==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 13-JUL-12 4G37 . COMPND 2 MOLECULE: LUCIFERIN 4-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTINUS PYRALIS; . AUTHOR J.A.SUNDLOV,B.R.BRANCHINI,A.M.GULICK . 1072 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 94 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 148 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 80 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 267 24.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 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 1 4 2 0 9 7 4 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 6 10 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 PARALLEL BRIDGES PER LADDER . 11 6 4 4 4 2 0 0 0 2 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 2 0 1 3 2 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 0 110 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.8 33.7 -57.6 35.0 2 5 A K T 3 + 0 0 80 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.712 360.0 54.7 -76.4 -18.6 35.0 -56.5 31.6 3 6 A N T 3 S+ 0 0 65 2,-0.1 2,-0.6 373,-0.1 363,-0.4 0.388 91.5 82.8 -96.2 0.8 36.5 -59.9 31.1 4 7 A I S < S- 0 0 31 -3,-0.7 2,-0.4 361,-0.1 361,-0.2 -0.944 73.0-149.1-102.1 120.7 33.2 -61.7 31.7 5 8 A K E -A 364 0A 21 359,-2.4 359,-2.8 -2,-0.6 2,-0.4 -0.770 18.2-169.9 -88.3 130.7 31.1 -61.7 28.5 6 9 A K E -A 363 0A 90 -2,-0.4 357,-0.2 357,-0.2 352,-0.1 -0.933 22.2-115.8-123.3 143.1 27.3 -61.7 29.1 7 10 A G - 0 0 18 355,-2.4 354,-0.2 352,-0.5 352,-0.2 -0.296 36.9-111.0 -62.6 157.4 24.3 -62.2 26.9 8 11 A P - 0 0 52 0, 0.0 353,-0.4 0, 0.0 354,-0.2 -0.375 47.8 -74.8 -79.3 172.4 22.0 -59.3 26.4 9 12 A A - 0 0 62 351,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.418 69.8 -85.5 -61.4 146.2 18.5 -59.2 27.8 10 13 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.198 24.3-151.0 -64.8 147.0 16.2 -61.5 25.7 11 14 A F S S+ 0 0 37 1,-0.2 203,-0.1 202,-0.1 -2,-0.1 0.598 96.7 43.0 -92.2 -17.2 14.6 -60.2 22.6 12 15 A Y S S- 0 0 10 201,-0.1 -1,-0.2 205,-0.1 205,-0.1 -0.996 103.4-118.3-122.5 125.6 11.8 -62.7 23.1 13 16 A P - 0 0 6 0, 0.0 2,-0.2 0, 0.0 541,-0.1 -0.122 24.9 -99.4 -67.7 156.4 10.7 -62.8 26.8 14 17 A L - 0 0 58 539,-0.1 2,-0.3 -4,-0.1 196,-0.1 -0.544 43.4-135.5 -65.1 134.8 10.9 -65.8 29.1 15 18 A E - 0 0 15 194,-0.3 7,-0.1 -2,-0.2 198,-0.1 -0.704 14.9-110.3 -98.9 148.7 7.5 -67.4 29.3 16 19 A D S S+ 0 0 123 -2,-0.3 -1,-0.1 5,-0.1 532,-0.0 -0.328 71.0 27.4 -69.3 154.1 5.7 -68.7 32.5 17 20 A G S S- 0 0 27 4,-0.1 -2,-0.1 -2,-0.0 165,-0.1 0.011 93.8 -38.2 91.6 170.0 5.1 -72.3 33.4 18 21 A T > - 0 0 1 163,-0.2 4,-2.0 1,-0.1 5,-0.1 -0.045 56.2-110.6 -64.5 