==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL PROTEIN 23-MAY-12 4FBS . COMPND 2 MOLECULE: MAJOR AMPULLATE SPIDROIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: EUPROSTHENOPS AUSTRALIS; . AUTHOR G.ASKARIEH,M.HEDHAMMAR,A.RISING,J.JOHANSSON,S.D.KNIGHT . 120 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 77.5 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 . 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 82 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 0 0 0 0 0 0 1 1 0 0 2 0 0 0 1 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 7 A T 0 0 102 0, 0.0 106,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -87.5 -9.8 -2.4 4.5 2 8 A T > - 0 0 52 105,-0.0 3,-1.8 1,-0.0 4,-0.3 -0.986 360.0-130.4-141.7 140.3 -6.7 -2.4 6.7 3 9 A P T 3 S+ 0 0 1 0, 0.0 3,-0.3 0, 0.0 10,-0.2 0.601 105.1 69.3 -66.5 -3.5 -3.4 -0.5 6.0 4 10 A W T 3 S+ 0 0 2 1,-0.2 6,-0.1 5,-0.1 7,-0.0 0.534 75.0 82.0 -88.2 -8.4 -1.7 -3.9 6.8 5 11 A T S < S+ 0 0 98 -3,-1.8 -1,-0.2 1,-0.1 3,-0.1 0.822 93.1 46.0 -70.7 -29.7 -2.9 -5.7 3.7 6 12 A N S > S- 0 0 88 -3,-0.3 4,-2.6 -4,-0.3 5,-0.2 -0.965 77.9-146.4-115.7 121.0 -0.2 -4.2 1.4 7 13 A P H > S+ 0 0 51 0, 0.0 4,-1.4 0, 0.0 40,-0.1 0.798 98.4 52.0 -62.7 -27.7 3.3 -4.4 2.9 8 14 A G H > S+ 0 0 34 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.912 110.6 45.9 -74.4 -43.0 4.3 -1.1 1.2 9 15 A L H > S+ 0 0 40 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.917 106.9 61.6 -62.8 -39.9 1.3 0.8 2.5 10 16 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.919 109.2 40.8 -51.5 -46.0 1.9 -0.7 5.9 11 17 A E H X S+ 0 0 78 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.913 116.1 48.1 -73.0 -42.4 5.3 1.0 6.0 12 18 A N H X S+ 0 0 97 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.927 114.6 47.0 -63.2 -43.8 4.2 4.3 4.5 13 19 A F H X S+ 0 0 0 -4,-3.6 4,-2.6 2,-0.2 -2,-0.2 0.944 112.6 48.1 -62.3 -49.8 1.3 4.5 6.9 14 20 A M H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.4 5,-0.2 0.906 110.7 52.0 -61.3 -38.7 3.3 3.6 10.0 15 21 A N H X S+ 0 0 71 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.918 111.9 45.2 -64.5 -41.2 5.9 6.2 9.1 16 22 A S H X S+ 0 0 15 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.866 111.0 54.9 -68.7 -37.0 3.4 8.9 8.7 17 23 A F H X S+ 0 0 1 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.952 112.3 42.3 -60.0 -49.0 1.7 7.8 11.9 18 24 A M H X S+ 0 0 23 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.906 112.8 53.3 -68.7 -39.1 5.0 8.2 13.8 19 25 A Q H < S+ 0 0 127 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.922 114.3 42.8 -57.0 -45.0 5.9 11.4 12.1 20 26 A G H >< S+ 0 0 22 -4,-2.5 3,-1.5 1,-0.2 4,-0.2 0.896 108.9 57.0 -68.7 -41.9 2.5 12.9 13.1 21 27 A L H >< S+ 0 0 0 -4,-2.6 3,-1.9 1,-0.3 -1,-0.2 0.799 91.4 72.0 -63.7 -27.6 2.5 11.5 16.6 22 28 A S T 3< S+ 0 0 71 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.705 100.4 45.7 -66.0 -16.8 5.8 13.3 17.3 23 29 A S T < S+ 0 0 112 -3,-1.5 -1,-0.3 -4,-0.3 -2,-0.2 0.374 98.7 93.6-101.5 0.3 4.0 16.7 17.4 24 30 A M S X S- 0 0 34 -3,-1.9 3,-0.5 -4,-0.2 2,-0.1 -0.614 75.4-105.7-102.1 159.2 1.1 15.5 19.5 25 31 A P T 3 S+ 0 0 87 0, 0.0 62,-0.2 0, 0.0 -1,-0.1 -0.329 85.7 52.6 -77.9 159.0 0.5 15.6 23.3 26 32 A G T 3 S+ 0 0 11 1,-0.2 2,-0.4 61,-0.1 58,-0.2 -0.106 86.3 84.2 118.5 -34.2 0.6 12.8 25.7 27 33 A F < - 0 0 20 -3,-0.5 -1,-0.2 -6,-0.2 2,-0.1 -0.849 65.9-135.9-109.7 