==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-JUL-09 3IEP . COMPND 2 MOLECULE: LUCIFERIN 4-MONOOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTINUS PYRALIS; . AUTHOR S.LOVELL,K.P.BATTAILE,D.S.AULD,N.THORNE,W.A.LEA,D.J.MALONEY, . 428 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 68.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 9.3 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 . 4 0.9 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 . 1 0.2 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 . 28 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 109 25.5 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 1 0 0 2 1 3 1 2 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 3 A D > 0 0 139 0, 0.0 3,-3.3 0, 0.0 4,-0.2 0.000 360.0 360.0 360.0 97.9 42.5 -14.3 -16.6 2 4 A A G > + 0 0 66 1,-0.3 3,-1.5 2,-0.2 0, 0.0 0.721 360.0 74.2 -52.3 -23.2 44.6 -12.0 -14.3 3 5 A K G 3 S+ 0 0 110 1,-0.3 -1,-0.3 3,-0.1 0, 0.0 0.706 94.4 50.8 -65.3 -23.4 45.9 -10.5 -17.5 4 6 A N G < S+ 0 0 34 -3,-3.3 2,-0.6 2,-0.1 364,-0.4 0.241 93.0 83.2 -97.5 4.0 42.5 -8.8 -18.0 5 7 A I S < S- 0 0 27 -3,-1.5 2,-0.4 -4,-0.2 362,-0.2 -0.974 76.1-143.9-105.4 114.5 42.4 -7.3 -14.5 6 8 A K E -A 366 0A 14 360,-2.9 360,-2.7 -2,-0.6 2,-0.4 -0.689 18.9-163.7 -83.0 128.9 44.4 -4.1 -14.5 7 9 A K E -A 365 0A 98 -2,-0.4 358,-0.2 358,-0.2 353,-0.1 -0.887 17.9-121.9-118.3 137.1 46.3 -3.6 -11.2 8 10 A G - 0 0 17 356,-2.9 355,-0.3 353,-0.4 353,-0.2 -0.451 36.0-113.3 -66.2 150.4 47.8 -0.5 -9.8 9 11 A P - 0 0 66 0, 0.0 354,-0.5 0, 0.0 355,-0.2 -0.182 43.7 -73.8 -72.7 175.9 51.5 -0.7 -9.1 10 12 A A - 0 0 86 352,-0.1 2,-0.1 1,-0.1 3,-0.0 -0.427 58.8-102.6 -65.0 145.1 53.1 -0.6 -5.6 11 13 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 205,-0.1 -0.428 19.6-125.9 -70.9 151.2 53.1 2.9 -4.1 12 14 A F S S+ 0 0 132 1,-0.2 204,-0.1 203,-0.1 207,-0.1 0.973 104.5 36.0 -57.8 -53.0 56.3 4.8 -4.2 13 15 A Y S S- 0 0 121 202,-0.2 -1,-0.2 1,-0.0 3,-0.1 -0.903 100.6-111.5-102.2 129.6 56.0 5.2 -0.4 14 16 A P - 0 0 106 0, 0.0 2,-0.5 0, 0.0 -2,-0.1 -0.058 46.0 -87.2 -50.0 150.2 54.4 2.4 1.7 15 17 A L - 0 0 52 1,-0.1 197,-0.1 -4,-0.1 196,-0.0 -0.534 48.5-128.0 -67.3 119.3 51.0 3.1 3.1 16 18 A E - 0 0 81 -2,-0.5 -1,-0.1 195,-0.2 7,-0.1 -0.287 17.6-121.3 -66.3 148.0 51.5 4.8 6.5 17 19 A D + 0 0 145 5,-0.0 -1,-0.1 6,-0.0 2,-0.0 -0.292 66.9 63.5 -78.1 173.9 49.8 3.5 9.7 18 20 A G S S- 0 0 21 4,-0.1 165,-0.1 166,-0.1 193,-0.1 -0.052 86.9 -63.2 94.6 161.0 47.5 5.6 11.7 19 21 A T > - 0 0 1 163,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.191 51.9-103.1 -69.9 171.2 44.1 7.3 11.2 20 22 A A