==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (O-GLYCOSYL) 12-NOV-91 1L82 . COMPND 2 MOLECULE: T4 LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR J.H.HURLEY,B.W.MATTHEWS . 162 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8461.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 70.4 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 . 82 50.6 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 3 0 0 2 1 0 0 1 1 1 0 0 0 0 0 0 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 77 0, 0.0 2,-0.3 0, 0.0 157,-0.0 0.000 360.0 360.0 360.0 120.5 43.4 -1.9 8.4 2 2 A N > - 0 0 71 95,-0.0 4,-2.2 1,-0.0 5,-0.1 -0.842 360.0 -96.7-139.6 167.8 40.5 -0.9 10.4 3 3 A I H > S+ 0 0 22 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.864 122.2 54.7 -60.2 -35.6 38.3 2.2 10.7 4 4 A F H > S+ 0 0 81 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.898 112.7 40.0 -63.7 -44.6 40.4 3.5 13.6 5 5 A E H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.861 113.9 56.0 -70.9 -38.8 43.7 3.4 11.7 6 6 A M H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.939 113.1 38.2 -55.8 -57.6 42.0 4.6 8.6 7 7 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.865 110.5 59.2 -65.4 -37.2 40.7 7.8 10.3 8 8 A R H X S+ 0 0 96 -4,-1.8 4,-1.4 -5,-0.2 -1,-0.2 0.890 109.2 48.4 -61.6 -31.2 43.8 8.3 12.4 9 9 A I H < S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.904 114.0 44.3 -72.5 -43.4 45.6 8.5 9.0 10 10 A D H < S+ 0 0 18 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.780 122.9 32.3 -70.8 -33.4 43.1 10.9 7.5 11 11 A E H < S- 0 0 41 -4,-2.6 19,-0.4 1,-0.1 -1,-0.2 0.579 92.6-143.7-103.2 -19.6 42.8 13.3 10.4 12 12 A G < - 0 0 25 -4,-1.4 2,-0.4 -5,-0.3 -1,-0.1 -0.090 22.8 -91.0 73.8 176.6 46.2 13.3 12.1 13 13 A L + 0 0 37 16,-0.1 2,-0.4 -4,-0.1 16,-0.2 -0.998 42.9 174.4-128.0 125.1 46.8 13.6 15.8 14 14 A R E -A 28 0A 142 14,-0.9 14,-1.6 -2,-0.4 4,-0.1 -0.972 18.9-166.0-137.8 118.5 47.2 17.1 17.4 15 15 A L E S+ 0 0 62 -2,-0.4 43,-2.1 12,-0.2 2,-0.4 0.385 74.2 62.5 -78.6 -0.8 47.5 17.6 21.2 16 16 A K E S-C 57 0B 109 41,-0.2 41,-0.2 12,-0.1 10,-0.1 -0.977 99.5 -89.2-134.3 136.1 47.0 21.5 21.0 17 17 A I E + 0 0 22 39,-1.7 2,-0.3 -2,-0.4 10,-0.2 -0.047 58.5 171.0 -38.4 131.1 43.9 23.4 19.7 18 18 A Y E -A 26 0A 29 8,-3.4 8,-2.6 -4,-0.1 2,-0.6 -0.913 33.6 -95.1-142.9 177.2 44.3 24.0 16.1 19 19 A K E -A 25 0A 126 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.795 33.0-133.7-104.3 125.6 42.5 25.2 13.2 20 20 A D > - 0 0 42 4,-3.6 3,-1.1 -2,-0.6 -1,-0.1 0.162 35.4 -95.7 -58.3 169.2 40.7 23.0 10.8 21 21 A T T 3 S+ 0 0 88 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.630 