==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-APR-98 1BA3 . COMPND 2 MOLECULE: LUCIFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTINUS PYRALIS; . AUTHOR N.P.FRANKS,A.JENKINS,E.CONTI,W.R.LIEB,P.BRICK . 540 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22275.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 372 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 46 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 25.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 1 3 4 3 0 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 3 5 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 . 6 3 4 1 2 0 0 0 0 1 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 1 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 3 A D 0 0 111 0, 0.0 2,-3.1 0, 0.0 4,-0.0 0.000 360.0 360.0 360.0 -46.1 31.7 107.8 56.1 2 4 A A > + 0 0 68 1,-0.2 3,-1.9 2,-0.1 0, 0.0 -0.259 360.0 67.7 62.2 -59.7 32.2 104.9 53.7 3 5 A K T 3 S+ 0 0 75 -2,-3.1 -1,-0.2 1,-0.3 0, 0.0 0.584 89.0 69.4 -64.1 -10.8 32.5 102.2 56.4 4 6 A N T 3 S+ 0 0 38 2,-0.1 2,-0.6 374,-0.1 366,-0.4 0.378 83.5 82.2 -86.8 -1.6 28.8 102.9 57.1 5 7 A I S < S- 0 0 34 -3,-1.9 2,-0.4 364,-0.1 364,-0.2 -0.949 75.9-143.9-107.9 117.5 27.8 101.3 53.7 6 8 A K E -A 368 0A 20 362,-2.3 362,-2.4 -2,-0.6 2,-0.4 -0.717 17.7-164.3 -83.8 129.3 27.6 97.5 53.9 7 9 A K E -A 367 0A 107 -2,-0.4 360,-0.2 360,-0.2 355,-0.1 -0.890 19.8-120.1-115.9 144.1 28.8 95.8 50.7 8 10 A G - 0 0 14 358,-3.0 357,-0.3 355,-0.5 355,-0.2 -0.494 39.8-108.0 -74.9 151.8 28.3 92.2 49.6 9 11 A P - 0 0 73 0, 0.0 356,-0.5 0, 0.0 357,-0.2 0.045 47.6 -68.8 -71.3-176.3 31.5 90.2 49.1 10 12 A A - 0 0 88 354,-0.1 2,-0.0 1,-0.1 3,-0.0 -0.569 60.5-111.0 -72.6 137.1 33.0 89.2 45.7 11 13 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 207,-0.1 -0.341 11.0-134.2 -67.3 155.0 30.7 86.5 44.1 12 14 A F S S+ 0 0 140 1,-0.3 206,-0.1 205,-0.2 209,-0.0 0.838 100.8 41.9 -76.0 -34.9 32.1 82.9 43.9 13 15 A Y S S- 0 0 71 204,-0.2 -1,-0.3 3,-0.0 3,-0.1 -0.959 94.9-128.0-115.9 113.8 30.9 82.8 40.3 14 16 A P - 0 0 91 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.139 35.4 -90.2 -57.8 154.0 31.5 86.0 38.3 15 17 A L - 0 0 60 1,-0.1 2,-0.2 -4,-0.0 199,-0.1 -0.578 52.1-139.0 -65.2 123.3 28.7 87.6 36.4 16 18 A E - 0 0 77 -2,-0.4 7,-0.1 197,-0.3 200,-0.1 -0.569 13.5-104.8 -90.0 154.9 28.8 85.9 32.9 17 19 A D S S+ 0 0 151 -2,-0.2 -1,-0.1 5,-0.0 2,-0.1 -0.244 74.3 58.1 -70.0 163.4 28.3 87.5 29.6 18 20 A G S S- 0 0 22 166,-0.1 165,-0.1 4,-0.1 195,-0.1 -0.144 85.4 -67.0 101.2 160.2 25.1 87.1 27.6 19 21 A T > - 0 0 1 163,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.299 51.7-103.6 -75.7 168.5 21.4 