==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(O-GLYCOSYL) 10-AUG-92 1LYI . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.A.BELL,W.J.BECKTEL,U.SAUER,W.A.BAASE,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8529.0 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 . 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 . 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 0 1 1 2 0 0 1 1 0 0 0 0 0 0 2 0 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 74 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 150.8 43.5 -1.8 9.0 2 2 A N > - 0 0 69 156,-0.0 4,-2.4 95,-0.0 5,-0.2 -0.902 360.0 -83.4-148.1 177.5 40.3 -0.8 10.8 3 3 A I H > S+ 0 0 25 -2,-0.3 4,-2.5 1,-0.2 5,-0.3 0.842 124.5 50.8 -58.5 -41.2 38.2 2.3 11.2 4 4 A F H > S+ 0 0 79 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.945 112.8 44.1 -64.0 -48.7 40.2 3.7 14.1 5 5 A E H > S+ 0 0 94 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.873 114.6 52.1 -62.6 -36.9 43.5 3.3 12.3 6 6 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.918 112.3 42.8 -66.4 -47.3 42.0 4.8 9.2 7 7 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.4 0.807 109.3 58.5 -70.5 -28.9 40.6 7.8 10.9 8 8 A R H X S+ 0 0 103 -4,-2.0 4,-1.5 -5,-0.3 -1,-0.2 0.869 108.2 47.2 -68.5 -29.6 43.8 8.3 12.8 9 9 A I H < S+ 0 0 84 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.900 116.3 44.7 -74.6 -43.0 45.6 8.5 9.5 10 10 A D H < S+ 0 0 20 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.850 124.9 28.5 -71.9 -33.4 43.1 11.0 8.1 11 11 A E H < S- 0 0 44 -4,-2.4 19,-0.3 1,-0.1 -3,-0.2 0.729 89.8-153.0-102.8 -24.5 42.8 13.3 11.1 12 12 A G < - 0 0 23 -4,-1.5 2,-0.3 -5,-0.4 -1,-0.1 -0.249 24.5 -87.1 78.4-169.7 46.2 13.1 12.8 13 13 A L + 0 0 39 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.966 40.5 175.0-142.6 124.4 46.6 13.7 16.6 14 14 A R E -A 28 0A 138 14,-1.6 14,-2.2 -2,-0.3 4,-0.1 -1.000 19.1-162.1-135.8 130.9 47.2 17.1 18.3 15 15 A L E S+ 0 0 66 -2,-0.4 43,-2.1 12,-0.2 2,-0.3 0.361 76.0 60.8 -92.0 2.6 47.4 17.6 21.9 16 16 A K E S-C 57 0B 94 41,-0.2 41,-0.2 12,-0.1 12,-0.1 -0.927 100.5 -88.3-128.2 146.0 46.8 21.4 21.8 17 17 A I E + 0 0 17 39,-1.2 2,-0.3 -2,-0.3 10,-0.2 -0.282 57.9 169.7 -51.8 138.4 43.7 23.2 20.4 18 18 A Y E -A 26 0A 28 8,-2.7 8,-3.2 -4,-0.1 2,-0.4 -0.898 35.4-102.7-143.4 173.3 44.2 23.9 16.8 19 19 A K E -A 25 0A 124 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.837 33.8-137.0-102.1 137.0 42.2 25.0 13.8 20 20 A D > - 0 0 48 4,-3.1 3,-1.7 -2,-0.4 -1,-0.1 -0.090 39.8 -81.8 -79.3-173.3 40.9 22.5 11.4 21 21 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.773 133.8 47.9 -62.3 -23.6 40.9 22.8 7.6 22 22 A E T 3 S- 0 0 78 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.499 125.1-102.9 -92.7 -5.5 37.7 24.9 7.8 23 23 A G S < S+ 0 0 36 -3,-1.7 2,-0.3 1,-0.3 -2,-0.1 0.476 73.2 142.4 97.9 12.2 39.2 27.0 10.5 24 24 A Y - 0 0 77 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.654 59.9-100.4 -94.1 150.9 