==== 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 BIOSYNTHETIC PROTEIN 15-FEB-10 2X66 . COMPND 2 MOLECULE: PRNB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR X.ZHU,K.-H.VAN PEE,J.H.NAISMITH . 343 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15019.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 189 55.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.3 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 3 0 1 1 1 0 2 1 2 1 0 0 0 0 1 0 1 0 0 0 0 0 0 1 1 0 1 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 T 0 0 175 0, 0.0 2,-1.5 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 -67.0 3.5 41.5 17.2 2 5 A L > + 0 0 44 1,-0.2 3,-1.8 2,-0.1 4,-0.3 -0.364 360.0 159.1 -87.7 60.1 6.2 39.1 16.1 3 6 A D T 3 + 0 0 131 -2,-1.5 4,-0.3 1,-0.3 3,-0.2 0.539 60.6 64.8 -65.1 -13.1 7.5 41.6 13.5 4 7 A R T 3> S+ 0 0 67 1,-0.2 4,-0.7 -3,-0.2 3,-0.3 0.629 85.2 74.8 -83.7 -16.7 11.0 40.1 13.2 5 8 A V H <> S+ 0 0 38 -3,-1.8 4,-2.6 1,-0.2 3,-0.4 0.848 79.1 72.5 -62.3 -41.0 9.8 36.8 11.8 6 9 A G H > S+ 0 0 46 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.843 94.1 49.2 -50.1 -48.7 9.0 38.1 8.3 7 10 A V H > S+ 0 0 97 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.908 113.4 47.6 -65.5 -39.9 12.5 38.5 7.0 8 11 A F H X S+ 0 0 42 -4,-0.7 4,-1.9 -3,-0.4 3,-0.2 0.953 111.9 49.1 -62.1 -48.8 13.5 34.9 8.1 9 12 A A H X S+ 0 0 43 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.856 109.2 54.0 -60.7 -33.9 10.4 33.4 6.6 10 13 A A H X S+ 0 0 63 -4,-2.3 4,-1.5 -5,-0.3 -1,-0.2 0.875 105.5 52.4 -68.4 -37.6 11.2 35.3 3.3 11 14 A T H X S+ 0 0 77 -4,-1.8 4,-0.8 -3,-0.2 -2,-0.2 0.881 112.7 46.0 -65.2 -34.2 14.7 33.8 3.2 12 15 A H H >X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 3,-0.7 0.927 107.2 56.9 -70.3 -44.5 13.2 30.3 3.6 13 16 A A H 3X S+ 0 0 57 -4,-2.4 4,-2.0 1,-0.3 -1,-0.2 0.814 98.3 62.4 -58.3 -34.1 10.5 30.9 1.0 14 17 A A H 3X S+ 0 0 48 -4,-1.5 4,-0.5 2,-0.2 -1,-0.3 0.905 109.3 40.2 -58.0 -41.7 13.2 31.8 -1.7 15 18 A V H X< S+ 0 0 2 -4,-0.8 3,-1.3 -3,-0.7 -2,-0.2 0.938 113.7 54.1 -74.8 -45.7 14.7 28.2 -1.4 16 19 A A H 3< S+ 0 0 16 -4,-2.4 -2,-0.2 100,-0.3 -1,-0.2 0.767 107.8 51.0 -55.0 -29.2 11.2 26.7 -1.2 17 20 A A H 3< S+ 0 0 88 -4,-2.0 2,-0.3 -5,-0.2 -1,-0.2 0.649 93.4 95.3 -82.9 -13.2 10.2 28.4 -4.5 18 21 A S << + 0 0 18 -3,-1.3 3,-0.1 -4,-0.5 -3,-0.0 -0.626 37.7 165.5 -87.1 131.7 13.4 27.2 -6.3 19 22 A D > + 0 0 49 -2,-0.3 3,-2.0 1,-0.1 5,-0.1 -0.504 9.1 161.5-135.2 66.1 13.2 24.0 -8.4 20 23 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 43,-0.1 0.684 76.4 47.5 -72.4 -16.7 16.5 24.2 -10.4 21 24 A L T 3 S- 0 0 28 42,-0.1 -3,-0.0 -3,-0.1 42,-0.0 0.323 107.7-124.6 -99.9 6.1 16.5 20.4 -11.3 22 25 A Q < + 0 0 168 -3,-2.0 3,-0.1 1,-0.1 4,-0.1 0.948 64.9 141.9 53.5 52.9 12.8 20.6 -12.4 23 26 A