168.4 6.6 -75.7 32.6 19 22 A A H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.848 121.3 56.1 -70.6 -30.9 8.1 -76.5 29.2 20 23 A G H > S+ 0 0 0 73,-0.4 4,-3.1 2,-0.2 5,-0.2 0.940 107.0 48.1 -60.8 -50.4 5.1 -78.9 28.8 21 24 A E H > S+ 0 0 52 160,-0.3 4,-3.3 1,-0.2 5,-0.2 0.918 113.1 48.4 -53.7 -47.8 2.6 -76.1 29.4 22 25 A Q H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.908 114.1 45.3 -64.4 -41.7 4.4 -73.8 27.0 23 26 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.941 116.7 45.6 -66.2 -44.7 4.6 -76.5 24.3 24 27 A H H X S+ 0 0 14 -4,-3.1 4,-2.9 2,-0.2 5,-0.3 0.942 110.7 52.1 -64.2 -49.9 0.9 -77.5 24.8 25 28 A K H X S+ 0 0 45 -4,-3.3 4,-0.7 -5,-0.2 -1,-0.2 0.908 116.0 42.1 -53.8 -43.3 -0.3 -73.9 24.9 26 29 A A H X S+ 0 0 5 -4,-1.9 4,-1.8 -5,-0.2 3,-0.3 0.898 115.8 45.1 -75.2 -41.5 1.5 -73.2 21.6 27 30 A M H X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.847 105.0 61.7 -75.0 -31.6 0.6 -76.4 19.7 28 31 A K H < S+ 0 0 61 -4,-2.9 -1,-0.2 -5,-0.3 4,-0.2 0.832 107.5 48.4 -56.5 -30.6 -3.0 -76.3 20.8 29 32 A R H >< S+ 0 0 30 -4,-0.7 3,-1.8 -3,-0.3 4,-0.3 0.952 111.2 45.4 -75.4 -53.1 -3.0 -73.0 18.9 30 33 A Y H >< S+ 0 0 8 -4,-1.8 3,-1.3 1,-0.3 6,-0.3 0.811 105.3 65.4 -58.7 -30.9 -1.4 -74.3 15.7 31 34 A A T 3< S+ 0 0 9 -4,-2.4 -1,-0.3 19,-0.3 -2,-0.2 0.594 98.8 52.4 -70.3 -13.7 -3.7 -77.3 15.9 32 35 A L T < S+ 0 0 110 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.469 89.6 86.8-101.8 -4.9 -6.7 -75.0 15.3 33 36 A V S X S- 0 0 77 -3,-1.3 3,-1.5 -4,-0.3 17,-0.2 -0.869 89.0-119.1-100.4 105.9 -5.2 -73.4 12.2 34 37 A P T 3 S+ 0 0 122 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.023 86.8 9.1 -49.4 136.6 -6.1 -75.6 9.3 35 38 A G T 3 S+ 0 0 65 1,-0.2 2,-0.5 -4,-0.1 -4,-0.1 0.560 79.7 150.3 71.1 10.4 -3.4 -77.3 7.2 36 39 A T < - 0 0 38 -3,-1.5 14,-3.0 -6,-0.3 15,-0.5 -0.660 34.9-150.9 -73.3 121.0 -0.5 -76.4 9.5 37 40 A I E -H 49 0B 32 -2,-0.5 12,-0.3 12,-0.3 3,-0.1 -0.808 19.1-175.9 -98.4 135.6 2.0 -79.1 9.1 38 41 A A E + 0 0 0 10,-2.8 217,-2.9 -2,-0.4 2,-0.4 0.867 69.7 16.0 -93.3 -48.7 4.3 -80.0 12.0 39 42 A F E -Hi 48 255B 0 9,-1.5 9,-2.2 215,-0.2 2,-0.4 -0.984 57.7-171.8-131.6 139.4 6.6 -82.7 10.5 40 43 A T E -Hi 47 256B 0 215,-2.8 217,-3.5 -2,-0.4 2,-0.7 -0.998 17.5-145.8-127.9 128.8 7.4 -83.8 7.0 41 44 A D E >> -Hi 46 257B 12 5,-2.3 5,-1.0 -2,-0.4 4,-0.8 -0.857 11.8-162.1 -83.8 117.3 9.4 -86.8 6.0 42 45 A A T 45S+ 0 0 10 215,-2.4 -1,-0.1 -2,-0.7 216,-0.1 0.816 83.3 59.0 -73.9 -29.0 11.2 -85.6 2.8 43 46 A H T 45S+ 0 0 77 214,-0.4 -1,-0.2 1,-0.2 215,-0.1 0.940 119.4 22.9 -61.5 -51.2 12.0 -89.2 1.7 44 47 A I T 45S- 0 0 108 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.281 