==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 24-SEP-04 1XJT . COMPND 2 MOLECULE: LYSOZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE P1; . AUTHOR A.AROCKIASAMY,J.C.SACCHETTINI . 178 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9611.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 121 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 9 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 78 43.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 2 0 1 0 0 0 2 0 0 1 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 9 A G 0 0 142 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0-178.7 -35.7 54.8 14.0 2 10 A G + 0 0 55 1,-0.1 3,-0.1 36,-0.0 0, 0.0 -0.923 360.0 113.4-149.2 117.3 -33.8 52.5 11.6 3 11 A A + 0 0 37 -2,-0.3 35,-2.4 1,-0.2 36,-0.4 0.264 69.3 79.5-139.3 -29.4 -30.1 52.1 10.7 4 12 A I B S-A 37 0A 111 33,-0.2 33,-0.2 34,-0.1 -1,-0.2 -0.693 72.0-148.5 -83.9 133.3 -29.7 48.5 12.1 5 13 A a - 0 0 10 31,-1.0 2,-0.6 -2,-0.4 31,-0.3 -0.517 21.2 -95.9-101.7 170.6 -31.0 45.8 9.7 6 14 A A > - 0 0 44 -2,-0.2 4,-1.7 1,-0.2 5,-0.1 -0.769 20.2-166.1 -96.4 117.9 -32.5 42.4 10.5 7 15 A I H > S+ 0 0 26 -2,-0.6 4,-3.1 1,-0.2 5,-0.2 0.942 92.4 57.8 -60.3 -48.6 -30.3 39.4 10.5 8 16 A A H > S+ 0 0 68 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.866 107.3 47.9 -51.7 -40.2 -33.3 37.1 10.5 9 17 A V H > S+ 0 0 64 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.886 111.1 50.0 -70.7 -38.5 -34.5 38.7 7.3 10 18 A X H X S+ 0 0 0 -4,-1.7 4,-2.3 2,-0.2 5,-0.2 0.889 108.0 55.0 -65.1 -39.8 -31.1 38.4 5.7 11 19 A I H X S+ 0 0 3 -4,-3.1 4,-2.8 1,-0.2 5,-0.3 0.943 105.2 51.6 -59.0 -46.5 -31.0 34.7 6.7 12 20 A T H X S+ 0 0 92 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.890 111.9 47.3 -61.7 -37.4 -34.4 34.0 4.9 13 21 A I H X S+ 0 0 43 -4,-1.6 4,-1.5 2,-0.2 -1,-0.2 0.938 114.2 44.9 -66.7 -46.7 -33.2 35.6 1.7 14 22 A V H X>S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 5,-0.6 0.943 116.3 45.8 -67.2 -47.9 -29.8 33.8 1.6 15 23 A X H ><5S+ 0 0 89 -4,-2.8 3,-0.6 -5,-0.2 -1,-0.2 0.849 109.0 57.8 -60.1 -35.5 -31.3 30.5 2.5 16 24 A G H 3<5S+ 0 0 63 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.832 95.3 64.4 -64.4 -32.0 -34.0 31.1 -0.1 17 25 A N H 3<5S- 0 0 83 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.769 96.9-138.8 -68.2 -28.5 -31.5 31.5 -2.9 18 26 A G T <<5S+ 0 0 60 -4,-0.8 -3,-0.1 -3,-0.6 -1,-0.1 0.681 72.9 101.7 83.4 19.2 -30.4 27.9 -2.5 19 27 A N < + 0 0 102 -5,-0.6 2,-0.1 2,-0.0 -4,-0.1 0.850 61.1 71.7 -96.6 -47.7 -26.7 28.5 -2.9 20 28 A V - 0 0 20 -6,-0.5 -2,-0.1 1,-0.2 58,-0.1 -0.438 55.4-163.8 -77.6 139.5 -25.3 28.4 0.6 21 29 A R + 0 0 76 -2,-0.1 -1,-0.2 77,-0.1 78,-0.1 0.773 56.7 108.8 -82.1 -33.1 -25.0 25.1 2.5 22 30 A T - 0 0 3 76,-0.1 74,-0.1 1,-0.1 73,-0.1 -0.175 67.8-127.7 -57.7 140.0 -24.5 26.6 5.9 23 31 A N > - 0 0 36 72,-0.3 4,-2.5 73,-0.1 3,-0.3 -0.167 25.8 -89.7 -83.8 174.8 -27.6 26.1 8.0 24 32 A Q H > S+ 0 0 86 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.902 124.7 51.9 -48.2 -51.3 -29.7 28.4 10.0 25 33 A A H > S+ 0 0 40 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.872 111.4 48.4 -57.6 -41.3 -27.7 28.0 13.2 26 34 A G H > S+ 0 0 0 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.893 112.7 46.6 -64.6 -44.4 -24.5 28.8 11.3 27 35 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.917 113.2 50.4 -67.5 -39.3 -26.0 31.9 9.7 28 36 A E H X S+ 0 0 83 -4,-3.1 4,-2.6 -5,-0.2 5,-0.3 0.933 111.3 48.8 -60.6 -43.9 -27.3 33.0 13.1 29 37 A L H X S+ 0 0 25 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.952 116.2 41.6 -63.0 -50.5 -23.9 32.5 14.7 30 38 A I H X S+ 0 0 0 -4,-2.6 4,-1.8 2,-0.2 5,-0.2 0.906 115.9 50.3 -61.3 -43.7 -22.1 34.4 12.0 31 39 A G H X S+ 0 0 0 -4,-3.0 4,-3.4 -5,-0.2 -2,-0.2 0.914 110.9 46.4 -67.0 -46.1 -24.8 37.2 11.8 32 40 A N H < S+ 0 0 116 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.849 109.1 55.8 -66.9 -35.4 -25.0 37.9 15.5 33 41 A A H < S+ 0 0 56 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.954 121.2 29.7 -55.9 -49.6 -21.1 38.0 15.8 34 42 A E H < S- 0 0 47 -4,-1.8 19,-0.2 -5,-0.1 -2,-0.2 0.848 98.3-149.5 -80.2 -38.9 -21.0 40.7 13.1 35 43 A G < - 0 0 15 -4,-3.4 2,-0.4 -5,-0.2 18,-0.1 -0.195 22.5 -89.7 79.1 175.0 -24.3 42.4 13.6 36 44 A a + 0 0 2 -31,-0.3 -31,-1.0 16,-0.1 2,-0.4 -0.991 44.6 170.8-134.0 126.7 -26.2 44.1 10.7 37 45 A R E -AB 4 51A 105 14,-1.2 14,-0.9 -2,-0.4 -33,-0.2 -0.986 28.0-166.0-142.6 123.5 -25.8 47.7 9.6 38 46 A R E S+ 0 0 47 -35,-2.4 26,-1.1 -2,-0.4 -34,-0.1 0.737 82.7 71.0 -77.4 -23.0 -27.0 49.7 6.6 39 47 A D E S- 0 0 72 -36,-0.4 24,-0.1 24,-0.2 10,-0.1 -0.847 92.6-116.9 -98.3 124.3 -24.5 52.5 7.3 40 48 A P E - 0 0 15 0, 0.0 2,-0.3 0, 0.0 21,-0.2 -0.316 37.4-166.0 -55.7 137.3 -20.8 51.8 6.7 41 49 