37.4 25.6 13.5 25 25 A Y E +AB 19 34A 33 9,-0.7 8,-2.8 11,-0.4 9,-1.4 -0.440 55.3 163.4 -63.2 117.1 38.7 25.0 17.0 26 26 A T E -AB 18 32A 3 -8,-3.2 -8,-2.7 -2,-0.3 2,-0.3 -0.833 18.3-170.3-132.2 163.3 39.6 21.2 17.2 27 27 A I E > - B 0 31A 0 4,-1.3 4,-1.7 -2,-0.3 -12,-0.2 -0.978 52.6 -3.5-151.3 160.8 41.7 19.0 19.5 28 28 A G E 4 S-A 14 0A 1 -14,-2.2 -14,-1.6 -2,-0.3 2,-0.8 -0.350 123.0 -1.4 64.8-126.0 43.0 15.4 19.6 29 29 A I T 4 S- 0 0 5 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.608 127.1 -54.8-102.4 72.3 41.9 13.1 16.7 30 30 A G T 4 S+ 0 0 14 -2,-0.8 2,-1.1 -19,-0.3 -2,-0.2 0.776 84.1 161.6 69.4 22.1 39.6 15.4 14.7 31 31 A H E < -B 27 0A 33 -4,-1.7 -4,-1.3 1,-0.0 -1,-0.2 -0.638 33.5-141.0 -84.2 104.5 37.4 16.2 17.7 32 32 A L E -B 26 0A 67 -2,-1.1 -6,-0.2 -6,-0.2 3,-0.1 -0.280 21.0-178.0 -61.4 126.8 35.5 19.4 16.8 33 33 A L E - 0 0 15 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.918 58.0 -28.3 -92.3 -50.2 35.2 21.7 19.7 34 34 A T E -B 25 0A 30 -9,-1.4 -9,-0.7 2,-0.1 -1,-0.4 -0.964 34.4-137.2-161.5 155.6 33.2 24.6 18.4 35 35 A K S S+ 0 0 137 -2,-0.3 -1,-0.0 -11,-0.1 7,-0.0 0.526 75.4 108.9 -94.0 -6.8 32.4 26.6 15.3 36 36 A S S S- 0 0 42 1,-0.1 -11,-0.4 2,-0.1 -2,-0.1 -0.394 74.3-129.4 -70.1 146.4 32.7 29.8 17.3 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.502 75.9 105.5 -73.9 -1.7 35.7 32.1 16.6 38 38 A S > - 0 0 47 1,-0.2 4,-1.9 2,-0.1 3,-0.1 -0.750 57.1-159.3 -97.3 126.7 36.5 32.4 20.3 39 39 A L H > S+ 0 0 69 -2,-0.6 4,-2.5 1,-0.3 -1,-0.2 0.731 98.1 54.7 -65.7 -21.8 39.3 30.6 21.8 40 40 A N H > S+ 0 0 122 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.908 103.4 49.7 -82.2 -38.9 37.6 31.0 25.0 41 41 A A H > S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.883 113.6 51.8 -61.2 -34.7 34.4 29.4 23.9 42 42 A A H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.887 108.9 48.1 -65.2 -46.5 36.8 26.6 22.6 43 43 A K H X S+ 0 0 46 -4,-2.5 4,-2.1 2,-0.2 11,-0.3 0.874 111.2 51.3 -64.5 -37.2 38.7 26.2 26.0 44 44 A S H X S+ 0 0 72 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.914 110.4 47.6 -63.9 -47.0 35.3 26.1 27.8 45 45 A E H X S+ 0 0 66 -4,-1.9 4,-3.2 1,-0.2 -2,-0.2 0.939 111.5 53.0 -59.8 -47.2 33.9 23.3 25.6 46 46 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.905 109.9 45.6 -54.4 -46.5 37.2 21.5 26.0 47 47 A D H X>S+ 0 0 33 -4,-2.1 4,-1.9 2,-0.2 5,-1.0 0.902 113.3 51.1 -66.9 -36.4 37.0 21.6 29.8 48 48 A K H <5S+ 0 0 139 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.907 111.6 48.1 -59.1 -49.7 33.4 20.6 29.6 49 49 A A H <5S+ 0 0 43 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.872 120.4 35.5 -63.7 -37.5 34.4 17.6 27.3 50 50 A I H <5S- 0 0 36 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.615 98.6-126.3 -93.2 -19.1 37.2 16.4 29.6 51 51 A G T <5S+ 0 0 73 -4,-1.9 2,-0.3 -5,-0.3 -3,-0.2 0.804 79.2 78.9 78.8 18.5 35.8 17.2 33.1 52 52 A R S - 0 0 9 -2,-1.0 3,-1.6 -11,-0.3 -1,-0.2 0.647 32.6-143.0 -95.1 -16.7 42.7 21.9 30.7 55 55 A N T 