A >> + 0 0 0 1,-0.1 4,-2.8 2,-0.1 3,-0.8 0.450 22.9 105.1-108.7 -2.4 12.2 17.8 -10.0 24 27 A R H 3> S+ 0 0 103 1,-0.3 4,-1.8 2,-0.2 -1,-0.1 0.885 85.4 43.0 -51.8 -52.4 8.8 18.6 -8.4 25 28 A A H 34 S+ 0 0 62 1,-0.2 -1,-0.3 2,-0.2 4,-0.3 0.755 116.5 51.2 -68.6 -23.0 6.7 16.1 -10.3 26 29 A L H X4 S+ 0 0 29 -3,-0.8 3,-1.7 2,-0.2 4,-0.4 0.922 105.4 51.0 -79.5 -46.8 9.4 13.5 -9.8 27 30 A V H >< S+ 0 0 1 -4,-2.8 3,-2.0 1,-0.3 100,-0.3 0.874 99.5 66.5 -64.6 -32.8 9.8 13.8 -6.1 28 31 A L T 3< S+ 0 0 69 -4,-1.8 4,-0.3 -5,-0.3 -1,-0.3 0.724 94.4 61.0 -55.1 -24.0 6.1 13.4 -5.6 29 32 A Q T <> S+ 0 0 107 -3,-1.7 4,-1.3 -4,-0.3 3,-0.4 0.636 83.6 84.2 -76.8 -16.1 6.5 9.8 -6.9 30 33 A L H <> S+ 0 0 0 -3,-2.0 4,-2.7 -4,-0.4 5,-0.2 0.874 79.6 57.5 -60.0 -45.8 8.8 8.9 -4.0 31 34 A P H > S+ 0 0 17 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.890 106.3 51.9 -54.2 -38.3 6.2 8.0 -1.3 32 35 A G H > S+ 0 0 20 -3,-0.4 4,-1.6 -4,-0.3 -2,-0.2 0.905 111.3 46.9 -63.1 -41.9 4.7 5.4 -3.6 33 36 A L H <>S+ 0 0 34 -4,-1.3 5,-2.5 2,-0.2 4,-0.3 0.880 111.1 51.4 -70.3 -37.0 8.1 3.8 -4.1 34 37 A N H ><5S+ 0 0 9 -4,-2.7 3,-1.4 94,-0.2 -2,-0.2 0.931 108.3 51.1 -64.0 -43.8 8.9 3.9 -0.5 35 38 A R H 3<5S+ 0 0 178 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.858 113.7 45.6 -61.2 -35.4 5.7 2.1 0.4 36 39 A N T 3<5S- 0 0 122 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.454 105.7-131.4 -88.1 -0.5 6.5 -0.5 -2.2 37 40 A K T < 5 + 0 0 134 -3,-1.4 2,-1.4 -4,-0.3 -3,-0.2 0.849 45.8 165.8 52.7 38.5 10.2 -0.8 -0.9 38 41 A D >< + 0 0 61 -5,-2.5 4,-2.1 1,-0.2 -1,-0.2 -0.640 10.6 171.1 -92.1 85.1 11.2 -0.4 -4.5 39 42 A V H > S+ 0 0 26 -2,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.924 77.2 48.8 -66.0 -47.3 14.9 0.3 -4.2 40 43 A P H > S+ 0 0 101 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.917 112.8 50.1 -57.1 -42.8 15.7 -0.0 -7.9 41 44 A G H > S+ 0 0 22 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.859 107.9 52.8 -61.5 -39.1 12.8 2.3 -8.7 42 45 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.942 112.1 45.2 -62.7 -46.5 14.0 4.8 -6.1 43 46 A V H X S+ 0 0 23 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.934 112.3 51.6 -58.8 -46.6 17.4 4.9 -7.7 44 47 A G H X S+ 0 0 39 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.864 110.1 49.3 -61.3 -39.3 15.9 5.1 -11.2 45 48 A L H >X S+ 0 0 5 -4,-2.2 3,-0.8 1,-0.2 4,-0.5 0.938 110.0 50.1 -67.1 -45.4 13.8 8.1 -10.2 46 49 A L H >X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 3,-1.5 0.897 106.6 56.3 -56.3 -42.3 16.7 9.9 -8.7 47 50 A R H 3< S+ 0 0 142 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.706 91.7 72.1 -68.7 -18.6 18.8 9.4 -11.9 48 51 A E H << S+ 0 0 131 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.781 119.5 14.1 -63.1 -26.8 16.0 11.1 -13.9 49 52 A F H << S+ 