==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 03-OCT-01 1K3S . COMPND 2 MOLECULE: SIGE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR M.G.BERTERO,Y.LUO,E.A.FREY,R.A.PFUETZNER,M.R.WENK,L.CREAGH, . 215 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11669.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 150 69.8 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 . 49 22.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 13 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 33.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 1 1 0 0 0 2 0 0 0 0 1 0 0 0 1 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 3 3 0 0 0 0 2 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 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 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 X 0 0 238 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 122.9 -28.6 -15.8 5.6 2 2 A E - 0 0 88 1,-0.1 5,-0.1 2,-0.1 0, 0.0 -0.569 360.0-105.9 -77.8 139.4 -25.8 -14.0 7.4 3 3 A S > - 0 0 45 -2,-0.2 4,-1.8 1,-0.1 5,-0.1 -0.150 26.7-112.6 -60.7 161.5 -24.4 -11.0 5.6 4 4 A L H > S+ 0 0 3 80,-0.2 4,-1.6 1,-0.2 5,-0.1 0.882 117.0 52.3 -64.2 -39.7 -21.0 -11.3 3.9 5 5 A L H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.879 107.9 51.4 -65.5 -37.7 -19.4 -8.8 6.4 6 6 A N H > S+ 0 0 74 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.890 109.2 50.4 -66.1 -38.3 -20.7 -10.8 9.3 7 7 A R H X S+ 0 0 83 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.819 109.0 52.1 -68.6 -30.7 -19.2 -14.0 7.9 8 8 A L H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.930 107.6 52.0 -69.4 -45.0 -15.9 -12.2 7.5 9 9 A Y H <>S+ 0 0 28 -4,-2.3 5,-1.7 1,-0.2 -2,-0.2 0.908 110.3 48.9 -56.2 -42.8 -16.0 -11.1 11.1 10 10 A D H ><5S+ 0 0 80 -4,-2.1 3,-2.3 1,-0.2 -1,-0.2 0.926 108.3 53.0 -63.3 -44.1 -16.6 -14.7 12.1 11 11 A A H 3<5S+ 0 0 40 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.810 107.2 52.7 -60.7 -29.9 -13.7 -15.8 9.9 12 12 A L T 3<5S- 0 0 58 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.294 124.0-109.6 -88.1 10.3 -11.6 -13.3 11.8 13 13 A G T < 5S+ 0 0 68 -3,-2.3 2,-0.4 1,-0.2 -3,-0.2 0.950 70.9 141.6 61.9 52.7 -12.8 -14.8 15.0 14 14 A L < 0 0 60 -5,-1.7 -1,-0.2 -8,-0.2 -2,-0.1 -0.964 360.0 360.0-129.6 144.6 -15.0 -11.9 16.1 15 15 A D 0 0 180 -2,-0.4 -5,-0.1 -5,-0.0 -9,-0.0 -0.392 360.0 360.0-100.6 360.0 -18.4 -11.7 17.8 16 ! 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 17 20 A E 0 0 182 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 136.6 -22.0 -2.1 15.0 18 21 A P - 0 0 134 0, 0.0 2,-0.3 0, 0.0 11,-0.0 -0.090 360.0-178.5 -48.7 154.0 -19.2 0.2 14.0 19 22 A L - 0 0 41 11,-0.2 11,-0.5 2,-0.0 2,-0.5 -0.941 23.1-159.4-164.1 137.7 -15.8 -1.6 14.1 20 23 A L - 0 0 95 -2,-0.3 2,-0.4 9,-0.1 9,-0.2 -0.975 12.6-155.8-122.9 128.7 -12.1 -0.9 13.6 21 24 A I E -A 28 0A 27 7,-3.4 7,-2.7 -2,-0.5 2,-0.6 -0.829 3.3-161.7-104.6 140.6 -9.5 -3.6 12.9 22 25 A I E +A 27 0A 123 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.953 15.9 171.7-122.3 