H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.883 125.0 52.7 -62.4 -38.7 43.7 10.1 8.6 21 23 A G H > S+ 0 0 0 73,-0.5 4,-2.5 2,-0.2 5,-0.2 0.903 107.4 50.0 -64.8 -41.2 43.7 12.6 11.5 22 24 A E H > S+ 0 0 53 160,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.885 112.7 47.7 -64.0 -38.3 47.0 11.2 12.9 23 25 A Q H X S+ 0 0 5 -4,-1.9 4,-1.9 2,-0.2 5,-0.2 0.925 114.1 44.6 -71.5 -42.5 48.6 11.4 9.5 24 26 A L H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.882 113.7 52.6 -65.3 -40.9 47.4 15.0 8.8 25 27 A H H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.930 109.8 48.0 -58.4 -47.7 48.4 16.0 12.4 26 28 A K H X S+ 0 0 125 -4,-2.0 4,-1.5 -5,-0.2 -2,-0.2 0.929 115.6 42.1 -65.6 -46.8 51.8 14.7 12.0 27 29 A A H X S+ 0 0 3 -4,-1.9 4,-1.8 1,-0.2 -1,-0.2 0.935 116.3 48.3 -64.1 -47.5 52.5 16.4 8.7 28 30 A M H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.841 106.0 57.0 -68.4 -29.8 50.9 19.7 9.6 29 31 A K H X S+ 0 0 61 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.925 106.6 51.7 -63.8 -44.5 52.8 19.9 13.0 30 32 A R H < S+ 0 0 125 -4,-1.5 3,-0.5 -5,-0.2 4,-0.2 0.938 112.5 42.7 -56.9 -47.0 56.0 19.6 11.0 31 33 A Y H >< S+ 0 0 31 -4,-1.8 3,-1.6 1,-0.2 6,-0.3 0.864 108.1 62.0 -72.2 -32.0 55.1 22.5 8.6 32 34 A A H 3< S+ 0 0 4 -4,-2.3 -1,-0.2 19,-0.3 20,-0.2 0.825 95.9 59.8 -53.0 -38.7 53.8 24.4 11.6 33 35 A L T 3< S+ 0 0 116 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.516 92.6 74.5 -78.0 -1.9 57.3 24.4 13.0 34 36 A V S X S- 0 0 86 -3,-1.6 3,-1.6 -4,-0.2 17,-0.2 -0.882 88.2-136.4-111.2 102.1 58.6 26.2 9.9 35 37 A P T 3 S+ 0 0 116 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.164 82.4 24.5 -59.7 140.3 57.4 29.8 10.3 36 38 A G T 3 S+ 0 0 57 1,-0.3 2,-0.4 -4,-0.1 -4,-0.1 0.403 78.7 144.0 89.1 -5.4 55.9 31.6 7.3 37 39 A T < - 0 0 35 -3,-1.6 14,-2.5 -6,-0.3 2,-0.5 -0.559 46.7-135.5 -71.9 119.2 54.9 28.3 5.6 38 40 A I E +H 50 0B 39 -2,-0.4 12,-0.3 12,-0.2 3,-0.1 -0.709 31.2 172.3 -89.6 121.7 51.6 29.1 3.8 39 41 A A E + 0 0 0 10,-2.1 218,-2.9 -2,-0.5 2,-0.3 0.885 69.7 8.4 -84.5 -53.2 48.7 26.7 4.0 40 42 A F E -Hi 49 257B 0 9,-1.8 9,-2.8 216,-0.2 2,-0.4 -0.989 55.7-167.9-135.7 153.3 45.9 28.7 2.4 41 43 A T E -Hi 48 258B 0 216,-2.3 218,-3.5 -2,-0.3 2,-0.8 -0.999 17.5-142.2-140.7 127.2 45.6 32.0 0.5 42 44 A D E > - i 0 259B 8 5,-2.6 4,-2.2 -2,-0.4 5,-0.3 -0.840 9.1-162.5 -93.6 110.9 42.3 33.7 -0.3 43 45 A A T 4 S+ 0 0 5 216,-2.3 -1,-0.2 -2,-0.8 217,-0.1 0.762 86.0 54.5 -68.6 -24.9 42.7 35.2 -3.7 44 46 A H T 4 S+ 0 0 33 215,-0.4 -1,-0.2 1,-0.1 216,-0.1 0.909 124.8 20.1 -74.8 -46.0 39.7 37.5 -3.2 45 47 A I T 4 S- 0 0 99 2,-0.1 -2,-0.2 -3,-0.0 -1,-0.1 0.474 99.3-130.7-105.0 -7.1 