0 0 16 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.2 0.525 92.0 116.6-127.7 -9.6 17.1 14.4 -12.3 50 53 A L < - 0 0 13 -4,-2.1 2,-0.1 -5,-0.1 42,-0.0 -0.441 69.0-120.7 -62.0 123.8 20.5 13.9 -10.7 51 54 A P - 0 0 21 0, 0.0 44,-0.1 0, 0.0 4,-0.1 -0.431 30.0-178.6 -66.4 139.2 23.0 16.1 -12.5 52 55 A V S S+ 0 0 124 2,-0.2 3,-0.1 -2,-0.1 -2,-0.1 0.348 74.8 58.1-115.5 0.7 25.9 14.1 -14.1 53 56 A R S S- 0 0 235 1,-0.5 -1,-0.1 0, 0.0 2,-0.0 0.081 113.7 -94.3-120.9 23.0 27.9 17.0 -15.6 54 57 A G - 0 0 34 -3,-0.1 -1,-0.5 2,-0.0 -2,-0.2 -0.077 63.7 -43.8 77.4 171.4 28.6 19.0 -12.5 55 58 A L - 0 0 44 1,-0.1 2,-0.0 -4,-0.1 9,-0.0 -0.429 64.3 -98.6 -77.9 141.7 26.5 21.9 -11.2 56 59 A P > - 0 0 64 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 -0.372 32.9-131.0 -54.5 134.2 25.2 24.7 -13.5 57 60 A S T 3 S+ 0 0 131 1,-0.3 -2,-0.1 -3,-0.1 -3,-0.0 0.666 100.7 60.8 -70.7 -16.1 27.7 27.6 -13.2 58 61 A G T 3 S+ 0 0 73 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.480 78.5 117.3 -89.6 -3.8 24.9 30.3 -12.6 59 62 A W < - 0 0 49 -3,-1.4 2,-0.2 4,-0.1 -4,-0.0 -0.390 42.1-173.8 -61.8 137.7 23.7 28.6 -9.4 60 63 A G > - 0 0 36 -2,-0.1 4,-2.0 43,-0.0 5,-0.2 -0.381 50.7 -68.4-109.9-161.1 23.9 30.5 -6.1 61 64 A F H > S+ 0 0 82 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.872 129.5 56.0 -58.2 -41.2 23.1 29.4 -2.6 62 65 A V H > S+ 0 0 43 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 109.4 42.7 -62.7 -51.0 19.4 29.1 -3.3 63 66 A E H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 115.2 49.5 -60.7 -45.7 19.6 26.7 -6.3 64 67 A A H X S+ 0 0 1 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.924 112.3 47.8 -65.6 -41.5 22.2 24.5 -4.6 65 68 A A H X S+ 0 0 0 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.2 0.911 112.6 49.4 -62.5 -42.4 20.2 24.3 -1.4 66 69 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.877 110.9 49.6 -64.2 -39.4 17.1 23.4 -3.4 67 70 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 5,-0.3 0.893 109.9 51.0 -63.3 -43.3 19.0 20.8 -5.3 68 71 A M H X S+ 0 0 0 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.858 108.1 54.3 -63.3 -35.6 20.2 19.2 -2.1 69 72 A R H X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.959 111.4 42.7 -60.0 -51.5 16.7 19.2 -0.8 70 73 A D H < S+ 0 0 0 -4,-1.9 4,-0.5 1,-0.2 -2,-0.2 0.894 120.3 40.6 -72.4 -37.3 15.3 17.2 -3.8 71 74 A I H >X S+ 0 0 0 -4,-2.6 3,-1.5 1,-0.2 4,-0.9 0.908 108.5 67.4 -69.6 -40.3 18.2 14.8 -3.9 72 75 A G H >X S+ 0 0 0 -4,-2.5 4,-1.7 -5,-0.3 3,-0.9 0.837 89.2 59.6 -50.9 -43.6 18.2 14.7 -0.1 73 76 A F H 3X S+ 0 0 0 -4,-1.7 4,-1.3 1,-0.3 -1,-0.3 0.831 104.1 53.5 -55.7 -32.3 14.8 12.9 0.1 74 77 A F H <> S+ 0 0 0 -3,-1.5 4,-2.7 -4,-0.5 -1,-0.3 0.776 102.8 59.0 -68.4 -28.6 16.3 10.1 -1.9 75 78 A L H S+ 0 0 0 -4,-2.7 5,-2.0 1,-0.2 3,-0.3 0.922 114.6 