==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-JUN-96 1LCI . COMPND 2 MOLECULE: LUCIFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTINUS PYRALIS; . AUTHOR E.CONTI,N.P.FRANKS,P.BRICK . 523 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21795.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 36 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 137 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 4 4 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 4 1 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 4 3 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 1 1 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 0 123 0, 0.0 3,-0.6 0, 0.0 373,-0.0 0.000 360.0 360.0 360.0-175.9 31.3 106.0 54.1 2 5 A K T 3 + 0 0 76 1,-0.2 0, 0.0 3,-0.0 0, 0.0 0.031 360.0 87.7 -90.2 20.3 31.4 102.6 55.7 3 6 A N T 3 + 0 0 47 371,-0.1 2,-0.6 2,-0.1 361,-0.4 0.243 67.5 82.5-103.3 8.0 27.7 103.2 56.1 4 7 A I S < S- 0 0 43 -3,-0.6 2,-0.5 359,-0.1 359,-0.2 -0.979 76.4-146.9-107.4 118.0 26.9 101.7 52.7 5 8 A K E -A 362 0A 16 357,-3.2 357,-3.0 -2,-0.6 2,-0.4 -0.788 18.5-164.2 -85.6 131.9 26.8 97.9 53.1 6 9 A K E -A 361 0A 60 -2,-0.5 355,-0.2 355,-0.2 350,-0.1 -0.945 18.8-117.4-124.0 138.7 28.1 96.3 49.9 7 10 A G - 0 0 16 353,-3.0 352,-0.4 350,-0.5 350,-0.2 -0.422 35.8-114.5 -69.5 151.1 27.7 92.7 48.7 8 11 A P - 0 0 73 0, 0.0 351,-0.4 0, 0.0 352,-0.2 0.038 45.6 -67.7 -74.6-173.1 30.9 90.7 48.3 9 12 A A - 0 0 88 349,-0.1 2,-0.1 1,-0.1 3,-0.0 -0.561 56.4-117.1 -76.2 140.9 32.3 89.3 45.0 10 13 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 204,-0.1 -0.385 6.3-132.7 -77.0 158.1 30.2 86.5 43.5 11 14 A F S S+ 0 0 120 1,-0.2 206,-0.1 202,-0.2 203,-0.1 0.911 103.2 40.8 -73.5 -49.1 31.5 83.0 43.0 12 15 A Y S S- 0 0 64 201,-0.3 -1,-0.2 200,-0.0 3,-0.1 -0.916 94.5-134.2 -99.8 117.4 30.2 83.0 39.4 13 16 A P - 0 0 89 0, 0.0 -2,-0.1 0, 0.0 2,-0.0 -0.349 37.4 -82.5 -67.3 157.0 30.9 86.3 37.7 14 17 A L - 0 0 61 1,-0.1 2,-0.3 -4,-0.0 196,-0.1 -0.395 54.3-138.2 -56.0 131.5 28.2 87.9 35.7 15 18 A E - 0 0 69 194,-0.3 7,-0.1 -3,-0.1 197,-0.1 -0.725 11.3-111.1 -99.6 151.9 28.3 86.3 32.3 16 19 A D S S+ 0 0 151 -2,-0.3 2,-0.1 5,-0.0 -1,-0.1 -0.314 74.2 66.5 -69.0 163.6 27.9 87.9 29.0 17 20 A G S S- 0 0 21 166,-0.1 165,-0.1 4,-0.1 -2,-0.1 -0.185 86.6 -73.2 106.3 156.5 24.8 87.2 27.0 18 21 A T > - 0 0 2 163,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.312 49.6-105.4 -74.0 170.7 21.1 87.9 27.4 19 