==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 21-MAR-05 1Z67 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN S4005; . SOURCE 2 ORGANISM_SCIENTIFIC: SHIGELLA FLEXNERI 2A; . AUTHOR J.OSIPIUK,N.MALTSEVA,I.DEMENTIEVA,S.CLANCY,F.COLLART,A.JOACH . 127 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8008.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 68.5 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 . 0 0.0 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 . 0 0.0 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 . 1 0.8 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 57.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.4 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 0 0 0 2 0 2 2 0 1 0 0 0 0 1 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A L > 0 0 178 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -33.1 24.3 -16.1 2.8 2 4 A F H > + 0 0 157 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.958 360.0 42.6 -61.9 -52.0 24.2 -15.6 -1.0 3 5 A D H > S+ 0 0 134 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.883 113.4 55.0 -65.2 -32.6 20.5 -14.8 -1.2 4 6 A E H > S+ 0 0 143 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.930 112.2 42.2 -60.4 -47.9 20.9 -12.5 1.9 5 7 A V H X S+ 0 0 98 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.931 115.1 49.4 -68.9 -45.0 23.6 -10.5 0.3 6 8 A V H X S+ 0 0 51 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.934 110.9 50.9 -63.0 -44.9 21.9 -10.3 -3.1 7 9 A G H X S+ 0 0 39 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.931 110.9 47.6 -56.3 -44.9 18.7 -9.2 -1.4 8 10 A A H X S+ 0 0 67 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.894 111.7 50.9 -65.2 -39.6 20.4 -6.4 0.5 9 11 A F H < S+ 0 0 168 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.925 114.9 42.6 -60.6 -49.2 22.2 -5.2 -2.6 10 12 A L H < S+ 0 0 130 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.826 113.5 51.7 -68.5 -33.5 19.0 -5.1 -4.6 11 13 A K H >< S+ 0 0 136 -4,-2.4 3,-2.1 -5,-0.2 -1,-0.2 0.798 76.0 172.7 -74.6 -32.7 16.9 -3.5 -1.8 12 14 A G T 3< S- 0 0 58 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 -0.298 71.8 -25.8 54.6-133.1 19.2 -0.6 -1.0 13 15 A D T > S+ 0 0 108 2,-0.0 3,-1.7 3,-0.0 -1,-0.2 0.218 94.0 143.1-100.2 20.5 17.5 1.8 1.5 14 16 A A T < + 0 0 55 -3,-2.1 -3,-0.0 1,-0.3 -2,-0.0 -0.270 68.4 22.0 -56.2 138.2 14.0 0.8 0.5 15 17 A G T 3> S+ 0 0 46 3,-0.0 4,-2.2 1,-0.0 -1,-0.3 0.503 79.0 131.4 81.6 4.6 11.6 0.7 3.4 16 18 A K H <> S+ 0 0 32 -3,-1.7 4,-2.3 1,-0.2 5,-0.1 0.856 72.5 51.3 -55.1 -38.8 13.7 3.0 5.6 17 19 A Y H > S+ 0 0 120 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.928 109.0 47.6 -70.2 -44.6 10.7 5.2 6.5 18 20 A Q H > S+ 0 0 118 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 113.6 51.1 -58.2 -40.1 8.5 2.3 7.6 19 21 A A H X S+ 0 0 13 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.926 110.7 46.2 -64.2 -44.9 11.4 1.0 