==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 24-FEB-95 1NHB . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.MORTON,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8769.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 117 72.2 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 . 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 85 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 153.3 43.0 -2.3 9.2 2 2 A N > - 0 0 71 1,-0.0 4,-2.7 95,-0.0 3,-0.3 -0.891 360.0 -89.1-144.2 174.9 40.1 -0.8 11.0 3 3 A I H > S+ 0 0 24 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.821 121.2 52.0 -53.0 -41.4 38.0 2.4 11.4 4 4 A F H > S+ 0 0 74 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 112.2 44.5 -66.9 -42.8 40.1 3.7 14.2 5 5 A E H > S+ 0 0 98 -3,-0.3 4,-1.8 2,-0.2 -2,-0.2 0.886 113.6 52.2 -66.4 -40.9 43.4 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 3,-0.2 0.958 113.2 42.0 -60.9 -52.6 41.8 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-3.1 4,-2.7 1,-0.2 5,-0.3 0.835 108.2 59.9 -66.4 -31.3 40.6 7.9 11.0 8 8 A R H X S+ 0 0 100 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.886 108.9 46.1 -63.9 -34.7 43.8 8.3 13.0 9 9 A I H < S+ 0 0 92 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.916 116.1 43.9 -70.5 -44.0 45.5 8.6 9.6 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.837 124.5 32.5 -69.4 -32.6 43.0 11.0 8.1 11 11 A E H < S- 0 0 43 -4,-2.7 19,-0.3 -5,-0.2 -1,-0.2 0.685 89.6-151.5-101.7 -24.5 42.7 13.2 11.2 12 12 A G < - 0 0 26 -4,-1.6 2,-0.4 -5,-0.3 -1,-0.1 -0.211 26.0 -90.1 76.6-176.1 46.1 13.2 12.8 13 13 A L + 0 0 36 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.987 40.9 175.9-140.3 123.9 46.5 13.7 16.6 14 14 A R E -A 28 0A 138 14,-1.8 14,-3.0 -2,-0.4 4,-0.1 -0.995 17.1-165.5-131.8 127.8 46.9 17.1 18.2 15 15 A L E S+ 0 0 64 -2,-0.4 43,-1.9 12,-0.2 2,-0.3 0.421 75.1 61.2 -91.4 -2.5 47.0 17.6 22.0 16 16 A K E S-C 57 0B 93 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.950 101.7 -87.6-124.5 143.0 46.6 21.4 21.9 17 17 A I E + 0 0 17 39,-1.7 2,-0.3 -2,-0.3 10,-0.2 -0.205 58.2 167.4 -46.5 135.0 43.5 23.3 20.5 18 18 A Y E -A 26 0A 27 8,-3.0 8,-3.3 -4,-0.1 2,-0.5 -0.906 37.4-101.8-144.2 171.5 44.0 23.9 16.8 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 13,-0.0 -0.852 34.7-139.8-100.3 136.9 41.9 25.0 13.8 20 20 A D > - 0 0 50 4,-2.6 3,-1.8 -2,-0.5 -1,-0.1 -0.040 42.4 -76.1 -78.1-167.0 40.8 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 0.757 135.4 48.5 -64.8 -24.5 40.7 22.6 7.6 22 22 A E T 3 S- 0 0 77 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.419 124.0-102.8 -94.3 0.5 37.6 24.8 7.8 23 23 A G S < S+ 0 0 38 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.592 75.0 142.1 87.8 16.5 39.2 27.1 10.5 24 24 A Y - 0 0 75 1,-0.1 -4,-2.6 9,-0.0 -1,-0.3 -0.769 59.5-103.1 -99.1 139.7 37.2 25.6 13.4 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-3.0 