99.9-119.7-107.9 9.1 8.4 -90.6 1.5 45 48 A E T <5 + 0 0 127 -4,-0.8 2,-0.5 1,-0.2 -3,-0.2 0.872 61.8 145.9 56.2 41.6 6.3 -87.4 1.1 46 49 A V E < -H 41 0B 62 -5,-1.0 -5,-2.3 2,-0.0 2,-0.3 -0.936 27.2-168.3-114.8 130.6 4.3 -87.9 4.3 47 50 A N E -H 40 0B 65 -2,-0.5 2,-0.4 -7,-0.2 -7,-0.2 -0.840 13.0-158.2-114.8 150.8 3.1 -85.1 6.5 48 51 A I E -H 39 0B 9 -9,-2.2 -10,-2.8 -2,-0.3 -9,-1.5 -0.997 22.9-134.8-122.7 126.9 1.6 -84.8 10.0 49 52 A T E > -H 37 0B 46 -2,-0.4 4,-3.0 -12,-0.3 -12,-0.3 -0.288 20.1-116.8 -71.1 160.1 -0.4 -81.8 10.8 50 53 A Y H > S+ 0 0 1 -14,-3.0 4,-3.6 2,-0.2 5,-0.3 0.887 117.9 57.4 -58.5 -42.3 -0.1 -79.8 14.0 51 54 A A H > S+ 0 0 26 -15,-0.5 4,-2.3 -21,-0.3 -1,-0.2 0.953 111.9 39.9 -53.2 -52.8 -3.7 -80.8 14.8 52 55 A E H > S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.931 116.6 49.8 -64.0 -47.6 -2.8 -84.5 14.5 53 56 A Y H X S+ 0 0 0 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.914 113.3 46.7 -58.1 -43.7 0.5 -84.1 16.3 54 57 A F H X S+ 0 0 0 -4,-3.6 4,-1.7 1,-0.2 -1,-0.2 0.884 112.9 49.2 -66.9 -40.0 -1.1 -82.2 19.1 55 58 A E H X S+ 0 0 50 -4,-2.3 4,-3.1 -5,-0.3 5,-0.2 0.929 112.3 46.7 -67.9 -44.8 -4.0 -84.7 19.4 56 59 A M H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.849 111.8 50.8 -67.9 -33.2 -1.7 -87.7 19.5 57 60 A S H X S+ 0 0 0 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.853 112.9 46.7 -73.2 -33.7 0.7 -86.1 22.0 58 61 A V H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 5,-0.3 0.941 110.0 51.5 -71.7 -50.2 -2.3 -85.3 24.3 59 62 A R H X S+ 0 0 52 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.918 112.4 50.3 -49.0 -41.6 -3.8 -88.8 23.9 60 63 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.2 -2,-0.2 0.885 108.4 49.5 -67.0 -41.2 -0.3 -90.0 24.9 61 64 A A H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.913 114.2 44.0 -65.8 -44.5 -0.0 -87.8 28.0 62 65 A E H X S+ 0 0 17 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.949 113.5 51.4 -66.4 -48.9 -3.4 -88.7 29.4 63 66 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 -5,-0.3 -2,-0.2 0.907 113.1 45.5 -50.0 -47.8 -2.9 -92.5 28.6 64 67 A M H X>S+ 0 0 0 -4,-2.3 5,-2.2 2,-0.2 4,-1.0 0.886 112.1 51.7 -65.9 -38.7 0.5 -92.3 30.4 65 68 A K H <5S+ 0 0 87 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.909 113.6 43.9 -64.6 -40.0 -1.1 -90.4 33.3 66 69 A R H <5S+ 0 0 133 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.817 104.4 63.3 -75.4 -29.1 -3.8 -93.1 33.6 67 70 A Y H <5S- 0 0 67 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.766 127.4 -99.4 -64.5 -24.2 -1.2 -95.8 33.2 68 71 A G T <5S+ 0 0 40 -4,-1.0 2,-0.2 -3,-0.4 -3,-0.2 0.359 73.4 