22 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.897 124.9 54.4 -64.5 -35.3 19.2 85.8 30.0 20 23 A G H > S+ 0 0 0 73,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.870 109.1 45.9 -65.6 -37.9 17.7 83.9 27.0 21 24 A E H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 112.6 50.0 -72.7 -39.7 21.2 83.1 25.7 22 25 A Q H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.889 113.9 45.4 -64.9 -39.4 22.5 82.1 29.1 23 26 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 2,-0.2 5,-0.3 0.931 112.2 51.4 -68.7 -44.6 19.5 79.8 29.7 24 27 A H H X S+ 0 0 13 -4,-2.2 4,-2.7 1,-0.2 5,-0.2 0.926 111.1 48.4 -56.7 -48.4 19.7 78.3 26.1 25 28 A K H X S+ 0 0 113 -4,-2.3 4,-1.4 2,-0.2 -1,-0.2 0.939 115.7 42.9 -59.9 -50.1 23.4 77.5 26.6 26 29 A A H X S+ 0 0 4 -4,-2.0 4,-1.5 1,-0.2 3,-0.2 0.945 117.3 46.0 -62.1 -48.6 22.9 75.9 30.0 27 30 A M H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -2,-0.2 0.836 106.9 56.7 -66.8 -34.6 19.8 74.0 29.0 28 31 A K H X S+ 0 0 59 -4,-2.7 4,-1.2 -5,-0.3 -1,-0.2 0.878 106.0 53.3 -64.2 -36.3 21.2 72.7 25.7 29 32 A R H < S+ 0 0 111 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.892 112.6 41.3 -66.3 -43.4 24.1 71.2 27.7 30 33 A Y H >< S+ 0 0 40 -4,-1.5 3,-1.6 1,-0.2 6,-0.3 0.820 108.0 62.8 -73.7 -32.0 21.7 69.3 30.1 31 34 A A H 3< S+ 0 0 5 -4,-2.3 -1,-0.2 19,-0.3 -2,-0.2 0.826 95.4 60.9 -60.5 -32.3 19.5 68.3 27.1 32 35 A L T 3< S+ 0 0 106 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.566 91.8 74.6 -76.2 -6.2 22.4 66.4 25.7 33 36 A V S X S- 0 0 82 -3,-1.6 3,-1.7 -4,-0.2 17,-0.2 -0.864 90.2-130.9-107.7 100.8 22.5 64.2 28.7 34 37 A P T 3 S+ 0 0 115 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.136 85.5 19.1 -49.3 134.2 19.5 61.8 28.4 35 38 A G T 3 S+ 0 0 55 1,-0.3 2,-0.5 -4,-0.1 -4,-0.1 0.443 76.2 145.8 86.8 -1.9 17.3 61.6 31.5 36 39 A T < - 0 0 36 -3,-1.7 14,-2.7 -6,-0.3 2,-0.4 -0.607 47.3-133.9 -69.4 118.1 18.4 64.8 33.2 37 40 A I E +H 49 0B 40 -2,-0.5 12,-0.3 12,-0.3 3,-0.1 -0.672 32.5 172.3 -85.0 125.2 15.1 65.9 34.9 38 41 A A E S+ 0 0 0 10,-2.4 217,-2.5 -2,-0.4 2,-0.3 0.841 71.0 8.5 -91.7 -49.1 14.1 69.6 34.6 39 42 A F E -Hi 48 255B 0 9,-1.9 9,-3.0 215,-0.2 2,-0.4 -0.977 55.3-169.0-136.3 151.6 10.7 69.4 36.2 40 43 A T E -Hi 47 256B 0 215,-2.3 217,-3.1 -2,-0.3 2,-0.8 -0.999 18.9-141.9-137.4 128.8 8.6 66.8 38.1 41 44 A D E > - i 0 257B 8 5,-2.4 4,-2.1 -2,-0.4 5,-0.4 -0.860 10.6-160.2 -91.5 111.9 4.9 67.3 38.8 42 45 A A T 4 S+ 0 0 3 215,-2.6 -1,-0.2 -2,-0.8 216,-0.1 0.787 87.4 54.5 -63.8 -27.3 4.5 65.9 42.3 43 46 A H T 4 S+ 0 0 32 214,-0.4 -1,-0.2 1,-0.2 215,-0.1 0.905 123.0 22.4 -74.6 -45.5 0.7 65.5 41.8 44 47 A I T 4 S- 0 0 92 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.465 98.2-132.7-101.0 -7.3 0.8 63.4 38.6 45 48 A E < + 0 0 141 -4,-2.1 2,-0.3 1,-0.2 -3,-0.2 0.560 53.8 145.7 71.0 12.0 4.3 62.1 39.2 46 49 A V - 0 0 69 -5,-0.4 -5,-2.4 -6,-0.0 2,-0.4 -0.625 35.4-151.5 -86.7 136.7 5.4 62.9 35.6 47 50 A N E -H 40 0B 63 -2,-0.3 2,-0.5 -7,-0.2 -7,-0.2 -0.839 3.7-160.8-102.8 143.5 9.0 64.0 34.9 48 51 A I E -H 39 0B 13 -9,-3.0 -10,-2.4 -2,-0.4 -9,-1.9 -0.994 17.7-140.7-124.2 124.4 10.0 66.2 32.0 49 52 A T E > -H 37 0B 27 -2,-0.5 4,-2.6 -12,-0.3 -12,-0.3 -0.313 23.4-110.0 -79.7 165.4 13.7 66.1 31.0 50 53 A Y H > S+ 0 0 0 -14,-2.7 4,-3.3 -17,-0.2 5,-0.3 0.871 119.1 57.2 -60.3 -37.5 15.9 68.9 29.9 51 54 A A H > S+ 0 0 20 -15,-0.3 4,-2.4 -21,-0.3 5,-0.2 0.955 110.8 42.4 -58.8 -47.6 16.0 67.4 26.4 52 55 A E H > S+ 0 0 94 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.929 118.9 45.2 -60.5 -47.7 12.2 67.6 26.2 53 56 A Y H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.890 114.2 47.1 -64.1 -47.1 12.1 71.1 27.8 54 57 A F H X S+ 0 0 0 -4,-3.3 4,-2.8 2,-0.2 5,-0.2 0.936 114.0 47.8 -60.9 -48.2 14.9 72.5 25.7 55 58 A E H X S+ 0 0 64 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.908 113.8 45.8 -66.2 -39.4 13.5 71.2 22.5 56 59 A M H X S+ 0 0 9 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.902 114.2 48.3 -70.7 -37.5 10.0 72.5 23.2 57 60 A S H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.908 112.1 49.4 -67.9 -40.9 11.2 75.9 24.3 58 61 A V H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 -2,-0.2 0.920 112.0 48.5 -63.0 -43.5 13.4 76.2 21.2 59 62 A R H X S+ 0 0 64 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.872 111.5 49.8 -65.1 -38.8 10.5 75.3 19.0 60 63 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.878 110.2 50.7 -65.9 -40.4 8.2 77.8 20.7 61 64 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.973 114.5 43.5 -60.7 -52.9 10.8 80.5 20.3 62 65 A E H X S+ 0 0 20 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.895 114.4 50.1 -60.2 -43.0 11.2 79.8 16.6 63 66 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.898 112.1 47.0 -64.7 -40.4 7.4 79.5 16.1 64 67 A M H X>S+ 0 0 0 -4,-2.4 5,-2.7 2,-0.2 4,-1.3 0.895 113.2 49.5 -66.9 -39.7 6.8 82.8 17.9 65 68 A K H <5S+ 0 0 91 -4,-2.6 3,-0.4 3,-0.2 -2,-0.2 0.939 113.3 46.2 -60.9 -47.5 9.5 84.4 15.8 66 69 A R H <5S+ 0 0 141 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.849 108.7 55.9 -63.1 -38.5 8.0 83.0 12.6 67 70 A Y H <5S- 0 0 67 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.801 127.3-102.5 -63.3 -29.9 4.6 84.1 13.8 68 71 A G T <5S+ 0 0 36 -4,-1.3 -3,-0.2 -3,-0.4 2,-0.2 0.468 70.9 141.5 122.0 2.9 6.1 87.6 14.1 69 72 A L < + 0 0 8 -5,-2.7 -1,-0.3 2,-0.1 2,-0.2 -0.556 19.5 154.2 -77.5 142.1 6.8 88.4 17.7 70 73 A N > - 0 0 65 -2,-0.2 3,-2.6 26,-0.1 28,-0.3 -0.761 65.0 -59.1-145.6-167.3 10.0 90.3 18.4 71 74 A T T 3 S+ 0 0 78 1,-0.3 118,-0.2 -2,-0.2 27,-0.1 0.591 128.3 66.8 -60.1 -10.3 11.3 92.6 21.1 72 75 A N T 3 S+ 0 0 117 25,-0.1 -1,-0.3 2,-0.0 2,-0.3 0.448 96.4 71.5 -85.6 -4.8 8.3 94.9 20.3 73 76 A H < - 0 0 44 -3,-2.6 25,-2.0 23,-0.1 2,-0.3 -0.768 60.7-158.0-117.4 161.2 5.9 92.3 21.6 74 77 A R E -n 98 0C 71 45,-0.3 47,-2.6 -2,-0.3 48,-1.0 -0.937 5.2-158.9-130.8 147.9 4.9 90.8 25.0 75 78 A I E -no 99 122C 0 23,-2.8 25,-2.6 -2,-0.3 2,-0.4 -0.888 11.3-140.5-119.7 157.9 3.2 87.6 25.8 76 79 A V E -no 100 123C 0 46,-1.6 48,-3.1 -2,-0.3 2,-0.5 -0.934 5.9-158.3-114.2 141.4 1.3 86.7 28.9 77 80 A V E +no 101 124C 0 23,-1.3 25,-2.7 -2,-0.4 2,-0.5 -0.998 13.7 179.1-117.4 117.8 1.6 83.3 30.6 78 81 A C E + o 0 125C 0 46,-2.8 48,-1.9 -2,-0.5 2,-0.3 -0.893 28.5 117.4-123.9 98.8 -1.4 82.6 32.8 79 82 A S - 0 0 1 -2,-0.5 25,-0.3 23,-0.4 158,-0.2 -0.992 61.5-110.2-161.6 148.7 -1.3 79.3 34.5 80 83 A E S S- 0 0 31 -2,-0.3 5,-0.1 1,-0.2 179,-0.1 -0.342 71.4 -65.9 -64.8 164.3 -1.1 77.5 37.8 81 84 A N S S+ 0 0 9 178,-0.1 2,-0.3 152,-0.1 -1,-0.2 -0.337 79.0 149.8 -56.8 133.3 2.2 75.8 38.4 82 85 A S - 0 0 9 -3,-0.1 3,-0.5 176,-0.1 4,-0.4 -0.957 63.9-100.0-157.9 169.9 2.7 73.1 35.8 83 86 A L S S+ 0 0 11 -2,-0.3 3,-0.2 1,-0.2 4,-0.1 0.782 122.5 51.9 -65.1 -27.2 5.2 71.2 33.7 84 87 A Q S > S+ 0 0 38 1,-0.2 3,-1.5 2,-0.1 -1,-0.2 0.629 82.0 92.7 -83.8 -21.2 4.3 73.5 30.8 85 88 A F T 3> S+ 0 0 0 -3,-0.5 4,-0.8 1,-0.3 -1,-0.2 0.848 87.3 42.5 -44.3 -53.6 4.7 76.9 32.5 86 89 A F H 3> S+ 0 0 0 -4,-0.4 4,-3.2 -3,-0.2 5,-0.3 0.530 93.1 83.4 -80.5 -3.9 8.3 77.7 31.6 87 90 A M H <> S+ 0 0 0 -3,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.959 99.8 35.3 -64.4 -53.0 8.0 76.5 28.0 88 91 A P H > S+ 0 0 0 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.854 118.1 55.3 -69.5 -29.6 6.5 79.8 26.7 89 92 A V H X S+ 0 0 0 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.956 