==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 15-DEC-09 3L2K . COMPND 2 MOLECULE: EHPF; . SOURCE 2 ORGANISM_SCIENTIFIC: PANTOEA AGGLOMERANS; . AUTHOR A.K.BERA,V.ATANASOVA,J.F.PARSONS . 704 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 484 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 85 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 2 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 . 1 0.1 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 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 200 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 1 0 1 3 1 1 4 1 5 2 0 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 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 . 3 5 0 3 2 2 1 1 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 . 2 0 0 1 1 0 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 0 169 0, 0.0 82,-0.1 0, 0.0 81,-0.0 0.000 360.0 360.0 360.0 138.3 52.3 36.3 50.8 2 4 A Y >> + 0 0 78 80,-0.2 4,-2.1 2,-0.0 3,-1.0 0.222 360.0 119.4-141.8 7.7 50.7 35.8 54.4 3 5 A S H 3> S+ 0 0 54 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.719 75.8 53.2 -54.8 -25.4 53.5 34.2 56.4 4 6 A L H 3> S+ 0 0 134 2,-0.2 4,-1.1 3,-0.1 -1,-0.3 0.814 108.0 50.2 -85.6 -22.5 53.7 37.0 58.9 5 7 A E H X> S+ 0 0 110 -3,-1.0 4,-0.9 2,-0.2 3,-0.8 0.996 111.9 50.1 -62.0 -58.1 50.0 36.7 59.6 6 8 A I H 3X S+ 0 0 24 -4,-2.1 4,-1.7 1,-0.3 3,-0.4 0.777 104.6 56.0 -43.1 -49.3 50.6 32.9 60.0 7 9 A D H 3X S+ 0 0 71 -4,-2.0 4,-3.5 1,-0.2 -1,-0.3 0.900 99.5 62.1 -50.5 -47.4 53.5 33.4 62.5 8 10 A A H X S+ 0 0 131 -4,-3.5 3,-2.1 -5,-0.2 4,-1.4 0.991 111.4 43.4 -55.7 -60.4 52.9 32.6 68.4 12 14 A A H 3<>S+ 0 0 5 -4,-2.7 5,-0.5 1,-0.3 -2,-0.2 0.871 101.1 76.3 -50.2 -41.0 49.4 32.9 70.1 13 15 A A H 3<5S+ 0 0 12 -4,-3.2 -1,-0.3 -5,-0.2 -2,-0.2 0.721 106.6 25.3 -48.4 -32.1 49.4 29.1 70.0 14 16 A Q H <<5S+ 0 0 123 -3,-2.1 2,-4.2 -4,-0.5 -1,-0.2 0.826 97.2 79.7-111.8 -31.7 51.9 28.8 73.0 15 17 A I T <5S- 0 0 119 -4,-1.4 -1,-0.2 1,-0.1 -4,-0.0 -0.392 110.3-117.1 -58.4 50.2 51.6 32.0 75.0 16 18 A N T 5 + 0 0 53 -2,-4.2 -3,-0.1 -3,-0.2 -2,-0.1 0.356 67.7 133.9 23.3 76.4 48.7 29.9 76.1 17 19 A D >< - 0 0 51 -5,-0.5 4,-2.0 1,-0.1 3,-0.5 -0.263 32.0-172.3-162.3 79.8 45.4 31.7 75.2 18 20 A T H > S+ 0 0 20 322,-0.2 4,-3.5 1,-0.2 3,-0.3 0.842 84.6 63.9 7.5 -84.0 42.7 29.7 73.6 19 21 A N H > S+ 0 0 70 