A Y E - B 0 49A 66 8,-1.6 8,-1.8 6,-0.1 2,-0.5 -0.858 18.7-111.0-131.6 165.6 -18.7 51.9 9.9 42 50 A X E - B 0 48A 106 -2,-0.3 6,-0.1 6,-0.2 4,-0.1 -0.825 24.9-171.2-102.8 119.8 -15.0 52.0 10.9 43 51 A C - 0 0 56 -2,-0.5 4,-0.2 4,-0.5 2,-0.0 -0.589 46.4 -72.9-100.2 168.5 -13.2 49.1 12.6 44 52 A P S S+ 0 0 125 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.349 127.7 35.2 -70.6 145.3 -9.6 49.4 14.1 45 53 A A S S- 0 0 105 1,-0.1 2,-0.2 -3,-0.1 -2,-0.1 0.955 120.4-114.7 63.0 63.8 -7.0 49.6 11.4 46 54 A G + 0 0 47 -4,-0.1 2,-0.4 1,-0.0 -1,-0.1 -0.053 61.7 145.3 -57.6 103.7 -9.8 51.5 9.7 47 55 A V - 0 0 95 -4,-0.2 -4,-0.5 -2,-0.2 -6,-0.1 -0.990 53.8-100.7-132.9 129.9 -11.3 50.0 6.6 48 56 A W E -B 42 0A 79 -2,-0.4 2,-0.4 10,-0.1 -6,-0.2 0.003 34.5-155.8 -55.6 144.0 -15.0 50.5 6.0 49 57 A T E -B 41 0A 9 -8,-1.8 -8,-1.6 -10,-0.1 6,-0.2 -0.934 6.8-165.7-124.7 143.4 -17.5 47.8 6.8 50 58 A D E > -C 54 0B 3 4,-4.1 4,-2.3 -2,-0.4 3,-0.4 -0.731 49.7 -27.4-117.7 168.2 -21.0 47.1 5.3 51 59 A G E 4 S-B 37 0A 2 -14,-0.9 -14,-1.2 -2,-0.2 2,-0.8 0.144 126.2 -1.5 37.1-118.1 -24.0 45.0 6.2 52 60 A I T 4 S- 0 0 3 17,-0.4 -1,-0.2 -16,-0.2 -16,-0.1 -0.702 132.9 -48.0-109.5 76.0 -23.0 41.9 8.1 53 61 A G T 4 S+ 0 0 17 -2,-0.8 2,-0.4 -3,-0.4 -2,-0.2 0.768 91.3 154.7 68.0 25.7 -19.2 42.2 8.3 54 62 A N B < +C 50 0B 2 -4,-2.3 -4,-4.1 1,-0.1 -1,-0.2 -0.716 20.7 170.4 -86.3 136.0 -18.8 43.0 4.6 55 63 A T + 0 0 82 -2,-0.4 2,-0.4 -6,-0.2 3,-0.4 0.211 50.6 94.9-124.7 12.2 -15.7 45.0 3.5 56 64 A H S S+ 0 0 97 1,-0.2 -6,-0.0 -6,-0.0 -2,-0.0 -0.888 92.8 7.4-107.7 136.0 -16.0 44.6 -0.3 57 65 A G S S+ 0 0 51 -2,-0.4 2,-0.6 1,-0.2 -1,-0.2 0.861 90.3 158.0 67.4 36.7 -17.7 47.3 -2.5 58 66 A V + 0 0 36 -3,-0.4 -1,-0.2 -10,-0.1 -10,-0.1 -0.825 20.5 179.3-105.7 121.7 -17.9 49.6 0.5 59 67 A T > - 0 0 72 -2,-0.6 3,-2.1 3,-0.3 -10,-0.0 -0.963 33.5-113.5-124.5 117.9 -18.4 53.3 0.1 60 68 A P T 3 S+ 0 0 65 0, 0.0 3,-0.1 0, 0.0 -19,-0.1 -0.082 99.8 15.2 -44.5 136.8 -18.7 55.6 3.1 61 69 A G T 3 S+ 0 0 77 -21,-0.2 2,-0.8 1,-0.2 -22,-0.0 0.451 95.0 122.7 77.2 0.9 -22.1 57.3 3.5 62 70 A V < - 0 0 67 -3,-2.1 2,-0.4 2,-0.0 -3,-0.3 -0.848 51.3-152.9-106.1 108.3 -23.6 54.9 1.0 63 71 A R - 0 0 119 -2,-0.8 2,-0.2 -24,-0.1 -24,-0.2 -0.635 15.0-138.8 -85.8 126.8 -26.6 53.1 2.5 64 72 A K - 0 0 33 -26,-1.1 -1,-0.1 -2,-0.4 5,-0.0 -0.532 14.6-103.6 -95.0 151.0 -27.3 49.7 1.0 65 73 A T > - 