136.0 4.0 11.2 25.1 28 34 A T > - 0 0 73 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.388 38.1-101.2 -73.6 165.1 7.3 12.1 26.5 29 35 A A H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.871 125.1 48.1 -54.7 -40.1 10.3 12.2 24.1 30 36 A S H > S+ 0 0 75 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.849 108.0 54.3 -75.0 -31.3 11.4 8.8 25.4 31 37 A Q H > S+ 0 0 21 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.878 104.7 55.3 -66.5 -35.9 7.9 7.3 25.1 32 38 A L H X S+ 0 0 26 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.885 105.7 51.9 -62.8 -36.9 7.9 8.4 21.4 33 39 A D H X S+ 0 0 110 -4,-1.3 4,-1.7 1,-0.2 -2,-0.2 0.915 109.3 49.6 -66.0 -38.8 11.1 6.4 20.9 34 40 A D H X S+ 0 0 81 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.879 109.2 52.2 -67.0 -36.4 9.5 3.4 22.5 35 41 A M H X S+ 0 0 3 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.897 105.7 55.7 -63.6 -39.0 6.4 3.8 20.2 36 42 A S H X S+ 0 0 34 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.913 106.0 50.1 -61.0 -41.7 8.8 4.0 17.2 37 43 A T H X S+ 0 0 86 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.921 111.7 48.1 -63.0 -43.2 10.3 0.6 18.1 38 44 A I H X S+ 0 0 29 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.900 111.3 51.3 -61.4 -43.3 6.8 -0.9 18.4 39 45 A A H X S+ 0 0 3 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.907 110.5 47.6 -63.6 -42.1 5.8 0.6 15.1 40 46 A Q H X S+ 0 0 107 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.907 109.3 54.3 -65.5 -42.1 8.9 -0.8 13.4 41 47 A S H X S+ 0 0 37 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.929 109.5 47.9 -56.0 -45.8 8.3 -4.3 14.9 42 48 A M H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.934 112.5 47.4 -62.2 -49.2 4.8 -4.3 13.5 43 49 A V H X S+ 0 0 11 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.925 113.2 49.6 -58.9 -42.6 5.8 -3.2 10.0 44 50 A Q H X S+ 0 0 117 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.901 109.1 51.3 -66.4 -39.5 8.6 -5.8 10.0 45 51 A S H X S+ 0 0 27 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.930 112.0 47.4 -62.6 -44.8 6.2 -8.6 11.1 46 52 A I H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.922 113.5 47.9 -59.2 -44.3 3.8 -7.7 8.3 47 53 A Q H X S+ 0 0 62 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.871 110.3 50.7 -69.5 -35.0 6.6 -7.5 5.7 48 54 A S H X S+ 0 0 54 -4,-2.4 4,-1.5 2,-0.2 6,-0.3 0.908 109.7 50.4 -70.3 -40.2 8.1 -10.8 6.8 49 55 A L H <>S+ 0 0 31 -4,-2.1 5,-1.1 1,-0.2 6,-0.7 0.926 114.7 45.1 -60.4 -44.9 4.8 -12.6 6.6 50 56 A A H ><5S+ 0 0 34 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.898 109.1 53.7 -68.2 -40.6 4.2 -11.2 3.1 51 57 A A H 3<5S+ 0 0 89 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.824 109.9 48.6 -64.7 -31.6 7.7 -11.9 1.8 52 58 A Q T 3<5S- 0 0 108 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.417 113.8-117.4 -90.2 0.6 7.4 -15.6 2.8 53 59 A G T < 5S+ 0 0 64 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.316 84.7 116.3 84.5 -4.8 4.0 -15.9 1.1 54 60 A R < + 0 0 143 -5,-1.1 -4,-0.2 -6,-0.3 -5,-0.1 0.295 36.0 124.0 -87.2 6.4 2.5 -16.6 4.5 55 61 A T + 0 0 62 -6,-0.7 3,-0.1 -5,-0.1 -9,-0.0 -0.238 27.4 163.7 -70.8 157.0 0.2 -13.7 5.0 56 62 A S > - 0 0 33 1,-0.1 4,-2.5 0, 0.0 3,-0.5 -0.954 50.4-107.7-160.5 157.8 -3.5 -14.0 5.7 57 63 A P H > S+ 0 0 111 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.894 120.0 52.1 -54.6 -38.5 -6.2 -11.7 7.1 58 64 A N H > S+ 0 0 120 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.795 109.7 47.1 -72.9 -27.0 -6.2 -13.7 10.3 59 65 A K H > S+ 0 0 91 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.900 112.3 51.3 -76.8 -38.0 -2.5 -13.4 10.9 60 66 A L H X S+ 0 0 13 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.864 108.7 52.0 -64.2 -38.3 -2.8 -9.7 10.1 61 67 A Q H X S+ 0 0 96 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.931 107.4 50.3 -64.6 -45.5 -5.5 -9.3 12.7 62 68 A A H X S+ 0 0 53 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.865 108.8 53.3 -61.3 -33.7 -3.5 -11.0 15.4 63 69 A L H X S+ 0 0 25 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.877 105.0 55.0 -67.4 -36.1 -0.6 -8.7 14.7 64 70 A N H X S+ 0 0 6 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.909 106.6 50.9 -64.6 -39.1 -3.0 -5.7 15.1 65 71 A M H X S+ 0 0 50 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.912 111.4 47.4 -61.6 -43.1 -3.9 -7.0 18.6 66 72 A R H X S+ 0 0 136 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.889 110.7 52.9 -65.6 -38.1 -0.2 -7.3 19.5 67 73 A F H X S+ 0 0 5 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.949 110.4 46.5 -64.1 -49.2 0.4 -3.8 18.2 68 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.893 112.0 50.5 -61.8 -40.8 -2.4 -2.3 20.2 69 75 A S H X S+ 0 0 38 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.883 110.0 50.6 -65.5 -37.0 -1.3 -4.1 23.4 70 76 A S H X S+ 0 0 31 -4,-2.0 4,-1.0 1,-0.2 -1,-0.2 0.926 111.2 47.8 -66.8 -42.8 2.2 -2.9 23.0 71 77 A M H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 3,-0.4 0.891 107.0 58.4 -61.9 -38.4 1.0 0.7 22.5 72 78 A A H X S+ 0 0 2 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.868 96.7 60.3 -63.9 -36.4 -1.2 0.3 25.6 73 79 A E H < S+ 0 0 141 -4,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.901 114.0 37.8 -56.2 -39.3 1.8 -0.5 27.8 74 80 A I H >< S+ 0 0 23 -4,-1.0 3,-1.2 -3,-0.4 -2,-0.2 0.906 114.7 53.0 -76.5 -43.7 3.2 2.9 26.8 75 81 A A H 3< S+ 0 0 0 -4,-3.0 9,-0.2 1,-0.3 -2,-0.2 0.782 109.3 50.9 -63.0 -26.8 -0.2 4.7 26.9 76 82 A A T 3< 0 0 57 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.520 360.0 360.0 -90.5 -7.3 -0.9 3.4 30.4 77 83 A S < 0 0 109 -3,-1.2 -4,-0.0 -4,-0.3 -3,-0.0 -0.635 360.0 360.0 -82.9 360.0 2.4 4.5 31.9 78 ! 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 79 88 A G 0 0 77 0, 0.0 -51,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.6 -0.4 13.2 29.9 80 89 A S > - 0 0 61 1,-0.1 4,-2.0 4,-0.0 5,-0.2 -0.047 360.0 -98.2 -74.1 171.8 -3.2 10.7 30.7 81 90 A L H > S+ 0 0 63 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 124.2 50.3 -53.7 -45.1 -4.2 7.5 29.0 82 91 A S H > S+ 0 0 83 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.897 106.3 53.4 -71.6 -34.9 -6.9 9.3 27.1 83 92 A T H > S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.928 113.8 44.9 -58.6 -43.0 -4.6 12.1 25.9 84 93 A K H X S+ 0 0 7 -4,-2.0 4,-2.2 -58,-0.2 -2,-0.2 0.928 114.0 47.5 -68.6 -42.1 -2.3 9.4 24.5 85 94 A T H X S+ 0 0 16 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.901 112.4 49.8 -65.4 -43.7 -5.1 7.4 22.9 86 95 A S H X S+ 0 0 67 -4,-2.6 4,-2.5 -5,-0.2 -1,-0.2 0.899 110.6 50.7 -61.9 -42.9 -6.7 10.5 21.3 87 96 A S H X S+ 0 0 5 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.895 107.7 52.5 -63.4 -41.3 -3.3 11.4 19.9 88 97 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.963 