46.7 -57.1 -41.7 17.7 4.7 0.3 79 82 A K H ><5S+ 0 0 51 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.878 104.0 63.2 -70.3 -35.6 19.2 4.3 3.8 80 83 A R H 3<5S+ 0 0 65 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.871 103.5 49.3 -53.9 -38.2 15.7 3.5 5.2 81 84 A H T 3<5S- 0 0 34 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.354 132.3 -92.8 -87.1 6.8 15.7 0.4 3.0 82 85 A G T < 5S+ 0 0 60 -3,-2.0 2,-0.4 1,-0.2 -3,-0.2 0.620 86.2 121.2 102.2 15.3 19.2 -0.7 4.2 83 86 A H < - 0 0 74 -5,-2.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.939 61.5-131.1-120.0 133.0 21.4 1.0 1.5 84 87 A E >> - 0 0 26 -2,-0.4 4,-1.4 1,-0.2 3,-1.1 -0.670 23.3-147.4 -70.5 116.4 24.2 3.5 1.6 85 88 A P H 3> S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 3,-0.4 0.891 96.2 55.2 -56.9 -42.0 23.1 6.0 -1.1 86 89 A A H 34 S+ 0 0 24 124,-0.4 7,-0.3 1,-0.2 6,-0.2 0.795 109.0 50.9 -61.9 -26.4 26.7 6.8 -2.2 87 90 A E H <4 S+ 0 0 155 -3,-1.1 -1,-0.2 1,-0.2 -3,-0.0 0.808 115.9 37.0 -80.0 -33.2 27.2 3.1 -2.7 88 91 A V H < S+ 0 0 54 -4,-1.4 -2,-0.2 -3,-0.4 -1,-0.2 0.529 110.7 60.4 -99.7 -7.1 24.2 2.4 -4.9 89 92 A V S >< S- 0 0 0 -4,-1.7 3,-1.9 -5,-0.2 4,-0.4 -0.867 77.1-148.2-121.9 95.7 24.2 5.6 -7.0 90 93 A P T 3 S+ 0 0 89 0, 0.0 -3,-0.1 0, 0.0 -2,-0.0 -0.354 84.7 21.3 -65.6 141.7 27.4 6.0 -9.0 91 94 A G T 3> S+ 0 0 50 -5,-0.2 4,-0.9 1,-0.0 -5,-0.1 0.349 97.1 105.4 84.5 -8.1 28.3 9.7 -9.5 92 95 A L H <> + 0 0 0 -3,-1.9 4,-2.4 -6,-0.2 3,-0.3 0.932 68.2 56.4 -70.6 -47.5 26.1 10.7 -6.5 93 96 A E H > S+ 0 0 67 -4,-0.4 4,-2.8 -7,-0.3 5,-0.2 0.916 104.4 52.2 -58.6 -43.4 28.8 11.4 -3.8 94 97 A P H > S+ 0 0 76 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.897 110.5 49.0 -58.1 -39.2 30.7 14.1 -5.9 95 98 A V H X S+ 0 0 8 -4,-0.9 4,-2.5 -3,-0.3 -2,-0.2 0.927 110.8 50.7 -64.2 -43.8 27.5 16.0 -6.5 96 99 A L H X S+ 0 0 1 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.929 112.7 46.3 -60.4 -44.7 26.7 15.8 -2.7 97 100 A L H X S+ 0 0 73 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.888 111.1 51.9 -66.3 -39.2 30.2 17.2 -2.0 98 101 A D H X S+ 0 0 70 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.878 111.6 47.3 -61.5 -39.8 29.8 19.9 -4.6 99 102 A L H X S+ 0 0 0 -4,-2.5 4,-1.6 2,-0.2 6,-0.2 0.854 108.8 53.7 -72.4 -36.0 26.5 20.9 -3.1 100 103 A A H X>S+ 0 0 16 -4,-2.1 4,-1.6 -5,-0.2 5,-1.1 0.901 110.9 47.9 -58.1 -44.4 28.0 20.9 0.4 101 104 A R H <5S+ 0 0 217 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.901 111.9 48.8 -62.8 -43.7 30.7 23.3 -1.0 102 105 A A H <5S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.762 123.8 31.0 -70.6 -26.9 28.1 25.6 -2.6 103 106 A T H <5S- 0 0 3 -4,-1.6 -1,-0.2 2,-0.2 -2,-0.2 0.516 95.9-129.9-107.5 -10.0 26.0 25.8 0.6 104 107 A N T <5S+ 0 0 98 -4,-1.6 -3,-0.2 1,-0.2 -4,-0.1 0.876 75.2 110.8 53.9 