9.6 20 22 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.942 113.4 50.2 -64.9 -43.6 11.9 4.3 11.3 21 23 A L H X S+ 0 0 48 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.922 113.1 44.7 -60.0 -48.3 8.2 4.7 12.0 22 24 A S H X S+ 0 0 38 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.911 113.1 52.4 -61.9 -44.5 7.8 1.2 13.6 23 25 A W H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 6,-0.2 0.902 104.5 55.7 -61.2 -42.1 11.0 1.8 15.6 24 26 A V H <>S+ 0 0 1 -4,-2.7 5,-2.5 1,-0.2 -1,-0.2 0.935 111.3 44.0 -57.1 -46.4 9.7 5.1 17.0 25 27 A E H ><5S+ 0 0 62 -4,-1.8 3,-1.7 1,-0.2 -1,-0.2 0.911 111.1 53.6 -66.8 -38.5 6.6 3.4 18.3 26 28 A E H 3<5S+ 0 0 121 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.807 103.6 57.0 -66.6 -30.5 8.6 0.4 19.7 27 29 A Q T 3<5S- 0 0 38 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.484 133.9 -91.6 -76.7 -6.3 10.9 2.8 21.6 28 30 A G T < 5S- 0 0 47 -3,-1.7 -3,-0.2 -4,-0.2 -2,-0.2 0.435 75.8 -62.2 108.7 9.0 7.7 4.1 23.3 29 31 A G >>< - 0 0 2 -5,-2.5 4,-1.3 -6,-0.2 3,-0.9 -0.211 63.8 -65.6 106.5 163.7 6.8 6.9 21.0 30 32 A I H 3> S+ 0 0 0 81,-0.4 4,-2.5 1,-0.3 3,-0.2 0.881 125.6 62.2 -58.4 -34.6 8.2 10.2 19.7 31 33 A Q H 3> S+ 0 0 89 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.847 99.7 53.8 -58.1 -38.2 8.0 11.8 23.2 32 34 A V H <> S+ 0 0 57 -3,-0.9 4,-2.1 2,-0.2 -1,-0.2 0.916 110.7 46.9 -59.2 -43.6 10.5 9.2 24.6 33 35 A L H X S+ 0 0 1 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.920 110.3 52.3 -67.1 -42.7 12.9 10.2 21.9 34 36 A L H X S+ 0 0 10 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.932 109.6 49.7 -57.8 -45.0 12.4 13.9 22.5 35 37 A E H X S+ 0 0 95 -4,-2.5 4,-3.0 1,-0.2 -1,-0.2 0.892 110.1 50.9 -63.7 -38.2 13.1 13.4 26.2 36 38 A K H X S+ 0 0 73 -4,-2.1 4,-1.5 2,-0.2 6,-0.2 0.899 108.3 50.9 -66.7 -39.6 16.3 11.5 25.4 37 39 A L H <>S+ 0 0 0 -4,-2.4 5,-2.5 1,-0.2 6,-0.3 0.938 114.3 45.9 -60.2 -42.0 17.5 14.2 23.1 38 40 A Q H ><5S+ 0 0 97 -4,-2.4 3,-1.1 1,-0.2 5,-0.5 0.907 113.8 45.6 -67.6 -46.0 16.8 16.7 25.9 39 41 A S H 3<5S+ 0 0 87 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.692 109.2 59.7 -68.4 -19.3 18.4 14.7 28.7 40 42 A G T 3<5S- 0 0 41 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.273 121.4-101.4 -97.7 10.3 21.4 14.0 26.4 41 43 A G T < 5S+ 0 0 68 -3,-1.1 3,-0.3 26,-0.1 4,-0.2 0.511 94.7 110.0 88.0 8.9 22.3 17.6 25.9 42 44 A L >< + 0 0 15 -5,-2.5 4,-3.4 -6,-0.2 5,-0.2 0.157 37.0 113.5-101.0 16.5 20.8 18.1 22.4 43 45 A G H > S+ 0 0 30 -5,-0.5 4,-2.2 -6,-0.3 -1,-0.2 0.858 77.1 48.6 -55.7 -40.8 18.0 20.4 23.6 44 46 A A H > S+ 0 0 72 -3,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.952 114.2 45.5 -68.4 -45.4 19.3 23.5 21.8 45 47 A I H >> S+ 0 0 17 1,-0.2 4,-1.1 -4,-0.2 3,-0.9 0.948 113.0 51.2 -59.6 -47.9 19.7 21.5 18.5 46 48 A L H >X S+ 0 0 2 -4,-3.4 4,-2.2 1,-0.2 3,-0.7 0.888 102.4 60.8 -55.4 -40.5 16.3 19.9 19.0 47 49 A S H 3X S+ 0 0 62 