144.0 125.1 -2.6 0.2 -94.5 36.5 69 72 A L < + 0 0 8 -5,-2.2 -1,-0.3 2,-0.1 2,-0.2 -0.462 15.8 154.2 -74.5 135.0 3.1 -92.3 35.4 70 73 A N > - 0 0 65 -2,-0.2 3,-1.9 26,-0.1 25,-0.1 -0.656 62.4 -61.9-137.6-162.9 3.9 -89.1 37.3 71 74 A T T 3 S+ 0 0 70 1,-0.3 118,-0.2 -2,-0.2 27,-0.2 0.638 124.6 66.4 -66.2 -12.5 6.9 -86.8 38.1 72 75 A N T 3 S+ 0 0 109 25,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.436 96.2 72.6 -84.8 0.8 8.7 -89.7 39.9 73 76 A H < - 0 0 52 -3,-1.9 25,-1.6 23,-0.2 2,-0.3 -0.717 59.8-156.0-120.4 166.3 9.0 -91.7 36.6 74 77 A R E -p 98 0C 100 45,-0.4 47,-2.3 -2,-0.2 48,-1.0 -0.888 4.3-158.6-130.6 158.6 11.0 -91.7 33.4 75 78 A I E -pq 99 122C 0 23,-2.6 25,-2.4 -2,-0.3 2,-0.4 -0.923 11.6-136.6-128.5 166.7 10.5 -93.0 30.0 76 79 A V E -pq 100 123C 1 46,-1.5 48,-3.3 -2,-0.3 2,-0.5 -0.931 5.5-162.2-116.3 143.4 12.9 -93.9 27.1 77 80 A V E +pq 101 124C 0 23,-0.9 25,-2.2 -2,-0.4 2,-0.6 -0.964 14.3 179.6-119.9 107.5 12.4 -93.0 23.5 78 81 A S E +pq 102 125C 6 46,-3.3 48,-1.5 -2,-0.5 2,-0.3 -0.917 29.5 116.9-112.1 105.7 14.7 -95.2 21.5 79 82 A S - 0 0 0 23,-0.7 25,-0.3 -2,-0.6 3,-0.1 -0.930 61.5-108.8-170.1 139.7 14.3 -94.5 17.8 80 83 A E S S- 0 0 55 -2,-0.3 5,-0.1 1,-0.2 2,-0.0 -0.168 70.1 -64.6 -58.1 163.1 15.9 -93.3 14.6 81 84 A N S S+ 0 0 20 178,-0.1 2,-0.3 152,-0.1 -1,-0.2 -0.354 78.7 147.5 -55.8 127.9 14.7 -89.9 13.4 82 85 A S > - 0 0 13 -3,-0.1 3,-1.8 -2,-0.0 4,-0.4 -0.988 62.3-100.5-159.8 161.3 11.1 -90.2 12.4 83 86 A L T 3 S+ 0 0 6 -2,-0.3 3,-0.1 1,-0.3 4,-0.1 0.654 120.8 49.0 -54.3 -19.9 7.7 -88.4 12.2 84 87 A Q T > S+ 0 0 42 1,-0.1 3,-1.3 2,-0.1 -1,-0.3 0.531 82.4 96.7-100.8 -10.0 6.5 -90.1 15.4 85 88 A F T <> S+ 0 0 0 -3,-1.8 4,-0.8 1,-0.3 -2,-0.1 0.897 83.1 47.1 -53.3 -48.5 9.6 -89.4 17.4 86 89 A F H 3> S+ 0 0 0 -4,-0.4 4,-3.2 1,-0.2 5,-0.4 0.682 90.4 83.5 -72.7 -13.4 8.3 -86.3 19.2 87 90 A M H <> S+ 0 0 0 -3,-1.3 4,-2.4 1,-0.2 -1,-0.2 0.941 97.7 36.9 -59.1 -53.8 4.9 -87.8 20.2 88 91 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.865 116.8 55.6 -66.8 -30.1 6.0 -89.6 23.3 89 92 A V H X S+ 0 0 0 -4,-0.8 4,-2.4 2,-0.2 -2,-0.2 0.970 112.8 39.9 -60.0 -57.9 8.4 -86.7 24.1 90 93 A L H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.906 115.0 54.9 -54.3 -45.3 5.7 -84.1 24.0 91 94 A G H X S+ 0 0 0 -4,-2.4 4,-0.6 -5,-0.4 -2,-0.2 0.927 110.8 43.2 -57.5 -47.9 3.3 -86.4 25.8 92 95 A A H >X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-0.9 0.874 111.3 55.1 -68.7 -37.1 5.7 -87.0 28.7 93 96 A L H ><5S+ 0 0 0 -4,-2.4 3,-0.5 1,-0.2 -73,-0.4 0.876 99.0 62.0 -62.7 -38.2 6.5 -83.3 28.9 94 97 A F H 3<5S+ 0 0 0 -4,-2.3 87,-2.7 1,-0.2 -1,-0.2 0.754 116.1 31.7 -58.8 -23.8 2.8 -82.4 