112.7 39.8 -64.3 -51.7 8.6 81.7 29.2 90 93 A L H X S+ 0 0 0 -4,-3.2 4,-2.1 2,-0.2 5,-0.2 0.955 114.6 54.7 -62.6 -48.1 11.9 80.2 27.9 91 94 A G H X S+ 0 0 0 -4,-2.7 4,-0.6 -5,-0.3 -2,-0.2 0.898 110.8 44.8 -49.2 -51.1 10.8 80.4 24.3 92 95 A A H >X>S+ 0 0 0 -4,-2.5 5,-2.2 1,-0.2 3,-0.9 0.886 110.2 53.4 -65.0 -40.1 10.1 84.1 24.7 93 96 A L H 3<5S+ 0 0 0 -4,-2.3 -73,-0.5 1,-0.2 3,-0.3 0.839 102.8 60.2 -64.0 -31.1 13.3 84.9 26.5 94 97 A F H 3<5S+ 0 0 0 -4,-2.1 87,-3.2 1,-0.2 -1,-0.2 0.737 116.5 31.0 -65.8 -27.3 15.2 83.2 23.6 95 98 A I H <<5S- 0 0 5 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.335 114.9-108.2-114.9 4.1 13.9 85.7 21.1 96 99 A G T <5 + 0 0 1 -4,-0.9 2,-0.4 -3,-0.3 -3,-0.2 0.732 65.0 147.2 77.9 22.2 13.5 88.7 23.4 97 100 A V < - 0 0 0 -5,-2.2 -1,-0.3 -6,-0.1 -23,-0.2 -0.780 53.1-114.4 -86.0 131.6 9.8 88.9 23.7 98 101 A A E -n 74 0C 8 -25,-2.0 -23,-2.8 -2,-0.4 2,-0.5 -0.491 25.4-145.6 -70.9 135.8 8.7 90.2 27.1 99 102 A V E -np 75 191C 0 91,-3.0 93,-2.6 -25,-0.2 -23,-0.2 -0.918 13.0-171.6-106.2 124.3 6.9 87.7 29.3 100 103 A A E -n 76 0C 2 -25,-2.6 -23,-1.3 -2,-0.5 2,-0.4 -0.919 13.4-153.5-114.2 95.7 4.2 89.0 31.7 101 104 A P E -n 77 0C 2 0, 0.0 2,-0.5 0, 0.0 93,-0.3 -0.615 11.0-151.1 -70.7 129.4 3.1 86.2 34.0 102 105 A A - 0 0 0 -25,-2.7 -23,-0.4 -2,-0.4 2,-0.1 -0.907 23.5-106.5-109.1 127.6 -0.5 86.8 35.2 103 106 A N > - 0 0 37 -2,-0.5 3,-1.6 1,-0.2 -23,-0.1 -0.275 25.7-147.2 -50.8 118.0 -1.7 85.5 38.5 104 107 A D T 3 S+ 0 0 36 -25,-0.3 -1,-0.2 1,-0.3 -24,-0.1 0.471 96.0 49.6 -73.8 -6.6 -4.0 82.5 37.7 105 108 A I T 3 S+ 0 0 137 -26,-0.1 -1,-0.3 2,-0.0 2,-0.2 0.219 80.9 120.1-109.6 3.9 -6.4 83.1 40.7 106 109 A Y < - 0 0 26 -3,-1.6 -4,-0.0 1,-0.1 2,-0.0 -0.527 68.8-125.0 -57.1 136.6 -6.7 86.8 39.7 107 110 A N > - 0 0 85 -2,-0.2 4,-2.3 1,-0.1 5,-0.2 -0.158 39.5 -84.3 -71.4-174.6 -10.4 87.3 39.1 108 111 A E H > S+ 0 0 45 1,-0.2 4,-2.3 2,-0.2 -1,-0.1 0.762 129.5 49.8 -69.1 -21.7 -11.3 88.7 35.6 109 112 A R H > S+ 0 0 67 2,-0.2 4,-3.2 3,-0.2 -1,-0.2 0.881 112.0 44.5 -82.3 -45.0 -10.7 92.3 36.8 110 113 A E H > S+ 0 0 85 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.890 117.5 49.2 -63.3 -38.5 -7.4 91.8 38.4 111 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.942 111.3 47.9 -64.4 -48.2 -6.6 89.8 35.3 112 115 A L H X S+ 0 0 50 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.927 112.7 48.8 -58.3 -45.8 -7.9 92.7 33.1 113 116 A N H X S+ 0 0 46 