108.1 -5.8 -3.3 13.7 23 26 A D E > S-A 26 0A 48 3,-2.7 3,-1.3 -2,-0.6 -2,-0.0 -0.940 74.1 -23.8-121.2 105.3 -3.8 -5.9 11.7 24 27 A D T 3 S- 0 0 122 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.914 125.7 -50.5 60.5 46.3 -0.1 -5.4 12.0 25 28 A G T 3 S+ 0 0 60 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.449 114.4 123.8 73.7 -2.8 -0.3 -1.7 12.8 26 29 A I E < -A 23 0A 5 -3,-1.3 -3,-2.7 2,-0.0 2,-0.4 -0.810 56.4-140.0 -95.8 128.9 -2.6 -1.4 9.8 27 30 A Q E +A 22 0A 92 -2,-0.5 2,-0.4 15,-0.3 -5,-0.2 -0.703 23.0 179.4 -88.2 135.5 -6.1 0.1 10.4 28 31 A V E +A 21 0A 0 -7,-2.7 -7,-3.4 -2,-0.4 2,-0.3 -0.982 8.0 162.7-141.5 127.1 -9.0 -1.4 8.6 29 32 A Y E -B 40 0B 48 11,-2.4 11,-3.0 -2,-0.4 2,-0.4 -0.890 28.7-122.1-133.6 165.0 -12.7 -0.5 8.7 30 33 A F E -B 39 0B 28 -11,-0.5 2,-0.3 -2,-0.3 9,-0.2 -0.886 15.0-167.9-119.2 144.6 -15.6 -1.3 6.4 31 34 A N E -B 38 0B 50 7,-2.6 7,-2.9 -2,-0.4 2,-0.4 -0.891 16.1-156.6-119.6 152.1 -18.0 0.8 4.4 32 35 A E E +B 37 0B 96 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.985 16.6 174.9-136.8 148.0 -21.1 -0.8 2.8 33 36 A S - 0 0 46 3,-2.3 51,-0.0 -2,-0.4 5,-0.0 -0.784 54.1 -84.4-133.0 174.5 -23.5 0.0 -0.1 34 37 A D S S+ 0 0 127 -2,-0.3 3,-0.0 1,-0.2 -1,-0.0 0.904 125.4 16.6 -50.0 -49.5 -26.3 -2.1 -1.4 35 38 A H S S+ 0 0 136 1,-0.1 49,-2.6 48,-0.1 2,-0.4 0.483 119.8 65.1-107.1 -2.4 -24.2 -4.2 -3.8 36 39 A T E - C 0 83B 16 47,-0.2 -3,-2.3 48,-0.1 2,-0.5 -0.963 52.3-157.4-136.4 141.0 -20.7 -3.6 -2.4 37 40 A L E -BC 32 82B 0 45,-2.9 45,-2.7 -2,-0.4 2,-0.5 -0.928 23.1-159.2-105.1 126.7 -18.5 -4.2 0.6 38 41 A E E -BC 31 81B 5 -7,-2.9 -7,-2.6 -2,-0.5 2,-0.5 -0.938 7.1-154.0-115.8 119.7 -15.6 -1.8 0.8 39 42 A X E -BC 30 80B 0 41,-2.6 41,-1.7 -2,-0.5 2,-0.4 -0.785 20.9-165.6 -89.6 128.3 -12.5 -2.5 2.9 40 43 A C E -BC 29 79B 0 -11,-3.0 -11,-2.4 -2,-0.5 39,-0.2 -0.960 18.8-175.3-124.9 133.1 -10.8 0.8 3.9 41 44 A C E - C 0 78B 1 37,-2.9 37,-2.3 -2,-0.4 2,-0.9 -0.920 15.1-153.7-124.8 104.9 -7.4 1.5 5.3 42 45 A P E + C 0 77B 19 0, 0.0 -15,-0.3 0, 0.0 35,-0.2 -0.677 23.6 171.6 -76.2 109.8 -6.8 5.2 6.3 43 46 A F E - 0 0 8 33,-1.3 34,-0.1 -2,-0.9 32,-0.0 0.575 55.8 -3.4-100.9 -8.7 -3.0 5.2 5.8 44 47 A X E S- C 0 76B 42 32,-1.0 32,-2.8 66,-0.1 -1,-0.2 -0.959 84.1 -78.6-172.0 158.0 -2.1 8.8 6.3 45 48 A P E - C 0 75B 102 0, 0.0 30,-0.3 0, 0.0 29,-0.1 -0.348 61.9 -92.7 -64.1 150.8 -3.7 12.3 6.8 46 49 A L - 0 0 21 28,-2.2 7,-0.1 1,-0.1 23,-0.1 -0.479 44.7-125.3 -66.0 118.8 -5.1 13.8 3.6 47 50 A P - 0 0 12 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.285 16.9-161.4 -64.2 151.5 -2.5 15.9 2.0 48 51 A D + 0 0 120 116,-0.0 2,-0.4 5,-0.0 112,-0.1 0.130 58.8 95.2-119.8 18.8 -3.4 19.6 1.3 49 52 A D S > S- 0 0 63 1,-0.1 4,-1.9 111,-0.1 5,-0.2 -0.880 74.7-125.7-114.3 146.7 -0.7 20.4 -1.2 50 53 A I H > S+ 0 0 58 -2,-0.4 4,-2.2 1,-0.2 5,-0.2 0.885 103.3 47.5 -53.5 -50.9 -1.0 20.3 -5.0 51 54 A L H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.878 111.2 47.5 -66.9 -40.3 2.0 18.1 -5.7 52 55 A T H > S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 