125.2 44.9 -66.2 -10.6 41.0 23.2 7.1 22 22 A E T 3 S- 0 0 75 2,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.385 129.6 -84.8-109.2 -4.2 37.8 25.4 7.0 23 23 A G S < S+ 0 0 35 -3,-1.1 2,-0.2 1,-0.3 -2,-0.1 0.209 83.0 134.6 120.3 -11.0 38.6 27.7 9.9 24 24 A Y - 0 0 66 -5,-0.1 -4,-3.6 1,-0.1 -1,-0.3 -0.472 59.4-110.7 -89.8 150.4 37.4 25.7 12.9 25 25 A Y E +AB 19 34A 32 9,-0.8 8,-2.8 11,-0.4 9,-1.1 -0.422 49.6 162.4 -67.6 128.6 38.7 25.0 16.2 26 26 A T E -AB 18 32A 5 -8,-2.6 -8,-3.4 6,-0.2 2,-0.3 -0.907 15.9-176.8-140.2 167.1 39.7 21.3 16.5 27 27 A I E > + B 0 31A 0 4,-1.4 4,-2.3 -2,-0.3 -12,-0.2 -0.900 49.7 5.9-156.6 176.0 41.8 19.0 18.6 28 28 A G E 4 S-A 14 0A 0 -14,-1.6 2,-1.0 -2,-0.3 -14,-0.9 0.001 121.3 -8.2 45.5-124.2 42.9 15.4 18.9 29 29 A I T 4 S- 0 0 4 34,-0.5 -1,-0.2 -16,-0.2 -17,-0.1 -0.666 126.7 -49.1-106.4 83.3 41.9 13.2 16.1 30 30 A G T 4 S+ 0 0 16 -2,-1.0 2,-0.9 -19,-0.4 -2,-0.2 0.751 85.3 158.0 68.2 25.8 39.6 15.3 14.0 31 31 A H E < -B 27 0A 34 -4,-2.3 -4,-1.4 -20,-0.1 2,-0.2 -0.728 35.7-140.9 -93.2 112.7 37.4 16.4 16.9 32 32 A L E +B 26 0A 71 -2,-0.9 -6,-0.2 -6,-0.2 3,-0.1 -0.411 22.4 177.7 -68.0 120.5 35.5 19.6 16.0 33 33 A L E - 0 0 15 -8,-2.8 2,-0.3 1,-0.4 -7,-0.2 0.913 59.2 -18.6 -87.6 -58.8 35.4 21.8 19.0 34 34 A T E -B 25 0A 27 -9,-1.1 -9,-0.8 2,-0.1 -1,-0.4 -0.979 32.9-151.1-149.6 157.6 33.6 24.9 17.8 35 35 A K S S+ 0 0 133 -2,-0.3 -1,-0.1 -11,-0.2 7,-0.0 0.355 74.1 100.4-107.0 -2.0 32.6 26.7 14.7 36 36 A S S S- 0 0 46 2,-0.1 -11,-0.4 1,-0.1 -2,-0.1 -0.486 80.9-121.9 -81.2 156.4 32.6 30.0 16.5 37 37 A P S S+ 0 0 121 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.315 76.9 108.8 -82.4 12.2 35.6 32.3 16.0 38 38 A S > - 0 0 42 1,-0.2 4,-1.8 2,-0.1 -2,-0.1 -0.763 50.1-166.6 -97.7 118.2 36.5 32.5 19.6 39 39 A L H > S+ 0 0 72 -2,-0.9 4,-2.0 1,-0.2 5,-0.2 0.830 98.5 55.3 -57.5 -29.2 39.5 30.7 20.8 40 40 A N H > S+ 0 0 120 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.919 102.4 51.1 -71.4 -40.4 38.0 31.3 24.1 41 41 A A H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.837 111.6 54.5 -59.0 -28.5 34.8 29.7 23.3 42 42 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.842 105.1 46.1 -81.4 -33.9 37.0 26.8 22.1 43 43 A K H X S+ 0 0 57 -4,-2.0 4,-2.6 2,-0.2 11,-0.3 0.838 112.7 54.0 -75.9 -28.2 39.0 26.3 25.3 44 44 A S H X S+ 0 0 71 -4,-1.9 4,-2.1 -5,-0.2 -2,-0.2 0.959 110.6 45.0 -64.9 -46.1 35.7 26.4 27.1 45 45 A E H X S+ 0 0 63 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.901 116.9 45.5 -58.0 -48.2 34.3 23.7 24.9 46 46 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.884 109.8 55.3 -59.6 -48.4 37.4 