==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 07-JAN-11 2Y4N . COMPND 2 MOLECULE: PHENYLACETATE-COENZYME A LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR A.LAW,M.J.BOULANGER . 848 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 591 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 67 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 4 0.5 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 . 64 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 27.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 1 2 0 2 5 1 2 0 0 0 2 0 2 0 0 2 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 5 3 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 4 4 1 2 1 0 1 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 2 2 1 1 0 0 0 1 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 5 A L 0 0 85 0, 0.0 2,-0.2 0, 0.0 119,-0.1 0.000 360.0 360.0 360.0 141.5 11.0 -7.9 22.0 2 6 A P - 0 0 96 0, 0.0 2,-0.1 0, 0.0 115,-0.1 -0.435 360.0-128.8 -81.9 135.8 13.1 -5.2 23.7 3 7 A L - 0 0 86 -2,-0.2 111,-0.0 114,-0.1 3,-0.0 -0.426 26.7-117.1 -49.8 146.9 12.0 -1.9 25.2 4 8 A E > - 0 0 55 -2,-0.1 3,-1.7 1,-0.1 4,-0.4 -0.730 28.0-120.0 -75.5 143.4 13.8 1.3 24.1 5 9 A P G > S+ 0 0 114 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.857 111.3 62.3 -54.1 -42.6 15.4 2.7 27.2 6 10 A I G > S+ 0 0 32 1,-0.3 3,-0.9 2,-0.2 305,-0.2 0.776 88.4 74.0 -52.6 -30.8 13.5 6.0 26.8 7 11 A E G < S+ 0 0 1 -3,-1.7 304,-2.3 1,-0.3 305,-0.5 0.772 114.7 18.3 -61.0 -31.6 10.3 4.0 27.3 8 12 A T G < S+ 0 0 84 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.080 95.3 126.4-126.5 24.1 10.9 3.6 31.1 9 13 A A S < S- 0 0 19 -3,-0.9 5,-0.1 -4,-0.3 -3,-0.0 -0.370 73.2 -71.7 -73.8 160.3 13.5 6.3 31.7 10 14 A S > - 0 0 63 1,-0.1 4,-2.4 -2,-0.1 -1,-0.2 -0.125 32.8-127.3 -56.0 150.4 12.8 8.9 34.5 11 15 A R H > S+ 0 0 77 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.928 111.4 59.4 -62.9 -38.3 10.1 11.5 34.0 12 16 A D H > S+ 0 0 134 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.891 107.8 44.5 -55.4 -45.6 12.7 14.1 34.9 13 17 A E H > S+ 0 0 111 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.946 113.1 52.0 -64.1 -44.4 14.8 13.0 31.9 14 18 A L H X S+ 0 0 3 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.915 107.9 51.3 -57.8 -45.4 11.7 12.9 29.7 15 19 A T H X S+ 0 0 52 -4,-3.3 4,-2.0 1,-0.2 -1,-0.2 0.883 108.0 52.2 -60.9 -44.1 10.7 16.4 30.7 16 20 A A H X S+ 0 0 57 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.932 111.7 44.7 -60.1 -46.0 14.1 17.8 29.8 17 21 A L H X S+ 0 0 14 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.853 110.0 55.2 -74.6 -26.3 14.2 16.3 26.4 18 22 A Q H X S+ 0 0 1 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.889 107.6 51.5 -67.3 -42.2 10.6 17.4 25.6 19 23 A L H X S+ 0 0 36 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 111.2 44.6 -58.7 -51.8 11.6 20.9 26.4 20 24 A E H X S+ 0 0 130 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.916 116.5 47.7 -63.8 -36.8 14.6 21.0 24.1 21 25 A R H X S+ 0 0 73 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.893 110.8 50.8 -71.6 -37.2 12.6 19.3 21.4 22 26 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.933 107.7 52.7 -68.3 -38.9 9.7 21.7 21.8 23 27 A K H X S+ 0 0 91 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.932 113.3 45.1 -60.4 -45.9 11.9 24.7 21.6 24 28 A W H X S+ 0 0 114 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.880 112.2 51.3 -57.6 -47.0 13.3 23.3 18.3 25 29 A S H X S+ 0 0 0 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.933 110.6 47.9 -63.4 -44.1 9.9 22.4 17.0 26 30 A L H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.864 114.8 46.0 -62.5 -39.2 8.5 25.9 17.6 27 31 A R H X S+ 0 0 141 -4,-1.6 4,-2.8 -5,-0.3 5,-0.2 0.906 112.4 49.9 -71.8 -44.0 11.5 27.6 16.0 28 32 A H H X S+ 0 0 21 -4,-2.8 4,-2.0 2,-0.2 5,-0.4 0.952 114.2 45.8 -57.8 -45.5 11.4 25.2 13.0 29 33 A A H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 8,-0.4 0.947 115.7 45.4 -65.1 -44.7 7.7 25.9 12.5 30 34 A Y H < S+ 0 0 26 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.902 118.9 41.4 -67.9 -39.1 8.0 29.7 12.9 31 35 A D H < S+ 0 0 53 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.762 129.0 23.8 -75.7 -31.7 11.1 29.9 10.6 32 36 A H H < S+ 0 0 106 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.573 101.9 78.0-121.0 -19.8 10.1 27.6 7.9 33 37 A S X - 0 0 0 -4,-2.3 4,-2.6 -5,-0.4 5,-0.2 -0.898 59.3-155.4-100.9 113.2 6.3 27.2 7.7 34 38 A P H > S+ 0 0 67 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.844 96.3 53.7 -48.6 -36.0 4.5 30.2 6.1 35 39 A V H > S+ 0 0 6 39,-0.5 4,-2.8 2,-0.2 5,-0.1 0.916 110.0 42.3 -72.1 -46.4 1.4 29.3 8.1 36 40 A Y H > S+ 0 0 1 -7,-0.3 4,-2.7 2,-0.2 5,-0.4 0.823 109.7 58.8 -72.5 -30.5 3.0 29.3 11.6 37 41 A R H X S+ 0 0 98 -4,-2.6 4,-2.2 -8,-0.4 5,-0.2 0.987 113.1 40.6 -54.7 -49.3 5.0 32.5 10.7 38 42 A R H X S+ 0 0 136 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.927 116.9 48.2 -66.7 -46.0 1.6 34.1 10.1 39 43 A K H X S+ 0 0 38 -4,-2.8 4,-1.4 2,-0.2 -1,-0.2 0.891 113.9 44.1 -64.4 -47.8 -0.1 32.4 13.1 40 44 A F H X>S+ 0 0 0 -4,-2.7 5,-2.3 2,-0.2 4,-0.6 0.945 114.9 49.7 -65.3 -43.3 2.5 33.2 15.7 41 45 A D H ><5S+ 0 0 81 -4,-2.2 3,-1.0 -5,-0.4 -2,-0.2 0.902 111.4 