29.2 95 98 A I H <<5S- 0 0 4 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.428 114.4-105.5-120.3 2.1 2.7 -84.4 32.5 96 99 A G T <<5 + 0 0 0 -4,-0.9 2,-0.6 -3,-0.5 -3,-0.2 0.748 66.2 146.7 84.1 24.5 6.2 -84.0 33.9 97 100 A V < - 0 0 0 -5,-2.4 -1,-0.3 -6,-0.1 -23,-0.2 -0.853 52.8-116.5 -92.2 123.8 7.5 -87.4 33.2 98 101 A A E -p 74 0C 4 -25,-1.6 -23,-2.6 -2,-0.6 2,-0.5 -0.394 23.9-143.6 -63.8 129.3 11.3 -87.3 32.4 99 102 A V E -pr 75 191C 0 91,-2.6 93,-2.5 -25,-0.2 -23,-0.2 -0.846 13.1-170.3 -96.9 131.1 12.2 -88.3 28.9 100 103 A A E -p 76 0C 3 -25,-2.4 -23,-0.9 -2,-0.5 2,-0.2 -0.861 13.0-154.3-119.8 93.1 15.5 -90.2 28.3 101 104 A P E -p 77 0C 1 0, 0.0 2,-0.4 0, 0.0 93,-0.4 -0.468 7.3-148.7 -74.7 134.9 16.3 -90.5 24.6 102 105 A A E -p 78 0C 0 -25,-2.2 -23,-0.7 -2,-0.2 2,-0.4 -0.854 21.0-112.8-105.2 137.9 18.4 -93.5 23.7 103 106 A N > - 0 0 30 -2,-0.4 3,-1.4 1,-0.2 -23,-0.1 -0.539 19.0-144.8 -65.8 121.1 20.8 -93.3 20.8 104 107 A D T 3 S+ 0 0 60 -2,-0.4 -1,-0.2 -25,-0.3 -24,-0.1 0.677 98.7 61.9 -65.3 -13.1 19.4 -95.8 18.2 105 108 A C T 3 S+ 0 0 76 2,-0.0 -1,-0.2 395,-0.0 397,-0.1 0.690 79.7 117.1 -80.9 -22.8 23.1 -96.6 17.3 106 109 A Y < - 0 0 24 -3,-1.4 2,-0.1 1,-0.1 -4,-0.0 -0.065 60.0-134.9 -43.6 138.8 23.8 -98.0 20.8 107 110 A N > - 0 0 44 1,-0.0 4,-2.2 393,-0.0 5,-0.2 -0.336 37.3 -91.0 -81.7-179.4 24.8 -101.6 21.4 108 111 A E H > S+ 0 0 72 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.871 124.5 50.6 -64.7 -38.4 23.2 -103.6 24.1 109 112 A R H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.943 114.3 42.5 -64.7 -49.8 25.9 -102.8 26.7 110 113 A E H > S+ 0 0 47 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.885 117.3 48.6 -60.7 -41.2 25.8 -99.0 26.2 111 114 A L H X S+ 0 0 3 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.865 109.4 52.2 -68.3 -39.0 22.0 -99.2 26.1 112 115 A L H X S+ 0 0 28 -4,-2.3 4,-1.3 -5,-0.2 -2,-0.2 0.910 113.3 44.6 -65.8 -40.3 21.9 -101.2 29.2 113 116 A N H X S+ 0 0 87 -4,-2.2 4,-1.1 2,-0.2 -2,-0.2 0.833 109.6 54.3 -76.1 -32.8 24.0 -98.7 31.0 114 117 A S H >X S+ 0 0 6 -4,-2.4 4,-2.0 1,-0.2 3,-0.6 0.956 116.2 39.2 -57.9 -49.9 22.2 -95.7 29.7 115 118 A M H 3X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.691 104.2 67.4 -80.7 -17.5 18.9 -97.1 31.0 116 119 A N H 3< S+ 0 0 71 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.841 110.1 39.7 -63.4 -33.4 20.6 -98.4 34.1 117 120 A I H << S+ 0 0 37 -4,-1.1 -2,-0.2 -3,-0.6 -1,-0.2 0.903 117.8 45.0 -78.1 -47.9 21.0 -94.7 34.9 118 121 A S H < S- 0 0 2 -4,-2.0 -2,-0.2 -5,-0.1 -3,-0.2 0.769 84.1-158.4 -76.0 -26.3 17.6 -93.4 33.6 119 122 A Q < - 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