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.833 99.9 55.6 -59.1 -28.7 14.8 23.5 19.5 48 50 A T H << S+ 0 0 15 -4,-1.1 -1,-0.2 -3,-0.9 -2,-0.2 0.818 108.1 47.8 -74.6 -29.7 15.9 24.4 16.0 49 51 A W H << S+ 0 0 1 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.893 112.3 49.1 -73.5 -38.4 13.9 21.4 14.5 50 52 A L H < S+ 0 0 30 -4,-2.2 56,-0.2 56,-0.1 -2,-0.2 0.811 91.2 97.7 -69.7 -33.1 10.8 22.3 16.5 51 53 A S < - 0 0 19 -4,-1.6 55,-0.1 -5,-0.2 52,-0.1 -0.265 62.5-153.6 -58.7 141.2 10.9 25.9 15.5 52 54 A N S S+ 0 0 111 53,-0.1 -1,-0.1 1,-0.1 -4,-0.1 0.323 95.7 42.4 -95.4 5.9 8.6 26.9 12.6 53 55 A Q S S+ 0 0 178 -5,-0.1 2,-0.2 2,-0.1 -1,-0.1 0.669 101.4 75.6-114.1 -32.1 10.8 29.8 11.7 54 56 A Q S S- 0 0 103 -6,-0.1 2,-0.2 1,-0.1 3,-0.0 -0.483 77.9-114.9 -89.9 152.3 14.4 28.4 12.0 55 57 A R - 0 0 237 -2,-0.2 2,-0.3 1,-0.1 -4,-0.1 -0.571 46.1 -93.4 -76.1 146.3 16.3 26.0 9.8 56 58 A N - 0 0 61 -2,-0.2 2,-0.2 -7,-0.1 -7,-0.1 -0.486 37.4-130.7 -63.8 122.2 17.2 22.6 11.2 57 59 A Q - 0 0 101 -12,-0.4 -1,-0.1 -2,-0.3 -8,-0.1 -0.513 30.1-107.9 -67.5 137.2 20.6 22.6 12.9 58 60 A S - 0 0 101 -2,-0.2 2,-0.3 38,-0.0 -1,-0.1 -0.275 34.3-169.1 -65.9 152.0 22.8 19.6 11.8 59 61 A V - 0 0 7 33,-0.3 2,-0.2 -14,-0.0 3,-0.0 -0.978 16.2-127.2-138.1 147.2 23.4 16.6 14.2 60 62 A S > - 0 0 32 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.620 20.4-119.6 -92.3 157.5 25.9 13.8 13.8 61 63 A G H > S+ 0 0 3 -2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.906 118.2 54.3 -55.7 -41.5 25.2 10.1 14.0 62 64 A E H > S+ 0 0 131 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.914 106.3 51.5 -60.4 -41.9 27.6 9.9 16.9 63 65 A Q H > S+ 0 0 76 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.921 112.7 46.0 -63.2 -41.8 25.7 12.7 18.7 64 66 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.4 0.893 110.1 51.1 -70.0 -41.7 22.4 10.8 18.3 65 67 A E H X S+ 0 0 54 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.921 111.8 51.2 -59.1 -36.8 23.9 7.5 19.4 66 68 A S H < S+ 0 0 105 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.908 118.3 35.5 -64.0 -45.2 25.2 9.4 22.5 67 69 A A H < S+ 0 0 13 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.882 125.6 37.1 -79.1 -40.5 21.8 10.9 23.3 68 70 A L H < S- 0 0 2 -4,-3.0 4,-0.3 -5,-0.2 -3,-0.2 0.694 112.2-116.7 -86.3 -23.5 19.5 8.1 22.3 69 71 A G X - 0 0 26 -4,-1.7 4,-2.0 -5,-0.4 5,-0.2 0.193 17.0 -95.3 95.2 146.8 21.7 5.3 23.5 70 72 A T H > S+ 0 0 73 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.887 121.4 53.9 -59.1 -42.7 23.5 2.5 21.6 71 73 A N H > S+ 0 0 130 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 108.6 48.9 -61.4 -46.5 20.8 -0.1 22.3 72 74 A A H > S+ 0 0 4 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.922 115.5 43.4 -56.1 -49.1 18.0 2.2 20.9 73 75 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 3,-0.2 0.925 112.0 53.1 -67.4 -40.3 20.0 2.9 17.7 74 76 A S H X S+ 0 0 29 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.851 