3 S- 0 0 119 1,-0.3 -2,-0.1 -12,-0.1 3,-0.1 0.876 76.6 -57.8 54.0 36.1 44.1 25.3 29.7 56 56 A G T 3 S+ 0 0 0 -13,-0.2 -39,-1.2 1,-0.1 2,-0.4 0.518 117.4 98.9 74.3 9.0 43.8 24.0 26.1 57 57 A V B < +C 16 0B 64 -3,-1.6 2,-0.3 -41,-0.2 -41,-0.2 -0.972 43.3 177.0-132.0 141.5 46.0 21.0 26.4 58 58 A I - 0 0 5 -43,-2.1 2,-0.2 -2,-0.4 -30,-0.1 -0.811 26.8-112.2-131.3 167.6 45.2 17.3 27.0 59 59 A D > - 0 0 76 -2,-0.3 4,-2.1 1,-0.0 3,-0.4 -0.505 37.9 -99.5 -94.5 168.5 47.2 14.0 27.2 60 60 A K H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.833 122.2 52.8 -53.9 -45.7 47.1 11.1 24.7 61 61 A D H > S+ 0 0 118 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.859 108.7 50.2 -59.7 -42.9 44.7 9.0 26.7 62 62 A E H > S+ 0 0 32 -3,-0.4 4,-2.2 2,-0.2 -2,-0.2 0.900 111.4 50.3 -62.4 -42.6 42.2 12.0 26.9 63 63 A A H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -34,-0.5 0.871 112.2 46.3 -62.3 -41.6 42.6 12.3 23.2 64 64 A E H X S+ 0 0 70 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.842 108.2 55.6 -73.5 -33.8 41.9 8.7 22.7 65 65 A K H X S+ 0 0 135 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.970 109.3 46.2 -64.3 -45.4 39.0 8.7 25.0 66 66 A L H X S+ 0 0 4 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.915 111.8 53.8 -58.5 -43.0 37.3 11.5 23.0 67 67 A F H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.915 105.9 51.2 -57.9 -49.9 38.1 9.5 19.8 68 68 A N H X S+ 0 0 90 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.936 111.8 48.3 -55.3 -46.2 36.4 6.4 21.1 69 69 A Q H X S+ 0 0 95 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.887 111.0 50.4 -61.1 -41.4 33.3 8.4 21.9 70 70 A D H X S+ 0 0 35 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.858 110.6 46.9 -67.7 -35.4 33.2 10.0 18.5 71 71 A V H X S+ 0 0 4 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.964 115.0 48.0 -68.9 -48.2 33.6 6.8 16.5 72 72 A D H X S+ 0 0 87 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.927 112.0 48.6 -54.4 -49.9 30.9 5.2 18.7 73 73 A A H X S+ 0 0 43 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.927 111.1 52.9 -57.7 -44.1 28.6 8.3 18.2 74 74 A A H X S+ 0 0 10 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.942 110.4 44.6 -54.8 -57.0 29.3 8.1 14.4 75 75 A V H X S+ 0 0 34 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.926 116.1 47.8 -53.4 -49.0 28.3 4.5 14.1 76 76 A R H X S+ 0 0 114 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.895 108.7 54.5 -65.2 -37.0 25.1 5.0 16.3 77 77 A G H < S+ 0 0 2 -4,-2.9 4,-0.5 -5,-0.3 3,-0.3 0.928 109.4 47.8 -62.0 -42.6 24.2 8.1 14.3 78 78 A I H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 7,-0.4 0.918 110.8 51.5 -63.2 -43.1 24.3 6.1 11.1 79 79 A L H 3< S+ 0 0 69 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.718 111.9 46.0 -71.7 -16.6 22.2 3.3 12.6 80 80 A R T 3< S+ 0 0 170 -4,-1.4 2,-0.6 -3,-0.3 -1,-0.3 0.379 92.4 97.2 -98.5 -5.8 19.6 5.8 13.8 81 81 A N <> - 0 0 20 -3,-1.0 4,-2.5 -4,-0.5 -4,-0.0 -0.775 64.7-151.4 -93.1 