87.8 28.0 20 22 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.879 124.6 52.4 -62.2 -37.0 19.4 85.8 30.6 21 23 A G H > S+ 0 0 0 73,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.867 108.9 49.7 -68.1 -35.3 18.0 83.7 27.7 22 24 A E H > S+ 0 0 51 2,-0.2 4,-2.6 72,-0.2 -2,-0.2 0.897 112.2 46.3 -69.9 -42.3 21.4 82.9 26.4 23 25 A Q H X S+ 0 0 17 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.893 115.6 46.9 -67.3 -38.2 22.7 81.8 29.8 24 26 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 -5,-0.2 5,-0.3 0.944 112.9 49.1 -66.9 -46.8 19.6 79.7 30.3 25 27 A H H X S+ 0 0 14 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.923 112.1 48.9 -57.6 -47.3 19.9 78.2 26.8 26 28 A K H X S+ 0 0 121 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.948 114.5 43.9 -59.6 -51.8 23.5 77.4 27.4 27 29 A A H X S+ 0 0 2 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.970 115.1 46.7 -59.5 -55.8 23.0 75.8 30.7 28 30 A M H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.801 105.7 60.9 -59.3 -31.5 19.9 73.7 29.8 29 31 A K H X S+ 0 0 64 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.935 104.0 48.2 -63.4 -45.4 21.5 72.5 26.5 30 32 A R H < S+ 0 0 97 -4,-1.5 -1,-0.2 -3,-0.4 4,-0.2 0.888 114.2 47.1 -63.7 -35.8 24.4 70.8 28.3 31 33 A Y H >< S+ 0 0 40 -4,-1.5 3,-1.9 1,-0.2 6,-0.3 0.898 106.1 58.5 -71.3 -38.7 21.9 69.1 30.7 32 34 A A H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 19,-0.3 -2,-0.2 0.796 96.3 64.4 -59.0 -29.9 19.6 68.1 27.8 33 35 A L T 3< S+ 0 0 111 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.587 90.7 71.6 -71.8 -11.1 22.6 66.2 26.4 34 36 A V S X S- 0 0 83 -3,-1.9 3,-1.6 -4,-0.2 18,-0.2 -0.896 88.5-135.0-109.7 99.9 22.5 63.9 29.4 35 37 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.226 85.3 25.6 -54.1 136.7 19.4 61.6 29.1 36 38 A G T 3 S+ 0 0 54 1,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.296 76.4 142.4 93.2 -11.8 17.4 61.2 32.2 37 39 A T < - 0 0 36 -3,-1.6 14,-2.8 -6,-0.3 2,-0.4 -0.548 48.3-135.7 -67.0 115.9 18.4 64.5 33.9 38 40 A I E +H 50 0B 42 -2,-0.5 12,-0.3 12,-0.3 3,-0.1 -0.623 30.6 173.6 -83.5 125.7 15.2 65.7 35.6 39 41 A A E S+ 0 0 0 10,-2.3 220,-2.5 -2,-0.4 2,-0.3 0.888 70.2 6.4 -91.5 -52.0 14.2 69.4 35.4 40 42 A F E -Hi 49 259B 0 9,-1.8 9,-2.7 218,-0.2 2,-0.4 -0.977 56.3-166.7-136.1 150.3 10.8 69.3 37.0 41 43 A T E -Hi 48 260B 0 218,-2.2 220,-3.1 -2,-0.3 2,-0.8 -0.996 17.9-141.8-137.2 124.8 8.7 66.8 38.9 42 44 A D E > - i 0 261B 8 5,-2.5 4,-2.0 -2,-0.4 5,-0.4 -0.832 9.9-159.9 -88.8 111.0 5.0 67.3 39.6 43 45 A A T 4 S+ 0 0 4 218,-2.3 -1,-0.2 -2,-0.8 219,-0.1 0.782 86.8 54.5 -62.4 -27.5 4.5 65.9 43.1 44 46 A H T 4 S+ 0 0 32 217,-0.4 -1,-0.2 