==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER FLAVOPROTEIN 27-FEB-95 1NFP . COMPND 2 MOLECULE: LUXF GENE PRODUCT; . SOURCE 2 ORGANISM_SCIENTIFIC: PHOTOBACTERIUM LEIOGNATHI; . AUTHOR S.A.MOORE,M.N.G.NJAMES . 228 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12270.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 18 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.6 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 0 0 1 0 0 0 0 1 0 0 1 1 1 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 0 1 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 PARALLEL BRIDGES PER LADDER . 1 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 1 A M 0 0 158 0, 0.0 2,-0.3 0, 0.0 189,-0.0 0.000 360.0 360.0 360.0 148.0 21.3 38.4 30.7 2 2 A T - 0 0 68 0, 0.0 2,-0.5 0, 0.0 225,-0.1 -0.952 360.0 -86.2-148.0 160.6 18.0 37.4 29.1 3 3 A K - 0 0 71 -2,-0.3 2,-0.4 224,-0.2 219,-0.0 -0.611 41.2-148.5 -74.9 122.3 14.4 37.2 30.1 4 4 A W - 0 0 63 -2,-0.5 2,-0.3 189,-0.1 189,-0.1 -0.763 13.5-142.3 -88.6 139.1 13.8 33.8 31.7 5 5 A N - 0 0 30 -2,-0.4 189,-3.0 37,-0.0 2,-0.3 -0.821 12.6-160.2-108.3 147.3 10.2 32.5 31.1 6 6 A Y E +a 42 0A 28 35,-0.7 37,-2.2 -2,-0.3 38,-0.4 -0.794 18.0 153.1-126.0 155.7 8.1 30.6 33.6 7 7 A G E - 0 0 0 -2,-0.3 189,-2.3 35,-0.3 2,-0.3 -0.910 33.3-107.8-160.7-171.1 5.1 28.3 33.3 8 8 A V E -ab 45 196A 0 36,-2.4 38,-1.6 187,-0.3 2,-0.3 -0.927 19.5-162.8-133.8 152.3 3.4 25.4 35.1 9 9 A F E -a 46 0A 0 187,-2.1 2,-0.4 -2,-0.3 189,-0.3 -0.961 7.0-149.9-134.1 157.5 3.0 21.7 34.6 10 10 A F E -a 47 0A 17 36,-1.7 38,-2.8 -2,-0.3 2,-0.6 -0.966 20.3-126.5-124.5 140.4 0.7 19.0 36.0 11 11 A L E -a 48 0A 14 -2,-0.4 2,-1.7 36,-0.2 38,-0.1 -0.782 19.8-142.4 -85.0 118.4 1.6 15.4 36.4 12 12 A N + 0 0 71 36,-2.4 2,-0.3 -2,-0.6 39,-0.1 -0.647 59.9 116.0 -90.1 84.8 -1.2 13.4 34.6 13 13 A F - 0 0 29 -2,-1.7 3,-0.1 1,-0.1 -2,-0.1 -0.975 59.2-143.5-152.9 136.7 -1.3 10.5 37.2 14 14 A Y S S+ 0 0 162 -2,-0.3 2,-0.7 1,-0.2 10,-0.2 0.767 82.8 61.0 -79.7 -26.1 -4.2 9.5 39.5 15 15 A H + 0 0 103 3,-0.1 2,-0.4 5,-0.0 -1,-0.2 -0.864 59.5 151.6-111.3 95.9 -2.3 8.5 42.6 16 16 A V S > S- 0 0 0 -2,-0.7 3,-2.4 3,-0.4 132,-0.2 -0.988 71.5 -19.1-127.8 131.1 -0.2 11.1 44.3 17 17 A G T 3 S- 0 0 9 131,-1.3 131,-0.2 130,-0.7 -1,-0.1 0.777 115.0 -67.1 43.2 45.6 0.6 11.4 48.0 18 18 A Q T 3 S+ 0 0 131 129,-0.2 -1,-0.3 1,-0.2 2,-0.3 0.716 95.8 148.5 51.5 27.9 -2.3 9.1 49.0 19 19 A Q < - 0 0 19 -3,-2.4 -3,-0.4 129,-0.1 -1,-0.2 -0.664 53.4-114.4 -91.7 146.7 -4.8 11.8 47.9 20 20 A E >> - 0 0 118 -2,-0.3 4,-1.9 1,-0.1 3,-1.4 -0.586 32.9-113.2 -75.3 147.5 -8.2 10.8 46.4 21 21 A P H 3> S+ 0 0 68 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.811 115.7 55.3 -48.0 -41.8 -8.4 11.8 42.8 22 22 A S H 3> S+ 0 0 91 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.830 107.5 50.8 -68.7 -24.6 -11.0 14.5 43.4 23 23 A L H <> S+ 0 0 60 -3,-1.4 4,-2.6 2,-0.2 -1,-0.2 0.934 111.8 46.3 -73.4 -47.8 -8.8 16.2 46.0 24 24 A T H X S+ 0 0 26 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.914 114.2 49.8 -57.8 -44.3 -5.8 16.2 43.5 25 25 A M H X S+ 0 0 114 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.919 110.7 48.7 -58.6 -49.7 -8.2 17.5 40.9 26 26 A S H X S+ 0 0 71 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.927 110.9 50.6 -59.3 -42.6 -9.5 20.3 43.2 27 27 A N H X S+ 0 0 16 -4,-2.6 4,-1.5 1,-0.2 3,-0.3 0.914 109.7 51.2 -62.5 -42.8 -5.9 21.3 44.2 28 28 A A H X S+ 0 0 20 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.867 105.4 55.0 -63.0 -40.3 -4.9 21.5 40.5 29 29 A L H X S+ 0 0 90 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.814 104.3 55.1 -62.3 -28.3 -7.9 23.8 39.7 30 30 A E H X S+ 0 0 49 -4,-1.3 4,-2.4 -3,-0.3 -1,-0.2 0.879 105.4 52.5 -70.1 -38.7 -6.8 26.2 42.4 31 31 A T H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.938 110.6 47.6 -62.2 -45.5 -3.4 26.4 40.7 32 32 A L H X S+ 0 0 69 -4,-2.2 4,-1.8 1,-0.2 5,-0.2 0.911 110.1 53.1 -58.4 -45.0 -5.2 27.2 37.4 33 33 A R H X S+ 0 0 66 -4,-2.0 4,-2.5 1,-0.2 5,-0.5 0.925 108.5 49.5 -58.7 -43.5 -7.3 29.8 39.2 34 34 A I H X>S+ 0 0 0 -4,-2.4 5,-1.2 1,-0.2 4,-1.2 0.854 110.9 50.1 -65.5 -37.2 -4.1 31.5 40.6 35 35 A I H <5S+ 0 0 29 -4,-1.9 -1,-0.2 3,-0.2 -2,-0.2 0.818 116.9 40.4 -68.9 -32.9 -2.5 31.6 37.2 36 36 A D H <5S+ 0 0 132 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.855 132.9 17.0 -86.4 -41.3 -5.6 33.2 35.6 37 37 A E H <5S+ 0 0 128 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.795 126.3 39.7-104.0 -34.7 -6.6 35.6 38.3 38 38 A D T <5S+ 0 0 51 -4,-1.2 2,-0.3 -5,-0.5 -3,-0.2 0.642 112.9 24.9 -98.3 -17.0 -3.8 36.2 40.7 39 39 A T < - 0 0 17 -5,-1.2 173,-0.1 3,-0.1 172,-0.0 -0.820 46.5-157.1-141.0 174.9 -0.6 36.4 38.7 40 40 A S S S+ 0 0 87 -2,-0.3 -1,-0.1 -3,-0.0 -5,-0.1 0.563 76.5 74.9-131.9 -15.8 0.8 37.2 35.2 41 41 A I + 0 0 5 1,-0.1 2,-1.3 -36,-0.0 -35,-0.7 0.659 67.2 92.5 -75.3 -20.5 4.1 35.4 34.8 42 42 A Y E +a 6 0A 13 1,-0.2 -35,-0.3 -7,-0.1 -1,-0.1 -0.677 53.5 174.3 -79.9 93.6 3.0 31.8 34.4 43 43 