40.9 39.3 -0.0 46 48 A E < + 0 0 142 -4,-2.2 2,-0.3 1,-0.2 -3,-0.2 0.552 53.0 147.7 75.2 11.4 44.5 38.4 -0.4 47 49 A V - 0 0 69 -5,-0.3 -5,-2.6 -6,-0.0 2,-0.4 -0.601 32.6-153.6 -82.4 138.1 45.0 37.0 3.1 48 50 A N E -H 41 0B 67 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.871 3.4-161.6-105.0 141.4 47.5 34.1 3.8 49 51 A I E -H 40 0B 12 -9,-2.8 -10,-2.1 -2,-0.4 -9,-1.8 -0.996 16.5-138.8-123.7 130.5 47.2 31.7 6.7 50 52 A T E > -H 38 0B 28 -2,-0.4 4,-2.5 -12,-0.3 -12,-0.2 -0.284 21.9-112.1 -82.8 167.4 50.2 29.8 7.7 51 53 A Y H > S+ 0 0 0 -14,-2.5 4,-3.3 -17,-0.2 5,-0.3 0.868 117.6 55.6 -65.1 -39.5 50.5 26.1 8.8 52 54 A A H > S+ 0 0 20 -15,-0.3 4,-2.5 -21,-0.3 5,-0.2 0.960 112.3 42.9 -60.5 -44.9 51.4 27.1 12.4 53 55 A E H > S+ 0 0 92 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 116.9 47.0 -63.3 -42.9 48.1 29.1 12.5 54 56 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.917 114.7 46.8 -63.5 -46.5 46.1 26.4 10.8 55 57 A F H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 5,-0.3 0.937 112.3 49.0 -60.1 -49.0 47.6 23.6 13.0 56 58 A E H X S+ 0 0 64 -4,-2.5 4,-2.2 -5,-0.3 -2,-0.2 0.944 114.0 44.3 -65.9 -44.5 47.1 25.5 16.2 57 59 A M H X S+ 0 0 7 -4,-2.2 4,-2.7 -5,-0.2 -1,-0.2 0.900 113.0 51.0 -67.2 -38.5 43.5 26.4 15.5 58 60 A S H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -1,-0.2 0.907 112.0 47.6 -63.6 -39.3 42.6 22.9 14.2 59 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.901 111.2 52.1 -65.8 -38.5 44.1 21.3 17.4 60 62 A R H X S+ 0 0 69 -4,-2.2 4,-2.4 -5,-0.3 -2,-0.2 0.914 110.0 47.6 -67.0 -43.7 42.2 23.8 19.5 61 63 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.878 109.5 54.2 -60.0 -40.0 39.0 22.9 17.8 62 64 A A H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.945 113.5 41.2 -59.0 -51.3 39.7 19.2 18.2 63 65 A E H X S+ 0 0 16 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.894 114.8 51.8 -65.5 -38.1 40.2 19.6 22.0 64 66 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.942 111.2 46.4 -67.9 -41.7 37.3 22.0 22.3 65 67 A M H X>S+ 0 0 0 -4,-2.9 5,-2.8 2,-0.2 4,-1.5 0.891 112.5 51.2 -65.8 -39.5 34.9 19.6 20.5 66 68 A K H <5S+ 0 0 85 -4,-2.2 3,-0.3 3,-0.2 -2,-0.2 0.941 112.8 45.3 -60.4 -47.0 36.2 16.7 22.7 67 69 A R H <5S+ 0 0 143 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.843 107.1 57.6 -68.9 -32.7 35.6 18.8 25.9 68 70 A Y H <5S- 0 0 66 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.846 129.0 -99.4 -62.5 -35.2 32.2 19.9 24.7 69 71 A G T <5S+ 0 0 39 -4,-1.5 2,-0.3 -3,-0.3 -3,-0.2 0.505 71.5 144.2 130.1 9.7 31.4 16.1 24.4 70 72 A L < + 0 0 8 -5,-2.8 -1,-0.3 -6,-0.1 2,-0.2 -0.611 17.2 153.3 -78.6 137.7 31.8 15.0 20.8 71 