21.6 25.2 47 47 A D H X>S+ 0 0 34 -4,-2.6 4,-2.0 1,-0.2 5,-1.0 0.901 112.4 44.4 -45.9 -47.1 37.4 22.2 29.0 48 48 A K H <5S+ 0 0 138 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.815 110.0 52.2 -71.5 -41.2 34.0 20.8 29.0 49 49 A A H <5S+ 0 0 44 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.859 116.1 40.6 -68.3 -36.3 34.6 17.8 26.8 50 50 A I H <5S- 0 0 36 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.801 103.0-126.6 -85.1 -37.1 37.6 16.6 28.8 51 51 A G T <5S+ 0 0 69 -4,-2.0 2,-0.3 1,-0.4 -3,-0.2 0.645 76.5 71.9 97.7 13.9 36.3 17.3 32.3 52 52 A R S - 0 0 68 -2,-0.3 4,-1.5 1,-0.1 -1,-0.1 -0.207 34.7-108.4 -77.0 173.0 47.3 14.2 26.5 60 60 A K H > S+ 0 0 96 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.666 121.7 55.5 -75.9 -31.4 47.3 11.4 23.9 61 61 A D H > S+ 0 0 117 2,-0.2 4,-2.2 3,-0.1 3,-0.2 0.901 107.7 49.6 -64.9 -41.7 45.1 9.3 26.1 62 62 A E H > S+ 0 0 39 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.886 109.5 51.8 -62.6 -41.0 42.6 12.2 26.2 63 63 A A H X S+ 0 0 0 -4,-1.5 4,-1.6 1,-0.2 -34,-0.5 0.829 109.7 47.8 -66.9 -34.0 42.7 12.5 22.5 64 64 A E H X S+ 0 0 73 -4,-1.2 4,-2.7 2,-0.2 5,-0.2 0.856 106.1 58.8 -74.8 -35.3 42.0 8.8 22.1 65 65 A K H X S+ 0 0 137 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.926 109.0 45.1 -58.3 -44.1 39.1 9.0 24.5 66 66 A L H X S+ 0 0 3 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.914 111.9 51.9 -64.0 -45.0 37.5 11.6 22.4 67 67 A F H X S+ 0 0 12 -4,-1.6 4,-2.8 2,-0.2 5,-0.3 0.915 107.5 51.3 -55.7 -52.6 38.2 9.6 19.2 68 68 A N H X S+ 0 0 91 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.885 111.5 50.3 -50.7 -42.9 36.6 6.4 20.7 69 69 A Q H X S+ 0 0 91 -4,-1.8 4,-2.5 -5,-0.2 -1,-0.2 0.883 111.8 46.9 -65.3 -40.1 33.5 8.6 21.6 70 70 A D H X S+ 0 0 35 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.821 110.2 49.6 -75.4 -38.7 33.3 10.0 18.0 71 71 A V H X S+ 0 0 8 -4,-2.8 4,-2.5 2,-0.2 -1,-0.2 0.900 113.0 51.0 -64.7 -38.6 33.7 6.7 16.2 72 72 A D H X S+ 0 0 82 -4,-1.8 4,-2.8 -5,-0.3 5,-0.2 0.982 109.5 47.4 -58.1 -59.5 31.0 5.4 18.5 73 73 A A H X S+ 0 0 46 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.846 111.6 53.8 -49.1 -40.3 28.6 8.3 17.8 74 74 A A H X S+ 0 0 8 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.973 109.7 44.2 -63.5 -52.7 29.2 7.8 14.2 75 75 A V H X S+ 0 0 37 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.963 116.7 48.0 -55.9 -47.9 28.4 4.2 14.1 76 76 A R H X S+ 0 0 111 -4,-2.8 4,-0.8 1,-0.2 -1,-0.2 0.744 109.4 52.5 -63.5 -31.6 25.3 4.8 16.2 77 77 A G H X S+ 0 0 2 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.873 109.6 49.7 -72.0 -38.2 