110.7 48.5 -57.4 -47.5 -2.8 8.0 18.5 89 98 A A H X S+ 0 0 21 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.913 112.8 47.9 -59.2 -44.3 -6.2 8.3 16.8 90 99 A S H X S+ 0 0 53 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.923 111.6 48.3 -64.3 -44.3 -5.4 11.7 15.4 91 100 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.877 113.0 49.5 -65.7 -36.6 -2.0 10.7 14.1 92 101 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.915 109.7 50.9 -66.6 -43.2 -3.5 7.6 12.4 93 102 A S H X S+ 0 0 28 -4,-2.3 4,-1.9 -5,-0.2 -2,-0.2 0.958 112.7 45.8 -57.7 -50.8 -6.3 9.7 10.8 94 103 A N H X S+ 0 0 77 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.890 109.5 55.9 -60.0 -37.3 -3.7 12.1 9.4 95 104 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 1,-0.2 5,-0.3 0.869 105.0 52.5 -65.5 -37.3 -1.6 9.2 8.3 96 105 A F H X>S+ 0 0 4 -4,-2.3 5,-2.4 1,-0.2 4,-1.4 0.933 108.9 49.9 -61.4 -45.0 -4.5 7.8 6.3 97 106 A L H <5S+ 0 0 99 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.869 111.6 48.5 -62.6 -35.1 -5.0 11.2 4.6 98 107 A Q H <5S+ 0 0 149 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.762 127.0 24.2 -73.4 -26.9 -1.3 11.4 3.7 99 108 A T H <5S+ 0 0 44 -4,-1.4 -3,-0.2 -3,-0.3 -2,-0.2 0.878 137.6 14.9-108.5 -61.0 -1.3 7.8 2.3 100 109 A T T <5S- 0 0 63 -4,-1.4 -3,-0.2 -5,-0.3 -4,-0.1 0.682 84.9-135.6 -92.1 -18.4 -4.6 6.5 1.1 101 110 A G S + 0 0 32 -2,-0.3 4,-1.8 1,-0.2 3,-0.4 -0.778 21.0 177.5 -97.8 85.4 -10.6 4.4 7.6 105 114 A Q H > S+ 0 0 89 -2,-1.1 4,-3.1 1,-0.2 5,-0.3 0.909 73.6 57.6 -65.6 -39.9 -12.5 5.4 10.7 106 115 A P H > S+ 0 0 96 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.898 108.0 49.2 -56.9 -32.6 -13.5 1.9 11.8 107 116 A F H > S+ 0 0 5 -3,-0.4 4,-2.3 2,-0.2 -2,-0.2 0.917 111.8 47.9 -69.7 -42.5 -9.8 1.0 11.9 108 117 A I H X S+ 0 0 2 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.929 113.3 48.1 -62.2 -44.8 -9.0 4.1 14.0 109 118 A N H X S+ 0 0 84 -4,-3.1 4,-2.5 1,-0.2 -2,-0.2 0.905 109.9 52.0 -66.3 -38.9 -11.9 3.4 16.3 110 119 A E H X S+ 0 0 70 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.905 109.3 50.4 -61.8 -43.8 -10.9 -0.2 16.7 111 120 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.936 111.7 46.7 -59.8 -44.8 -7.3 0.8 17.6 112 121 A T H X S+ 0 0 36 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.914 113.2 50.6 -65.6 -38.5 -8.5 3.2 20.2 113 122 A Q H X S+ 0 0 125 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.921 113.4 44.1 -62.7 -46.9 -10.9 0.7 21.6 114 123 A L H X S+ 0 0 14 -4,-2.7 4,-2.8 2,-0.2 5,-0.2 0.896 112.2 51.3 -69.0 -40.6 -8.2 -2.0 21.8 115 124 A V H X S+ 0 0 0 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.940 113.3 45.7 -62.3 -44.7 -5.5 0.3 23.3 116 125 A S H X S+ 0 0 53 -4,-2.3 4,-1.6 -5,-0.2 -2,-0.2 0.898 113.4 50.5 -64.6 -39.2 -8.0 1.4 26.0 117 126 A M H X S+ 0 0 79 -4,-2.1 4,-0.6 -5,-0.2 -2,-0.2 0.935 112.5 44.6 -64.0 -49.4 -9.1 -2.2 26.6 118 127 A F H >< S+ 0 0 58 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.870 111.2 55.8 -64.6 -34.5 -5.5 -3.5 27.0 119 128 A A H 3< S+ 0 0 23 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.860 101.0 55.6 -66.2 -36.9 -4.6 -0.6 29.2 120 129 A Q H 3< 0 0 170 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.629 360.0 360.0 -78.6 -10.0 -7.3 -1.1 31.8 121 130 A A << 0 0 118 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.736 360.0 360.0 -78.2 360.0 -6.0 -4.7 32.3