113.1 50.7 -67.8 -39.6 1.4 15.3 -3.2 53 56 A L H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.911 110.8 47.3 -63.7 -43.0 -2.3 15.1 -4.3 54 57 A Q H X S+ 0 0 7 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.886 109.0 56.8 -65.9 -35.5 -1.4 14.8 -7.9 55 58 A H H X S+ 0 0 55 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.903 106.9 47.5 -60.8 -43.2 1.2 12.2 -7.0 56 59 A F H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.795 108.5 54.4 -72.3 -25.8 -1.4 10.0 -5.3 57 60 A L H X S+ 0 0 0 -4,-1.5 122,-1.3 2,-0.2 4,-0.7 0.901 110.4 47.1 -71.7 -38.7 -3.8 10.4 -8.3 58 61 A R H >X S+ 0 0 72 -4,-2.1 3,-1.1 120,-0.3 4,-1.1 0.904 106.6 57.6 -66.5 -39.7 -0.9 9.1 -10.5 59 62 A L H 3X S+ 0 0 12 -4,-2.3 4,-4.0 1,-0.3 3,-0.5 0.868 96.4 64.8 -58.4 -35.3 -0.3 6.2 -8.0 60 63 A N H 3< S+ 0 0 8 -4,-1.4 -1,-0.3 1,-0.2 -2,-0.2 0.839 98.2 54.6 -55.1 -36.1 -3.9 5.2 -8.6 61 64 A Y H << S+ 0 0 57 -3,-1.1 -1,-0.2 -4,-0.7 -2,-0.2 0.871 121.7 27.1 -67.6 -37.2 -3.0 4.4 -12.2 62 65 A T H < S+ 0 0 89 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.1 0.768 99.7 93.2 -98.8 -28.7 -0.2 2.1 -11.2 63 66 A S S < S- 0 0 20 -4,-4.0 4,-0.1 -5,-0.2 38,-0.0 -0.320 70.2-134.8 -69.8 149.4 -1.1 0.8 -7.7 64 67 A A S S+ 0 0 73 37,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.784 90.2 56.4 -72.0 -28.9 -3.0 -2.5 -7.4 65 68 A V S S- 0 0 16 36,-0.1 15,-0.1 15,-0.1 2,-0.1 -0.827 92.7-106.4-109.8 148.2 -5.4 -0.9 -4.8 66 69 A T E -D 79 0B 31 13,-1.2 13,-2.5 -2,-0.3 2,-0.5 -0.407 28.6-155.3 -68.8 139.7 -7.5 2.1 -5.2 67 70 A I E +D 78 0B 0 11,-0.2 11,-0.2 -11,-0.1 2,-0.2 -0.980 29.3 141.3-120.5 126.6 -6.4 5.2 -3.3 68 71 A G E -D 77 0B 0 9,-3.3 9,-3.7 -2,-0.5 2,-0.4 -0.739 46.9 -96.1-144.2-166.8 -9.0 7.8 -2.3 69 72 A A E -D 76 0B 0 98,-1.9 102,-0.3 7,-0.3 7,-0.2 -0.954 38.9-115.5-122.1 141.6 -10.0 10.3 0.4 70 73 A D > - 0 0 12 5,-1.9 3,-1.9 -2,-0.4 101,-0.1 -0.198 35.3 -97.0 -72.3 167.4 -12.6 9.5 3.0 71 74 A A T 3 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.1 97,-0.0 0.792 122.3 51.4 -55.5 -33.6 -15.9 11.4 3.3 72 75 A D T 3 S- 0 0 132 3,-0.0 -1,-0.3 1,-0.0 -2,-0.1 0.348 106.7-123.3 -88.0 6.0 -14.7 13.8 6.0 73 76 A N S < S+ 0 0 52 -3,-1.9 -2,-0.1 2,-0.1 3,-0.1 0.833 79.9 117.7 56.9 33.9 -11.6 14.8 4.0 74 77 A T + 0 0 81 1,-0.2 -28,-2.2 -29,-0.1 2,-0.3 0.798 68.1 24.7-100.0 -35.1 -9.5 13.7 6.9 75 78 A A E -C 45 0B 12 -30,-0.3 -5,-1.9 -29,-0.0 2,-0.4 -0.935 65.7-121.8-137.2 156.4 -7.5 10.9 5.5 76 79 A L E -CD 44 69B 0 -32,-2.8 -33,-1.3 -2,-0.3 -32,-1.0 -0.758 43.6-160.0 -84.1 139.0 -6.0 9.3 2.3 77 80 A V E -CD 42 68B 0 -9,-3.7 -9,-3.3 -2,-0.4 2,-0.4 -0.970 20.1-149.5-130.8 142.6 -7.5 5.8 2.2 78 81 A A E +CD 41 67B 0 -37,-2.3 -37,-2.9 -2,-0.4 2,-0.3 -0.850 33.8 178.0-100.9 141.2 -6.5 2.7 0.4 79 82 A L E -CD 40 66B 1 -13,-2.5 -13,-1.2 -2,-0.4 2,-0.4 -0.978 28.9-156.4-149.2 163.3 -9.5 0.5 -0.5 80 83 A Y E -C 39 0B 85 -41,-1.7 -41,-2.6 -2,-0.3 2,-0.5 -0.985 15.3-147.7-141.6 124.5 -10.8 -2.6 -2.1 81 84 A R E -C 38 0B 66 -2,-0.4 -43,-0.2 -43,-0.2 -45,-0.0 -0.814 17.3-178.2 -95.8 131.0 -14.4 -3.2 -3.4 82 85 A L E -C 37 0B 7 -45,-2.7 -45,-2.9 -2,-0.5 -2,-0.0 -0.995 33.4-106.7-130.8 131.0 -15.8 -6.7 -3.2 83 86 A P E > -C 36 0B 66 0, 0.0 3,-2.6 0, 0.0 -47,-0.2 -0.296 20.6-131.3 -57.1 135.1 -19.3 -7.7 -4.4 84 87 A Q T 3 S+ 0 0 41 -49,-2.6 -80,-0.2 1,-0.3 -48,-0.1 0.563 109.5 63.7 -64.1 -5.2 -21.8 -8.3 -1.6 85 88 A T T 3 S+ 0 0 132 -50,-0.4 -1,-0.3 2,-0.0 -49,-0.1 0.355 79.9 116.9 -98.5 3.0 -22.5 -11.5 -3.6 86 89 A S S < S- 0 0 12 -3,-2.6 2,-0.1 1,-0.1 -4,-0.0 -0.231 71.6-101.2 -69.2 160.7 -18.9 -12.8 -3.0 87 90 A T > - 0 0 68 1,-0.1 4,-2.0 4,-0.0 3,-0.2 -0.461 28.1-112.5 -81.6 156.2 -18.2 -16.0 -1.1 88 91 A E H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.886 119.4 53.5 -53.4 -41.0 -17.0 -15.9 2.5 89 92 A E H > S+ 0 0 136 1,-0.2 4,-3.1 2,-0.2 5,-0.3 0.889 106.2 50.3 -62.8 -43.0 -13.7 -17.3 1.3 90 93 A E H > S+ 0 0 94 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.854 110.4 52.5 -65.0 -33.3 -13.2 -14.6 -1.3 91 94 A A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.966 113.5 42.0 -65.4 -52.1 -13.9 -12.0 1.4 92 95 A L H X S+ 0 0 41 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.930 118.1 44.4 -61.8 -49.0 -11.3 -13.5 3.8 93 96 A T H X S+ 0 0 56 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.923 113.9 51.4 -63.1 -42.3 -8.7 -14.0 1.1 94 97 A G H X S+ 0 0 6 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.916 108.7 51.8 -58.9 -43.5 -9.4 -10.6 -0.3 95 98 A F H X S+ 0 0 5 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.927 110.5 48.2 -57.5 -48.1 -9.0 -9.1 3.2 96 99 A E H X S+ 0 0 118 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.885 113.3 46.1 -62.1 -42.1 -5.6 -10.8 3.5 97 100 A L H X S+ 0 0 110 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.851 110.5 54.9 -69.7 -34.7 -4.4 -9.6 0.1 98 101 A F H X S+ 0 0 4 -4,-2.5 4,-3.2 -5,-0.2 5,-0.3 0.970 107.8 48.7 -60.4 -54.6 -5.6 -6.1 0.9 99 102 A I H X S+ 0 0 10 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.905 111.4 50.8 -50.9 -47.6 -3.6 -6.0 4.1 100 103 A S H X S+ 0 0 71 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.907 113.3 44.6 -58.5 -45.6 -0.6 -7.2 2.2 101 104 A N H X S+ 0 0 66 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.919 114.7 47.3 -66.9 -45.4 -1.0 -4.5 -0.5 102 105 A V H X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.2 5,-0.3 0.854 105.9 59.7 -66.2 -35.1 -1.7 -1.7 2.0 103 106 A K H X S+ 0 0 112 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.930 112.1 38.8 -59.0 -45.7 1.3 -2.7 4.2 104 107 A Q H X S+ 0 0 119 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.846 114.3 54.7 -73.6 -35.0 3.7 -2.2 1.3 105 108 A L H X>S+ 0 0 14 -4,-2.1 4,-2.8 2,-0.2 5,-0.5 0.950 111.2 45.3 -61.7 -48.6 1.8 0.9 0.0 106 109 A K H X5S+ 0 0 82 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.919 111.8 50.4 -62.6 -47.1 2.1 2.5 3.5 107 110 A E H <5S+ 0 0 123 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.771 119.9 36.8 -65.8 -24.9 5.8 1.7 4.0 108 111 A H H <5S+ 0 0 119 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.793 133.9 17.0 -96.3 -32.4 6.7 3.0 0.6 109 112 A Y H <5 0 0 105 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.580 360.0 360.0-119.0 -13.1 4.5 6.1 0.2 110 113 A A << 0 0 82 -4,-2.0 -66,-0.1 -5,-0.5 -4,-0.0 -0.221 360.0 360.0 -88.4 360.0 3.1 7.0 3.6 111 !