39.7 28.6 25.5 3.4 105 108 A L S - 0 0 0 -2,-0.1 4,-1.5 109,-0.1 3,-0.3 -0.742 41.9 -90.6-116.2 171.0 19.2 18.7 6.9 111 114 A L H > S+ 0 0 7 109,-0.3 4,-1.7 -2,-0.3 5,-0.3 0.890 125.7 58.0 -45.3 -46.6 16.1 19.8 8.8 112 115 A L H 4>S+ 0 0 13 141,-0.3 5,-2.5 1,-0.2 3,-0.4 0.929 104.2 50.9 -52.3 -50.1 16.2 23.1 7.0 113 116 A H H 45S+ 0 0 0 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.855 115.0 41.6 -55.2 -40.4 16.0 21.4 3.6 114 117 A V H <5S+ 0 0 5 -4,-1.5 -1,-0.2 -3,-0.2 -2,-0.2 0.623 126.5 25.1 -92.7 -12.6 13.0 19.2 4.5 115 118 A T T ><5S+ 0 0 2 -4,-1.7 3,-1.5 -3,-0.4 -3,-0.2 0.663 129.6 16.2-112.4 -84.8 10.9 21.8 6.5 116 119 A V T 3 5S+ 0 0 16 1,-0.3 -100,-0.3 -5,-0.3 -3,-0.2 0.753 128.3 48.9 -74.3 -23.8 11.3 25.6 5.8 117 120 A W T 3 > S- 0 0 46 1,-0.1 4,-3.5 2,-0.1 3,-2.0 -0.312 74.0-123.8 -65.3 146.9 1.5 23.0 -1.4 122 125 A A T 34 S+ 0 0 103 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.819 114.1 50.5 -54.6 -34.1 0.1 19.5 -1.8 123 126 A D T 34 S+ 0 0 98 1,-0.1 -1,-0.3 3,-0.0 -95,-0.1 0.374 123.8 27.9 -89.8 10.9 1.4 19.4 -5.4 124 127 A A T <4 S+ 0 0 12 -3,-2.0 -2,-0.2 -5,-0.1 -1,-0.1 0.607 83.4 113.1-135.1 -34.4 4.9 20.5 -4.4 125 128 A Q < 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259 A P H 3> S+ 0 0 39 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.872 116.4 58.8 -45.2 -42.8 26.9 29.1 8.7 257 260 A A H 3> S+ 0 0 63 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.844 106.3 47.4 -62.7 -33.4 25.9 32.3 10.5 258 261 A Y H <> S+ 0 0 24 -3,-1.0 4,-2.6 2,-0.2 -1,-0.2 0.825 106.7 55.7 -80.3 -29.9 24.9 30.4 13.6 259 262 A R H X S+ 0 0 53 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.872 110.6 47.8 -59.7 -35.8 28.1 28.3 13.6 260 263 A A H X S+ 0 0 61 -4,-1.8 4,-2.7 -5,-0.2 -2,-0.2 0.903 110.0 50.6 -73.8 -41.2 29.8 31.8 13.7 261 264 A V H X S+ 0 0 21 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.935 110.5 51.4 -55.9 -46.9 27.6 33.0 16.5 262 265 A Y H X S+ 0 0 16 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.929 111.8 45.4 -56.0 -48.9 28.4 29.8 18.4 263 266 A A H < S+ 0 0 65 -4,-1.9 3,-0.5 1,-0.2 -2,-0.2 0.906 107.1 58.5 -63.9 -45.4 32.2 30.3 17.9 264 267 A R H < S+ 0 0 137 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.863 114.7 36.7 -50.8 -39.6 32.1 34.0 18.9 265 268 A F H < S+ 0 0 4 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.632 87.3 120.2 -96.1 -11.1 30.6 33.1 22.3 266 269 A S S < S+ 0 0 49 -4,-1.2 2,-2.0 -3,-0.5 -29,-0.1 -0.191 86.2 1.3 -60.1 140.1 32.5 29.9 23.1 267 270 A G S S+ 0 0 51 -31,-1.1 -1,-0.2 1,-0.2 3,-0.1 -0.472 108.8 105.3 80.6 -66.1 34.6 29.9 26.3 268 271 A E S S- 0 0 86 -2,-2.0 -1,-0.2 -4,-0.2 -3,-0.0 0.090 88.8 -80.3 -37.3 146.6 33.5 33.5 27.1 269 272 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 -34,-0.1 -0.299 50.5-118.4 -54.2 139.6 