124.0 19.5 7.6 10.5 82 82 A A T 4 S+ 0 0 88 -2,-0.6 -1,-0.1 1,-0.2 -4,-0.0 0.782 97.3 41.7 -64.0 -24.4 16.7 6.5 8.2 83 83 A K T > S+ 0 0 123 2,-0.1 4,-0.6 3,-0.1 -1,-0.2 0.750 119.8 41.5 -91.0 -29.0 18.7 7.4 5.1 84 84 A L H > S+ 0 0 0 -7,-0.2 4,-2.5 2,-0.1 3,-0.4 0.887 100.5 66.5 -87.1 -41.1 22.0 6.1 6.2 85 85 A K H X S+ 0 0 83 -4,-2.5 4,-3.1 -7,-0.4 5,-0.2 0.895 99.5 51.0 -48.6 -46.2 21.1 2.8 7.9 86 86 A P H > S+ 0 0 49 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.899 111.0 50.1 -64.6 -34.7 20.0 1.0 4.7 87 87 A V H X S+ 0 0 2 -4,-0.6 4,-0.7 -3,-0.4 3,-0.3 0.962 112.4 46.0 -66.2 -51.3 23.2 2.0 3.0 88 88 A Y H >< S+ 0 0 33 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.919 110.1 54.5 -53.5 -48.5 25.4 0.8 5.8 89 89 A D H 3< S+ 0 0 76 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.845 107.2 51.9 -57.2 -36.5 23.4 -2.5 6.0 90 90 A S H 3< S+ 0 0 35 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.599 97.3 90.6 -73.4 -18.2 23.9 -3.1 2.4 91 91 A L S << S- 0 0 7 -3,-1.7 31,-0.0 -4,-0.7 30,-0.0 -0.519 73.1-120.0 -87.5 157.7 27.7 -2.6 2.6 92 92 A D > - 0 0 57 -2,-0.2 4,-2.1 1,-0.1 5,-0.1 -0.197 45.1 -91.5 -77.3 175.1 30.6 -5.0 3.2 93 93 A A H > S+ 0 0 82 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.881 122.9 47.1 -59.8 -40.3 33.0 -4.4 6.2 94 94 A V H > S+ 0 0 26 62,-0.2 4,-1.4 2,-0.2 3,-0.3 0.949 112.8 46.9 -65.9 -50.6 35.5 -2.2 4.3 95 95 A R H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.877 105.6 60.8 -61.7 -36.6 33.0 0.1 2.6 96 96 A R H X S+ 0 0 79 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.917 102.3 53.3 -55.4 -41.5 31.2 0.5 6.0 97 97 A A H X S+ 0 0 7 -4,-1.4 4,-2.2 -3,-0.3 -1,-0.2 0.888 105.3 54.2 -60.7 -40.4 34.4 2.0 7.3 98 98 A A H X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.884 110.1 46.0 -60.7 -43.4 34.4 4.5 4.4 99 99 A L H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.891 110.6 52.1 -69.8 -36.7 30.9 5.6 5.3 100 100 A I H X S+ 0 0 7 -4,-2.4 4,-2.4 -5,-0.2 5,-0.2 0.931 107.6 54.7 -64.9 -37.5 31.7 5.9 8.9 101 101 A N H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.952 107.6 47.9 -58.7 -53.1 34.7 8.0 7.9 102 102 A M H X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.2 5,-0.3 0.895 112.2 50.2 -55.9 -42.8 32.5 10.5 6.0 103 103 A V H X S+ 0 0 9 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.869 107.7 52.6 -66.7 -34.2 30.1 10.7 8.9 104 104 A F H < S+ 0 0 30 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.912 117.1 40.0 -66.5 -38.3 32.8 11.4 11.4 105 105 A Q H < S+ 0 0 57 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.818 132.7 17.9 -78.2 -43.8 34.1 14.3 9.2 106 106 A M H X S- 0 0 52 -4,-2.9 4,-0.7 -5,-0.2 -3,-0.2 0.456 102.6-116.4-119.9 6.1 31.0 15.8 8.0 107 107 A G H X - 0 0 33 -4,-1.7 4,-2.1 -5,-0.3 5,-0.2 0.232 34.0 -79.7 73.5 159.7 28.2 14.7 10.3 108 108 A E H > S+ 0 0 50 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.860 126.6 55.2 -59.8 -42.7 25.2 12.6 9.6 109 109 A T H > S+ 0 0 121 