24.1 7.8 14.1 78 78 A I H < S+ 0 0 0 -4,-2.2 7,-0.5 1,-0.2 3,-0.3 0.958 111.8 47.4 -61.8 -51.2 24.3 5.7 11.0 79 79 A L H < S+ 0 0 73 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.687 113.8 47.8 -64.6 -23.5 22.3 2.8 12.5 80 80 A R H < S+ 0 0 166 -4,-0.8 2,-0.3 -5,-0.2 -1,-0.2 0.765 94.2 90.1 -83.3 -37.1 19.7 5.2 13.8 81 81 A N X - 0 0 24 -4,-1.6 4,-2.6 -3,-0.3 3,-0.0 -0.513 64.6-152.3 -72.8 124.8 19.3 7.1 10.6 82 82 A A T 4 S+ 0 0 82 -2,-0.3 -1,-0.1 1,-0.2 -4,-0.0 0.775 96.3 46.8 -72.7 -28.4 16.7 5.8 8.2 83 83 A K T 4 S+ 0 0 117 2,-0.1 4,-0.3 1,-0.1 -1,-0.2 0.780 120.4 38.2 -79.2 -27.8 18.3 7.1 5.1 84 84 A L T >> S+ 0 0 0 -6,-0.2 4,-2.3 -7,-0.2 3,-0.6 0.836 101.8 67.1 -91.1 -42.6 21.8 5.8 6.1 85 85 A K H 3X S+ 0 0 72 -4,-2.6 4,-3.3 -7,-0.5 5,-0.2 0.875 98.9 50.5 -52.8 -46.2 21.1 2.5 7.7 86 86 A P H 3> S+ 0 0 51 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.811 110.8 51.0 -64.5 -30.7 19.9 0.6 4.6 87 87 A V H X4 S+ 0 0 2 -3,-0.6 3,-0.7 -4,-0.3 4,-0.3 0.957 113.7 44.3 -67.2 -51.4 23.0 1.9 2.7 88 88 A Y H >< S+ 0 0 34 -4,-2.3 3,-2.2 1,-0.3 -3,-0.2 0.942 109.3 56.7 -55.6 -49.6 25.3 0.6 5.4 89 89 A D H 3< S+ 0 0 76 -4,-3.3 -1,-0.3 1,-0.3 -2,-0.2 0.738 105.1 52.7 -55.5 -31.1 23.4 -2.7 5.7 90 90 A S T << S+ 0 0 36 -4,-0.8 -1,-0.3 -3,-0.7 2,-0.2 0.485 95.2 89.2 -85.1 -8.5 24.0 -3.4 2.1 91 91 A L S < S- 0 0 7 -3,-2.2 31,-0.0 -4,-0.3 30,-0.0 -0.636 72.3-118.9 -94.8 159.0 27.7 -3.0 2.1 92 92 A D > - 0 0 55 -2,-0.2 4,-1.5 1,-0.1 5,-0.1 -0.119 43.6 -91.7 -76.1 177.9 30.7 -5.2 2.7 93 93 A A H > S+ 0 0 82 2,-0.2 4,-1.2 1,-0.2 5,-0.1 0.798 121.2 47.7 -66.2 -38.5 33.2 -4.6 5.5 94 94 A V H >> S+ 0 0 27 62,-0.2 4,-1.3 2,-0.2 3,-0.7 0.969 114.8 46.6 -67.1 -53.2 35.7 -2.5 3.7 95 95 A R H 3> S+ 0 0 26 1,-0.3 4,-1.5 2,-0.2 -2,-0.2 0.765 108.5 57.1 -60.2 -26.7 33.1 -0.3 2.2 96 96 A R H 3X S+ 0 0 85 -4,-1.5 4,-2.2 1,-0.2 -1,-0.3 0.848 102.6 54.3 -73.1 -35.6 31.3 0.1 5.5 97 97 A A H S+ 0 0 58 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.886 126.4 46.4 -73.5 -40.6 25.0 12.4 9.8 109 109 A T H > S+ 0 0 124 1,-0.2 4,-0.9 2,-0.2 3,-0.2 0.953 107.2 60.7 -60.4 -52.8 23.0 15.2 8.6 110 110 A G H 4 S+ 0 0 35 -4,-0.4 3,-0.3 1,-0.3 -1,-0.2 0.818 114.3 30.7 -41.2 -55.1 25.6 16.2 6.2 111 111 A I H >< S+ 0 0 0 -4,-1.4 3,-2.0 1,-0.2 -1,-0.3 0.676 99.4 76.1 -90.4 -16.7 25.7 13.1 4.2 112 112 A A H 3< S+ 0 0 16 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.737 96.9 58.5 -63.0 -14.4 22.1 12.1 4.6 113 113 A G T 3< S+ 0 0 54 -4,-0.9 2,-1.5 -3,-0.3 -1,-0.3 0.555 77.4 92.1 -81.7 -19.2 22.0 14.9 2.0 114 114 A F <> + 0 0 45 -3,-2.0 4,-2.1 1,-0.2 3,-0.4 -0.279 56.9 160.6 -75.8 45.8 24.4 