0 0 88 -2,-0.2 4,-1.5 1,-0.1 -1,-0.1 -0.116 29.8-118.6 -47.4 157.6 -30.5 47.8 0.0 66 74 A D H > S+ 0 0 53 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.916 119.7 45.2 -65.4 -42.3 -31.8 45.1 2.3 67 75 A Q H > S+ 0 0 137 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.836 109.6 54.3 -71.5 -34.4 -31.3 42.7 -0.7 68 76 A Q H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.866 106.2 52.3 -66.1 -35.0 -27.9 44.1 -1.6 69 77 A I H X S+ 0 0 1 -4,-1.5 4,-1.8 1,-0.2 -17,-0.4 0.853 111.3 47.0 -72.3 -27.7 -26.7 43.4 2.0 70 78 A A H X S+ 0 0 0 -4,-1.3 4,-3.0 2,-0.2 -1,-0.2 0.822 110.3 52.9 -73.8 -37.7 -27.9 39.8 1.6 71 79 A A H X S+ 0 0 40 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.960 111.3 46.4 -58.6 -53.3 -26.2 39.6 -1.7 72 80 A D H X S+ 0 0 11 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.888 113.3 49.0 -54.4 -46.1 -23.0 40.8 -0.1 73 81 A W H X S+ 0 0 1 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.946 109.2 52.4 -65.2 -47.7 -23.4 38.4 2.8 74 82 A E H X S+ 0 0 26 -4,-3.0 4,-2.6 1,-0.2 5,-0.2 0.917 107.8 52.0 -48.9 -51.2 -24.1 35.4 0.5 75 83 A K H X S+ 0 0 109 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.925 111.5 45.5 -58.4 -43.0 -20.9 36.2 -1.5 76 84 A N H X S+ 0 0 35 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.892 111.6 52.8 -69.3 -39.6 -18.8 36.2 1.6 77 85 A I H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.915 107.0 52.0 -58.6 -45.9 -20.4 33.1 2.9 78 86 A L H X S+ 0 0 46 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.854 105.8 54.2 -64.3 -35.3 -19.7 31.2 -0.3 79 87 A I H X S+ 0 0 84 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.935 110.7 46.5 -57.9 -45.7 -16.0 32.2 -0.2 80 88 A A H X S+ 0 0 4 -4,-1.8 4,-1.8 1,-0.2 -2,-0.2 0.909 111.7 51.5 -64.9 -41.9 -15.8 30.7 3.3 81 89 A E H X S+ 0 0 9 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.867 105.9 55.3 -62.0 -39.2 -17.7 27.5 2.1 82 90 A R H X S+ 0 0 120 -4,-2.3 4,-2.9 -5,-0.2 5,-0.3 0.875 105.0 53.8 -59.5 -37.7 -15.2 27.2 -0.7 83 91 A b H X S+ 0 0 9 -4,-1.5 4,-2.6 2,-0.2 5,-0.4 0.955 110.7 44.8 -60.2 -49.5 -12.4 27.2 1.8 84 92 A I H X S+ 0 0 0 -4,-1.8 6,-1.8 2,-0.2 4,-1.7 0.876 117.1 45.3 -65.8 -40.4 -14.0 24.3 3.8 85 93 A N H < S+ 0 0 62 -4,-2.4 4,-0.5 4,-0.2 6,-0.3 0.945 118.5 40.2 -69.4 -48.9 -14.8 22.3 0.7 86 94 A Q H < S+ 0 0 128 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.853 133.0 