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.949 107.8 48.4 -60.1 -49.1 23.2 15.4 8.1 110 110 A G H < S+ 0 0 33 -4,-0.7 3,-0.5 2,-0.2 -2,-0.2 0.932 115.6 42.5 -55.9 -52.9 25.9 16.2 5.6 111 111 A V H >< S+ 0 0 0 -4,-2.1 3,-3.1 1,-0.2 -1,-0.2 0.922 107.1 60.8 -62.7 -42.6 26.4 12.7 4.4 112 112 A A H 3< S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.817 97.2 64.4 -55.4 -26.5 22.6 12.0 4.4 113 113 A G T 3< S+ 0 0 55 -4,-1.4 2,-1.4 -3,-0.5 -1,-0.3 0.577 74.8 88.0 -74.3 -8.8 22.6 14.8 1.9 114 114 A F X> + 0 0 43 -3,-3.1 4,-2.4 1,-0.2 3,-0.5 -0.250 56.3 162.1 -86.5 50.0 24.6 12.9 -0.8 115 115 A T H 3> + 0 0 81 -2,-1.4 4,-1.5 1,-0.2 -1,-0.2 0.784 65.1 42.4 -33.1 -60.3 21.4 11.4 -2.1 116 116 A N H 3> S+ 0 0 86 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 114.6 48.7 -62.8 -43.0 22.5 10.2 -5.4 117 117 A S H <> S+ 0 0 1 -3,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.870 108.9 54.5 -66.6 -40.3 25.8 8.7 -4.3 118 118 A L H X S+ 0 0 15 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.869 109.4 48.1 -60.6 -39.8 24.1 6.9 -1.5 119 119 A R H X S+ 0 0 119 -4,-1.5 4,-1.8 -5,-0.3 -1,-0.2 0.900 111.7 49.9 -70.3 -38.0 21.7 5.3 -4.0 120 120 A M H <>S+ 0 0 26 -4,-2.0 5,-2.0 2,-0.2 4,-0.3 0.901 110.3 49.8 -67.3 -39.1 24.6 4.4 -6.2 121 121 A L H ><5S+ 0 0 2 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.939 108.9 53.0 -62.8 -43.3 26.4 2.8 -3.3 122 122 A Q H 3<5S+ 0 0 90 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.897 109.3 49.1 -59.6 -35.9 23.3 0.8 -2.3 123 123 A Q T 3<5S- 0 0 86 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.478 112.5-121.7 -84.6 -0.6 23.1 -0.5 -5.8 124 124 A K T < 5 + 0 0 99 -3,-2.0 2,-1.2 -4,-0.3 -3,-0.2 0.758 61.0 147.9 64.6 31.5 26.7 -1.5 -5.8 125 125 A R >< + 0 0 113 -5,-2.0 4,-2.3 1,-0.2 -1,-0.2 -0.737 19.7 173.0 -96.2 78.4 27.5 0.7 -8.8 126 126 A W H > + 0 0 50 -2,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.854 69.8 46.9 -57.0 -52.7 31.1 1.4 -7.5 127 127 A D H > S+ 0 0 115 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.937 115.8 46.3 -59.6 -48.7 32.6 3.3 -10.5 128 128 A E H > S+ 0 0 108 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.888 110.8 50.5 -66.2 -39.2 29.5 5.5 -10.8 129 129 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -1,-0.2 0.882 108.7 54.1 -65.3 -34.9 29.3 6.3 -7.2 130 130 A A H X S+ 0 0 11 -4,-1.8 4,-1.0 2,-0.2 -2,-0.2 0.921 109.6 46.6 -65.0 -44.2 33.0 7.2 -7.2 131 131 A V H >X S+ 0 0 90 -4,-2.1 3,-0.7 1,-0.2 4,-0.6 0.950 115.5 46.9 -62.0 -48.1 32.6 9.7 -10.0 132 132 A N H >< S+ 0 0 39 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.883 106.9 56.0 -62.9 -39.8 29.4 11.2 -8.3 133 133 A L H 3< S+ 0 0 2 -4,-2.6 6,-0.3 -5,-0.2 -1,-0.2 0.826 99.2 62.5 -63.7 -29.2 31.0 11.5 -4.9 134 134 A A H << S+ 0 0 26 -4,-1.0 2,-1.7 -3,-0.7 -1,-0.2 0.725 85.1 79.3 -70.4 -21.0 33.9 13.6 -6.6 135 135 A K S << S+ 0 0 155 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.2 -0.529 79.3 97.9 -86.7 72.6 31.3 16.4 -7.6 136 136 A