1,-0.2 218,-0.1 0.902 123.8 21.6 -74.5 -45.2 0.7 65.5 42.6 45 47 A I T 4 S- 0 0 97 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.479 98.0-132.8-101.0 -6.4 0.8 63.4 39.4 46 48 A E < + 0 0 140 -4,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.564 53.0 148.0 66.5 13.3 4.3 62.1 39.9 47 49 A V - 0 0 71 -5,-0.4 -5,-2.5 -6,-0.0 2,-0.4 -0.598 33.7-153.0 -84.6 137.3 5.4 62.9 36.3 48 50 A N E -H 41 0B 63 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.863 4.6-162.5-108.2 141.8 9.0 63.9 35.6 49 51 A I E -H 40 0B 13 -9,-2.7 -10,-2.3 -2,-0.4 -9,-1.8 -0.997 17.8-138.3-126.3 124.6 10.1 66.0 32.7 50 52 A T E > -H 38 0B 26 -2,-0.5 4,-2.6 -12,-0.3 -12,-0.3 -0.311 22.5-110.8 -79.6 166.3 13.7 65.9 31.7 51 53 A Y H > S+ 0 0 0 -14,-2.8 4,-3.5 -17,-0.2 -19,-0.3 0.881 118.8 55.9 -62.1 -37.3 16.0 68.8 30.7 52 54 A A H > S+ 0 0 18 -15,-0.3 4,-2.5 -21,-0.3 5,-0.2 0.946 110.6 43.1 -60.1 -50.3 16.1 67.4 27.1 53 55 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.921 118.5 45.9 -61.3 -44.6 12.3 67.5 26.9 54 56 A Y H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.920 113.6 47.3 -64.9 -47.0 12.2 71.0 28.5 55 57 A F H X S+ 0 0 0 -4,-3.5 4,-2.6 2,-0.2 5,-0.2 0.937 113.7 48.5 -60.4 -48.9 15.1 72.4 26.4 56 58 A E H X S+ 0 0 64 -4,-2.5 4,-2.1 -5,-0.3 -2,-0.2 0.920 114.1 44.5 -61.5 -43.3 13.6 71.1 23.2 57 59 A M H X S+ 0 0 9 -4,-2.2 4,-2.3 -5,-0.2 -1,-0.2 0.903 114.2 49.3 -70.0 -39.1 10.1 72.4 23.9 58 60 A S H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.917 112.5 47.7 -65.6 -42.0 11.4 75.8 25.1 59 61 A V H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.881 111.6 51.1 -65.0 -39.4 13.6 76.2 22.0 60 62 A R H X S+ 0 0 69 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.884 110.7 48.3 -66.2 -38.1 10.7 75.2 19.8 61 63 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.853 109.5 53.2 -69.2 -37.2 8.5 77.8 21.5 62 64 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.967 114.1 41.3 -62.0 -51.4 11.1 80.5 21.1 63 65 A E H X S+ 0 0 17 -4,-2.4 4,-3.1 1,-0.2 5,-0.2 0.929 114.0 52.6 -63.0 -45.6 11.4 79.8 17.4 64 66 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.894 111.8 45.6 -58.7 -42.3 7.7 79.5 16.9 65 67 A M H X>S+ 0 0 0 -4,-2.4 5,-2.3 2,-0.2 4,-1.2 0.903 112.0 52.5 -68.0 -40.2 7.0 82.8 18.6 66 68 A K H ><5S+ 0 0 88 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.960 111.6 45.6 -58.2 -51.0 9.8 84.4 16.6 67 69 A R H 3<5S+ 0 0 145 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.792 107.6 59.2 -61.1 -33.7 8.3 83.1 13.3 68 70 A Y H 3<5S- 0 0 66 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.742 126.7 -97.2 -67.7 -27.4 4.8 84.3 14.5 69 71 A G T <<5S+ 0 0 37 -4,-1.2 2,-0.3 -3,-1.0 -3,-0.2 0.534 74.4 138.4 122.7 9.5 6.2 87.8 14.8 70 72 A L < + 0 0 7 -5,-2.3 -1,-0.3 2,-0.1 2,-0.2 -0.679 16.3 145.0 -90.9 142.7 7.2 88.5 18.4 71 73 A N > - 0 0 66 -2,-0.3 3,-2.5 26,-0.1 28,-0.3 -0.812 68.4 -53.6-152.7-169.9 10.4 90.3 19.2 72 74 A T T 3 S+ 0 0 76 1,-0.3 118,-0.2 -2,-0.2 27,-0.1 0.544 126.9 66.4 -55.2 -10.6 11.6 92.8 21.9 73 75 A N T 3 S+ 0 0 123 25,-0.0 -1,-0.3 2,-0.0 2,-0.3 0.338 97.7 70.1 -91.5 4.5 8.6 95.1 21.1 74 76 A H < - 0 0 45 -3,-2.5 25,-1.7 23,-0.2 2,-0.3 -0.806 60.1-160.8-122.9 163.4 6.2 92.5 22.5 75 77 A R E -n 99 0C 65 45,-0.3 47,-2.6 -2,-0.3 48,-1.0 -0.951 6.3-156.3-139.1 149.9 5.3 90.9 25.8 76 78 A I E -no 100 123C 0 23,-2.6 25,-2.8 -2,-0.3 2,-0.4 -0.915 10.4-138.2-125.6 156.7 3.5 87.7 26.7 77 79 A V E -no 101 124C 0 46,-1.8 48,-3.2 -2,-0.3 2,-0.5 -0.926 6.9-161.0-115.6 139.0 1.5 86.8 29.7 78 80 A V E +no 102 125C 0 23,-1.1 25,-2.0 -2,-0.4 2,-0.6 -0.981 13.3 178.6-120.0 108.9 1.8 83.4 31.4 79 81 A C E + o 0 126C 1 46,-2.7 48,-1.7 -2,-0.5 2,-0.3 -0.914 28.7 114.6-116.5 104.3 -1.2 82.7 33.6 80 82 A S - 0 0 1 -2,-0.6 25,-0.4 23,-0.4 161,-0.2 -0.987 62.8-106.4-164.9 155.0 -1.1 79.4 35.3 81 83 A E S S- 0 0 29 -2,-0.3 5,-0.2 1,-0.2 182,-0.1 -0.354 71.3 -65.8 -74.7 165.5 -0.9 77.6 38.6 82 84 A N S S+ 0 0 8 180,-0.1 2,-0.3 181,-0.1 -1,-0.2 -0.346 80.0 147.6 -56.1 134.4 2.5 75.9 39.2 83 85 A S - 0 0 9 -3,-0.1 4,-0.4 179,-0.1 3,-0.2 -0.962 64.0 -97.7-159.6 173.8 2.9 73.2 36.6 84 86 A L S S+ 0 0 10 -2,-0.3 3,-0.2 1,-0.2 4,-0.1 0.737 122.7 49.5 -71.4 -24.6 5.4 71.3 34.5 85 87 A Q S > S+ 0 0 44 1,-0.1 3,-1.7 2,-0.1 -1,-0.2 0.675 83.5 94.4 -88.1 -20.0 4.4 73.5 31.6 86 88 A F T 3> S+ 0 0 0 1,-0.3 4,-0.7 -3,-0.2 -1,-0.1 0.833 88.0 40.9 -40.0 -55.6 4.8 76.9 33.4 87 89 A F H 3> S+ 0 0 0 -4,-0.4 4,-3.0 1,-0.2 5,-0.3 0.582 93.1 84.7 -78.5 -6.6 8.4 77.6 32.4 88 90 A M H <> S+ 0 0 0 -3,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.974 99.7 34.7 -60.3 -56.0 8.2 76.5 28.8 89 91 A P H > S+ 0 0 0 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.861 116.4 58.1 -68.0 -29.0 6.8 79.8 27.4 90 92 A V H X S+ 0 0 0 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.960 111.6 39.4 -61.3 -52.9 8.9 81.7 30.0 91 93 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.918 113.1 56.1 -64.6 -44.4 12.2 80.2 28.7 92 94 A G H X S+ 0 0 0 -4,-2.4 4,-1.0 -5,-0.3 -1,-0.2 0.905 110.4 44.9 -54.3 -45.3 11.0 80.5 25.0 93 95 A A H X>S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 4,-0.8 0.900 111.5 51.6 -66.8 -43.6 10.4 84.2 25.4 94 96 A L H <5S+ 0 0 0 -4,-2.2 -73,-0.5 1,-0.2 3,-0.4 0.833 103.7 60.4 -62.8 -32.1 13.6 84.9 27.2 95 97 A F H <5S+ 0 0 0 -4,-2.2 87,-2.1 1,-0.2 -1,-0.2 0.847 116.6 31.2 -63.8 -34.4 