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.737 105.1 33.9 -32.3 -70.5 41.0 33.0 73.2 20 22 A N H > S+ 0 0 84 -3,-0.5 4,-2.8 2,-0.2 -1,-0.3 0.882 119.6 52.3 -65.4 -42.5 43.1 35.1 70.9 21 23 A F H X S+ 0 0 0 -4,-2.0 4,-2.1 -3,-0.3 5,-0.3 0.950 108.5 50.9 -55.4 -54.9 44.2 32.1 68.9 22 24 A V H X S+ 0 0 0 -4,-3.5 4,-3.0 -5,-0.3 5,-0.2 0.950 114.6 43.7 -50.7 -51.2 40.6 30.9 68.3 23 25 A Q H X S+ 0 0 43 -4,-2.6 4,-2.1 32,-0.4 3,-0.3 0.993 109.9 54.1 -65.0 -58.8 39.7 34.4 67.0 24 26 A A H X S+ 0 0 32 -4,-2.8 4,-1.2 1,-0.2 -1,-0.2 0.805 116.7 39.8 -31.9 -43.9 42.7 34.9 64.9 25 27 A L H X S+ 0 0 0 -4,-2.1 4,-3.6 2,-0.2 5,-0.3 0.793 105.8 60.4 -89.3 -32.9 42.0 31.5 63.1 26 28 A M H X S+ 0 0 2 -4,-3.0 4,-1.3 -5,-0.3 -1,-0.2 0.876 111.9 44.8 -51.5 -34.6 38.3 32.0 62.9 27 29 A R H X S+ 0 0 140 -4,-2.1 4,-2.0 -5,-0.2 8,-0.2 0.847 110.7 53.6 -75.6 -40.7 39.4 35.0 60.9 28 30 A W H < S+ 0 0 7 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.2 0.948 114.8 40.8 -64.3 -46.1 41.9 33.0 58.9 29 31 A H H < S+ 0 0 1 -4,-3.6 7,-0.3 1,-0.2 -1,-0.2 0.812 124.1 30.8 -77.4 -29.9 39.4 30.5 57.9 30 32 A F H < S+ 0 0 5 -4,-1.3 2,-1.2 -5,-0.3 -1,-0.2 0.730 87.3 104.7-106.5 -20.6 36.4 32.5 57.1 31 33 A S S >X S- 0 0 32 -4,-2.0 4,-1.1 -5,-0.2 3,-0.9 -0.547 76.1-123.7 -73.7 95.5 37.8 35.8 55.9 32 34 A K T 34 S+ 0 0 136 -2,-1.2 -1,-0.1 1,-0.2 8,-0.1 0.391 102.0 50.9 26.0 -76.1 37.5 35.9 52.0 33 35 A E T 34 S+ 0 0 124 1,-0.1 -1,-0.2 49,-0.0 48,-0.1 0.980 124.5 20.4 -45.5 -72.9 41.2 36.5 51.1 34 36 A T T <4 S+ 0 0 6 -3,-0.9 48,-2.0 -7,-0.1 49,-0.2 0.763 94.4 106.8 -80.9 -38.9 42.8 33.6 53.1 35 37 A G S < S- 0 0 0 -4,-1.1 46,-1.4 -8,-0.2 -6,-0.2 0.133 75.5 -92.3 -43.5 150.3 40.1 30.9 53.9 36 38 A S > - 0 0 2 44,-0.3 4,-2.2 -7,-0.3 5,-0.1 -0.395 31.1-127.9 -39.7 131.0 39.6 27.5 52.5 37 39 A P H > S+ 0 0 52 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.878 110.3 59.0 -48.6 -39.6 37.1 27.5 49.6 38 40 A F H > S+ 0 0 13 39,-2.7 4,-1.0 1,-0.2 40,-0.1 0.953 111.2 35.2 -64.7 -52.4 35.3 24.8 51.6 39 41 A W H > S+ 0 0 5 38,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.874 114.5 56.7 -68.9 -40.1 34.7 26.8 54.7 40 42 A L H X S+ 0 0 50 -4,-2.2 4,-0.6 1,-0.3 3,-0.5 0.931 111.3 46.0 -52.1 -45.9 34.2 30.1 52.8 41 43 A G H < S+ 0 0 44 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.719 112.6 51.5 -68.0 -23.7 31.4 28.1 51.0 42 44 A M H >X S+ 0 0 31 -4,-1.0 3,-2.6 -5,-0.2 4,-0.6 0.776 86.9 82.5 -85.1 -22.4 30.2 26.8 54.2 43 45 A R H >< S+ 0 0 80 -4,-1.9 3,-1.4 -3,-0.5 5,-0.3 0.867 87.8 55.9 -54.1 -45.4 29.9 30.3 56.1 44 46 A E T 3< S+ 0 0 159 -4,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.580 102.2 58.1 -64.8 -6.2 26.5 31.0 54.6 45 47 A Q T <4 S+ 0 0 136 -3,-2.6 2,-0.2 -4,-0.1 -1,-0.2 0.609 87.8 94.6 -97.3 -13.9 25.1 27.7 56.0 46 48 A L << - 0 0 34 -3,-1.4 2,-0.3 -4,-0.6 17,-0.1 -0.560 68.7-143.1 -76.6 137.9 25.9 28.5 59.6 47 49 A N S S+ 0 0 146 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.282 82.4 50.7 -96.0 46.0 23.4 30.0 62.0 48 50 A F S S- 0 0 21 -2,-0.3 -2,-0.1 -5,-0.3 6,-0.0 -0.860 89.1-104.9-168.1 151.4 26.0 32.2 63.8 49 51 A D > - 0 0 57 -2,-0.2 4,-1.7 1,-0.2 -2,-0.0 -0.703 24.3-149.1 -88.6 110.9 28.7 34.7 62.8 50 52 A P T 4 S+ 0 0 1 0, 0.0 -1,-0.2 0, 0.0 -24,-0.1 0.621 95.4 43.5 -59.2 -13.1 32.1 32.9 63.2 51 53 A I T 4 S+ 0 0 44 2,-0.1 3,-0.4 -24,-0.1 -24,-0.1 0.900 117.9 35.0 -93.9 -49.1 33.6 36.2 63.9 52 54 A K T 4 S+ 0 0 141 1,-0.3 2,-0.8 -3,-0.0 -4,-0.0 0.953 123.6 35.0 -80.2 -50.0 31.2 38.0 66.3 53 55 A D S < S+ 0 0 70 -4,-1.7 -1,-0.3 1,-0.1 -2,-0.1 -0.827 100.4 79.0-109.7 86.8 29.8 35.3 68.5 54 56 A V + 0 0 0 -2,-0.8 -28,-0.1 -3,-0.4 -1,-0.1 -0.283 42.1 136.0 173.1 92.9 32.7 32.8 68.8 55 57 A K + 0 0 84 -33,-0.0 -32,-0.4 -2,-0.0 -33,-0.2 0.789 55.6 51.6-117.6 -47.5 35.4 33.8 71.4 56 58 A T S S- 0 0 50 -34,-0.1 4,-0.3 1,-0.1 -1,-0.0 -0.411 81.9-113.7 -90.1 164.8 36.6 30.8 73.6 57 59 A I S > S+ 0 0 29 1,-0.2 3,-1.1 2,-0.2 -1,-0.1 0.820 124.1 54.5 -56.9 -33.6 37.7 27.3 72.5 58 60 A N G > S+ 0 0 89 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.777 91.5 71.7 -75.4 -33.2 34.6 26.1 74.1 59 61 A D G > S+ 0 0 48 1,-0.3 3,-0.9 2,-0.1 -1,-0.3 0.565 81.3 73.7 -57.4 -20.9 32.7 28.6 72.0 60 62 A L G X + 0 0 2 -3,-1.1 3,-1.7 -4,-0.3 -1,-0.3 0.439 64.5 100.2 -70.7 -4.2 33.4 26.3 69.0 61 63 A R G < S+ 0 0 63 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.1 0.714 70.5 70.4 -50.1 -20.2 30.8 23.9 70.6 62 64 A Q G < S+ 0 0 82 -3,-0.9 2,-0.4 2,-0.1 -1,-0.2 0.291 77.8 80.2 -87.7 2.1 28.4 25.4 67.9 63 65 A F S < S- 0 0 6 -3,-1.7 2,-0.2 -17,-0.1 3,-0.0 -0.847 76.0-136.8 -94.6 147.0 29.8 24.0 64.7 64 66 A S - 0 0 96 -2,-0.4 2,-0.3 1,-0.1 261,-0.1 -0.687 34.7 -82.6 -99.4 166.3 28.7 20.4 64.1 65 67 A D - 0 0 60 259,-0.4 3,-0.4 -2,-0.2 259,-0.1 -0.433 40.0-163.2 -62.5 116.9 31.0 17.6 62.8 66 68 A I > + 0 0 11 257,-0.5 4,-0.5 -2,-0.3 3,-0.4 -0.126 51.6 117.3 -96.1 40.5 31.2 18.0 59.0 67 69 A S T >4 + 0 0 18 1,-0.2 3,-1.6 2,-0.2 4,-0.4 0.907 60.6 72.3 -75.7 -36.5 32.6 14.6 58.1 68 70 A H G >4 S+ 0 0 166 -3,-0.4 3,-0.9 1,-0.3 4,-0.4 0.853 101.7 51.2 -34.2 -40.7 29.5 13.5 56.1 69 71 A C G >> S+ 0 0 49 -3,-0.4 4,-2.6 1,-0.3 3,-0.8 0.723 90.0 70.0 -72.5 -37.9 30.9 16.1 53.6 70 72 A L G << S+ 0 0 8 -3,-1.6 33,-2.0 -4,-0.5 -1,-0.3 0.403 87.4 68.6 -72.9 -2.2 34.5 15.1 53.2 71 73 A R G <4 S+ 0 0 60 -3,-0.9 -1,-0.3 -4,-0.4 -2,-0.2 0.896 117.8 21.0 -81.2 -37.9 33.5 12.0 51.4 72 74 A Q T <4 S+ 0 0 122 -3,-0.8 -2,-0.2 -4,-0.4 -3,-0.1 0.702 93.9 107.5 -95.3 -27.2 32.3 14.1 48.4 73 75 A E S < S- 0 0 43 -4,-2.6 2,-0.2 1,-0.1 30,-0.1 -0.422 76.8-118.8 -70.8 121.3 34.1 17.4 48.8 74 76 A P > - 0 0 63 0, 0.0 3,-2.2 0, 0.0 4,-0.1 -0.390 24.4-129.9 -65.1 123.0 36.8 17.6 46.1 75 77 A V G > S+ 0 0 1 1,-0.3 3,-3.3 2,-0.2 4,-0.4 0.794 98.4 75.7 -50.9 -36.3 40.0 17.9 48.1 76 78 A A G > S+ 0 0 65 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.842 92.0 58.4 -45.7 -37.1 41.4 21.0 46.3 77 79 A N G < S+ 0 0 56 -3,-2.2 -39,-2.7 1,-0.3 -1,-0.3 0.416 90.8 68.8 -71.8 2.3 38.8 23.1 48.2 78 80 A L G < S+ 0 0 10 -3,-3.3 -1,-0.3 -41,-0.2 243,-0.2 0.653 76.9 101.5 -95.3 -7.1 40.0 22.1 51.7 79 81 A V S < S- 0 0 31 -3,-1.4 2,-0.3 -4,-0.4 241,-0.1 -0.667 79.4-121.9 -92.4 112.4 43.2 24.1 51.1 80 82 A P > - 0 0 2 0, 0.0 3,-1.8 0, 0.0 -44,-0.3 -0.454 17.1-138.1 -55.0 114.9 43.4 27.6 52.9 81 83 A Q T 3 S+ 0 0 144 -46,-1.4 -46,-0.2 -2,-0.3 -47,-0.1 0.597 96.8 64.6 -48.7 -20.2 44.0 30.1 50.1 82 84 A G T 3 S+ 0 0 5 -48,-2.0 -1,-0.3 236,-0.1 -80,-0.2 0.312 75.4 105.2 -97.5 8.1 46.6 31.9 52.3 83 85 A L S < S- 0 0 21 -3,-1.8 4,-0.1 -49,-0.2 -4,-0.0 -0.604 82.4 -90.5 -78.3 146.6 49.1 29.1 52.6 84 86 A P > - 0 0 71 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.079 30.6-109.3 -58.7 159.9 52.3 29.6 50.6 85 87 A A G > S+ 0 0 113 1,-0.2 3,-0.6 2,-0.1 2,-0.2 0.947 121.1 46.6 -42.9 -58.7 52.7 28.3 47.0 86 88 A D G 3 S+ 0 0 128 1,-0.2 -1,-0.2 2,-0.1 -3,-0.0 0.066 70.8 123.2 -82.9 29.4 55.1 25.6 48.3 87 89 A S G < - 0 0 19 -3,-1.5 21,-0.7 -2,-0.2 22,-0.5 0.855 66.7-139.6 -57.4 -39.2 53.0 24.5 51.3 88 90 A H < - 0 0 90 -3,-0.6 20,-0.7 -4,-0.2 -2,-0.1 0.988 18.9-149.8 80.8 68.3 53.1 20.9 49.8 89 91 A P - 0 0 41 0, 0.0 2,-0.3 0, 0.0 18,-0.2 -0.037 14.2-169.4 -68.4 157.6 49.5 19.5 50.3 90 92 A Q - 0 0 22 16,-0.4 16,-3.1 421,-0.1 2,-0.3 -0.899 17.8-130.3-158.1 136.8 48.7 15.8 50.8 91 93 A V E +A 105 0A 9 421,-0.3 2,-0.3 -2,-0.3 14,-0.2 -0.581 24.4 176.1 -83.6 134.5 45.6 13.6 50.8 92 94 A Y E -A 104 0A 17 12,-2.3 12,-2.4 -2,-0.3 2,-0.2 -0.958 17.1-143.7-133.8 147.8 45.0 11.2 53.7 93 95 A E - 0 0 4 48,-2.3 2,-0.5 -2,-0.3 50,-0.5 -0.666 10.6-130.9-110.3 164.4 41.9 9.0 54.0 94 96 A S - 0 0 23 8,-0.4 8,-1.1 -2,-0.2 48,-0.1 -0.887 61.0 -69.7-125.4 94.3 40.0 8.0 57.2 95 97 A G - 0 0 30 -2,-0.5 -1,-0.0 1,-0.2 47,-0.0 0.704 39.6-159.3 15.1 92.1 39.4 4.1 57.3 96 98 A G + 0 0 0 4,-0.1 2,-0.4 5,-0.1 3,-0.3 -0.006 43.4 145.0 -76.5 20.4 36.8 3.3 54.5 97 99 A T S S- 0 0 44 1,-0.2 71,-0.1 2,-0.1 70,-0.0 -0.668 82.1 -30.9 -58.0 124.6 36.4 0.2 56.6 98 100 A T S S+ 0 0 114 -2,-0.4 -1,-0.2 69,-0.2 2,-0.0 0.668 142.6 49.9 -40.8 147.3 32.7 0.1 55.8 99 101 A G S S- 0 0 44 -3,-0.3 -2,-0.1 1,-0.1 0, 0.0 0.698 111.5-117.8 75.1 92.6 31.0 3.4 55.2 100 102 A A - 0 0 29 1,-0.2 -4,-0.1 -4,-0.1 -5,-0.1 -0.909 47.0 -37.4-127.4 124.2 34.0 4.1 52.8 101 103 A P - 0 0 4 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 0.911 35.0-146.9-118.1 156.3 36.5 6.7 53.0 102 104 A K - 0 0 49 -8,-1.1 -8,-0.4 -30,-0.0 -31,-0.2 -0.791 24.5-139.2 -99.4 121.2 36.7 10.4 54.1 103 105 A Y + 0 0 0 -33,-2.0 2,-0.3 -2,-0.5 -10,-0.2 -0.538 28.4 164.4 -82.7 135.1 39.3 12.6 52.2 104 106 A V E -A 92 0A 3 -12,-2.4 -12,-2.3 -2,-0.2 2,-0.5 -0.963 26.2-130.5-142.0 166.1 41.6 15.2 54.0 105 107 A V E +A 91 0A 3 -2,-0.3 2,-0.3 -14,-0.2 -14,-0.2 -0.955 20.9 177.7-122.7 130.5 44.6 17.3 53.4 106 108 A A - 0 0 1 -16,-3.1 -16,-0.4 -2,-0.5 2,-0.3 -0.909 13.2-144.1-130.0 169.2 47.8 17.8 55.4 107 109 A Y > - 0 0 1 -2,-0.3 4,-2.3 -18,-0.2 5,-0.2 -0.861 26.0-117.9-129.3 147.6 51.1 19.7 55.1 108 110 A D H > S+ 0 0 63 -20,-0.7 4,-2.7 -21,-0.7 5,-0.3 0.917 115.1 54.8 -49.4 -43.3 54.7 19.2 56.0 109 111 A A H > S+ 0 0 48 -22,-0.5 4,-3.4 1,-0.2 -1,-0.2 0.960 109.8 50.4 -57.7 -47.7 54.7 22.3 58.3 110 112 A W H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.933 113.2 41.5 -53.3 -60.7 51.7 20.8 60.1 111 113 A I H X S+ 0 0 7 -4,-2.3 4,-3.1 2,-0.2 5,-0.3 0.952 113.3 53.9 -57.8 -52.7 53.3 17.3 60.7 112 114 A E H X S+ 0 0 86 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.958 112.1 46.3 -38.4 -57.0 56.6 18.9 61.6 113 115 A A H X S+ 0 0 20 -4,-3.4 4,-1.8 -5,-0.3 -2,-0.2 0.925 110.6 51.6 -60.4 -43.4 54.8 21.0 64.2 114 116 A L H X S+ 0 0 2 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.963 113.7 45.4 -53.3 -44.9 52.8 18.0 65.5 115 117 A I H X S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-0.3 0.878 105.3 57.5 -75.4 -31.7 56.0 16.0 65.9 116 118 A S H X S+ 0 0 58 -4,-2.6 4,-1.9 -5,-0.3 -1,-0.2 0.943 110.7 47.5 -68.6 -29.9 58.1 18.7 67.5 117 119 A W H < S+ 0 0 44 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.927 111.0 48.8 -70.7 -50.0 55.4 18.8 70.1 118 120 A R H < S+ 0 0 7 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.941 119.0 40.1 -53.4 -41.0 55.3 15.1 70.6 119 121 A M H >X S+ 0 0 0 -4,-2.7 4,-3.2 -5,-0.2 3,-2.7 0.641 86.2 100.9 -96.4 -17.4 59.0 14.8 70.9 120 122 A S T 3< S+ 0 0 68 -4,-1.9 -3,-0.0 -5,-0.3 -4,-0.0 -0.267 74.8 53.9 -57.4 159.3 59.8 17.8 73.0 121 123 A G T 34 S+ 0 0 79 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.006 128.6 20.1 96.8 -39.2 60.3 16.5 76.4 122 124 A Y T X4 S+ 0 0 52 -3,-2.7 3,-0.9 2,-0.1 -2,-0.2 0.421 94.6 96.0-137.0 -8.5 62.9 14.0 75.1 123 125 A Q T 3< S+ 0 0 38 -4,-3.2 -3,-0.1 1,-0.2 -4,-0.0 0.883 105.8 19.7 -48.5 -38.5 64.1 15.4 71.8 124 126 A H T 3 S+ 0 0 174 -5,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.268 88.3 134.9-123.7 14.2 67.0 17.0 73.4 125 127 A R X - 0 0 108 -3,-0.9 3,-2.2 1,-0.1 -3,-0.0 -0.417 66.5-102.3 -71.6 128.2 67.3 15.1 76.6 126 128 A P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.146 102.6 8.7 -59.4 147.7 70.9 14.2 77.3 127 129 A G T 3 S+ 0 0 78 1,-0.2 3,-0.1 -3,-0.1 -2,-0.1 0.570 84.5 163.0 54.5 12.2 71.8 10.4 76.5 128 130 A R < - 0 0 51 -3,-2.2 -1,-0.2 1,-0.1 -6,-0.0 -0.320 45.1-100.6 -43.3 143.4 68.4 10.0 74.8 129 131 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.204 37.3-152.8 -70.5 160.9 68.6 6.8 72.8 130 132 A S + 0 0 59 -3,-0.1 2,-0.3 26,-0.0 26,-0.2 -0.932 32.5 83.9-136.9 164.3 69.2 6.6 69.0 131 133 A G - 0 0 12 24,-2.2 70,-0.1 -2,-0.3 24,-0.1 -0.884 66.1 -38.6 147.2 178.2 68.5 4.3 66.0 132 134 A N - 0 0 26 68,-0.5 70,-1.2 -2,-0.3 71,-0.9 -0.268 47.0-135.2 -70.1 166.3 66.0 3.2 63.4 133 135 A T E -bc 159 203B 2 25,-2.1 27,-3.7 69,-0.2 2,-0.7 -0.996 5.0-155.7-130.9 130.0 62.4 2.7 63.9 134 136 A L E -bc 160 204B 0 69,-2.9 71,-2.5 -2,-0.4 2,-0.8 -0.930 14.6-167.0 -98.4 114.1 60.3 -0.1 62.7 135 137 A A E -bc 161 205B 0 25,-3.8 2,-1.9 -2,-0.7 