30.9 34.1 29.9 270 273 A A > - 0 0 0 -36,-0.2 4,-2.1 -3,-0.1 3,-0.4 -0.273 29.8 -97.0 -77.2 165.2 27.3 33.5 28.8 271 274 A L H > S+ 0 0 0 -39,-2.9 4,-3.0 1,-0.2 3,-0.2 0.935 123.7 45.4 -47.6 -58.0 24.6 36.2 28.9 272 275 A I H > S+ 0 0 2 -39,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.795 108.3 57.2 -64.0 -26.5 23.2 35.2 32.3 273 276 A D H > S+ 0 0 23 -3,-0.4 4,-1.9 -40,-0.2 -1,-0.2 0.944 113.3 40.9 -64.5 -46.6 26.7 34.9 33.9 274 277 A R H X S+ 0 0 56 -4,-2.1 4,-2.3 -3,-0.2 -2,-0.2 0.911 115.3 51.1 -66.3 -45.9 27.3 38.5 32.9 275 278 A A H X S+ 0 0 0 -4,-3.0 4,-2.7 -5,-0.2 -2,-0.2 0.944 112.0 46.3 -57.2 -48.4 23.8 39.6 33.9 276 279 A L H X S+ 0 0 7 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.838 111.2 52.0 -67.8 -33.0 24.1 37.9 37.4 277 280 A D H X S+ 0 0 78 -4,-1.9 4,-1.7 2,-0.2 -1,-0.2 0.896 110.3 49.2 -65.0 -41.5 27.6 39.4 37.9 278 281 A E H X S+ 0 0 37 -4,-2.3 4,-2.4 1,-0.2 5,-0.3 0.936 110.5 50.4 -65.3 -43.1 26.1 42.8 37.0 279 282 A A H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.889 109.4 51.3 -60.2 -41.3 23.2 42.3 39.5 280 283 A R H < S+ 0 0 169 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.832 113.6 44.2 -66.7 -33.4 25.6 41.3 42.3 281 284 A A H < S+ 0 0 89 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.913 124.1 32.1 -75.3 -44.5 27.8 44.4 41.8 282 285 A V H < S- 0 0 49 -4,-2.4 -2,-0.2 -5,-0.2 3,-0.2 0.813 106.0-128.7 -88.1 -34.9 25.0 47.0 41.5 283 286 A G >< - 0 0 25 -4,-2.5 3,-1.1 -5,-0.3 6,-0.2 0.126 18.0 -95.1 97.6 147.3 22.3 45.4 43.7 284 287 A T T 3 S+ 0 0 55 1,-0.2 6,-0.2 5,-0.1 -1,-0.1 0.349 107.3 86.2 -79.3 3.1 18.6 44.5 43.3 285 288 A R T 3 + 0 0 251 -3,-0.2 2,-0.5 4,-0.1 -1,-0.2 0.725 69.7 94.7 -66.1 -27.1 17.6 47.9 44.9 286 289 A D S <> S- 0 0 35 -3,-1.1 4,-2.2 1,-0.2 3,-0.3 -0.605 76.7-146.0 -68.4 116.9 17.9 49.1 41.3 287 290 A E H > S+ 0 0 136 -2,-0.5 4,-2.5 1,-0.2 5,-0.2 0.842 97.7 51.0 -52.1 -40.4 14.4 48.9 39.7 288 291 A H H > S+ 0 0 72 2,-0.2 4,-2.8 -124,-0.2 -1,-0.2 0.866 107.5 52.6 -70.9 -35.9 15.8 48.0 36.3 289 292 A V H > S+ 0 0 0 -3,-0.3 4,-2.9 2,-0.2 -2,-0.2 0.943 111.7 46.3 -62.6 -48.9 18.0 45.2 37.7 290 293 A R H X S+ 0 0 111 -4,-2.2 4,-2.1 -6,-0.2 -2,-0.2 0.922 116.3 44.6 -55.7 -50.4 14.9 43.7 39.4 291 294 A A H X S+ 0 0 30 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.870 113.4 51.2 -64.8 -40.3 12.8 44.1 36.3 292 295 A G H X S+ 0 0 0 -4,-2.8 4,-2.2 -129,-0.3 -2,-0.2 0.943 112.4 45.5 -59.7 -50.6 15.6 42.7 34.1 293 296 A L H X S+ 0 0 0 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.862 112.1 51.4 -63.6 -36.7 16.1 39.7 36.3 294 297 A T H X S+ 0 0 43 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.922 111.4 47.5 -66.0 -44.1 12.4 39.0 36.5 295 298 A A H X S+ 0 0 0 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.876 110.0 53.4 -64.8 -37.4 