102.2 61.0 -61.2 -35.2 21.0 -0.8 17.4 75 77 A D H X S+ 0 0 64 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.927 107.9 43.0 -56.6 -45.6 17.3 -1.7 17.6 76 78 A L H X S+ 0 0 0 -4,-1.4 4,-1.8 -3,-0.2 -2,-0.2 0.937 112.6 53.3 -66.3 -43.1 16.7 0.4 14.4 77 79 A G H X>S+ 0 0 0 -4,-2.3 5,-2.0 1,-0.2 4,-1.3 0.927 108.1 51.5 -55.8 -45.1 19.9 -1.1 12.8 78 80 A Q H <5S+ 0 0 130 -4,-3.2 3,-0.4 1,-0.3 -1,-0.2 0.892 105.9 53.4 -63.6 -39.9 18.6 -4.6 13.5 79 81 A K H <5S+ 0 0 93 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.865 116.3 40.0 -59.4 -38.0 15.2 -3.8 12.0 80 82 A L H <5S- 0 0 57 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.558 111.3-118.8 -87.4 -12.0 17.0 -2.7 8.8 81 83 A G T <5S+ 0 0 71 -4,-1.3 -3,-0.2 -3,-0.4 2,-0.2 0.575 76.3 116.5 83.2 9.2 19.7 -5.5 8.9 82 84 A V < - 0 0 59 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 -0.630 69.1 -92.0-108.7 167.8 22.5 -2.9 9.2 83 85 A D > - 0 0 88 -2,-0.2 4,-2.3 -3,-0.1 5,-0.2 -0.264 40.6-104.7 -74.8 163.6 25.1 -1.9 11.8 84 86 A T H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.842 117.5 54.3 -60.8 -36.3 24.6 0.8 14.5 85 87 A S H > S+ 0 0 71 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.928 107.8 48.8 -68.2 -42.3 26.7 3.4 12.8 86 88 A T H > S+ 0 0 67 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.931 112.5 49.8 -62.4 -42.8 24.7 3.2 9.5 87 89 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.901 110.1 50.0 -61.6 -39.7 21.4 3.4 11.6 88 90 A S H X S+ 0 0 3 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.874 110.1 50.4 -67.5 -36.3 22.8 6.5 13.4 89 91 A S H X S+ 0 0 63 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.915 108.8 52.0 -67.7 -39.2 23.7 8.2 10.2 90 92 A L H X S+ 0 0 25 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.934 112.3 46.4 -58.7 -47.5 20.2 7.4 8.8 91 93 A L H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.863 105.6 58.6 -64.7 -35.8 18.7 9.0 11.9 92 94 A A H < S+ 0 0 19 -4,-2.2 -33,-0.3 1,-0.2 -1,-0.2 0.895 115.2 37.6 -64.8 -32.8 21.0 12.0 11.7 93 95 A E H X S+ 0 0 104 -4,-1.8 4,-0.6 -5,-0.1 -2,-0.2 0.917 129.3 29.1 -77.1 -48.2 19.6 12.7 8.2 94 96 A Q H X S+ 0 0 6 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.842 104.3 68.0 -91.6 -35.1 15.9 11.8 8.8 95 97 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.894 100.5 50.5 -57.4 -42.6 15.1 12.5 12.4 96 98 A P H > S+ 0 0 10 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.905 112.6 47.9 -62.3 -37.1 15.4 16.3 12.2 97 99 A K H X S+ 0 0 110 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.897 112.6 49.2 -69.3 -36.7 13.1 16.3 9.1 98 100 A I H X S+ 0 0 28 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.946 113.5 44.7 -65.6 -47.7 10.6 14.0 10.9 99 101 A I H < S+ 0 0 0 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.933 113.9 50.2 -66.0 -42.1 10.6 16.2 14.1 100 102 A D H >< S+ 0 0 65 -4,-2.6 3,-1.6 -5,-0.2 -2,-0.2 0.943 110.7 49.4 -58.7 -48.0 10.3 19.4 12.0 101 103 