15.4 83.0 24.4 96 98 A I H <5S- 0 0 5 -4,-1.0 -1,-0.2 -3,-0.5 -24,-0.2 0.329 115.5-106.7-107.7 7.7 14.1 85.6 21.9 97 99 A G T <5 + 0 0 1 -4,-0.8 2,-0.4 -3,-0.4 -3,-0.2 0.731 66.7 146.8 78.1 20.1 14.0 88.7 24.1 98 100 A V < - 0 0 0 -5,-2.5 -1,-0.3 -6,-0.1 2,-0.3 -0.781 52.9-114.6 -89.2 132.5 10.2 88.9 24.5 99 101 A A E -n 75 0C 8 -25,-1.7 -23,-2.6 -2,-0.4 2,-0.5 -0.529 25.2-143.6 -71.5 132.4 9.2 90.2 27.9 100 102 A V E -np 76 192C 0 91,-2.9 93,-2.6 -2,-0.3 -23,-0.2 -0.852 13.1-170.5-101.8 126.1 7.3 87.8 30.2 101 103 A A E -n 77 0C 3 -25,-2.8 -23,-1.1 -2,-0.5 2,-0.4 -0.866 12.2-153.3-119.0 94.6 4.5 89.0 32.5 102 104 A P E -n 78 0C 1 0, 0.0 2,-0.5 0, 0.0 93,-0.3 -0.541 10.4-151.7 -68.4 120.5 3.4 86.3 35.0 103 105 A A - 0 0 0 -25,-2.0 -23,-0.4 -2,-0.4 2,-0.2 -0.850 23.4-110.2-101.5 126.4 -0.2 86.9 36.0 104 106 A N > - 0 0 36 -2,-0.5 3,-1.7 1,-0.2 -23,-0.1 -0.326 24.3-146.9 -54.9 117.2 -1.3 85.7 39.4 105 107 A D T 3 S+ 0 0 35 -25,-0.4 -1,-0.2 1,-0.3 -24,-0.1 0.509 94.8 52.9 -66.7 -11.7 -3.7 82.7 38.7 106 108 A I T 3 S+ 0 0 136 -26,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.115 79.9 122.4-107.5 15.4 -5.9 83.4 41.7 107 109 A Y < - 0 0 24 -3,-1.7 2,-0.1 4,-0.1 -4,-0.0 -0.559 65.7-126.6 -72.0 139.9 -6.5 87.0 40.7 108 110 A N > - 0 0 92 -2,-0.2 4,-2.5 1,-0.1 3,-0.5 -0.488 39.4 -88.9 -80.0 166.9 -10.2 87.7 40.2 109 111 A E H > S+ 0 0 87 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.778 128.5 55.9 -48.8 -29.4 -11.0 89.1 36.8 110 112 A R H > S+ 0 0 68 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.939 111.2 39.9 -70.4 -48.2 -10.5 92.7 38.2 111 113 A E H > S+ 0 0 81 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.840 115.5 54.9 -68.4 -33.6 -6.9 92.1 39.4 112 114 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 5,-0.3 0.953 107.9 48.3 -63.3 -49.3 -6.3 90.1 36.3 113 115 A L H X S+ 0 0 50 -4,-2.4 4,-2.3 -5,-0.2 5,-0.2 0.927 109.8 52.2 -57.3 -49.3 -7.4 93.0 34.1 114 116 A N H X S+ 0 0 29 -4,-2.2 4,-1.4 1,-0.2 -1,-0.2 0.932 110.7 47.9 -54.6 -47.9 -5.2 95.5 36.0 115 117 A S H X S+ 0 0 3 -4,-2.1 4,-2.4 1,-0.2 3,-0.3 0.926 116.7 40.4 -60.0 -50.3 -2.1 93.4 35.6 116 118 A M H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.738 107.0 63.7 -73.8 -22.0 -2.5 92.7 31.9 117 119 A N H < S+ 0 0 86 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.867 110.6 40.6 -68.6 -32.5 -3.6 96.3 31.3 118 120 A I H < S+ 0 0 33 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.926 118.9 43.9 -79.2 -47.2 -0.1 97.2 32.5 119 121 A S H < S- 0 0 1 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.733 84.2-160.1 -72.1 -25.1 1.7 94.4 30.7 120 122 A Q < - 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