S S > S- 0 0 18 -2,-1.7 4,-2.1 1,-0.1 5,-0.2 -0.990 84.4-117.5-156.6 153.6 31.2 17.9 -4.2 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-3.2 1,-0.2 5,-0.3 0.886 114.2 62.4 -57.3 -42.8 32.6 20.7 -2.1 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.8 2,-0.2 8,-0.2 0.908 105.3 43.5 -45.8 -55.6 34.1 18.0 0.1 139 139 A Y H 4 S+ 0 0 55 -6,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.902 115.4 49.2 -61.7 -45.5 36.2 16.6 -2.6 140 140 A N H < S+ 0 0 108 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.876 116.2 42.7 -66.6 -32.0 37.2 20.1 -3.7 141 141 A Q H < S+ 0 0 103 -4,-3.2 -2,-0.2 1,-0.2 -3,-0.2 0.917 130.7 20.8 -80.4 -44.1 38.1 21.2 -0.2 142 142 A T S X S+ 0 0 22 -4,-2.8 4,-2.9 -5,-0.3 -1,-0.2 -0.541 72.5 165.0-125.2 64.4 40.0 18.1 1.0 143 143 A P H > S+ 0 0 51 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.804 71.5 49.8 -50.1 -41.8 41.0 16.4 -2.2 144 144 A N H > S+ 0 0 112 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.930 116.6 39.5 -67.0 -49.7 43.6 13.9 -0.7 145 145 A R H > S+ 0 0 22 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.905 115.5 53.1 -65.2 -47.7 41.4 12.6 2.1 146 146 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 -8,-0.2 5,-0.2 0.943 108.2 52.1 -54.8 -44.5 38.3 12.5 -0.2 147 147 A K H X S+ 0 0 93 -4,-2.3 4,-1.9 -5,-0.2 -1,-0.2 0.868 107.8 50.6 -59.3 -41.8 40.4 10.4 -2.8 148 148 A R H X S+ 0 0 66 -4,-1.5 4,-1.9 2,-0.2 12,-0.2 0.955 113.9 43.9 -59.2 -51.1 41.4 7.9 -0.2 149 149 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.906 114.7 49.9 -60.1 -44.1 37.7 7.4 1.0 150 150 A I H X S+ 0 0 14 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.841 109.0 51.0 -64.7 -37.7 36.4 7.3 -2.5 151 151 A T H X S+ 0 0 35 -4,-1.9 4,-2.3 -5,-0.2 5,-0.3 0.864 106.8 55.2 -69.2 -35.8 39.0 4.7 -3.5 152 152 A T H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.851 110.1 46.2 -62.1 -38.9 37.9 2.7 -0.5 153 153 A F H < S+ 0 0 1 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.851 114.4 48.0 -69.6 -38.2 34.3 2.8 -1.9 154 154 A R H < S+ 0 0 102 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.931 126.3 24.7 -67.4 -44.9 35.4 1.9 -5.4 155 155 A T H < S- 0 0 43 -4,-2.3 -2,-0.2 2,-0.2 -3,-0.2 0.675 84.9-139.1 -95.0 -32.0 37.6 -1.0 -4.5 156 156 A G S < S+ 0 0 16 -4,-2.0 2,-0.3 -5,-0.3 -62,-0.2 0.750 71.3 100.7 69.0 25.8 36.4 -2.3 -1.3 157 157 A T S S- 0 0 48 -6,-0.3 3,-0.4 -5,-0.2 -1,-0.3 -0.881 80.9-117.3-132.3 169.1 40.0 -2.7 -0.1 158 158 A W S > S+ 0 0 43 -2,-0.3 3,-2.0 1,-0.2 4,-0.2 0.123 71.5 122.8 -93.1 19.0 42.3 -0.7 2.1 159 159 A D G > + 0 0 93 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.828 65.5 59.4 -49.3 -42.8 44.8 0.0 -0.6 160 160 A A G 3 S+ 0 0 36 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.626 108.6 48.3 -63.7 -14.6 44.6 3.8 -0.4 161 161 A Y G < 0 0 19 -3,-2.0 -1,-0.3 -13,-0.1 -2,-0.2 0.364 360.0 360.0-110.7 5.0 45.7 3.5 3.2 162 162 A K < 0 0 173 -3,-2.0 -2,-0.2 -4,-0.2 -3,-0.1 0.815 360.0 360.0-105.6 360.0 48.6 1.2 2.6