==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 19-MAR-10 3AG5 . COMPND 2 MOLECULE: PANTOTHENATE SYNTHETASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR A.SATOH,S.KONISHI,H.TAMURA,H.G.STICKLAND,H.M.WHITNEY,A.G.SMI . 557 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26914.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 384 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 48 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 51 9.2 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 39 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.8 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 2 0 0 0 2 0 0 2 4 0 2 2 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 0 2 2 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 0 0 0 1 0 1 1 2 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 2 0 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 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 0 185 0, 0.0 2,-0.3 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 13.3 -62.0 42.2 -8.4 2 2 A T - 0 0 15 74,-0.1 2,-0.3 84,-0.0 84,-0.2 -0.703 360.0-130.2 -89.6 138.3 -58.4 41.0 -7.8 3 3 A K E -a 86 0A 151 82,-2.4 84,-2.4 -2,-0.3 2,-0.6 -0.673 9.1-142.2 -92.1 145.1 -55.7 42.1 -10.3 4 4 A L E -a 87 0A 70 -2,-0.3 2,-0.6 82,-0.2 84,-0.2 -0.925 13.8-167.6-109.0 118.0 -53.3 39.7 -11.9 5 5 A I E -a 88 0A 9 82,-2.3 84,-3.0 -2,-0.6 81,-0.0 -0.930 7.0-178.8-108.0 122.3 -49.7 41.0 -12.4 6 6 A T + 0 0 71 -2,-0.6 85,-0.7 82,-0.2 2,-0.4 0.354 55.2 63.1-104.2 4.4 -47.5 38.9 -14.7 7 7 A T > - 0 0 52 83,-0.2 4,-2.0 1,-0.2 5,-0.2 -0.982 65.7-137.8-135.0 147.4 -44.1 40.7 -14.7 8 8 A V H > S+ 0 0 8 -2,-0.4 4,-3.0 2,-0.2 5,-0.3 0.963 104.9 53.9 -59.4 -56.8 -41.5 41.6 -12.1 9 9 A K H > S+ 0 0 176 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.903 112.7 43.3 -46.6 -51.4 -40.9 45.1 -13.4 10 10 A E H > S+ 0 0 94 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.869 112.7 51.4 -66.5 -38.1 -44.6 46.0 -13.1 11 11 A M H X S+ 0 0 0 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.956 112.1 47.7 -64.2 -47.9 -45.1 44.3 -9.7 12 12 A Q H X S+ 0 0 33 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.927 111.6 49.7 -57.2 -50.1 -42.1 46.3 -8.3 13 13 A H H X S+ 0 0 128 -4,-2.3 4,-2.2 -5,-0.3 -1,-0.2 0.926 111.0 49.3 -55.4 -48.2 -43.2 49.6 -9.8 14 14 A I H X S+ 0 0 54 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.924 115.0 42.6 -59.8 -48.0 -46.7 49.2 -8.3 15 15 A V H X S+ 0 0 1 -4,-2.2 4,-2.5 120,-0.2 5,-0.2 0.890 111.1 55.4 -66.6 -41.3 -45.6 48.3 -4.8 16 16 A K H X S+ 0 0 53 -4,-2.8 