13.0 -0.5 115 115 A T H > + 0 0 73 -2,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.786 58.0 44.4 -37.0 -63.5 21.2 11.5 -2.0 116 116 A N H > S+ 0 0 85 -3,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.876 114.0 47.4 -63.6 -40.5 22.3 10.4 -5.4 117 117 A S H > S+ 0 0 1 -3,-0.4 4,-3.3 2,-0.2 5,-0.2 0.906 108.4 58.4 -67.9 -34.1 25.6 8.6 -4.3 118 118 A L H X S+ 0 0 14 -4,-2.1 4,-2.2 1,-0.2 -1,-0.2 0.893 109.7 43.0 -57.5 -40.4 23.6 7.0 -1.5 119 119 A R H X S+ 0 0 117 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.823 113.3 52.0 -77.4 -31.8 21.4 5.4 -4.1 120 120 A M H <>S+ 0 0 22 -4,-2.2 5,-2.6 2,-0.2 -2,-0.2 0.906 110.6 48.0 -69.1 -44.3 24.3 4.6 -6.4 121 121 A L H ><5S+ 0 0 2 -4,-3.3 3,-3.6 1,-0.2 -2,-0.2 0.985 110.1 52.4 -57.6 -54.5 26.2 2.8 -3.5 122 122 A Q H 3<5S+ 0 0 94 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.842 109.9 48.9 -50.8 -37.0 23.1 0.9 -2.6 123 123 A Q T 3<5S- 0 0 89 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.254 113.6-121.2 -89.8 12.9 22.7 -0.2 -6.1 124 124 A K T < 5 + 0 0 99 -3,-3.6 2,-0.9 1,-0.2 -3,-0.2 0.839 62.5 146.1 53.8 37.3 26.4 -1.2 -6.2 125 125 A R >< + 0 0 115 -5,-2.6 4,-2.2 1,-0.2 3,-0.2 -0.690 19.6 171.1-100.4 71.1 27.2 1.1 -9.0 126 126 A W H > + 0 0 48 -2,-0.9 4,-1.7 1,-0.2 -1,-0.2 0.870 68.1 48.6 -50.1 -52.8 30.7 1.7 -7.7 127 127 A D H > S+ 0 0 107 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.817 114.0 47.1 -62.4 -37.9 32.2 3.6 -10.5 128 128 A E H > S+ 0 0 100 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.819 109.6 51.9 -75.0 -32.6 29.3 5.9 -10.8 129 129 A A H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.838 107.1 55.3 -68.6 -34.2 29.2 6.6 -7.2 130 130 A A H X S+ 0 0 13 -4,-1.7 4,-1.1 -5,-0.2 -1,-0.2 0.893 108.1 47.1 -66.0 -38.9 32.8 7.5 -7.2 131 131 A V H < S+ 0 0 84 -4,-1.3 4,-0.4 1,-0.2 3,-0.2 0.898 113.4 48.1 -70.0 -39.6 32.3 10.0 -9.9 132 132 A N H >< S+ 0 0 42 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.830 106.7 57.3 -68.0 -33.8 29.4 11.6 -8.2 133 133 A L H 3< S+ 0 0 2 -4,-2.0 6,-0.4 1,-0.2 -1,-0.2 0.831 100.0 58.3 -67.5 -30.2 31.2 11.7 -4.9 134 134 A A T 3< S+ 0 0 26 -4,-1.1 2,-1.2 -3,-0.2 -1,-0.2 0.580 88.5 79.3 -74.5 -13.0 34.0 13.8 -6.3 135 135 A K S < S+ 0 0 153 -3,-0.9 2,-0.3 -4,-0.4 -1,-0.2 -0.566 79.1 97.1 -95.2 65.9 31.5 16.4 -7.4 136 136 A S S > S- 0 0 18 -2,-1.2 4,-2.0 1,-0.1 5,-0.2 -0.981 84.2-116.4-149.3 160.4 31.3 17.9 -4.0 137 137 A R H > S+ 0 0 143 -2,-0.3 4,-2.5 2,-0.2 5,-0.2 0.916 115.2 60.1 -60.1 -43.7 32.6 20.7 -1.9 138 138 A W H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 8,-0.2 0.903 106.2 45.5 -46.9 -54.1 34.1 18.0 0.4 139 139 