==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 03-MAR-11 3QYA . COMPND 2 MOLECULE: LUCIFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LAMPYRIS TURKESTANICUS; . AUTHOR M.KHEIRABADI,U.GOHLKE,S.HOSSEIN KHANI,U.HEINEMANN,H.NADERI-M . 427 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17856.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 39 9.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 50 11.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 27 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 2 2 2 2 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 4 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 . 4 3 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 0 0 1 2 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 4 A A > 0 0 111 0, 0.0 3,-1.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -8.6 43.3 -12.4 41.1 2 5 A K T 3 + 0 0 196 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.460 360.0 68.1 -59.2 -11.4 46.2 -11.0 39.1 3 6 A N T 3 S+ 0 0 65 373,-0.1 2,-0.5 2,-0.1 363,-0.4 0.450 81.8 84.6 -90.5 -2.1 43.0 -9.0 37.9 4 7 A I S < S- 0 0 26 -3,-1.2 2,-0.4 361,-0.1 361,-0.2 -0.880 75.5-142.7 -94.3 126.6 42.7 -7.3 41.3 5 8 A M E -A 364 0A 43 359,-2.4 359,-2.5 -2,-0.5 2,-0.4 -0.741 18.4-168.0 -87.4 136.7 44.9 -4.2 41.6 6 9 A H E -A 363 0A 121 -2,-0.4 357,-0.2 357,-0.2 352,-0.1 -0.958 20.8-119.0-124.4 143.4 46.5 -3.5 45.0 7 10 A G - 0 0 16 355,-2.7 354,-0.3 352,-0.5 352,-0.2 -0.390 36.0-110.6 -70.3 156.7 48.3 -0.5 46.3 8 11 A P - 0 0 63 0, 0.0 353,-0.4 0, 0.0 354,-0.2 -0.241 45.2 -74.5 -75.8 172.8 52.0 -0.8 47.2 9 12 A P - 0 0 115 0, 0.0 3,-0.0 0, 0.0 2,-0.0 -0.418 59.1-100.9 -65.3 147.2 53.3 -0.7 50.8 10 13 A P - 0 0 26 0, 0.0 4,-0.1 0, 0.0 203,-0.1 -0.300 24.4-121.1 -65.4 156.1 53.4 2.9 52.2 11 14 A F S S+ 0 0 135 201,-0.1 205,-0.1 1,-0.1 201,-0.0 0.978 103.7 35.2 -63.2 -50.8 56.7 4.6 52.2 12 15 A Y S S- 0 0 141 200,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.777 102.2-104.7 -99.1 143.8 56.5 5.0 56.0 13 16 A P - 0 0 117 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.277 50.4 -81.9 -65.1 156.3 55.0 2.3 58.1 14 17 A L - 0 0 45 1,-0.1 195,-0.1 -4,-0.1 194,-0.0 -0.463 50.8-126.1 -62.8 116.6 51.5 3.0 59.5 15 18 A E - 0 0 53 -2,-0.4 2,-0.1 193,-0.2 -1,-0.1 -0.296 21.2-122.1 -62.5 142.1 51.9 5.1 62.7 16 19 A D + 0 0 134 5,-0.1 -1,-0.1 6,-0.0 2,-0.1 -0.384 65.1 60.8 -78.3 164.8 50.2 3.8 65.9 17 20 A G S S- 0 0 21 -2,-0.1 165,-0.1 166,-0.1 191,-0.0 -0.121 85.6 -64.1 102.1 161.8 47.7 5.7 67.9 18 21 A T > - 0 0 1 163,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.157 53.7-101.4 -69.9 170.3 44.3 7.2 67.4 19 22 