4,-1.5 -5,-0.3 -1,-0.2 0.910 110.4 46.7 -59.3 -41.4 -42.9 51.0 -4.8 17 17 A A H X S+ 0 0 54 -4,-2.2 4,-0.8 -5,-0.2 -1,-0.2 0.837 112.6 49.0 -69.6 -35.2 -45.5 53.6 -5.7 18 18 A A H <>S+ 0 0 19 -4,-1.6 5,-1.7 2,-0.2 3,-0.2 0.845 107.5 54.3 -74.7 -34.1 -47.9 52.3 -3.0 19 19 A K H ><5S+ 0 0 34 -4,-2.5 3,-1.9 1,-0.2 -2,-0.2 0.902 103.1 57.9 -64.2 -41.8 -45.2 52.3 -0.3 20 20 A R H 3<5S+ 0 0 110 -4,-1.5 282,-0.3 1,-0.3 -1,-0.2 0.821 104.7 51.2 -58.2 -32.7 -44.5 55.9 -1.0 21 21 A S T 3<5S- 0 0 84 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.271 119.4-108.1 -91.7 13.6 -48.1 56.9 -0.3 22 22 A G T < 5 + 0 0 17 -3,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.498 65.2 148.5 79.1 4.2 -48.1 55.1 3.1 23 23 A T < - 0 0 36 -5,-1.7 -1,-0.2 1,-0.1 2,-0.2 -0.554 45.5-126.1 -76.0 135.5 -50.3 52.1 2.3 24 24 A T - 0 0 30 -2,-0.3 27,-2.4 24,-0.0 2,-0.4 -0.574 21.4-144.6 -80.3 143.5 -49.4 48.9 4.3 25 25 A I E -b 51 0A 0 -2,-0.2 114,-2.3 25,-0.2 115,-2.0 -0.924 11.2-166.2-116.7 131.5 -48.7 45.7 2.3 26 26 A G E -bc 52 140A 0 25,-2.4 27,-3.6 -2,-0.4 2,-0.4 -0.934 13.3-161.9-111.4 135.7 -49.5 42.2 3.3 27 27 A F E -bc 53 141A 0 113,-2.6 115,-2.6 -2,-0.4 27,-0.2 -0.964 16.4-174.4-128.5 131.9 -47.8 39.3 1.4 28 28 A I E -b 54 0A 0 25,-2.5 27,-2.2 -2,-0.4 2,-0.5 -0.932 15.6-155.5-121.1 105.7 -48.6 35.6 1.1 29 29 A P E +b 55 0A 26 0, 0.0 2,-0.3 0, 0.0 27,-0.1 -0.692 29.2 153.9 -81.5 124.5 -46.0 33.6 -0.9 30 30 A T E -b 56 0A 13 25,-1.5 27,-2.0 -2,-0.5 3,-0.1 -0.879 49.4-132.0-142.8 176.1 -47.5 30.4 -2.4 31 31 A M - 0 0 34 1,-0.5 25,-0.2 -2,-0.3 2,-0.1 0.124 58.4-108.2-117.7 18.9 -47.0 28.0 -5.3 32 32 A G S S+ 0 0 5 23,-0.3 -1,-0.5 25,-0.1 3,-0.1 -0.285 87.0 99.4 85.1-173.6 -50.6 27.9 -6.4 33 33 A A S S- 0 0 35 1,-0.1 2,-0.2 38,-0.1 -2,-0.1 0.992 70.1-159.6 51.3 67.1 -53.2 25.1 -6.0 34 34 A L + 0 0 14 -4,-0.1 2,-0.2 3,-0.1 -1,-0.1 -0.542 21.6 176.8 -88.5 146.3 -54.6 26.9 -3.1 35 35 A H >> - 0 0 104 -2,-0.2 4,-1.7 -3,-0.1 3,-0.7 -0.670 52.1 -76.9-130.1-175.2 -56.8 25.6 -0.2 36 36 A D H 3> S+ 0 0 104 1,-0.2 4,-1.4 -2,-0.2 5,-0.2 0.762 121.5 69.8 -60.2 -27.3 -58.3 27.0 3.0 37 37 A G H 3> S+ 0 0 16 2,-0.2 4,-0.9 1,-0.2 3,-0.5 0.964 106.4 40.3 -53.8 -49.8 -54.9 26.8 4.7 38 38 A H H X> S+ 0 0 33 -3,-0.7 4,-2.4 1,-0.2 3,-1.4 0.951 109.8 55.9 -62.1 -55.8 -53.8 29.7 2.4 39 39 A L H 3X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.3 -1,-0.2 0.707 100.6 62.4 -54.1 -18.6 -57.0 31.7 2.5 40 40 A T H 3X S+ 0 0 45 -4,-1.4 4,-1.8 -3,-0.5 -1,-0.3 0.904 107.4 42.6 -72.6 -39.0 -56.6 31.7 6.3 41 41 A M H - 0 0 1 -2,-1.0 3,-2.0 1,-0.1 69,-0.0 -0.670 11.5-159.4 -82.7 104.3 -40.1 27.8 -8.1 60 60 A P G > S+ 0 0 56 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.763 84.8 72.5 -54.4 -24.7 -37.8 25.6 -10.1 61 61 A L G 3 S+ 0 0 73 1,-0.3 63,-0.3 63,-0.2 64,-0.2 0.503 91.7 55.4 -72.4 -3.0 -35.1 25.9 -7.4 62 62 A Q G < S+ 0 0 35 -3,-2.0 2,-0.3 62,-0.2 -1,-0.3 -0.406 92.3 86.6-125.0 54.5 -36.9 23.7 -4.9 63 63 A F < 0 0 89 -3,-0.6 0, 0.0 3,-0.0 0, 0.0 -0.941 360.0 360.0-152.8 126.4 -37.3 20.7 -7.1 64 64 A G 0 0 129 -2,-0.3 -2,-0.1 0, 0.0 -3,-0.0 -0.242 360.0 360.0-108.7 360.0 -34.9 17.8 -7.7 65 ! 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 66 70 A D 0 0 156 0, 0.0 -8,-0.0 0, 0.0 -3,-0.0 0.000 360.0 360.0 360.0-127.4 -42.1 20.5 -13.5 67 71 A A + 0 0 93 2,-0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 147.5 -96.5 24.6 -45.4 18.8 -14.1 68 72 A Y - 0 0 82 1,-0.1 -10,-0.1 -10,-0.0 0, 0.0 -0.302 59.6 -88.2 -63.1 142.2 -46.7 20.6 -11.0 69 73 A P - 0 0 78 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.266 43.1-167.9 -56.4 132.9 -50.4 21.6 -11.0 70 74 A R + 0 0 144 -3,-0.1 -38,-0.1 -38,-0.1 2,-0.1 -0.918 25.0 148.0-131.6 106.8 -51.1 25.0 -12.5 71 75 A Q > + 0 0 60 -2,-0.5 4,-2.0 1,-0.1 3,-0.4 -0.494 6.1 156.6-136.2 65.9 -54.5 26.6 -12.1 72 76 A I H > S+ 0 0 40 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.886 74.6 54.5 -59.7 -44.5 -54.1 30.4 -12.0 73 77 A D H > S+ 0 0 110 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.834 113.2 45.0 -59.5 -32.4 -57.6 31.3 -13.0 74 78 A K H > S+ 0 0 113 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.831 113.9 47.4 -82.4 -33.2 -58.9 29.2 -10.2 75 79 A D H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.830 108.7 57.3 -74.3 -33.1 -56.4 30.5 -7.6 76 80 A L H X S+ 0 0 34 -4,-3.0 4,-1.2 -5,-0.2 -2,-0.2 0.952 111.7 40.7 -60.6 -50.9 -57.2 34.0 -8.8 77 81 A E H X S+ 0 0 144 -4,-1.4 4,-1.8 1,-0.2 -2,-0.2 0.865 110.0 59.0 -66.9 -38.6 -60.9 33.5 -8.0 78 82 A L H < S+ 0 0 46 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.891 112.5 38.9 -58.3 -41.2 -60.3 31.6 -4.7 79 83 A V H ><>S+ 0 0 0 -4,-1.8 5,-2.1 1,-0.2 3,-0.6 0.694 107.6 63.9 -85.1 -19.0 -58.4 34.6 -3.3 80 84 A S H ><5S+ 0 0 23 -4,-1.2 3,-2.3 1,-0.2 -2,-0.2 0.923 94.1 60.9 -67.8 -45.3 -60.8 37.2 -4.7 81 85 A E T 3<5S+ 0 0 145 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.674 107.4 47.8 -54.7 -18.3 -63.6 35.9 -2.6 82 86 A V T < 5S- 0 0 20 -3,-0.6 -1,-0.3 -4,-0.2 -2,-0.2 0.437 123.7-102.2-103.8 -2.9 -61.5 36.8 0.4 83 87 A G T < 5 + 0 0 22 -3,-2.3 -31,-0.2 -4,-0.2 -3,-0.2 0.679 56.6 166.9 93.4 18.8 -60.6 40.3 -0.7 84 88 A A < - 0 0 0 -5,-2.1 -1,-0.2 