9 -60.5 -44.8 40.9 16.3 -2.1 144 144 A N H > S+ 0 0 110 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.930 115.7 42.3 -65.2 -41.9 43.6 13.9 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.934 114.8 50.3 -67.5 -45.7 41.4 12.6 2.0 146 146 A A H X S+ 0 0 0 -4,-2.6 4,-2.9 -8,-0.2 5,-0.2 0.918 108.4 53.4 -58.8 -42.0 38.3 12.5 -0.2 147 147 A K H X S+ 0 0 94 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.880 107.9 51.6 -59.8 -38.2 40.4 10.5 -2.8 148 148 A R H X S+ 0 0 68 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.939 114.0 42.0 -63.7 -44.8 41.3 8.0 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.908 114.3 52.5 -67.1 -43.2 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.9 4,-2.7 -5,-0.2 -2,-0.2 0.921 108.3 49.7 -58.9 -47.0 36.5 7.4 -2.6 151 151 A T H X S+ 0 0 39 -4,-2.4 4,-2.7 -5,-0.2 5,-0.4 0.853 107.3 56.4 -60.8 -35.7 39.0 4.7 -3.6 152 152 A T H X S+ 0 0 0 -4,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.927 110.4 43.3 -65.0 -43.1 37.9 2.7 -0.6 153 153 A F H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.896 115.2 51.1 -67.3 -37.7 34.3 2.7 -1.9 154 154 A R H < S+ 0 0 107 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.949 124.7 22.6 -65.2 -46.9 35.4 2.0 -5.4 155 155 A T H < S- 0 0 45 -4,-2.7 -2,-0.2 2,-0.2 -3,-0.2 0.687 86.1-135.1 -96.1 -24.8 37.7 -1.0 -4.7 156 156 A G S < S+ 0 0 16 -4,-2.2 2,-0.3 -5,-0.4 -62,-0.2 0.738 73.2 101.4 73.4 19.1 36.4 -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 -0.818 80.2-119.7-126.6 175.0 40.1 -2.7 -0.3 158 158 A W S >> S+ 0 0 42 -2,-0.3 3,-2.8 1,-0.2 4,-0.7 0.223 71.4 122.0 -98.0 13.0 42.4 -0.7 2.0 159 159 A D G >4 + 0 0 93 1,-0.3 3,-0.8 2,-0.2 -1,-0.2 0.789 67.0 58.4 -47.0 -35.8 44.9 -0.0 -0.7 160 160 A A G 34 S+ 0 0 34 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.632 109.5 44.7 -73.5 -12.5 44.6 3.7 -0.4 161 161 A Y G <4 0 0 19 -3,-2.8 -1,-0.3 -13,-0.1 -2,-0.2 0.433 360.0 360.0-109.5 -2.8 45.7 3.5 3.2 162 162 A K << 0 0 169 -3,-0.8 -2,-0.2 -4,-0.7 -3,-0.1 0.860 360.0 360.0 -98.3 360.0 48.5 1.1 2.7