27,-0.7 -0.841 9.9-168.8-109.1 108.2 56.7 1.1 62.4 136 138 A A + 0 0 9 69,-2.7 25,-0.1 -2,-0.8 -1,-0.1 -0.180 52.9 107.7 -86.8 56.6 54.3 -1.7 62.0 137 139 A I S S- 0 0 18 -2,-1.9 25,-0.4 1,-0.1 27,-0.1 -0.806 77.8 -78.6-129.6 165.8 51.5 0.6 61.1 138 140 A P + 0 0 24 0, 0.0 7,-0.7 0, 0.0 27,-0.1 -0.299 44.5 168.8 -55.8 137.2 49.5 1.5 58.0 139 141 A T > + 0 0 21 25,-0.4 3,-2.8 23,-0.2 6,-0.2 0.174 44.8 80.2-112.0-108.6 51.2 3.9 55.6 140 142 A G T 3 S- 0 0 19 1,-0.3 6,-0.1 3,-0.1 376,-0.1 -0.165 119.1 -9.0 43.9-132.5 49.5 4.4 52.2 141 143 A P T 3 S+ 0 0 5 0, 0.0 -48,-2.3 0, 0.0 2,-0.6 0.509 112.4 108.0 -74.0 -0.4 46.6 6.9 52.5 142 144 A H X> - 0 0 24 -3,-2.8 3,-1.3 -50,-0.2 4,-0.6 -0.685 64.4-146.5 -90.3 120.3 46.8 6.8 56.3 143 145 A I H 3> S+ 0 0 2 -2,-0.6 4,-2.0 -50,-0.5 5,-0.2 0.645 93.0 71.0 -61.6 -16.2 48.2 9.8 58.0 144 146 A V H 3> S+ 0 0 33 2,-0.2 4,-3.2 1,-0.2 -1,-0.3 0.978 92.2 60.5 -63.2 -46.2 49.8 7.8 60.8 145 147 A G H <> S+ 0 0 5 -3,-1.3 4,-2.2 -7,-0.7 5,-0.2 0.893 108.6 41.5 -31.3 -59.8 52.3 6.6 58.2 146 148 A A H X S+ 0 0 26 -4,-0.6 4,-1.5 1,-0.3 -1,-0.2 0.808 112.8 52.6 -80.2 -33.2 53.5 10.1 57.6 147 149 A I H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -1,-0.3 0.800 111.4 48.6 -63.5 -37.0 53.5 11.2 61.2 148 150 A N H X S+ 0 0 9 -4,-3.2 4,-2.3 -5,-0.2 -2,-0.2 0.911 106.1 53.9 -74.1 -36.6 55.6 8.2 62.1 149 151 A K H X S+ 0 0 83 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.881 107.4 55.2 -54.8 -41.0 58.2 8.7 59.4 150 152 A E H X S+ 0 0 37 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.922 108.2 44.8 -66.8 -44.6 58.6 12.2 60.7 151 153 A R H >X S+ 0 0 8 -4,-1.6 3,-1.4 1,-0.2 4,-0.8 0.953 107.5 62.1 -58.4 -41.3 59.4 11.1 64.2 152 154 A A H >< S+ 0 0 0 -4,-2.3 3,-1.3 1,-0.3 5,-0.4 0.867 100.3 51.2 -65.6 -36.6 61.7 8.4 62.9 153 155 A L H >< S+ 0 0 65 -4,-1.9 3,-0.8 1,-0.3 -1,-0.3 0.738 104.2 56.8 -65.5 -29.6 64.1 10.9 61.3 154 156 A R H << S+ 0 0 59 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.648 100.3 60.1 -78.9 -6.5 64.4 12.9 64.3 155 157 A L T << S- 0 0 2 -3,-1.3 -24,-2.2 -4,-0.8 -1,-0.2 0.291 115.8-105.9-103.6 10.8 65.6 9.9 66.3 156 158 A G S < S+ 0 0 50 -3,-0.8 2,-0.3 1,-0.2 -3,-0.1 0.964 84.9 65.3 74.6 56.9 68.6 9.2 64.2 157 159 A G S S- 0 0 22 -5,-0.4 -1,-0.2 -27,-0.1 2,-0.2 -0.925 86.1 -69.4-173.6-161.8 68.1 6.2 62.0 158 160 A M - 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