1,-0.1 -31,-0.1 -0.350 25.2-153.3 -64.6 146.5 -57.0 39.9 -2.0 85 89 A D + 0 0 59 -33,-2.0 -82,-2.4 1,-0.3 2,-0.3 0.884 68.2 8.6 -89.6 -41.9 -55.8 42.9 -4.1 86 90 A I E -ad 3 53A 13 -34,-1.6 -32,-2.9 -84,-0.2 2,-0.5 -0.992 50.3-153.1-143.9 148.0 -53.2 41.3 -6.3 87 91 A V E -ad 4 54A 0 -84,-2.4 -82,-2.3 -2,-0.3 2,-0.7 -0.989 20.6-148.9-119.8 118.1 -51.9 38.0 -7.4 88 92 A F E +ad 5 55A 0 -34,-2.4 -32,-2.5 -2,-0.5 -82,-0.2 -0.829 21.9 173.3 -91.8 118.6 -48.3 38.2 -8.5 89 93 A H - 0 0 62 -84,-3.0 2,-0.1 -2,-0.7 -32,-0.1 -0.643 7.3-179.2-131.3 74.4 -47.7 35.5 -11.2 90 94 A P - 0 0 6 0, 0.0 -83,-0.2 0, 0.0 2,-0.1 -0.433 27.5-116.5 -77.6 145.7 -44.2 35.8 -12.8 91 95 A A >> - 0 0 50 -85,-0.7 4,-2.1 -2,-0.1 3,-1.1 -0.413 29.1-113.5 -74.9 154.8 -42.8 33.6 -15.6 92 96 A V H 3> S+ 0 0 57 1,-0.3 4,-3.0 2,-0.2 -1,-0.1 0.902 117.1 49.9 -58.2 -43.1 -39.7 31.5 -14.7 93 97 A E H 34 S+ 0 0 143 2,-0.2 -1,-0.3 1,-0.2 -2,-0.0 0.610 107.8 55.6 -72.8 -10.6 -37.4 33.5 -17.1 94 98 A D H <4 S+ 0 0 52 -3,-1.1 -2,-0.2 2,-0.1 -1,-0.2 0.912 114.4 37.9 -83.9 -48.0 -38.7 36.7 -15.6 95 99 A M H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.1 0.902 130.8 31.0 -67.3 -42.2 -37.7 35.7 -12.0 96 100 A Y S < S- 0 0 23 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.1 -0.599 71.5-179.2-120.4 72.3 -34.5 33.9 -13.2 97 101 A P - 0 0 76 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.803 67.2 -46.7 -35.1 -53.3 -33.2 35.8 -16.3 98 102 A G S S- 0 0 46 1,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.157 105.4 -7.2-148.6-111.7 -30.3 33.6 -16.8 99 103 A E - 0 0 179 -2,-0.1 342,-0.1 2,-0.0 2,-0.0 -0.900 67.3-117.2-107.5 126.7 -27.6 32.2 -14.5 100 104 A L - 0 0 47 -2,-0.5 338,-0.1 1,-0.2 3,-0.0 -0.364 21.4-167.4 -59.2 133.8 -27.5 33.4 -10.8 101 105 A G S S+ 0 0 9 336,-0.3 287,-3.1 287,-0.1 2,-0.3 0.506 75.4 49.1 -99.7 -9.4 -24.1 35.1 -10.2 102 106 A I E S-F 387 0B 3 285,-0.3 2,-0.4 335,-0.2 285,-0.2 -0.915 75.7-149.4-125.4 151.8 -24.6 35.1 -6.5 103 107 A D E -F 386 0B 78 283,-2.7 283,-2.1 -2,-0.3 2,-0.5 -0.988 2.6-157.0-132.6 131.4 -25.6 32.1 -4.4 104 108 A V E +F 385 0B 9 -2,-0.4 2,-0.4 281,-0.2 281,-0.2 -0.893 17.2 179.9-106.5 129.4 -27.6 32.0 -1.1 105 109 A K E -F 384 0B 126 279,-2.5 279,-2.9 -2,-0.5 2,-0.4 -0.975 25.5-130.0-132.5 145.0 -27.3 29.0 1.2 106 110 A V E -F 383 0B 15 -2,-0.4 277,-0.2 277,-0.2 14,-0.1 -0.731 25.0-159.2 -89.6 136.4 -28.8 28.0 4.5 107 111 A G > - 0 0 13 275,-2.9 3,-2.5 -2,-0.4 4,-0.2 0.391 62.2 -18.2 -85.7-132.9 -26.3 26.9 7.1 108 112 A P G >> S+ 0 0 104 0, 0.0 3,-3.3 0, 0.0 4,-1.5 0.790 125.0 68.7 -41.5 -47.4 -27.0 