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.886 125.6 51.9 -62.4 -39.4 43.7 9.9 64.8 20 23 A G H > S+ 0 0 0 73,-0.5 4,-2.8 1,-0.2 5,-0.2 0.908 108.4 51.1 -63.0 -40.6 43.7 12.5 67.7 21 24 A E H > S+ 0 0 51 2,-0.2 4,-1.9 72,-0.2 -1,-0.2 0.899 111.9 46.3 -66.2 -39.4 46.9 11.1 69.0 22 25 A Q H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.924 115.3 45.9 -68.3 -41.6 48.6 11.4 65.6 23 26 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.3 0.915 111.6 51.6 -66.1 -43.4 47.3 14.9 65.0 24 27 A H H X S+ 0 0 18 -4,-2.8 4,-2.6 -5,-0.2 -1,-0.2 0.924 109.9 50.8 -57.3 -47.2 48.2 16.1 68.5 25 28 A K H X S+ 0 0 118 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.929 113.3 42.9 -61.9 -47.8 51.8 14.8 68.1 26 29 A A H X S+ 0 0 1 -4,-2.0 4,-2.1 2,-0.2 5,-0.2 0.947 115.8 48.7 -61.4 -48.2 52.3 16.6 64.7 27 30 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.879 107.4 55.7 -65.3 -37.2 50.7 19.8 65.9 28 31 A K H X S+ 0 0 57 -4,-2.6 4,-0.7 -5,-0.3 -1,-0.2 0.903 107.6 49.2 -61.0 -40.4 52.7 19.9 69.1 29 32 A R H >< S+ 0 0 114 -4,-1.7 3,-1.1 1,-0.2 -2,-0.2 0.952 113.6 44.9 -63.3 -48.5 56.0 19.7 67.1 30 33 A Y H >< S+ 0 0 27 -4,-2.1 3,-1.5 1,-0.2 21,-0.3 0.847 104.5 65.4 -66.2 -28.8 54.9 22.6 64.8 31 34 A A H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 19,-0.3 -2,-0.2 0.710 94.3 60.1 -64.8 -22.5 53.7 24.6 67.8 32 35 A Q T << S+ 0 0 122 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.394 87.1 78.1 -91.7 2.6 57.2 24.9 69.1 33 36 A V S X S- 0 0 87 -3,-1.5 3,-1.6 -4,-0.2 18,-0.2 -0.904 88.5-129.7-106.4 103.6 58.6 26.7 66.0 34 37 A P T 3 S+ 0 0 118 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.181 85.3 20.1 -57.9 139.8 57.5 30.3 66.5 35 38 A G T 3 S+ 0 0 54 1,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.439 77.5 147.7 86.0 -0.9 55.7 31.9 63.5 36 39 A T < - 0 0 34 -3,-1.6 14,-2.6 -6,-0.3 2,-0.4 -0.575 43.7-137.7 -68.9 116.6 54.8 28.6 61.8 37 40 A I E +H 49 0B 39 -2,-0.5 12,-0.3 12,-0.3 3,-0.1 -0.663 30.2 173.4 -87.9 128.3 51.5 29.5 60.0 38 41 A A E + 0 0 0 10,-2.4 216,-3.0 -2,-0.4 2,-0.4 0.841 69.8 10.0 -92.9 -52.5 48.6 27.0 60.1 39 42 A F E -Hi 48 254B 0 9,-1.7 9,-2.7 214,-0.2 2,-0.4 -0.978 57.2-165.8-133.4 149.0 45.8 29.0 58.5 40 43 A T E -Hi 47 255B 0 214,-2.4 216,-3.0 -2,-0.4 2,-0.8 -0.998 17.6-141.0-133.0 128.6 45.6 32.3 56.7 41 44 A D E > - i 0 256B 29 5,-2.9 4,-2.6 -2,-0.4 5,-0.3 -0.816 11.9-162.8 -89.1 106.0 42.3 34.1 56.0 42 45 A A T 4 S+ 0 0 5 214,-2.6 -1,-0.2 -2,-0.8 215,-0.2 0.819 88.0 47.5 -63.2 -30.6 42.7 35.6 52.5 43 46 A H T 4 S+ 0 0 54 213,-0.3 -1,-0.2 1,-0.1 214,-0.1 0.922 124.0 29.0 -74.7 -46.2 39.8 38.0 52.9 44 47 A A T 4 S- 0 0 57 2,-0.1 -2,-0.2 1,-0.0 -1,-0.1 0.656 