* 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 0.0 112 2 B E 0 0 151 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.6 -7.5 -16.2 -25.4 113 3 B S > - 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0 0 68 1,-0.1 4,-2.0 -80,-0.0 5,-0.1 -0.423 24.1-106.0 -90.0 169.4 -15.0 -14.3 -17.8 198 91 B E H > S+ 0 0 70 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.774 121.6 55.9 -64.2 -26.8 -16.2 -12.7 -21.0 199 92 B E H > S+ 0 0 117 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.882 107.6 46.8 -72.4 -40.1 -19.5 -11.9 -19.3 200 93 B E H > S+ 0 0 85 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.870 111.9 51.7 -69.1 -37.5 -17.8 -10.0 -16.5 201 94 B A H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.955 109.2 49.4 -63.3 -50.9 -15.6 -8.1 -19.0 202 95 B L H X S+ 0 0 51 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.936 111.8 49.0 -53.2 -51.4 -18.6 -7.1 -21.0 203 96 B T H X S+ 0 0 68 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.900 110.1 51.6 -56.6 -44.3 -20.4 -5.8 -17.9 204 97 B G H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.920 108.4 50.9 -60.0 -45.0 -17.3 -3.9 -16.8 205 98 B F H X S+ 0 0 18 -4,-2.6 4,-2.3 1,-0.2 5,-0.2 0.917 109.0 51.0 -59.1 -46.0 -17.0 -2.2 -20.1 206 99 B E H X S+ 0 0 111 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.906 112.6 46.2 -58.7 -43.7 -20.6 -1.1 -20.1 207 100 B L H X S+ 0 0 65 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.909 110.2 54.9 -66.3 -41.7 -20.2 0.3 -16.6 208 101 B F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.935 107.8 46.4 -57.2 -53.3 -17.0 2.1 -17.6 209 102 B I H X S+ 0 0 18 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.864 110.7 53.6 -59.8 -38.6 -18.4 4.0 -20.5 210 103 B S H X S+ 0 0 73 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.922 110.4 46.8 -63.4 -44.3 -21.4 5.1 -18.5 211 104 B N H X S+ 0 0 27 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.859 108.6 54.6 -67.0 -36.1 -19.2 6.5 -15.8 212 105 B V H X S+ 0 0 1 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.910 108.2 49.3 -65.0 -39.9 -17.0 8.3 -18.3 213 106 B K H >< S+ 0 0 108 -4,-2.0 3,-0.5 1,-0.2 4,-0.3 0.915 110.6 51.7 -62.8 -41.7 -20.0 10.1 -19.8 214 107 B Q H >< S+ 0 0 96 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.920 106.3 53.4 -60.2 -45.7 -21.0 11.0 -16.2 215 108 B L H 3< S+ 0 0 32 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.729 106.8 53.5 -62.9 -23.3 -17.6 12.5 -15.5 216 109 B K T << S+ 0 0 98 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.414 88.0 103.5 -93.8 2.4 -17.8 14.7 -18.6 217 110 B E < 0 0 134 -3,-1.6 -3,-0.0 -4,-0.3 0, 0.0 -0.258 360.0 360.0 -77.1 170.1 -21.2 16.2 -17.7 218 111 B H 0 0 227 -2,-0.0 -3,-0.1 0, 0.0 -1,-0.0 -0.330 360.0 360.0-155.9 360.0 -21.5 19.7 -16.3