A D E + 0 0 84 -37,-2.2 2,-0.3 -2,-1.3 -36,-0.2 0.750 50.8 14.8 -73.8 -39.1 2.8 31.8 30.6 44 44 A V E - 0 0 20 -38,-0.4 -36,-2.4 24,-0.0 2,-0.4 -0.927 58.4-142.8-141.1 158.6 2.0 28.3 29.5 45 45 A V E +a 8 0A 57 -2,-0.3 2,-0.3 -38,-0.2 24,-0.3 -0.949 21.2 174.4-123.5 143.2 0.8 25.0 31.0 46 46 A A E -a 9 0A 6 -38,-1.6 -36,-1.7 -2,-0.4 2,-0.4 -0.869 23.4-125.4-139.1 171.2 2.0 21.5 30.0 47 47 A F E -a 10 0A 112 -2,-0.3 2,-0.7 -38,-0.2 -36,-0.2 -0.936 12.0-135.0-121.3 144.2 1.3 17.9 31.2 48 48 A S E +a 11 0A 0 -38,-2.8 -36,-2.4 -2,-0.4 3,-0.0 -0.896 45.4 144.9 -96.3 115.8 3.9 15.3 32.3 49 49 A E > + 0 0 71 -2,-0.7 3,-1.4 -38,-0.1 -1,-0.1 0.270 26.5 112.3-141.5 17.9 2.8 12.1 30.6 50 50 A H T 3 + 0 0 44 1,-0.3 4,-0.1 3,-0.0 -1,-0.0 0.354 61.8 80.8 -78.6 5.8 5.9 10.2 29.7 51 51 A H T 3 S+ 0 0 28 -39,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.560 84.5 75.5 -81.0 -11.6 5.1 7.4 32.2 52 52 A I S < S- 0 0 84 -3,-1.4 2,-0.4 2,-0.0 -3,-0.1 -0.888 87.8-124.0-102.0 133.3 2.7 6.1 29.5 53 53 A D - 0 0 114 -2,-0.4 2,-0.6 1,-0.1 -2,-0.1 -0.606 22.0-165.4 -76.2 128.7 4.1 4.2 26.5 54 54 A K + 0 0 82 -2,-0.4 8,-3.0 8,-0.1 2,-0.3 -0.803 30.9 144.7-116.4 84.6 2.9 5.9 23.3 55 55 A S B -G 61 0B 56 -2,-0.6 6,-0.3 6,-0.3 2,-0.1 -0.873 42.9-127.4-124.5 157.5 3.5 3.4 20.6 56 56 A Y > - 0 0 132 4,-3.3 3,-1.4 -2,-0.3 6,-0.0 -0.345 43.1 -91.9 -87.4 176.1 1.9 2.2 17.3 57 57 A N T 3 S+ 0 0 168 1,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.750 124.2 53.1 -64.8 -29.7 1.1 -1.3 16.5 58 58 A D T 3 S- 0 0 111 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.220 121.2-102.5 -92.5 11.7 4.5 -1.9 14.7 59 59 A E S < S+ 0 0 148 -3,-1.4 2,-0.1 1,-0.4 -2,-0.1 0.460 80.4 134.4 80.7 3.8 6.5 -0.7 17.7 60 60 A T - 0 0 75 -5,-0.0 -4,-3.3 1,-0.0 -1,-0.4 -0.512 51.8-126.8 -77.9 157.7 7.2 2.6 16.2 61 61 A K B -G 55 0B 144 -6,-0.3 -6,-0.3 -2,-0.1 2,-0.1 -0.830 14.8-101.5-111.1 150.4 6.7 5.4 18.7 62 62 A L - 0 0 90 -8,-3.0 -8,-0.1 -2,-0.3 -1,-0.0 -0.426 50.7-106.6 -62.2 137.4 4.6 8.6 18.8 63 63 A A - 0 0 54 1,-0.1 2,-2.2 -2,-0.1 -1,-0.1 -0.513 30.2-122.1 -69.6 130.9 7.1 11.5 18.1 64 64 A P + 0 0 43 0, 0.0 11,-2.9 0, 0.0 2,-0.3 -0.251 53.4 152.6 -79.6 59.5 7.6 13.4 21.5 65 65 A F E -C 74 0A 124 -2,-2.2 2,-0.4 9,-0.2 9,-0.2 -0.669 21.1-172.7 -86.6 141.9 6.5 16.8 20.4 66 66 A V E -C 73 0A 38 7,-2.6 7,-3.3 -2,-0.3 2,-0.5 -0.996 13.5-145.0-135.9 127.0 5.1 19.2 23.0 67 67 A S E -C 72 0A 73 -2,-0.4 2,-0.6 5,-0.2 5,-0.2 -0.843 10.5-171.2 -97.0 137.3 3.6 22.5 22.3 68 68 A L E > S-C 