24.7 10.2 109 113 A L G 34 S+ 0 0 14 1,-0.3 6,-0.1 273,-0.2 44,-0.1 0.666 97.4 56.0 -53.8 -15.0 -30.8 25.3 10.2 110 114 A A G <4 S+ 0 0 14 -3,-2.5 -1,-0.3 1,-0.1 8,-0.2 0.519 104.3 52.8 -94.3 -7.2 -30.8 23.2 7.0 111 115 A D T <4>S+ 0 0 109 -3,-3.3 5,-1.1 4,-0.2 -2,-0.2 0.875 85.7 92.5 -92.0 -47.3 -29.1 20.2 8.7 112 116 A V T <5S- 0 0 28 -4,-1.5 2,-0.4 3,-0.1 4,-0.1 -0.115 106.1 -30.1 -50.4 142.0 -31.4 19.7 11.7 113 117 A L T 5S+ 0 0 65 1,-0.1 3,-0.1 2,-0.1 -3,-0.1 -0.279 136.6 16.0 53.3-104.6 -34.2 17.2 11.1 114 118 A E T > 5S+ 0 0 55 -2,-0.4 3,-1.8 1,-0.1 -1,-0.1 0.935 106.8 68.2 -59.6-105.1 -35.0 17.5 7.4 115 119 A G G > 5S+ 0 0 4 1,-0.3 3,-2.2 2,-0.2 -4,-0.2 0.250 92.9 60.8 16.4 -68.8 -32.3 19.2 5.3 116 120 A A G 3 S+ 0 0 35 -10,-0.1 4,-1.2 -14,-0.1 5,-0.1 0.521 87.5 117.5 85.9 5.2 -30.4 22.4 -0.8 121 125 A H H <> S+ 0 0 30 -3,-1.7 4,-1.2 1,-0.2 3,-0.4 0.939 82.6 41.9 -68.5 -45.7 -34.2 22.3 -0.6 122 126 A F H > S+ 0 0 3 -4,-0.3 4,-2.6 1,-0.2 5,-0.2 0.659 103.6 67.5 -75.6 -14.7 -34.3 25.3 1.7 123 127 A D H > S+ 0 0 29 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.896 103.6 46.1 -68.3 -38.5 -31.6 27.0 -0.4 124 128 A G H X S+ 0 0 4 -4,-1.2 4,-1.9 -3,-0.4 -2,-0.2 0.849 111.8 53.1 -70.2 -34.9 -34.2 27.3 -3.1 125 129 A V H X S+ 0 0 4 -4,-1.2 4,-2.5 2,-0.2 5,-0.2 0.963 111.5 41.8 -66.3 -54.0 -36.8 28.5 -0.6 126 130 A V H X S+ 0 0 0 -4,-2.6 4,-3.2 1,-0.2 5,-0.2 0.905 111.2 58.1 -62.4 -38.8 -34.7 31.4 0.8 127 131 A T H X S+ 0 0 18 -4,-1.9 4,-1.8 -5,-0.2 -1,-0.2 0.945 113.0 37.7 -55.0 -50.8 -33.5 32.4 -2.7 128 132 A V H X S+ 0 0 11 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.868 116.7 51.2 -71.9 -35.8 -37.1 32.9 -4.0 129 133 A V H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.930 108.7 52.8 -66.2 -42.2 -38.4 34.4 -0.8 130 134 A N H X S+ 0 0 1 -4,-3.2 4,-1.4 -5,-0.2 -2,-0.2 0.920 112.7 43.7 -58.8 -44.1 -35.5 36.8 -0.7 131 135 A K H X S+ 0 0 1 -4,-1.8 4,-1.5 -5,-0.2 -1,-0.2 0.916 111.8 53.9 -68.6 -41.9 -36.3 38.0 -4.2 132 136 A L H X S+ 0 0 7 -4,-2.6 4,-3.6 1,-0.2 5,-0.4 0.895 105.9 52.2 -59.9 -41.0 -40.0 38.1 -3.6 133 137 A F H X S+ 0 0 4 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.865 111.6 47.2 -64.6 -34.6 -39.5 40.4 -0.5 134 138 A N H < S+ 0 0 12 -4,-1.4 311,-0.3 308,-0.2 -1,-0.2 0.740 118.5 42.2 -78.1 -19.9 -37.5 42.8 -2.7 135 139 A I H < S+ 0 0 0 -4,-1.5 -120,-0.2 -3,-0.2 -2,-0.2 0.898 124.5 32.1 -88.2 -48.8 -40.1 42.6 -5.4 136 140 A V H < S- 0 0 0 -4,-3.6 -3,-0.2 -5,-0.2 -2,-0.2 0.629 86.7-153.8 -86.0 -17.4 -43.3 42.8 -3.3 137 141 A M < - 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