73 A N > - 0 0 70 -2,-0.3 3,-2.5 26,-0.1 26,-0.1 -0.743 62.4 -60.2-143.9-167.2 33.2 11.6 20.2 72 74 A T T 3 S+ 0 0 73 1,-0.3 27,-0.2 -2,-0.2 118,-0.2 0.697 125.5 65.8 -59.4 -15.3 33.1 8.8 17.5 73 75 A N T 3 S+ 0 0 116 25,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.559 94.8 73.3 -83.6 -2.3 29.4 8.6 17.9 74 76 A H < - 0 0 46 -3,-2.5 25,-1.3 23,-0.1 2,-0.3 -0.759 59.8-155.3-114.3 161.5 28.8 12.0 16.6 75 77 A R E -n 99 0C 72 45,-0.4 47,-2.3 -2,-0.3 48,-1.1 -0.892 4.5-158.5-123.3 153.9 28.8 13.9 13.3 76 78 A I E -no 100 123C 0 23,-2.3 25,-2.7 -2,-0.3 2,-0.4 -0.907 10.8-139.5-121.8 157.1 29.2 17.5 12.3 77 79 A V E -no 101 124C 0 46,-1.9 48,-2.9 -2,-0.3 2,-0.5 -0.927 6.9-160.5-109.4 140.9 28.2 19.4 9.2 78 80 A V E +no 102 125C 0 23,-1.4 25,-2.4 -2,-0.4 2,-0.5 -0.989 13.8 176.3-117.1 121.6 30.4 21.9 7.5 79 81 A C E + o 0 126C 1 46,-2.7 48,-1.7 -2,-0.5 2,-0.3 -0.908 26.7 117.3-130.9 98.9 28.4 24.2 5.3 80 82 A S - 0 0 0 -2,-0.5 25,-0.3 23,-0.4 159,-0.2 -0.979 61.3-109.1-161.5 144.4 30.4 27.0 3.7 81 83 A E S S- 0 0 34 -2,-0.3 5,-0.1 1,-0.2 180,-0.1 -0.232 71.5 -66.5 -56.2 163.9 31.7 28.5 0.4 82 84 A N S S+ 0 0 8 179,-0.1 2,-0.3 178,-0.1 -1,-0.2 -0.379 78.2 149.2 -58.9 137.5 35.5 28.0 -0.0 83 85 A S > - 0 0 10 -3,-0.1 3,-0.8 177,-0.1 4,-0.4 -0.969 62.9 -96.9-159.7 170.6 37.3 30.0 2.6 84 86 A L T 3 S+ 0 0 9 -2,-0.3 3,-0.2 1,-0.2 4,-0.1 0.757 123.1 48.5 -61.8 -28.4 40.4 30.2 4.8 85 87 A Q T > S+ 0 0 43 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.565 82.4 96.1 -90.5 -13.2 38.4 28.7 7.6 86 88 A F T <> S+ 0 0 0 -3,-0.8 4,-0.7 1,-0.3 -1,-0.2 0.853 86.0 43.0 -52.4 -50.1 36.8 25.7 5.8 87 89 A F H 3> S+ 0 0 0 -4,-0.4 4,-2.9 1,-0.2 5,-0.3 0.553 91.6 85.8 -78.0 -7.1 39.2 23.0 6.8 88 90 A M H <> S+ 0 0 1 -3,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.941 98.0 35.1 -62.3 -52.2 39.6 24.0 10.4 89 91 A P H > S+ 0 0 0 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.820 116.2 58.6 -69.1 -27.4 36.6 22.1 11.7 90 92 A V H X S+ 0 0 0 -4,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.968 112.0 38.5 -64.8 -51.1 37.3 19.3 9.1 91 93 A L H X S+ 0 0 0 -4,-2.9 4,-1.9 2,-0.2 -1,-0.2 0.881 113.4 55.1 -66.0 -44.5 40.7 18.7 10.5 92 94 A G H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.3 -1,-0.2 0.912 111.9 45.3 -55.0 -47.7 39.7 19.2 14.2 93 95 A A H >X>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-1.0 0.919 110.7 51.8 -61.3 -46.7 37.0 16.5 13.7 94 96 A L H ><5S+ 0 0 0 -4,-2.2 3,-0.6 1,-0.3 -73,-0.5 0.847 104.1 59.8 -57.3 -32.3 39.3 14.1 11.9 95 97 A F H 3<5S+ 0 0 1 -4,-1.9 87,-2.8 1,-0.2 -1,-0.3 0.760 116.5 32.1 -71.0 -25.5 41.8 14.5 14.8 96 98 A I H <<5S- 0 0 6 -3,-1.0 -1,-0.2 -4,-0.7 -2,-0.2 0.271 114.1-105.9-115.9 9.5 39.2 13.2 17.2 97 99 A G T <<5 + 0 0 1 -4,-0.7 2,-0.5 -3,-0.6 -3,-0.2 0.713 68.5 143.6 80.3 14.2 37.2 10.7 15.1 98 100 A V < - 0 0 0 -5,-2.1 -1,-0.3 -6,-0.2 2,-0.2 -0.832 53.2-118.8 -88.8 126.6 34.1 12.7 14.6 99 101 A A E -n 75 0C 7 -25,-1.3 -23,-2.3 -2,-0.5 2,-0.5 -0.457 22.6-142.1 -69.6 139.4 32.6 12.2 11.1 100 102 A V E -np 76 192C 0 91,-2.7 93,-2.7 -25,-0.2 -23,-0.2 -0.845 12.8-169.0-107.9 129.1 32.4 15.3 8.9 101 103 A A E -n 77 0C 2 -25,-2.7 -23,-1.4 -2,-0.5 2,-0.3 -0.881 10.8-155.8-117.3 96.2 29.5 15.8 6.6 102 104 A P E -n 78 0C 3 0, 0.0 2,-0.5 0, 0.0 93,-0.3 -0.569 7.8-154.8 -75.2 134.7 30.1 18.7 4.1 103 105 A A - 0 0 0 -25,-2.4 -23,-0.4 -2,-0.3 137,-0.1 -0.964 25.1-108.9-113.2 122.5 26.9 20.2 2.8 104 106 A N > - 0 0 33 -2,-0.5 3,-1.1 1,-0.2 -23,-0.1 -0.204 23.6-146.0 -42.6 121.5 26.8 22.0 -0.5 105 107 A D T 3 S+ 0 0 33 -25,-0.3 -1,-0.2 1,-0.3 -24,-0.1 0.449 95.2 50.2 -81.5 -2.3 26.5 25.7 0.3 106 108 A I T 3 S+ 0 0 134 -26,-0.1 2,-0.3 2,-0.0 -1,-0.3 0.245 77.4 125.2-118.0 11.3 24.3 26.4 -2.9 107 109 A Y < - 0 0 20 -3,-1.1 -4,-0.0 4,-0.1 0, 0.0 -0.533 67.4-121.1 -52.5 130.4 21.9 23.6 -2.2 108 110 A N > - 0 0 88 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.066 40.7 -88.9 -59.1-179.4 18.4 25.2 -2.1 109 111 A E H > S+ 0 0 98 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.769 124.9 51.6 -80.2 -25.6 16.7 24.5 1.2 110 112 A R H > S+ 0 0 83 2,-0.2 4,-2.3 1,-0.1 -1,-0.2 0.926 110.8 47.8 -69.9 -49.1 15.1 21.2 0.3 111 113 A E H > S+ 0 0 70 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.897 112.1 52.2 -58.6 -40.3 18.4 19.6 -0.9 112 114 A L H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.3 0.921 109.0 47.8 -63.5 -47.1 20.1 20.9 2.3 113 115 A L H X S+ 0 0 45 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.916 110.2 53.9 -62.2 -42.0 17.5 19.4 4.5 114 116 A N H X S+ 0 0 26 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.941 110.0 46.7 -54.2 -51.8 17.8 16.1 2.6 115 117 A S H X S+ 0 0 2 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.910 116.8 42.5 -59.0 -45.9 21.6 16.1 3.1 116 118 A M H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.774 106.9 61.4 -78.7 -25.5 21.5 16.9 6.9 117 119 A N H < S+ 0 0 81 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.922 110.5 42.1 -60.9 -39.2 18.6 14.5 7.4 118 120 A I H < S+ 0 0 40 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.915 118.9 43.0 -72.7 -43.6 21.0 11.7 6.2 119 121 A S H < S- 0 0 2 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.783 86.5-157.6 -79.4 -25.7 24.1 12.9 8.2 120 122 A Q < - 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