11,-0.4 9,-1.4 -0.347 54.9 158.8 -59.9 124.4 38.6 24.9 16.9 26 26 A T E -AB 18 32A 3 -8,-3.3 -8,-3.0 6,-0.3 2,-0.3 -0.867 19.3-170.1-140.4 168.4 39.4 21.3 17.2 27 27 A I E > + B 0 31A 0 4,-1.5 4,-2.1 -2,-0.3 2,-0.2 -0.977 51.5 5.4-155.2 164.2 41.5 19.1 19.4 28 28 A G E 4 S-A 14 0A 0 -14,-3.0 -14,-1.8 -2,-0.3 2,-0.9 -0.428 123.3 -5.7 69.6-132.9 42.7 15.5 19.6 29 29 A I T 4 S- 0 0 3 34,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.648 127.4 -54.2-101.7 71.1 41.8 13.2 16.8 30 30 A G T 4 S+ 0 0 15 -2,-0.9 2,-1.0 -19,-0.3 -2,-0.2 0.790 83.2 161.0 68.7 29.9 39.5 15.5 14.8 31 31 A H E < -B 27 0A 32 -4,-2.1 -4,-1.5 1,-0.0 -1,-0.2 -0.699 32.7-143.2 -88.5 107.2 37.2 16.4 17.7 32 32 A L E -B 26 0A 71 -2,-1.0 -6,-0.3 -6,-0.2 3,-0.1 -0.405 19.0-176.7 -67.6 132.3 35.4 19.6 16.7 33 33 A L E - 0 0 16 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.844 58.6 -29.0 -96.2 -45.8 34.9 21.8 19.7 34 34 A T E -B 25 0A 29 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.948 34.7-135.3-170.4 151.7 33.0 24.6 18.3 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.2 7,-0.0 0.392 73.9 112.5 -90.3 -3.3 32.3 26.6 15.1 36 36 A S S S- 0 0 43 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.460 73.0-132.2 -74.7 144.5 32.5 29.8 17.1 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.591 75.9 106.6 -71.9 -6.8 35.4 32.1 16.3 38 38 A S > - 0 0 50 1,-0.2 4,-2.1 -13,-0.0 5,-0.1 -0.649 57.0-159.1 -85.2 120.8 36.1 32.5 20.1 39 39 A L H > S+ 0 0 68 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.810 95.8 53.4 -63.4 -27.6 39.0 30.7 21.6 40 40 A N H > S+ 0 0 113 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.914 104.0 52.4 -76.9 -38.7 37.4 30.9 24.9 41 41 A A H > S+ 0 0 35 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.916 110.8 50.9 -59.5 -37.4 34.3 29.4 23.8 42 42 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.929 109.8 48.1 -66.1 -42.7 36.5 26.6 22.5 43 43 A K H X S+ 0 0 54 -4,-2.2 4,-2.3 2,-0.2 11,-0.3 0.867 111.2 52.2 -66.1 -32.5 38.3 26.2 25.8 44 44 A S H X S+ 0 0 70 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.938 109.7 47.1 -67.9 -47.3 35.1 26.2 27.7 45 45 A E H X S+ 0 0 68 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.898 110.9 54.4 -60.9 -41.9 33.7 23.4 25.5 46 46 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 5,-0.3 0.933 108.4 46.8 -60.6 -45.3 37.0 21.6 25.9 47 47 A D H X>S+ 0 0 35 -4,-2.3 4,-2.2 1,-0.2 5,-1.0 0.907 110.9 52.5 -65.6 -37.9 36.8 21.7 29.7 48 48 A K H <5S+ 0 0 142 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.879 111.3 47.7 -62.7 -36.5 33.2 20.6 29.6 49 49 A A H <5S+ 0 0 45 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.888 119.0 37.1 -74.1 -36.8 34.1 17.6 27.4 50 50 A I H <5S- 0 0 35 -4,-2.1 -2,-0.2 2,-0.3 -1,-0.2 0.700 102.3-125.7 -86.0 -29.9 37.1 16.4 29.5 51 51 A G T <5S+ 0 0 67 -4,-2.2 2,-0.3 -5,-0.3 -3,-0.2 0.783 77.8 71.9 87.2 25.0 35.6 17.1 32.9 52 