A A H 3< S+ 0 0 57 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.837 109.0 53.9 -60.9 -33.2 7.4 17.9 10.0 102 104 A L T 3< S+ 0 0 16 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.477 106.7 54.2 -79.0 -3.4 5.6 16.9 13.2 103 105 A S X + 0 0 1 -3,-1.6 3,-2.0 -4,-0.4 -1,-0.2 -0.297 50.0 143.0-133.5 54.6 5.8 20.4 14.7 104 106 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.801 84.4 50.2 -65.0 -25.4 4.2 23.0 12.3 105 107 A Q T 3 S- 0 0 120 2,-0.5 -53,-0.1 -3,-0.2 3,-0.1 0.369 130.1 -97.3 -90.3 4.3 2.9 24.8 15.4 106 108 A G S < S+ 0 0 29 -3,-2.0 2,-0.3 1,-0.2 -3,-0.1 0.452 101.7 62.1 94.6 1.6 6.4 24.7 17.0 107 109 A E 0 0 134 -5,-0.1 -2,-0.5 -7,-0.1 -1,-0.2 -0.960 360.0 360.0-145.3 161.5 5.9 21.7 19.2 108 110 A V 0 0 38 -2,-0.3 -5,-0.2 -5,-0.1 4,-0.1 -0.535 360.0 360.0 -71.7 360.0 5.2 18.0 18.4 109 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 110 113 A Q > 0 0 147 0, 0.0 4,-2.0 0, 0.0 8,-0.4 0.000 360.0 360.0 360.0 128.5 -1.4 13.1 17.9 111 114 A A T 4 + 0 0 8 1,-0.2 -81,-0.4 2,-0.2 7,-0.1 0.831 360.0 48.1 -56.2 -40.7 2.2 12.3 17.2 112 115 A N T 4 S+ 0 0 57 -83,-0.1 3,-0.2 1,-0.1 -1,-0.2 0.826 113.5 44.6 -74.4 -32.4 2.9 10.4 20.5 113 116 A N T 4 S+ 0 0 143 -3,-0.4 2,-0.3 1,-0.3 -2,-0.2 0.921 134.5 0.7 -83.4 -48.3 -0.2 8.2 20.5 114 117 A D X - 0 0 66 -4,-2.0 4,-2.3 1,-0.1 -1,-0.3 -0.814 62.2-168.9-141.1 108.1 -0.2 7.0 16.9 115 118 A L H > S+ 0 0 9 -2,-0.3 4,-3.0 -3,-0.2 5,-0.2 0.905 88.0 51.4 -60.8 -46.6 2.5 8.2 14.7 116 119 A L H > S+ 0 0 113 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.904 111.4 49.7 -59.4 -41.1 1.1 7.0 11.4 117 120 A S H > S+ 0 0 61 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 111.3 47.5 -64.9 -45.1 -2.2 8.7 12.2 118 121 A A H X S+ 0 0 4 -4,-2.3 4,-2.0 -8,-0.4 -2,-0.2 0.912 113.2 50.2 -59.0 -43.8 -0.5 12.0 13.1 119 122 A G H X S+ 0 0 31 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.917 108.8 50.9 -60.8 -44.9 1.5 11.7 9.8 120 123 A X H X S+ 0 0 74 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.920 108.8 51.7 -60.8 -42.2 -1.7 11.0 7.8 121 124 A E H X S+ 0 0 122 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.897 110.9 48.9 -59.5 -41.2 -3.3 14.2 9.4 122 125 A L H X S+ 0 0 59 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.920 111.7 47.8 -66.4 -44.2 -0.3 16.2 8.4 123 126 A L H X S+ 0 0 93 -4,-2.5 4,-1.0 1,-0.2 3,-0.4 0.945 112.9 48.8 -58.7 -49.2 -0.3 14.9 4.8 124 127 A K H X S+ 0 0 126 -4,-2.9 4,-1.0 1,-0.2 3,-0.5 0.867 103.1 62.0 -63.8 -32.4 -4.0 15.6 4.5 125 128 A G H >< S+ 0 0 46 -4,-2.0 3,-0.7 1,-0.2 -1,-0.2 0.919 102.3 51.2 -58.8 -37.3 -3.5 19.1 5.9 126 129 A K H 3< S+ 0 0 193 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.738 111.1 48.2 -70.4 -22.7 -1.3 19.8 2.8 127 130 A L H 3< 0 0 135 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.572 360.0 360.0 -90.7 -12.0 -4.1 18.6 0.6 128 131 A F << 0 0 223 -4,-1.0 -2,-0.2 -3,-0.7 -3,-0.1 0.869 360.0 360.0 -86.9 360.0 -6.7 20.7 2.5