71 0A 7 3,-3.3 3,-1.9 -2,-0.5 2,-0.7 -0.934 71.8 -49.9-120.2 95.8 4.0 25.3 24.8 69 69 A G T 3 S- 0 0 65 -2,-0.6 -2,-0.0 -24,-0.3 -25,-0.0 -0.712 124.2 -25.9 75.5-117.6 1.8 28.2 23.6 70 70 A K T 3 S+ 0 0 209 -2,-0.7 2,-0.4 -3,-0.1 -1,-0.3 0.313 120.2 99.3-109.8 4.6 2.8 28.4 19.9 71 71 A Q E < -C 68 0A 97 -3,-1.9 -3,-3.3 0, 0.0 2,-0.5 -0.829 63.1-144.2 -96.8 125.7 6.4 26.9 20.4 72 72 A I E -C 67 0A 72 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.780 20.1-177.4 -97.1 126.8 7.1 23.3 19.7 73 73 A H E -C 66 0A 1 -7,-3.3 -7,-2.6 -2,-0.5 2,-0.5 -0.814 22.4-132.7-118.2 156.7 9.5 21.5 21.9 74 74 A V E -Cd 65 92A 8 17,-2.3 19,-2.1 -2,-0.3 2,-0.3 -0.970 27.4-119.8-110.3 128.1 10.9 17.9 21.7 75 75 A L E - d 0 93A 17 -11,-2.9 2,-2.0 -2,-0.5 19,-0.2 -0.561 26.9-124.7 -65.4 127.5 10.8 16.0 25.0 76 76 A A + 0 0 0 17,-2.9 19,-0.4 -2,-0.3 -1,-0.1 -0.545 54.2 151.6 -79.0 77.2 14.5 15.1 25.6 77 77 A T - 0 0 44 -2,-2.0 -1,-0.2 1,-0.2 3,-0.1 0.620 61.9 -9.6 -86.3 -17.0 13.8 11.4 26.0 78 78 A S S > S- 0 0 31 -3,-0.2 4,-2.1 1,-0.1 -1,-0.2 -0.948 72.5 -96.8-172.7 161.6 17.2 9.9 24.8 79 79 A P H > S+ 0 0 51 0, 0.0 4,-1.8 0, 0.0 5,-0.1 0.916 123.4 52.7 -58.4 -41.2 20.4 11.0 23.1 80 80 A E H > S+ 0 0 120 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.873 108.0 49.5 -62.8 -38.4 19.0 9.9 19.7 81 81 A T H > S+ 0 0 28 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 108.2 53.7 -68.3 -37.5 15.9 12.0 20.1 82 82 A V H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.872 105.4 54.2 -66.9 -32.6 17.9 15.0 21.1 83 83 A V H X S+ 0 0 40 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.871 105.9 52.9 -66.4 -37.4 19.9 14.6 17.9 84 84 A K H X S+ 0 0 139 -4,-1.5 4,-0.7 1,-0.2 -2,-0.2 0.890 110.6 47.5 -64.2 -38.1 16.7 14.6 15.8 85 85 A A H ><>S+ 0 0 2 -4,-1.9 5,-2.3 1,-0.2 3,-0.8 0.885 108.3 54.9 -66.9 -39.6 15.7 17.9 17.5 86 86 A A H ><5S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.851 95.3 68.1 -62.6 -33.8 19.2 19.3 16.8 87 87 A K H 3<5S+ 0 0 124 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.824 113.4 29.7 -53.8 -36.6 18.7 18.6 13.1 88 88 A Y T <<5S- 0 0 163 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.309 110.3-114.8-106.4 7.5 16.0 21.3 12.9 89 89 A G T < 5 + 0 0 19 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.773 59.7 161.8 64.5 28.2 17.3 23.6 15.7 90 90 A M < - 0 0 41 -5,-2.3 -1,-0.2 -6,-0.1 -17,-0.1 -0.536 40.4-109.9 -83.1 147.5 14.2 22.8 17.8 91 91 A P - 0 0 12 0, 0.0 -17,-2.3 0, 0.0 2,-0.2 -0.371 30.9-129.8 -75.2 152.6 14.1 23.5 21.6 92 92 A L E -d 74 0A 0 -19,-0.2 35,-2.2 -2,-0.1 2,-0.5 -0.640 2.8-143.5-101.1 163.0 14.1 20.7 24.1 93 93 A L E -de 75 127A 3 -19,-2.1 -17,-2.9 -2,-0.2 2,-0.4 -0.989 21.5-146.9-125.8 112.7 11.9 20.0 27.1 94 94 A F E - e 0 128A 0 33,-2.6 35,-2.3 -2,-0.5 2,-0.1 -0.731 16.2-120.8 -86.6 131.7 13.9 18.4 29.9 95 95 A K > - 0 0 28 -2,-0.4 3,-1.0 -19,-0.4 8,-0.1 -0.403 3.6-143.2 -73.0 138.6 12.1 15.9 32.2 96 96 A W T 3 S+ 0 0 0 1,-0.2 35,-0.2 -2,-0.1 -1,-0.1 0.739 101.6 60.4 -70.5 -23.8 11.9 16.6 36.0 97 97 A D T 3 S+ 0 0 22 2,-0.1 2,-0.4 33,-0.1 -1,-0.2 0.300 85.3 88.4 -90.3 4.0 12.4 12.9 36.6 98 98 A D S < S- 0 0 8 -3,-1.0 5,-0.0 70,-0.1 -4,-0.0 -0.842 89.7-109.6 -97.4 141.3 15.8 12.8 34.9 99 99 A S > - 0 0 22 -2,-0.4 4,-2.0 1,-0.1 3,-0.3 -0.262 27.8-111.1 -65.1 156.6 18.7 13.6 37.3 100 100 A Q H > S+ 0 0 27 64,-0.3 4,-2.2 1,-0.2 -1,-0.1 0.838 120.0 58.4 -55.3 -37.2 20.5 17.0 36.8 101 101 A Q H > S+ 0 0 130 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.875 106.1 47.2 -62.2 -42.4 23.5 15.1 35.6 102 102 A K H > S+ 0 0 85 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.869 109.9 53.0 -68.0 -42.4 21.5 13.3 32.8 103 103 A R H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.905 109.7 49.0 -57.7 -47.2 20.0 16.7 31.7 104 104 A I H X S+ 0 0 57 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.907 110.2 50.7 -62.3 -43.2 23.4 18.2 31.4 105 105 A E H X S+ 0 0 110 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.941 112.7 47.8 -57.7 -47.5 24.6 15.2 29.4 106 106 A L H X S+ 0 0 8 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.890 109.3 50.6 -61.8 -45.1 21.6 15.5 27.1 107 107 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.887 112.7 47.3 -59.7 -42.1 22.0 19.3 26.5 108 108 A N H X S+ 0 0 74 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.852 109.6 52.9 -69.8 -33.6 25.7 18.9 25.6 109 109 A H H X S+ 0 0 79 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.864 110.4 49.0 -64.6 -40.5 24.8 16.0 23.2 110 110 A Y H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.932 111.2 49.2 -63.2 -47.3 22.3 18.3 21.6 111 111 A Q H X S+ 0 0 53 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.879 110.0 51.3 -62.0 -37.3 24.9 21.0 21.3 112 112 A A H X S+ 0 0 48 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.898 110.2 50.4 -65.4 -44.6 27.4 18.6 19.8 113 113 A A H X S+ 0 0 3 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.925 109.8 48.4 -57.3 -52.9 24.8 17.5 17.2 114 114 A A H X>S+ 0 0 2 -4,-2.4 5,-2.8 2,-0.2 4,-0.8 0.868 111.8 50.4 -56.0 -43.3 24.0 21.0 16.1 115 115 A A H ><5S+ 0 0 77 -4,-1.8 3,-0.5 1,-0.2 -1,-0.2 0.920 111.6 48.8 -64.9 -43.3 27.7 21.8 15.8 116 116 A K H 3<5S+ 0 0 167 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.828 116.9 40.4 -61.9 -41.7 28.1 18.7 13.7 117 117 A F H 3<5S- 0 0 93 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.444 110.7-121.9 -85.9 -6.4 25.1 19.6 11.4 118 118 A N T <<5 + 0 0 150 -4,-0.8 2,-0.5 -3,-0.5 -3,-0.2 0.887 55.7 157.7 62.3 48.7 26.1 23.2 11.3 119 119 A V < - 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0 0 47 -2,-0.3 4,-2.1 -39,-0.2 5,-0.1 -0.265 68.8 -99.1 -81.6 168.0 12.7 27.2 52.0 174 174 A F H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.940 120.1 47.3 -53.5 -55.7 12.2 30.0 49.4 175 175 A D H > S+ 0 0 102 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.836 111.6 50.9 -59.4 -40.4 15.8 31.4 49.4 176 176 A T H > S+ 0 0 79 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.921 112.0 47.4 -61.4 -45.6 17.3 27.9 49.1 177 177 A C H X S+ 0 0 10 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.889 108.7 54.4 -63.5 -43.2 15.0 27.0 46.1 178 178 A L H X S+ 0 0 44 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.943 116.2 38.3 -54.0 -56.4 15.8 30.4 44.3 179 179 A H H X S+ 0 0 118 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.878 114.9 52.9 -62.8 -45.4 19.5 29.7 44.5 180 180 A H H X S+ 0 0 64 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.915 111.6 46.8 -62.3 -42.0 19.3 26.0 43.8 181 181 A V H X S+ 0 0 17 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.927 110.7 51.3 -67.2 -44.4 17.2 26.6 40.7 182 182 A A H X S+ 0 0 38 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.893 109.9 52.4 -57.8 -38.5 19.6 29.3 39.5 183 183 A E H X S+ 0 0 123 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.918 108.4 48.8 -61.4 -49.0 22.4 26.8 40.0 184 184 A M H X S+ 0 0 8 -4,-2.2 4,-0.9 2,-0.2 -1,-0.2 0.893 109.3 52.7 -60.0 -43.3 20.7 24.2 37.9 185 185 A A H ><>S+ 0 0 0 -4,-2.3 5,-3.1 1,-0.2 3,-0.8 0.874 107.8 51.8 -58.4 -43.8 20.1 26.7 35.2 186 186 A Q H ><5S+ 0 0 110 -4,-2.2 3,-1.6 1,-0.3 -1,-0.2 0.875 103.9 57.2 -61.0 -39.4 23.8 27.5 35.2 187 187 A G H 3<5S+ 0 0 27 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.770 107.9 49.5 -59.4 -29.6 24.5 23.8 34.9 188 188 A L T X<5S- 0 0 0 -4,-0.9 3,-2.0 -3,-0.8 -1,-0.3 -0.137 125.5-102.7-106.4 32.6 22.4 24.0 31.7 189 189 A N T < 5 - 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