A Y H 4 S+ 0 0 52 -6,-0.4 -1,-0.2 1,-0.2 7,-0.2 0.933 114.1 48.4 -56.9 -53.4 36.2 16.6 -2.4 140 140 A N H < S+ 0 0 108 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.769 113.3 48.3 -64.0 -26.1 37.3 20.1 -3.6 141 141 A Q H < S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.900 130.6 14.9 -80.2 -46.6 38.2 21.2 -0.1 142 142 A T S X S+ 0 0 29 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 -0.639 71.9 166.9-132.6 75.2 40.3 18.1 0.9 143 143 A P H > S+ 0 0 47 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.753 71.1 53.3 -60.3 -37.0 41.1 16.3 -2.3 144 144 A N H > S+ 0 0 114 2,-0.2 4,-1.2 1,-0.1 5,-0.1 0.906 116.1 38.6 -70.7 -42.1 43.8 13.8 -1.0 145 145 A R H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.920 116.4 51.7 -67.8 -51.4 41.7 12.5 1.9 146 146 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.910 108.1 52.3 -54.7 -44.8 38.5 12.5 -0.2 147 147 A K H X S+ 0 0 87 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.863 109.4 50.4 -57.6 -41.0 40.3 10.5 -3.0 148 148 A R H X S+ 0 0 66 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.952 113.1 44.3 -64.8 -48.3 41.4 7.9 -0.4 149 149 A V H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 -2,-0.2 0.912 114.2 50.3 -62.5 -42.5 37.9 7.5 0.9 150 150 A I H X S+ 0 0 13 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.837 109.1 50.7 -64.6 -37.8 36.3 7.4 -2.6 151 151 A T H X S+ 0 0 34 -4,-2.0 4,-2.7 1,-0.2 5,-0.4 0.857 106.1 56.8 -68.3 -35.7 38.7 4.7 -3.9 152 152 A T H X S+ 0 0 0 -4,-1.7 4,-1.2 1,-0.2 -1,-0.2 0.785 113.5 39.5 -64.6 -29.4 37.9 2.6 -0.8 153 153 A L H < S+ 0 0 4 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.800 115.7 50.4 -86.1 -36.5 34.3 2.7 -1.7 154 154 A R H < S+ 0 0 99 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.890 127.2 24.1 -65.9 -39.6 34.9 2.3 -5.5 155 155 A T H < S- 0 0 45 -4,-2.7 -3,-0.2 2,-0.2 -2,-0.2 0.764 86.9-136.3 -98.4 -40.7 37.2 -0.7 -5.0 156 156 A G S < S+ 0 0 16 -4,-1.2 2,-0.2 -5,-0.4 -62,-0.2 0.607 72.3 104.9 85.0 12.0 36.3 -2.3 -1.6 157 157 A T S S- 0 0 47 -6,-0.4 -1,-0.4 -63,-0.1 3,-0.2 -0.707 76.3-127.4-117.1 171.1 40.0 -2.7 -0.9 158 158 A W > + 0 0 43 -2,-0.2 3,-2.2 1,-0.2 -6,-0.1 0.193 69.6 120.9-107.4 15.7 42.4 -0.8 1.4 159 159 A D G > + 0 0 86 1,-0.3 3,-2.5 3,-0.2 -1,-0.2 0.869 64.6 58.1 -47.3 -57.1 44.9 -0.1 -1.3 160 160 A A G 3 S+ 0 0 37 2,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.642 108.4 47.0 -53.6 -16.3 44.8 3.8 -1.1 161 161 A Y G < 0 0 19 -3,-2.2 -1,-0.3 -13,-0.1 -2,-0.2 0.086 360.0 360.0-111.1 26.3 45.8 3.6 2.5 162 162 A K < 0 0 211 -3,-2.5 -2,-0.4 0, 0.0 -3,-0.2 0.888 360.0 360.0-151.6 360.0 49.4 0.5 1.9