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.954 112.8 47.5 -58.8 -53.7 -5.8 95.2 35.1 114 117 A S H >X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 3,-0.9 0.960 117.3 41.6 -49.6 -56.6 -2.7 93.1 34.9 115 118 A M H 3X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.3 -1,-0.2 0.792 104.8 64.9 -70.2 -23.7 -3.1 92.5 31.1 116 119 A N H 3< S+ 0 0 82 -4,-2.5 -1,-0.3 -5,-0.3 -2,-0.2 0.854 108.6 42.3 -66.8 -30.4 -4.1 96.1 30.5 117 120 A I H << S+ 0 0 37 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.928 117.3 44.3 -79.5 -44.2 -0.6 97.1 31.6 118 121 A S H < S- 0 0 2 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.725 83.9-159.2 -76.9 -23.2 1.3 94.3 29.8 119 122 A Q < - 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0 0 74 1,-0.1 2,-1.9 2,-0.0 3,-0.2 -0.454 360.0-137.8 -71.3 118.5 1.1 99.6 57.5 514 531 A D > - 0 0 73 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 -0.568 25.7-177.6 -74.6 89.9 2.8 103.0 56.9 515 532 A A H > S+ 0 0 58 -2,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.837 76.7 55.8 -60.6 -37.3 2.7 104.0 60.5 516 533 A R H > S+ 0 0 65 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.923 111.3 44.2 -64.2 -40.8 4.3 107.4 59.9 517 534 A K H > S+ 0 0 106 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.912 111.7 51.9 -69.8 -42.4 1.5 108.2 57.4 518 535 A I H X S+ 0 0 0 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.933 112.1 48.6 -57.4 -41.7 -1.2 106.9 59.7 519 536 A R H X S+ 0 0 106 -4,-2.7 4,-2.3 -5,-0.2 -2,-0.2 0.950 108.9 53.5 -63.0 -45.1 0.4 109.2 62.3 520 537 A E H X S+ 0 0 53 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.927 108.8 47.2 -54.9 -51.8 0.3 112.1 59.8 521 538 A I H X S+ 0 0 41 -4,-2.7 4,-2.0 1,-0.2 5,-0.3 0.848 110.1 54.8 -60.0 -36.8 -3.4 111.7 59.1 522 539 A L H X>S+ 0 0 0 -4,-1.8 4,-2.8 -5,-0.3 5,-0.6 0.928 110.0 45.7 -64.1 -42.5 -4.1 111.5 62.8 523 540 A I H <5S+ 0 0 64 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.844 110.4 53.7 -71.2 -33.4 -2.3 114.8 63.5 524 541 A K H <5S+ 0 0 91 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.938 120.5 30.9 -66.5 -43.8 -3.9 116.6 60.6 525 542 A A H <5S+ 0 0 65 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.841 135.0 26.3 -83.4 -38.0 -7.5 115.7 61.7 526 543 A K T <5 0 0 74 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.956 360.0 360.0 -89.6 -61.1 -7.0 115.6 65.4 527 544 A K < 0 0 89 -5,-0.6 -1,-0.1 -4,-0.0 -2,-0.1 -0.634 360.0 360.0 106.2 360.0 -4.0 117.8 66.4