20.1 -68.1 -33.9 -11.4 22.8 -1.0 87 95 A H H < S+ 0 0 45 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.2 0.547 126.6 38.7-120.7 -8.9 -9.2 22.4 2.1 88 96 A F S < S- 0 0 0 -4,-1.7 -3,-0.1 -5,-0.4 -2,-0.1 0.126 103.4-104.8-132.1 20.9 -11.1 20.6 4.9 89 97 A R >> + 0 0 84 -4,-0.5 3,-1.9 1,-0.1 4,-0.7 0.872 55.0 168.5 55.3 42.8 -13.1 17.9 3.1 90 98 A G G >4 + 0 0 0 -6,-1.8 3,-1.1 1,-0.3 -5,-0.2 0.861 68.6 62.4 -56.0 -34.2 -16.3 20.0 3.6 91 99 A K G 34 S+ 0 0 168 -6,-0.3 -1,-0.3 1,-0.3 -6,-0.1 0.749 105.3 47.0 -66.3 -23.2 -18.3 17.7 1.2 92 100 A D G <4 S+ 0 0 92 -3,-1.9 -1,-0.3 -7,-0.1 -2,-0.2 0.579 97.8 80.1 -94.3 -14.1 -17.7 14.8 3.5 93 101 A X S << S- 0 0 6 -3,-1.1 2,-0.0 -4,-0.7 -4,-0.0 -0.504 85.3 -97.4 -94.5 159.5 -18.7 16.3 6.9 94 102 A P > - 0 0 55 0, 0.0 4,-2.9 0, 0.0 5,-0.2 -0.308 37.8-101.0 -70.9 170.8 -22.1 16.8 8.3 95 103 A D H > S+ 0 0 81 2,-0.2 4,-2.6 1,-0.2 -72,-0.3 0.820 117.3 51.8 -61.0 -42.9 -24.0 20.1 8.0 96 104 A N H > S+ 0 0 41 2,-0.2 4,-2.1 76,-0.2 -1,-0.2 0.953 114.4 42.7 -65.0 -46.8 -23.4 21.3 11.6 97 105 A A H > S+ 0 0 1 73,-0.4 4,-2.8 1,-0.2 5,-0.2 0.934 115.5 50.7 -60.5 -46.1 -19.6 20.8 11.4 98 106 A F H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.902 110.8 48.3 -59.7 -42.7 -19.6 22.3 7.9 99 107 A S H X S+ 0 0 0 -4,-2.6 4,-1.9 -5,-0.2 -1,-0.2 0.875 112.3 48.4 -67.0 -37.2 -21.5 25.4 9.1 100 108 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 112.8 48.0 -68.8 -46.4 -19.2 25.9 12.1 101 109 A X H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.884 109.4 53.2 -56.1 -46.4 -16.1 25.6 10.0 102 110 A T H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.915 107.5 52.2 -55.8 -41.8 -17.6 28.0 7.5 103 111 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.930 109.8 49.0 -63.1 -42.7 -18.2 30.5 10.3 104 112 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 1,-0.2 5,-0.4 0.916 113.1 45.9 -61.6 -44.8 -14.5 30.1 11.3 105 113 A A H X S+ 0 0 5 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.838 109.2 55.9 -68.3 -33.9 -13.3 30.6 7.8 106 114 A F H < S+ 0 0 32 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.891 118.1 35.1 -61.3 -39.7 -15.6 33.6 7.3 107 115 A N H < S+ 0 0 51 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.897 131.5 25.4 -82.4 -45.8 -14.1 35.2 10.4 108 116 A X H < S- 0 0 44 -4,-3.1 4,-0.4 -5,-0.2 -3,-0.2 0.628 103.6-120.2-100.1 -17.1 -10.4 34.2 10.3 109 