48.5 -60.0 -42.3 2.9 36.8 14.5 42 46 A E H 3<5S+ 0 0 157 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.740 112.5 49.1 -81.0 -13.3 -0.8 37.4 14.5 43 47 A A H 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.491 113.3-119.9 -92.5 -6.8 -1.0 35.9 18.0 44 48 A G T <<5 + 0 0 60 -3,-1.0 2,-0.3 -4,-0.6 -3,-0.2 0.828 69.4 124.2 68.6 38.5 1.9 38.1 19.2 45 49 A V < - 0 0 16 -5,-2.3 -1,-0.2 -6,-0.1 -2,-0.2 -0.921 41.8-161.0-130.8 152.2 4.3 35.3 20.2 46 50 A H > - 0 0 96 -2,-0.3 3,-2.4 1,-0.1 4,-0.3 -0.939 35.0-113.8-122.9 156.3 7.8 34.1 19.3 47 51 A P G > S+ 0 0 14 0, 0.0 3,-2.1 0, 0.0 -20,-0.1 0.850 115.2 66.4 -52.1 -36.8 9.5 30.7 19.8 48 52 A D G 3 S+ 0 0 121 1,-0.3 -25,-0.0 -22,-0.1 -21,-0.0 0.671 83.7 74.8 -60.2 -21.3 11.8 32.4 22.3 49 53 A D G < S+ 0 0 68 -3,-2.4 2,-1.0 1,-0.1 -1,-0.3 0.614 74.7 90.5 -71.5 -15.1 8.8 32.9 24.6 50 54 A L < + 0 0 4 -3,-2.1 3,-0.1 -4,-0.3 -1,-0.1 -0.761 39.0 147.0 -84.8 106.5 8.9 29.2 25.4 51 55 A K S S+ 0 0 151 -2,-1.0 2,-0.3 1,-0.3 -1,-0.2 0.755 70.6 14.9-104.9 -40.8 11.1 28.9 28.5 52 56 A T S > S- 0 0 77 -3,-0.2 3,-1.2 1,-0.1 -1,-0.3 -0.850 86.1-101.0-124.1 174.0 9.3 25.9 30.2 53 57 A L G > S+ 0 0 23 -2,-0.3 3,-2.1 1,-0.3 4,-0.2 0.875 118.4 66.2 -62.4 -29.1 6.8 23.4 29.0 54 58 A A G > S+ 0 0 76 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.784 86.9 68.6 -66.9 -24.3 4.1 25.4 30.8 55 59 A D G X S+ 0 0 20 -3,-1.2 3,-1.7 1,-0.3 -1,-0.3 0.506 74.1 88.8 -70.4 -10.4 4.6 28.3 28.3 56 60 A L G X S+ 0 0 1 -3,-2.1 3,-2.4 1,-0.3 -1,-0.3 0.885 75.4 67.0 -55.9 -35.6 3.1 26.1 25.6 57 61 A S G < S+ 0 0 67 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.680 87.7 70.5 -61.0 -12.3 -0.3 27.4 26.5 58 62 A R G < S+ 0 0 158 -3,-1.7 -1,-0.3 -4,-0.1 -2,-0.2 0.722 85.4 84.9 -73.9 -21.6 0.9 30.8 25.3 59 63 A F S < S- 0 0 4 -3,-2.4 -19,-0.1 -4,-0.3 -13,-0.0 -0.481 84.4-104.0 -93.2 150.8 0.9 29.6 21.6 60 64 A P - 0 0 27 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.169 36.8-108.8 -66.1 163.6 -2.1 29.6 19.2 61 65 A F - 0 0 42 -22,-0.1 2,-0.4 235,-0.0 235,-0.2 -0.593 19.6-142.4 -87.5 155.5 -4.0 26.5 18.3 62 66 A T B -a 296 0A 0 233,-2.7 235,-2.8 232,-0.3 2,-0.3 -0.919 22.0-178.2-111.2 144.9 -4.0 24.7 15.0 63 67 A T >> - 0 0 47 -2,-0.4 3,-1.1 233,-0.2 4,-1.0 -0.868 45.9 -96.4-131.6 174.7 -7.1 23.1 13.5 64 68 A K H >> S+ 0 0 43 233,-0.3 4,-2.7 -2,-0.3 3,-0.5 0.891 120.7 66.6 -61.2 -31.7 -8.1 21.1 10.4 65 69 A G H 3> S+ 0 0 26 1,-0.3 4,-2.8 2,-0.2 -1,-0.3 0.856 94.0 57.8 -54.6 -40.4 -9.2 24.4 8.9 66 70 A D H <> S+ 0 0 33 -3,-1.1 4,-0.5 1,-0.2 -1,-0.3 0.903 109.7 43.2 -61.2 -42.7 -5.6 25.5 8.9 67 71 A L H X< S+ 0 0 5 -4,-1.0 3,-0.9 -3,-0.5 