12.0 39.2 32.7 296 299 A L H X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.3 0.890 103.8 55.5 -67.2 -40.1 15.0 36.9 32.3 297 300 A E H X S+ 0 0 56 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.872 104.2 54.8 -58.1 -40.6 13.4 34.3 34.6 298 301 A R H X S+ 0 0 98 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.804 102.3 57.5 -62.2 -33.0 10.4 34.3 32.3 299 302 A V H X S+ 0 0 0 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.940 108.7 45.8 -59.9 -46.7 12.7 33.4 29.4 300 303 A F H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 -2,-0.2 0.899 108.6 57.0 -66.6 -37.9 13.8 30.3 31.4 301 304 A K H X S+ 0 0 95 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.915 107.8 46.8 -55.1 -47.0 10.2 29.5 32.1 302 305 A V H X S+ 0 0 1 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.906 109.3 53.4 -69.7 -36.9 9.3 29.4 28.4 303 306 A L H X S+ 0 0 3 -4,-2.0 4,-2.8 1,-0.2 3,-0.4 0.908 110.9 48.6 -57.6 -38.8 12.4 27.3 27.6 304 307 A L H X S+ 0 0 12 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.817 104.4 58.0 -74.1 -30.5 11.1 24.9 30.3 305 308 A R H < S+ 0 0 75 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.677 114.6 39.3 -70.4 -22.3 7.6 24.9 28.8 306 309 A F H X S+ 0 0 22 -4,-1.2 4,-1.7 -3,-0.4 -2,-0.2 0.877 118.5 47.0 -80.1 -52.7 9.2 23.7 25.6 307 310 A R H X S+ 0 0 14 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.879 109.5 47.0 -67.3 -46.3 11.7 21.3 27.1 308 311 A A H X S+ 0 0 17 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.924 116.4 43.6 -66.9 -44.3 9.7 19.3 29.7 309 312 A P H > S+ 0 0 44 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.830 110.3 57.6 -68.1 -28.1 6.7 18.5 27.4 310 313 A H H X S+ 0 0 50 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.923 103.2 54.3 -65.2 -40.7 9.2 17.7 24.6 311 314 A L H X S+ 0 0 26 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.833 108.2 48.3 -59.6 -36.3 10.7 15.0 26.8 312 315 A K H X S+ 0 0 126 -4,-1.2 4,-2.7 2,-0.2 -1,-0.2 0.909 109.6 52.5 -72.8 -40.6 7.3 13.4 27.4 313 316 A L H X S+ 0 0 30 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.946 112.3 45.9 -53.1 -52.4 6.6 13.4 23.6 314 317 A A H X S+ 0 0 17 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.878 112.9 49.3 -60.0 -42.5 10.0 11.7 23.0 315 318 A E H X S+ 0 0 91 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.904 107.5 54.6 -65.9 -39.7 9.4 9.1 25.8 316 319 A R H X S+ 0 0 110 -4,-2.7 4,-0.6 2,-0.2 -1,-0.2 0.859 110.8 47.6 -61.4 -35.7 5.9 8.3 24.5 317 320 A A H >< S+ 0 0 8 -4,-1.6 3,-1.0 1,-0.2 -2,-0.2 0.949 112.3 46.5 -67.6 -52.7 7.5 7.6 21.1 318 321 A Y H 3< S+ 0 0 120 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.620 97.4 75.7 -64.8 -16.9 10.3 5.4 22.5 319 322 A E H 3< 0 0 157 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.874 360.0 360.0 -62.1 -39.4 7.7 3.6 24.6 320 323 A V << 0 0 91 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.826 360.0 360.0 -99.7 360.0 6.5 1.7 21.5 321 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 322 336 A A 0 0 58 0, 0.0 2,-0.2 0, 0.0 -7,-0.1 0.000 360.0 360.0 360.0 159.7 14.7 8.0 25.2 323 337 A P > - 0 0 66 0, 0.0 3,-1.7 0, 0.0 4,-0.5 -0.429 360.0-131.4 -52.8 125.6 18.3 9.2 24.8 324 338 A S T 3> S+ 0 0 85 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.659 97.6 79.7 -55.4 -23.6 19.6 10.2 28.3 325 339 A M H 3> S+ 0 0 35 1,-0.2 4,-2.3 2,-0.2 -1,-0.3 0.809 85.5 59.4 -55.4 -36.0 20.8 13.5 26.9 326 340 A L H <> S+ 0 0 44 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.931 105.2 47.1 -62.4 -48.1 17.3 15.0 27.0 327 341 A G H > S+ 0 0 29 -4,-0.5 4,-2.0 -3,-0.2 -1,-0.2 0.893 112.8 49.9 -58.2 -43.2 17.0 14.5 30.8 328 342 A E H X S+ 0 0 67 -4,-1.7 4,-2.3 2,-0.2 -1,-0.2 0.871 109.5 49.9 -68.1 -39.5 20.4 15.9 31.4 329 343 A L H X S+ 0 0 11 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.912 109.1 53.4 -64.0 -41.9 19.7 19.1 29.3 330 344 A L H X S+ 0 0 20 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.910 108.7 49.6 -56.2 -45.9 16.4 19.5 31.2 331 345 A T H X S+ 0 0 94 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.916 109.4 51.2 -61.9 -45.7 18.4 19.4 34.5 332 346 A L H X S+ 0 0 35 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.861 108.9 51.7 -58.3 -38.3 20.9 22.0 33.2 333 347 A T H X S+ 0 0 0 -4,-2.1 4,-2.9 2,-0.2 -2,-0.2 0.907 108.0 51.3 -68.5 -42.6 18.0 24.3 32.2 334 348 A Y H X S+ 0 0 100 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.892 110.3 49.3 -59.6 -42.1 16.4 24.1 35.7 335 349 A A H X S+ 0 0 55 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.884 110.5 50.6 -68.4 -41.1 19.8 24.9 37.4 336 350 A A H X S+ 0 0 8 -4,-2.0 4,-1.6 2,-0.2 3,-0.3 0.969 112.3 46.2 -57.1 -53.9 20.2 27.9 35.1 337 351 A R H X S+ 0 0 40 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.903 110.5 54.7 -53.7 -44.0 16.7 29.1 35.9 338 352 A S H X S+ 0 0 60 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.844 102.9 55.1 -61.8 -36.3 17.4 28.6 39.6 339 353 A R H X S+ 0 0 103 -4,-1.9 4,-1.2 -3,-0.3 -1,-0.2 0.895 109.9 47.9 -59.7 -40.7 20.5 30.8 39.4 340 354 A V H < S+ 0 0 0 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.916 112.8 47.6 -68.1 -44.7 18.3 33.5 38.0 341 355 A R H >< S+ 0 0 107 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.837 106.9 56.4 -61.7 -40.3 15.6 33.0 40.8 342 356 A A H 3< S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.842 98.7 61.7 -65.1 -31.0 18.2 33.0 43.6 343 357 A A T 3< 0 0 34 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.701 360.0 360.0 -65.3 -18.1 19.4 36.4 42.4 344 358 A L < 0 0 58 -3,-1.1 -54,-0.0 -4,-0.4 -3,-0.0 -0.673 360.0 360.0 -99.2 360.0 15.9 37.8 43.2