52 A R S - 0 0 8 -2,-0.9 3,-1.4 -11,-0.3 -1,-0.2 0.658 30.8-143.5 -90.7 -24.1 42.4 21.8 30.8 55 55 A N T 3 S- 0 0 117 1,-0.2 3,-0.1 -12,-0.1 -2,-0.1 0.808 72.6 -55.9 62.2 28.8 43.7 25.2 29.8 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.7 1,-0.2 2,-0.4 0.475 119.1 96.4 86.4 1.8 43.6 24.1 26.1 57 57 A V B < +C 16 0B 69 -3,-1.4 2,-0.3 -41,-0.2 -41,-0.2 -0.971 45.8 178.6-129.6 141.5 45.8 21.0 26.5 58 58 A I - 0 0 5 -43,-1.9 2,-0.2 -2,-0.4 -30,-0.1 -0.856 27.0-109.7-133.0 166.7 44.9 17.3 26.9 59 59 A T > - 0 0 64 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.527 33.0-106.4 -93.8 169.1 46.7 14.1 27.3 60 60 A K H > S+ 0 0 110 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.856 121.3 53.0 -59.1 -40.2 46.9 11.3 24.8 61 61 A D H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.907 109.3 48.7 -62.8 -43.5 44.5 9.1 26.9 62 62 A E H > S+ 0 0 39 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.883 110.8 51.6 -63.3 -41.6 42.0 12.0 27.0 63 63 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -34,-0.4 0.930 110.7 47.7 -59.2 -47.5 42.3 12.4 23.2 64 64 A E H X S+ 0 0 70 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.831 107.9 55.6 -66.1 -28.3 41.7 8.7 22.7 65 65 A K H X S+ 0 0 138 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.940 108.2 46.4 -72.1 -40.5 38.8 8.7 24.9 66 66 A L H X S+ 0 0 5 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.910 110.7 56.7 -61.0 -39.3 37.1 11.5 22.9 67 67 A F H X S+ 0 0 12 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.922 105.2 48.5 -58.5 -50.0 38.0 9.6 19.8 68 68 A N H X S+ 0 0 89 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.913 113.1 48.7 -58.2 -42.2 36.2 6.4 21.0 69 69 A Q H X S+ 0 0 99 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.898 111.1 50.1 -64.0 -42.0 33.1 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.886 111.7 46.5 -66.3 -38.7 33.1 10.2 18.5 71 71 A V H X S+ 0 0 6 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.950 112.9 50.8 -67.5 -47.2 33.4 7.0 16.5 72 72 A D H X S+ 0 0 90 -4,-2.3 4,-3.0 -5,-0.3 5,-0.3 0.959 111.6 47.6 -52.2 -50.5 30.7 5.4 18.6 73 73 A A H X S+ 0 0 55 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.903 108.3 54.4 -61.1 -43.1 28.4 8.4 18.0 74 74 A A H X S+ 0 0 10 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.954 112.0 43.7 -57.3 -49.1 29.1 8.5 14.3 75 75 A V H X S+ 0 0 31 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.945 113.5 50.5 -61.7 -47.9 28.0 4.8 13.9 76 76 A R H X S+ 0 0 147 -4,-3.0 4,-1.7 -5,-0.3 -1,-0.2 0.895 108.1 54.1 -57.9 -37.1 25.1 5.3 16.2 77 77 A G H X S+ 0 0 3 -4,-2.6 4,-0.5 -5,-0.3 -1,-0.2 0.890 108.0 49.7 -62.9 -42.1 24.0 8.4 14.1 78 78 A I H >< S+ 0 0 3 -4,-2.1 3,-1.6 1,-0.2 7,-0.4 0.957 109.7 50.8 -61.8 -48.3 24.1 6.3 11.0 79 79 A L H 3< S+ 0 0 61 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.783 110.1 49.7 -62.4 -27.7 22.0 3.6 12.5 80 80 A R H 3< S+ 0 0 178 -4,-1.7 2,-0.7 -5,-0.2 -1,-0.3 0.496 91.2 94.1 -85.1 -11.2 19.4 6.0 13.6 81 81 A N S+ 0 0 8 -6,-0.2 4,-2.5 -3,-0.2 3,-0.3 0.853 101.8 68.8 -87.3 -41.6 21.5 6.2 5.9 85 85 A K H X S+ 0 0 79 -4,-3.1 4,-3.1 -7,-0.4 5,-0.2 0.892 97.0 52.1 -48.8 -49.3 20.9 2.9 7.7 86 86 A P H > S+ 0 0 59 0, 0.0 4,-1.0 0, 0.0 -1,-0.2 0.912 113.7 44.8 -58.3 -40.4 19.6 1.0 4.7 87 87 A V H >> S+ 0 0 9 -4,-0.4 4,-0.8 -3,-0.3 3,-0.6 0.956 112.8 49.9 -67.0 -48.5 22.6 1.9 2.7 88 88 A Y H >< S+ 0 0 28 -4,-2.5 3,-1.2 1,-0.3 -1,-0.2 0.921 109.0 52.2 -56.5 -45.1 25.1 1.2 5.5 89 89 A D H 3< S+ 0 0 73 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.755 104.5 58.1 -66.4 -22.8 23.5 -2.3 6.2 90 90 A S H << S+ 0 0 35 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.645 93.9 89.8 -78.2 -16.7 23.9 -3.1 2.5 91 91 A L S << S- 0 0 8 -3,-1.2 2,-0.1 -4,-0.8 31,-0.0 -0.512 76.7-117.6 -84.2 158.3 27.6 -2.6 2.6 92 92 A D > - 0 0 53 -2,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.254 43.0 -92.8 -78.5 171.8 30.5 -4.9 3.3 93 93 A A H > S+ 0 0 81 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.847 122.0 48.9 -58.3 -42.2 32.8 -4.3 6.3 94 94 A V H > S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 3,-0.5 0.942 112.6 47.4 -65.0 -47.5 35.5 -2.3 4.5 95 95 A R H > S+ 0 0 26 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.836 104.5 61.3 -64.8 -31.6 33.0 0.0 2.8 96 96 A R H X S+ 0 0 81 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.886 100.7 54.3 -60.7 -36.9 31.2 0.6 6.1 97 97 A A H X S+ 0 0 5 -4,-1.2 4,-2.5 -3,-0.5 -1,-0.2 0.915 105.4 53.1 -65.2 -37.1 34.4 2.1 7.4 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.0 1,-0.2 -1,-0.2 0.902 109.0 50.1 -61.7 -38.6 34.4 4.4 4.5 99 99 A A H X S+ 0 0 18 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.895 109.6 49.8 -66.4 -39.1 30.8 5.5 5.4 100 100 A I H X S+ 0 0 10 -4,-2.3 4,-3.2 1,-0.2 5,-0.3 0.925 106.6 56.5 -66.0 -41.9 31.7 6.1 9.0 101 101 A N H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.951 107.1 49.2 -53.7 -48.3 34.7 8.2 8.0 102 102 A M H X S+ 0 0 5 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.914 112.8 45.5 -60.6 -45.1 32.5 10.5 5.9 103 103 A V H X S+ 0 0 10 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.888 111.5 53.0 -67.0 -39.8 29.9 11.0 8.7 104 104 A F H < S+ 0 0 31 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.910 114.3 43.1 -61.6 -40.3 32.7 11.5 11.3 105 105 A Q H < S+ 0 0 51 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.880 133.6 13.4 -71.5 -44.6 34.2 14.2 9.1 106 106 A M H X S- 0 0 54 -4,-2.4 4,-0.7 -5,-0.2 -2,-0.2 0.399 102.0-115.1-122.8 9.2 31.1 16.0 8.0 107 107 A G H X - 0 0 31 -4,-2.4 4,-2.0 -5,-0.2 5,-0.2 0.249 36.2 -75.6 74.3 158.1 28.3 14.9 10.2 108 108 A E H > S+ 0 0 57 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.734 126.8 53.1 -65.1 -26.4 25.1 13.1 9.4 109 109 A T H > S+ 0 0 124 2,-0.2 4,-0.6 3,-0.1 -1,-0.2 0.973 106.8 53.8 -72.7 -49.3 23.3 15.9 7.8 110 110 A G H >< S+ 0 0 32 -4,-0.7 3,-1.9 1,-0.2 -2,-0.2 0.912 114.7 38.5 -41.4 -64.9 26.1 16.5 5.5 111 111 A V H >< S+ 0 0 11 -4,-2.0 3,-2.3 1,-0.3 -1,-0.2 0.828 105.0 65.6 -58.8 -40.6 26.3 13.0 4.2 112 112 A A H 3< S+ 0 0 28 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.675 92.6 68.2 -60.3 -11.8 22.5 12.7 4.2 113 113 A G T << S+ 0 0 62 -3,-1.9 -1,-0.3 -4,-0.6 3,-0.2 0.319 79.2 81.2 -87.3 3.8 22.9 15.4 1.4 114 114 A F <> + 0 0 35 -3,-2.3 4,-2.6 1,-0.2 5,-0.2 -0.390 54.1 152.4-106.0 49.7 24.6 12.8 -1.0 115 115 A T H > + 0 0 87 1,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.859 68.2 46.0 -49.4 -54.6 21.3 11.2 -2.2 116 116 A N H > S+ 0 0 84 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.879 113.1 49.9 -62.6 -38.4 22.4 10.1 -5.6 117 117 A S H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.904 108.5 54.5 -65.6 -40.1 25.6 8.7 -4.3 118 118 A L H X S+ 0 0 23 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.938 108.7 48.1 -56.1 -48.1 23.7 6.8 -1.6 119 119 A R H X S+ 0 0 121 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.921 111.3 50.2 -63.0 -39.1 21.5 5.3 -4.1 120 120 A M H <>S+ 0 0 24 -4,-2.1 5,-2.1 2,-0.2 4,-0.3 0.896 111.4 47.5 -68.1 -40.1 24.4 4.3 -6.3 121 121 A L H ><5S+ 0 0 8 -4,-2.9 3,-1.8 1,-0.2 -1,-0.2 0.935 108.9 54.8 -65.7 -40.6 26.3 2.7 -3.4 122 122 A Q H 3<5S+ 0 0 95 -4,-2.7 -2,-0.2 1,-0.3 -1,-0.2 0.903 109.0 48.1 -57.9 -38.4 23.1 0.8 -2.4 123 123 A Q T 3<5S- 0 0 90 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.487 113.5-122.6 -79.1 -3.0 22.9 -0.6 -6.0 124 124 A K T < 5 + 0 0 94 -3,-1.8 2,-1.4 -4,-0.3 -3,-0.2 0.802 61.5 147.5 64.6 30.6 26.7 -1.6 -5.8 125 125 A R >< + 0 0 114 -5,-2.1 4,-2.8 1,-0.2 5,-0.3 -0.656 21.2 174.0 -94.2 74.6 27.5 0.5 -8.8 126 126 A W H > + 0 0 49 -2,-1.4 4,-2.3 1,-0.2 -1,-0.2 0.871 66.9 45.2 -57.5 -49.9 31.0 1.3 -7.5 127 127 A D H > S+ 0 0 106 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.926 115.7 47.5 -65.1 -40.0 32.6 3.1 -10.3 128 128 A E H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.913 111.4 50.4 -67.3 -38.3 29.7 5.2 -10.9 129 129 A A H X S+ 0 0 1 -4,-2.8 4,-3.3 1,-0.2 5,-0.2 0.920 107.5 55.8 -62.7 -39.1 29.3 6.1 -7.3 130 130 A A H X S+ 0 0 10 -4,-2.3 4,-1.3 -5,-0.3 -1,-0.2 0.894 108.0 47.3 -61.3 -38.1 32.9 7.0 -7.2 131 131 A V H X S+ 0 0 89 -4,-1.9 4,-0.7 2,-0.2 3,-0.2 0.928 113.0 47.9 -69.9 -42.4 32.5 9.5 -9.9 132 132 A N H >< S+ 0 0 40 -4,-2.2 3,-1.2 1,-0.2 -2,-0.2 0.915 107.0 57.0 -65.4 -38.7 29.4 11.0 -8.4 133 133 A L H 3< S+ 0 0 3 -4,-3.3 6,-0.4 1,-0.3 -1,-0.2 0.858 100.8 59.0 -60.5 -34.0 31.1 11.3 -5.0 134 134 A A H 3< S+ 0 0 26 -4,-1.3 2,-1.7 -3,-0.2 -1,-0.3 0.680 85.6 80.1 -69.8 -18.6 33.9 13.3 -6.6 135 135 A K S << S+ 0 0 163 -3,-1.2 2,-0.3 -4,-0.7 -1,-0.2 -0.551 79.9 99.5 -87.0 69.7 31.4 16.0 -7.7 136 136 A S S > S- 0 0 17 -2,-1.7 4,-1.9 1,-0.1 5,-0.2 -0.996 84.9-117.4-154.8 154.0 31.2 17.7 -4.4 137 137 A R H > S+ 0 0 149 -2,-0.3 4,-2.8 1,-0.2 5,-0.3 0.905 114.3 63.2 -58.4 -39.4 32.5 20.5 -2.4 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.7 2,-0.2 8,-0.2 0.933 105.2 43.8 -48.8 -51.0 34.0 17.8 -0.0 139 139 A Y H 4 S+ 0 0 57 -6,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 114.2 49.5 -65.5 -40.0 36.3 16.5 -2.8 140 140 A N H < S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.856 116.2 42.1 -70.3 -32.9 37.3 19.9 -3.9 141 141 A Q H < S+ 0 0 104 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.858 132.0 19.2 -80.8 -41.4 38.2 21.1 -0.4 142 142 A T S X S+ 0 0 23 -4,-2.7 4,-2.5 -5,-0.3 -1,-0.2 -0.597 74.4 163.3-130.7 72.0 40.0 18.0 0.9 143 143 A P H > + 0 0 51 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.841 69.6 51.2 -60.2 -42.4 40.9 16.2 -2.2 144 144 A N H > S+ 0 0 113 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.939 115.9 41.2 -68.5 -39.4 43.6 13.8 -0.8 145 145 A R H > S+ 0 0 21 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.929 115.1 51.8 -68.2 -45.9 41.3 12.5 2.0 146 146 A A H X S+ 0 0 0 -4,-2.5 4,-3.2 -8,-0.2 5,-0.2 0.928 108.2 52.4 -57.6 -44.3 38.3 12.4 -0.3 147 147 A K H X S+ 0 0 98 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.888 108.5 50.3 -59.3 -39.6 40.3 10.3 -2.8 148 148 A R H X S+ 0 0 67 -4,-1.6 4,-1.4 2,-0.2 -1,-0.2 0.934 114.9 42.6 -64.8 -43.1 41.3 7.8 -0.1 149 149 A V H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 5,-0.2 0.915 114.4 51.3 -69.2 -42.9 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-3.2 4,-2.7 -5,-0.2 -1,-0.2 0.886 108.5 50.9 -59.5 -43.1 36.4 7.3 -2.5 151 151 A T H X S+ 0 0 38 -4,-2.5 4,-3.1 -5,-0.2 6,-0.3 0.873 108.0 54.6 -62.3 -35.0 38.9 4.6 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -2,-0.2 0.900 111.0 43.4 -65.8 -44.6 37.8 2.6 -0.5 153 153 A F H < S+ 0 0 5 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.909 115.9 50.3 -69.6 -38.7 34.2 2.7 -1.6 154 154 A R H < S+ 0 0 105 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.915 125.4 23.3 -62.7 -45.8 35.3 1.9 -5.2 155 155 A T H < S- 0 0 41 -4,-3.1 -2,-0.2 2,-0.2 -3,-0.2 0.642 84.3-135.9 -97.7 -21.0 37.4 -1.0 -4.4 156 156 A G S < S+ 0 0 16 -4,-2.5 2,-0.3 -5,-0.3 -62,-0.2 0.743 74.7 100.6 68.3 19.7 36.2 -2.5 -1.1 157 157 A T S S- 0 0 45 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.2 -0.843 81.1-120.0-128.2 171.9 40.0 -2.8 -0.0 158 158 A W S >> S+ 0 0 37 -2,-0.3 3,-2.3 1,-0.2 4,-0.6 0.186 71.5 123.6 -96.7 20.0 42.3 -0.7 2.2 159 159 A D G >4 + 0 0 93 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 0.839 66.2 57.6 -50.2 -35.1 44.7 -0.1 -0.7 160 160 A A G 34 S+ 0 0 34 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.647 108.0 48.8 -70.7 -16.3 44.5 3.7 -0.4 161 161 A Y G <4 0 0 22 -3,-2.3 -1,-0.3 -13,-0.1 -2,-0.2 0.407 360.0 360.0-103.3 -2.0 45.7 3.5 3.2 162 162 A K << 0 0 178 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.879 360.0 360.0 -96.5 360.0 48.6 1.2 2.5