4,-0.4 0.909 112.7 53.0 -66.8 -43.5 -4.6 22.5 6.7 68 72 A R H >< S+ 0 0 97 -4,-2.7 3,-1.3 1,-0.3 -2,-0.2 0.930 107.5 51.2 -58.5 -44.0 -7.7 23.0 4.5 69 73 A D H 3< S+ 0 0 140 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.627 112.0 47.9 -68.5 -17.8 -6.8 26.6 3.8 70 74 A S T 4 S+ 0 0 58 -2,-0.1 3,-1.5 1,-0.1 -2,-0.2 0.204 89.5 115.1-121.7 14.2 1.4 22.1 0.2 74 78 A G T 3< S+ 0 0 34 -4,-3.1 -39,-0.5 1,-0.3 -3,-0.1 0.605 77.9 50.3 -71.6 -14.7 1.1 25.5 1.9 75 79 A M T 3 S+ 0 0 5 -5,-0.3 -1,-0.3 -3,-0.1 -39,-0.1 0.475 78.4 121.4-101.6 -5.5 2.0 24.3 5.4 76 80 A F < - 0 0 22 -3,-1.5 215,-0.2 1,-0.1 -41,-0.1 -0.296 46.6-159.9 -64.4 145.0 5.1 22.3 4.5 77 81 A A S S+ 0 0 5 213,-2.9 214,-0.1 212,-0.2 -1,-0.1 0.102 70.3 54.0-117.0 13.5 8.2 23.5 6.4 78 82 A V S S- 0 0 17 212,-0.3 5,-0.1 -46,-0.0 -2,-0.0 -0.959 98.3 -81.7-138.3 161.5 10.9 22.0 4.1 79 83 A P > - 0 0 79 0, 0.0 3,-3.2 0, 0.0 4,-0.3 -0.331 43.8-111.1 -66.1 143.7 11.5 22.3 0.3 80 84 A Q G > S+ 0 0 75 1,-0.3 3,-2.3 2,-0.2 470,-0.1 0.827 115.8 64.4 -43.5 -37.3 9.3 20.1 -1.9 81 85 A D G 3 S+ 0 0 56 1,-0.3 -1,-0.3 468,-0.1 469,-0.3 0.692 98.0 55.6 -70.3 -7.7 12.4 18.0 -2.9 82 86 A R G < S+ 0 0 110 -3,-3.2 2,-0.7 468,-0.1 20,-0.3 0.379 80.5 104.9 -99.7 2.2 12.8 16.9 0.8 83 87 A I < + 0 0 2 -3,-2.3 18,-0.3 -4,-0.3 3,-0.1 -0.768 41.8 175.3 -84.8 114.1 9.2 15.5 0.9 84 88 A S + 0 0 12 16,-3.2 495,-2.4 -2,-0.7 2,-0.4 0.753 64.7 24.1 -86.6 -27.6 9.6 11.7 0.8 85 89 A R E -Fg 100 579B 1 15,-1.8 15,-2.0 493,-0.2 2,-0.4 -0.997 56.0-161.9-147.7 135.8 5.9 11.0 1.3 86 90 A I E +F 99 0B 2 493,-2.2 2,-0.3 -2,-0.4 13,-0.2 -0.982 13.3 179.6-112.4 130.7 2.5 12.5 0.8 87 91 A H E +F 98 0B 0 11,-2.1 11,-2.8 -2,-0.4 2,-0.3 -0.870 6.4 178.7-119.6 162.7 -0.6 11.2 2.6 88 92 A A E -F 97 0B 4 47,-1.6 9,-0.2 -2,-0.3 2,-0.1 -0.988 30.2-101.4-158.8 151.8 -4.1 12.6 2.3 89 93 A S - 0 0 22 7,-1.7 47,-0.1 -2,-0.3 46,-0.0 -0.373 15.3-150.8 -70.6 155.2 -7.7 12.0 3.5 90 94 A S 0 0 94 1,-0.3 -1,-0.1 -2,-0.1 46,-0.0 0.833 360.0 360.0 -92.6 -49.5 -10.2 10.4 1.2 91 95 A G 0 0 77 -3,-0.1 -1,-0.3 3,-0.0 5,-0.2 -0.850 360.0 360.0 -81.7 360.0 -13.1 12.3 2.7 92 ! 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 93 98 A G 0 0 114 0, 0.0 3,-0.1 0, 0.0 -25,-0.0 0.000 360.0 360.0 360.0-141.9 -14.4 20.0 1.5 94 99 A K - 0 0 106 1,-0.1 -4,-0.1 -3,-0.1 -3,-0.0 -0.536 360.0 -85.1 -85.1 161.9 -11.1 19.1 -0.2 95 100 A P - 0 0 21 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.289 40.2-118.3 -64.9 147.3 -8.8 16.4 1.2 96 101 A T - 0 0 1 -5,-0.2 -7,-1.7 -3,-0.1 2,-0.5 -0.800 30.7-147.5 -88.1 131.0 -6.4 17.3 3.9 97 102 A V E -F 88 0B 9 -2,-0.4 2,-0.3 -9,-0.2 -9,-0.2 -0.884 16.6-177.1-107.7 129.4 -2.8 16.8 2.8 98 103 A V E -F 87 0B 0 -11,-2.8 -11,-2.1 -2,-0.5 2,-0.3 -0.861 6.3-161.2-121.9 158.5 0.1 15.8 5.0 99 104 A G E -F 86 0B 0 -2,-0.3 2,-0.3 -13,-0.2 192,-0.3 -0.960 3.9-162.8-140.6 160.8 3.8 15.3 4.2 100 105 A Y E -F 85 0B 2 -15,-2.0 -16,-3.2 -2,-0.3 -15,-1.8 -1.000 13.3-140.8-145.3 139.5 7.0 13.6 5.5 101 106 A T > - 0 0 2 -2,-0.3 4,-2.1 -18,-0.3 5,-0.2 -0.378 45.3 -97.4 -80.0 177.3 10.7 13.7 5.1 102 107 A A H > S+ 0 0 68 -20,-0.3 4,-2.5 1,-0.2 5,-0.2 0.905 128.9 52.3 -63.8 -40.4 12.7 10.5 5.2 103 108 A A H > S+ 0 0 43 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.919 107.4 51.6 -63.3 -38.7 13.5 11.1 8.8 104 109 A D H > S+ 0 0 8 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.889 110.7 48.6 -61.3 -44.8 9.8 11.6 9.5 105 110 A I H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.892 110.4 51.6 -60.9 -44.3 9.0 8.3 7.9 106 111 A D H X S+ 0 0 70 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.890 111.1 46.8 -55.9 -48.5 11.8 6.6 9.9 107 112 A T H X S+ 0 0 30 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.912 111.0 52.4 -64.8 -42.2 10.4 8.0 13.2 108 113 A W H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 5,-0.3 0.934 109.4 48.9 -57.7 -49.5 6.9 6.9 12.2 109 114 A A H X S+ 0 0 1 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.884 112.0 50.1 -56.3 -42.6 8.2 3.4 11.4 110 115 A N H X S+ 0 0 60 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.876 110.3 49.6 -64.2 -36.0 9.9 3.3 14.8 111 116 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.901 112.3 45.8 -74.0 -36.3 6.8 4.5 16.7 112 117 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.946 112.1 52.5 -72.7 -38.1 4.6 1.9 15.1 113 118 A A H X S+ 0 0 2 -4,-2.4 4,-2.6 -5,-0.3 -2,-0.2 0.940 109.4 50.1 -55.3 -44.1 7.3 -0.7 15.8 114 119 A R H X S+ 0 0 2 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.915 110.7 49.3 -62.3 -41.8 7.2 0.5 19.4 115 120 A S H X S+ 0 0 0 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.887 109.5 51.6 -64.0 -41.2 3.4 0.2 19.5 116 121 A I H <>S+ 0 0 0 -4,-2.8 5,-1.5 2,-0.2 3,-0.4 0.941 110.5 48.2 -66.1 -39.7 3.6 -3.4 18.0 117 122 A R H ><5S+ 0 0 44 -4,-2.6 3,-2.6 1,-0.2 -2,-0.2 0.946 107.9 55.4 -60.6 -44.6 6.1 -4.4 20.7 118 123 A A H 3<5S+ 0 0 1 -4,-2.5 129,-2.9 1,-0.3 130,-0.4 0.790 100.3 61.4 -62.4 -23.6 3.8 -2.9 23.4 119 124 A A T 3<5S- 0 0 0 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.542 127.7 -97.8 -79.7 -6.7 1.1 -5.1 22.0 120 125 A G T < 5 + 0 0 27 -3,-2.6 -3,-0.2 -4,-0.3 -2,-0.2 0.628 61.0 170.9 101.4 15.8 3.1 -8.2 22.9 121 126 A A < - 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