117 A G X - 0 0 32 -4,-1.6 4,-0.5 -5,-0.4 3,-0.3 0.124 28.2 -87.6 84.0 154.8 -9.9 33.6 6.6 110 118 A b H >> S+ 0 0 31 1,-0.2 3,-1.3 2,-0.2 4,-1.1 0.873 119.8 61.3 -64.9 -41.5 -8.9 30.3 5.0 111 119 A N H >> S+ 0 0 113 1,-0.3 4,-1.8 2,-0.2 3,-0.7 0.884 101.6 53.4 -58.7 -39.9 -5.1 30.8 5.2 112 120 A S H 34 S+ 0 0 54 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.2 0.650 109.0 49.7 -73.2 -17.7 -5.2 31.0 9.1 113 121 A L H << S+ 0 0 0 -3,-1.3 17,-0.3 -4,-0.5 -1,-0.2 0.656 110.9 49.8 -87.4 -17.0 -7.1 27.7 9.3 114 122 A R H << S+ 0 0 88 -4,-1.1 13,-1.9 -3,-0.7 2,-0.3 0.843 121.5 0.4 -92.8 -41.5 -4.7 25.8 7.0 115 123 A T E < -D 126 0C 42 -4,-1.8 2,-0.3 11,-0.3 11,-0.2 -0.938 55.7-158.6-142.1 166.0 -1.3 26.7 8.5 116 124 A Y E -D 125 0C 116 9,-2.0 9,-2.4 -2,-0.3 2,-0.7 -0.974 34.4 -99.3-141.9 157.4 0.3 28.7 11.3 117 125 A Y E -D 124 0C 121 -2,-0.3 2,-0.7 7,-0.2 7,-0.3 -0.695 31.4-152.8 -81.5 114.6 3.8 30.1 11.8 118 126 A S E >> -D 123 0C 10 5,-2.8 4,-2.1 -2,-0.7 5,-1.3 -0.782 9.0-168.9 -85.8 112.3 5.8 27.8 14.0 119 127 A K T 45S+ 0 0 184 -2,-0.7 -1,-0.2 2,-0.2 5,-0.0 0.873 89.8 55.5 -69.8 -30.5 8.4 29.9 15.8 120 128 A A T 45S+ 0 0 100 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.930 117.8 32.3 -63.6 -46.0 10.1 26.6 16.9 121 129 A R T 45S- 0 0 157 2,-0.2 -2,-0.2 4,-0.0 -1,-0.2 0.625 102.9-130.2 -89.0 -14.4 10.4 25.3 13.3 122 130 A G T <5S+ 0 0 43 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.857 76.6 67.6 68.9 36.2 10.9 28.8 11.7 123 131 A X E - 0 0 4 -13,-1.9 4,-1.9 -14,-0.2 5,-0.1 -0.459 13.2-123.1 -75.2 156.3 -2.6 23.1 11.5 128 136 A S H > S+ 0 0 48 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.879 113.0 59.7 -62.9 -36.9 -4.0 20.3 13.7 129 137 A I H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.911 107.7 45.6 -63.5 -38.4 -7.5 21.3 12.6 130 138 A H H > S+ 0 0 31 -17,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.901 110.6 53.8 -67.7 -41.5 -6.6 20.7 9.0 131 139 A K H X S+ 0 0 84 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.935 111.8 43.9 -54.8 -47.7 -4.9 17.4 9.8 132 140 A W H <>S+ 0 0 74 -4,-2.7 5,-2.5 2,-0.2 4,-0.5 0.886 111.8 53.9 -71.9 -38.0 -8.0 16.1 11.6 133 141 A A H ><5S+ 0 0 0 -4,-2.0 3,-1.6 -5,-0.3 -1,-0.2 0.945 107.5 49.8 -56.8 -50.1 -10.3 17.4 8.8 134 142 A Q H 3<5S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.772 109.7 52.8 -61.7 -28.6 -8.3 15.5 6.1 135 143 A K T 