96.7-135.3 -90.2 -15.7 40.8 39.4 56.4 45 48 A E < + 0 0 144 -4,-2.6 2,-0.3 1,-0.2 -3,-0.2 0.505 54.1 144.6 70.2 9.7 44.6 38.8 55.8 46 49 A V - 0 0 78 -5,-0.3 -5,-2.9 -6,-0.0 2,-0.4 -0.636 35.4-155.3 -85.4 132.4 44.9 37.4 59.4 47 50 A N E -H 40 0B 66 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.861 2.8-161.1 -99.6 138.3 47.4 34.5 60.0 48 51 A I E -H 39 0B 15 -9,-2.7 -10,-2.4 -2,-0.4 -9,-1.7 -0.986 16.6-140.2-120.4 132.2 47.0 32.0 62.9 49 52 A T E > -H 37 0B 23 -2,-0.4 4,-2.4 -12,-0.3 -12,-0.3 -0.395 22.6-110.9 -89.9 163.8 50.1 30.0 63.9 50 53 A Y H > S+ 0 0 0 -14,-2.6 4,-2.9 2,-0.2 -19,-0.3 0.826 117.9 56.8 -60.5 -31.8 50.5 26.4 65.0 51 54 A S H > S+ 0 0 36 -15,-0.3 4,-2.1 -21,-0.3 -1,-0.2 0.940 110.0 44.7 -68.8 -40.0 51.2 27.4 68.6 52 55 A E H > S+ 0 0 80 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.945 116.7 45.9 -61.2 -44.4 48.0 29.3 68.7 53 56 A Y H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.893 112.9 48.5 -68.7 -44.0 46.1 26.4 67.1 54 57 A F H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 5,-0.2 0.907 111.8 50.7 -61.0 -42.1 47.7 23.7 69.3 55 58 A E H X S+ 0 0 72 -4,-2.1 4,-2.4 -5,-0.3 -2,-0.2 0.957 112.7 44.6 -67.2 -45.2 46.9 25.7 72.4 56 59 A M H X S+ 0 0 17 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.867 112.5 52.3 -64.6 -39.7 43.2 26.2 71.5 57 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.930 112.2 44.9 -62.5 -46.6 42.8 22.6 70.4 58 61 A C H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.908 114.0 49.9 -63.8 -40.5 44.2 21.3 73.7 59 62 A R H X S+ 0 0 57 -4,-2.4 4,-2.2 -5,-0.2 -2,-0.2 0.888 112.8 46.3 -66.4 -40.8 42.1 23.8 75.7 60 63 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -1,-0.2 0.882 110.3 54.1 -66.6 -41.7 38.9 22.8 73.9 61 64 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.978 113.5 41.0 -52.8 -56.3 39.7 19.1 74.3 62 65 A E H X S+ 0 0 24 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.873 114.1 54.0 -63.5 -37.6 40.1 19.5 78.1 63 66 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.917 109.2 46.7 -61.9 -46.6 37.1 21.8 78.3 64 67 A M H X>S+ 0 0 0 -4,-2.6 5,-2.7 2,-0.2 4,-0.9 0.855 111.4 52.2 -65.5 -33.9 34.8 19.4 76.5 65 68 A K H ><5S+ 0 0 82 -4,-1.9 3,-0.5 3,-0.2 -2,-0.2 0.939 112.3 45.7 -68.5 -40.7 36.0 16.5 78.7 66 69 A R H 3<5S+ 0 0 137 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.852 105.8 59.0 -70.4 -36.0 35.3 18.6 81.9 67 70 A Y H 3<5S- 0 0 66 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.756 128.7-101.3 -61.9 -28.1 31.9 19.6 80.5 68 71 A G T <<5 + 0 0 47 -4,-0.9 2,-0.3 -3,-0.5 -3,-0.2 0.522 70.0 146.4 123.0 12.8 31.2 15.9 80.4 69 72 A L < + 0 0 8 -5,-2.7 -1,-0.3 2,-0.1 2,-0.2 -0.597 14.0 150.2 -85.3 142.0 31.7 14.7 76.9 70 73 A G > - 0 0 25 -2,-0.3 3,-2.0 26,-0.1 25,-0.1 -0.671 61.7 -54.2-144.7-162.5 33.1 11.3 76.0 71 74 A L T 3 S+ 0 0 85 1,-0.3 27,-0.2 -2,-0.2 118,-0.2 0.665 126.7 59.1 -61.4 -21.8 32.9 8.5 73.4 72 75 A Q T 3 S+ 0 0 166 25,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.566 98.4 76.5 -86.2 -8.3 29.1 8.3 73.5 73 76 A H < - 0 0 64 -3,-2.0 25,-1.2 23,-0.1 2,-0.3 -0.676 60.1-159.7-103.8 160.3 28.7 11.9 72.6 74 77 A H E -n 98 0C 43 45,-0.5 47,-2.8 -2,-0.2 48,-0.8 -0.876 2.2-156.4-125.0 161.0 29.0 13.9 69.4 75 78 A I E -no 99 122C 0 23,-2.8 25,-2.2 -2,-0.3 2,-0.3 -0.935 10.0-142.1-127.2 160.1 29.5 17.6 68.5 76 79 A A E -no 100 123C 0 46,-2.3 48,-3.2 -2,-0.3 2,-0.4 -0.924 4.2-159.8-118.4 152.8 28.6 19.5 65.4 77 80 A V E +no 101 124C 0 23,-1.9 25,-2.8 -2,-0.3 2,-0.5 -0.990 13.5 176.8-127.9 118.8 30.6 22.3 63.6 78 81 A C E + o 0 125C 2 46,-2.5 48,-1.6 -2,-0.4 2,-0.3 -0.943 29.3 112.0-128.1 107.5 28.4 24.5 61.3 79 82 A S - 0 0 1 -2,-0.5 25,-0.3 23,-0.4 156,-0.2 -0.948 64.5 -98.3-171.6 144.3 30.3 27.3 59.7 80 83 A E S S- 0 0 18 -2,-0.3 5,-0.1 1,-0.2 178,-0.1 -0.230 71.7 -69.4 -54.8 156.1 31.7 28.8 56.5 81 84 A N S S+ 0 0 13 177,-0.2 2,-0.3 176,-0.2 -1,-0.2 -0.349 78.8 148.0 -52.1 134.6 35.3 28.1 56.0 82 85 A S > - 0 0 9 -3,-0.1 3,-0.6 175,-0.1 4,-0.4 -0.979 62.7 -94.0-161.5 171.8 37.3 30.1 58.6 83 86 A L T 3 S+ 0 0 12 -2,-0.3 3,-0.1 1,-0.2 4,-0.1 0.737 121.6 44.1 -61.1 -27.2 40.3 30.4 60.8 84 87 A Q T > S+ 0 0 45 1,-0.1 3,-1.9 2,-0.1 -1,-0.2 0.588 83.1 95.5 -98.2 -15.7 38.4 28.8 63.7 85 88 A F T <> S+ 0 0 1 -3,-0.6 4,-0.7 1,-0.3 -1,-0.1 0.868 87.3 46.4 -46.1 -47.8 36.6 25.9 62.0 86 89 A F H 3> S+ 0 0 0 -4,-0.4 4,-2.7 1,-0.2 5,-0.3 0.592 89.5 84.5 -78.3 -7.6 39.2 23.3 62.9 87 90 A M H <> S+ 0 0 2 -3,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.966 98.1 36.7 -62.9 -52.5 39.6 24.2 66.5 88 91 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.820 114.0 59.6 -68.3 -24.2 36.7 22.2 67.8 89 92 A V H X S+ 0 0 0 -4,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.957 110.0 40.4 -66.6 -49.3 37.5 19.5 65.2 90 93 A C H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.915 114.7 52.7 -62.2 -48.5 41.0 18.9 66.5 91 94 A G H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.868 110.7 47.0 -55.5 -46.3 39.9 19.1 70.2 92 95 A A H ><>S+ 0 0 0 -4,-2.1 5,-2.5 1,-0.2 3,-0.7 0.868 109.5 53.4 -65.0 -40.4 37.1 16.5 69.7 93 96 A L H ><5S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 -73,-0.5 0.880 102.8 59.9 -62.8 -38.2 39.4 14.1 67.9 94 97 A F H 3<5S+ 0 0 0 -4,-2.1 87,-2.4 1,-0.2 -1,-0.2 0.794 115.1 33.2 -53.6 -31.5 41.8 14.4 70.9 95 98 A I T <<5S- 0 0 