3<5S- 0 0 129 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.498 112.9-121.0 -82.0 -5.4 -8.5 12.3 8.3 136 144 A G T < 5 + 0 0 21 -3,-1.6 2,-1.3 -4,-0.5 -3,-0.2 0.740 66.7 142.8 70.2 24.4 -12.3 12.7 8.4 137 145 A E >< + 0 0 93 -5,-2.5 4,-2.2 1,-0.2 -1,-0.2 -0.684 21.9 173.6 -97.5 78.1 -12.1 12.9 12.2 138 146 A W H > S+ 0 0 42 -2,-1.3 4,-2.9 1,-0.2 -1,-0.2 0.820 70.3 52.6 -63.2 -36.8 -14.8 15.5 12.7 139 147 A V H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.963 112.6 45.4 -66.8 -45.0 -15.0 15.4 16.5 140 148 A N H 4 S+ 0 0 59 2,-0.2 4,-0.2 1,-0.2 -2,-0.2 0.883 113.4 51.7 -60.9 -41.6 -11.2 16.0 16.8 141 149 A X H >< S+ 0 0 0 -4,-2.2 3,-2.3 1,-0.2 4,-0.4 0.971 109.8 48.8 -56.4 -56.6 -11.4 18.7 14.1 142 150 A c H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.853 104.0 59.8 -50.8 -44.7 -14.2 20.5 16.0 143 151 A N T 3< S+ 0 0 61 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.480 97.7 61.2 -72.1 -2.6 -12.4 20.4 19.2 144 152 A H T X S+ 0 0 49 -3,-2.3 3,-2.3 -4,-0.2 4,-0.3 0.461 73.7 94.9 -99.1 -1.4 -9.5 22.4 17.6 145 153 A L G X S+ 0 0 0 -3,-1.7 3,-1.8 -4,-0.4 -2,-0.1 0.894 76.6 62.0 -55.0 -43.9 -11.7 25.4 16.9 146 154 A P G 3 S+ 0 0 51 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.553 84.5 78.9 -61.4 -3.5 -10.6 27.0 20.2 147 155 A D G < S+ 0 0 79 -3,-2.3 2,-1.1 1,-0.2 3,-0.2 0.807 83.4 69.0 -66.6 -27.1 -7.0 27.1 18.8 148 156 A F < + 0 0 23 -3,-1.8 -1,-0.2 -4,-0.3 15,-0.1 -0.546 59.4 111.8-102.9 70.7 -7.9 30.2 16.8 149 157 A V + 0 0 15 -2,-1.1 7,-2.8 -3,-0.2 2,-0.3 0.232 47.2 103.8-125.0 11.9 -8.5 33.0 19.3 150 158 A N E -E 155 0D 83 5,-0.3 2,-0.4 -3,-0.2 -3,-0.0 -0.771 41.9-171.2-103.3 144.6 -5.6 35.4 18.6 151 159 A S E > S-E 154 0D 50 3,-3.2 3,-0.6 -2,-0.3 8,-0.0 -0.998 82.2 -10.8-129.4 130.1 -5.6 38.7 16.8 152 160 A N T 3 S- 0 0 168 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.864 135.2 -51.2 47.3 41.0 -2.2 40.4 16.0 153 161 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.2 -3,-0.0 -3,-0.1 0.820 120.1 104.5 70.1 33.5 -0.7 37.8 18.3 154 162 A V E < S-E 151 0D 79 -3,-0.6 -3,-3.2 2,-0.0 -1,-0.2 -0.973 70.1-119.9-146.0 131.4 -3.1 38.4 21.3 155 163 A P E -E 150 0D 66 0, 0.0 2,-0.5 0, 0.0 -5,-0.3 -0.459 26.0-147.7 -71.9 136.2 -6.0 36.2 22.4 156 164 A L > - 0 0 66 -7,-2.8 4,-2.6 -2,-0.2 3,-0.3 -0.909 15.6-143.8-108.9 132.3 -9.4 37.9 22.4 157 165 A R H > S+ 0 0 208 -2,-0.5 4,-2.9 1,-0.2 5,-0.2 0.909 106.8 54.5 -48.2 -45.7 -12.2 37.1 24.9 158 166 A G H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.839 108.1 47.0 -62.4 -36.6 -14.6 37.6 22.0 159 167 A L H > S+ 0 0 23 -3,-0.3 4,-3.0 -10,-0.3 5,-0.2 0.846 110.2 53.2 -76.9 -33.1 -12.8 35.1 19.8 160 168 A K H X S+ 0 0 102 -4,-2.6 4,-2.0 -11,-0.2 -2,-0.2 0.980 112.3 45.3 -58.8 -54.0 -12.7 32.6 22.7 161 169 A I H X S+ 0 0 93 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.927 116.1 46.9 -53.9 -47.2 -16.5 33.0 23.1 162 170 A R H X S+ 0 0 15 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.915 110.1 50.4 -65.2 -46.0 -16.9 32.8 19.3 163 171 A R H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 -1,-0.2 0.842 111.2 51.0 -62.7 -31.2 -14.7 29.7 18.8 164 172 A E H X S+ 0 0 74 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.885 108.1 50.1 -75.1 -38.5 -16.6 28.0 21.6 165 173 A K H X S+ 0 0 126 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.915 113.5 47.8 -62.3 -40.8 -20.0 28.7 20.1 166 174 A E H X S+ 0 0 0 -4,-2.4 4,-3.1 1,-0.2 -2,-0.2 0.927 110.0 51.5 -64.8 -47.3 -18.7 27.3 16.8 167 175 A R H X S+ 0 0 64 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.915 108.7 51.3 -55.9 -42.4 -17.3 24.2 18.5 168 176 A Q H X S+ 0 0 98 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.917 113.8 44.1 -65.7 -38.7 -20.7 23.6 20.2 169 177 A L H >< S+ 0 0 17 -4,-2.0 3,-1.3 2,-0.2 -2,-0.2 0.949 110.6 55.1 -65.6 -50.0 -22.4 23.8 16.8 170 178 A c H 3< S+ 0 0 0 -4,-3.1 -73,-0.4 1,-0.3 -2,-0.2 0.863 112.1 44.0 -49.1 -44.4 -19.8 21.7 15.1 171 179 A L H >X S+ 0 0 12 -4,-2.0 3,-2.6 -5,-0.2 4,-1.2 0.553 81.3 113.4 -87.0 -9.5 -20.3 18.9 17.5 172 180 A T B << S+f 175 0E 66 -3,-1.3 -76,-0.2 -4,-0.7 -75,-0.2 -0.458 89.2 18.2 -72.8 130.4 -24.1 18.8 17.8 173 181 A G T 34 S+ 0 0 51 2,-0.5 -1,-0.3 -2,-0.2 -2,-0.1 0.330 116.4 75.8 91.3 -8.8 -25.2 15.5 16.3 174 182 A L T <4 S+ 0 0 54 -3,-2.6 2,-0.3 1,-0.1 -2,-0.2 0.630 101.2 26.3-104.3 -22.4 -21.6 14.1 16.7 175 183 A V B < S-f 172 0E 68 -4,-1.2 -2,-0.5 -36,-0.0 2,-0.3 -0.800 109.3 -62.5-132.9 168.8 -21.7 13.5 20.4 176 184 A N - 0 0 127 -2,-0.3 -2,-0.1 1,-0.2 -4,-0.0 -0.466 45.0-136.3 -57.8 118.2 -24.4 12.8 23.0 177 185 A E 0 0 153 1,-0.3 -1,-0.2 -2,-0.3 -5,-0.0 0.565 360.0 360.0 -55.9 -11.8 -26.6 15.9 22.9 178 186 A H 0 0 121 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 -0.253 360.0 360.0-130.2 360.0 -26.5 15.6 26.7