1 -3,-0.7 -1,-0.2 -4,-0.7 -2,-0.2 0.236 113.5-108.0-116.3 10.0 39.2 13.1 73.2 96 99 A G T < 5 + 0 0 3 -3,-1.0 2,-0.6 -4,-0.4 -3,-0.2 0.776 66.8 145.8 71.0 28.1 37.3 10.6 71.0 97 100 A V < - 0 0 0 -5,-2.5 -1,-0.2 -6,-0.1 -23,-0.2 -0.875 53.3-116.1-100.0 123.5 34.2 12.7 70.6 98 101 A G E -n 74 0C 1 -25,-1.2 -23,-2.8 -2,-0.6 2,-0.5 -0.275 27.5-146.4 -61.0 136.7 32.6 12.3 67.1 99 102 A V E -np 75 191C 0 91,-2.2 93,-2.5 -25,-0.2 -23,-0.2 -0.897 8.2-161.1-109.6 135.1 32.5 15.4 65.0 100 103 A A E -n 76 0C 2 -25,-2.2 -23,-1.9 -2,-0.5 2,-0.5 -0.864 6.7-156.1-116.2 95.5 29.8 16.3 62.5 101 104 A P E -n 77 0C 2 0, 0.0 2,-0.5 0, 0.0 93,-0.4 -0.610 21.0-161.5 -66.4 118.9 30.8 18.9 59.9 102 105 A T - 0 0 1 -25,-2.8 -23,-0.4 -2,-0.5 135,-0.1 -0.925 23.5-106.3-121.8 116.6 27.4 20.3 58.9 103 106 A N > - 0 0 36 -2,-0.5 3,-0.9 133,-0.2 -23,-0.1 -0.172 23.7-154.5 -42.5 121.6 26.8 22.2 55.7 104 107 A D T 3 S+ 0 0 18 -25,-0.3 -1,-0.1 1,-0.2 -24,-0.1 0.506 91.1 56.0 -80.3 -5.2 26.3 26.0 56.6 105 108 A I T 3 S+ 0 0 114 -26,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.336 79.1 121.2-110.1 3.9 24.3 26.8 53.5 106 109 A Y < - 0 0 44 -3,-0.9 2,-0.1 1,-0.1 -4,-0.0 -0.348 64.9-122.1 -56.1 146.0 21.6 24.0 54.3 107 110 A N > - 0 0 57 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.371 38.2 -88.3 -78.2 175.6 18.1 25.3 54.6 108 111 A E H > S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.881 127.0 47.5 -55.5 -44.4 16.3 24.7 57.9 109 112 A R H > S+ 0 0 151 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.920 113.6 47.9 -66.7 -43.8 14.8 21.3 56.8 110 113 A E H > S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.895 112.5 48.9 -61.8 -42.8 18.1 20.1 55.5 111 114 A L H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.947 111.1 49.9 -64.8 -45.9 19.9 21.2 58.7 112 115 A Y H X S+ 0 0 79 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.931 110.7 50.1 -58.3 -49.1 17.4 19.5 60.9 113 116 A N H X S+ 0 0 67 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.925 113.3 46.2 -58.1 -41.4 17.7 16.3 58.9 114 117 A S H X S+ 0 0 4 -4,-2.4 4,-2.2 1,-0.2 3,-0.5 0.938 115.7 44.0 -67.1 -45.7 21.5 16.4 59.3 115 118 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.782 106.7 61.0 -73.2 -27.1 21.5 17.2 63.0 116 119 A S H < S+ 0 0 31 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.812 109.6 43.5 -62.1 -34.6 18.8 14.6 63.6 117 120 A I H < S+ 0 0 48 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.921 119.5 40.0 -77.4 -47.2 21.2 12.0 62.3 118 121 A S H < S- 0 0 2 -4,-2.2 -2,-0.2 -5,-0.1 -3,-0.2 0.744 85.6-157.6 -80.5 -23.1 24.4 13.2 64.1 119 122 A Q < - 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