==== 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 UNKNOWN FUNCTION 26-MAY-09 3HL6 . COMPND 2 MOLECULE: PATHOGENICITY ISLAND PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR A.C.KRUSE,M.HUSEBY,K.SHI,J.DIGRE,P.M.SCHLIEVERT,D.H.OHLENDOR . 381 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20293.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 11.3 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 17 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 42.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 2 0 1 0 3 1 4 0 2 0 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 2 1 5 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A D 0 0 206 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 16.7 12.9 -18.8 20.9 2 3 A I - 0 0 73 42,-0.0 32,-0.2 30,-0.0 2,-0.1 -0.858 360.0-156.0-123.3 99.7 14.9 -15.6 20.6 3 4 A E E -a 34 0A 130 30,-1.2 32,-1.7 -2,-0.4 2,-0.5 -0.423 12.8-140.9 -61.4 142.3 16.7 -14.8 23.8 4 5 A T E -a 35 0A 63 30,-0.2 2,-0.3 -2,-0.1 32,-0.2 -0.953 15.6-166.2-113.7 126.1 17.4 -11.1 24.1 5 6 A I E -a 36 0A 39 30,-3.7 32,-2.5 -2,-0.5 2,-0.3 -0.856 17.3-125.4-114.3 151.2 20.7 -9.9 25.5 6 7 A V - 0 0 92 -2,-0.3 32,-0.1 30,-0.2 30,-0.0 -0.734 38.1 -90.0-101.8 135.6 21.5 -6.4 26.7 7 8 A N + 0 0 72 30,-0.4 -1,-0.1 -2,-0.3 5,-0.1 -0.182 41.7 178.6 -46.7 123.8 24.5 -4.4 25.4 8 9 A E + 0 0 70 3,-0.2 2,-0.3 4,-0.1 -1,-0.2 0.422 63.8 38.3-108.2 -3.2 27.5 -5.1 27.6 9 10 A F S S- 0 0 20 2,-0.2 6,-0.1 264,-0.0 261,-0.0 -0.884 93.7 -98.5-139.8 166.1 30.1 -3.0 25.8 10 11 A E S S+ 0 0 83 -2,-0.3 2,-0.3 2,-0.0 3,-0.1 0.695 110.2 44.3 -58.3 -15.7 30.2 0.4 24.1 11 12 A T S > S- 0 0 1 1,-0.1 4,-1.3 132,-0.0 -2,-0.2 -0.959 73.2-136.6-134.6 148.2 29.8 -1.6 20.8 12 13 A R H > S+ 0 0 4 128,-0.7 4,-3.2 -2,-0.3 5,-0.2 0.849 105.5 64.8 -69.8 -36.8 27.7 -4.5 19.6 13 14 A A H > S+ 0 0 0 127,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.933 104.0 50.5 -49.8 -45.0 30.8 -6.0 17.9 14 15 A G H > S+ 0 0 0 2,-0.2 4,-2.1 126,-0.2 -1,-0.2 0.914 111.3 43.3 -60.7 -47.8 32.1 -6.4 21.4 15 16 A T H X S+ 0 0 1 -4,-1.3 4,-2.0 1,-0.2 5,-0.3 0.949 111.5 56.2 -66.1 -46.7 29.1 -8.1 23.0 16 17 A L H X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.906 108.7 48.0 -47.2 -45.9 28.8 -10.3 19.9 17 18 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 5,-0.3 0.886 108.1 53.1 -70.9 -38.3 32.4 -11.5 20.5 18 19 A R H X S+ 0 0 42 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.841 116.3 40.3 -62.8 -30.3 31.9 -12.2 24.2 19 20 A Y H X S+ 0 0 47 -4,-2.0 4,-2.8 -3,-0.2 -2,-0.2 0.873 109.4 59.1 -87.4 -34.6 28.9 -14.3 23.4 20 21 A Y H < S+ 0 0 0 -4,-2.8 4,-0.3 -5,-0.3 -2,-0.2 0.949 113.1 37.1 -56.3 -52.3 30.3 -16.0 20.4 21 22 A T H < S+ 0 0 2 -4,-2.0 3,-0.4 1,-0.2 4,-0.3 0.764 115.7 56.9 -80.4 -21.5 33.3 -17.4 22.2 22 23 A G H < S+ 0 0 16 -4,-0.8 4,-0.2 -5,-0.3 3,-0.2 0.849 113.2 38.3 -68.5 -38.0 31.1 -18.0 25.3 23 24 A L S X S+ 0 0 42 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.271 82.1 105.1 -99.6 12.5 28.6 -20.2 23.4 24 25 A L H > S+ 0 0 8 -3,-0.4 4,-0.8 -4,-0.3 26,-0.3 0.950 82.8 49.8 -58.1 -48.8 31.1 -22.0 21.1 25 26 A E H >> S+ 0 0 150 -4,-0.3 4,-0.9 -3,-0.2 3,-0.5 0.888 114.2 41.3 -48.7 -55.1 30.7 -25.2 23.3 26 27 A R H 3> S+ 0 0 120 -4,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.836 103.3 68.5 -67.1 -32.6 26.8 -25.3 23.3 27 28 A S H 3< S+ 0 0 2 -4,-2.0 22,-1.7 1,-0.2 -1,-0.2 0.719 97.5 51.3 -68.6 -25.7 26.4 -24.3 19.6 28 29 A K H << S+ 0 0 114 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.916 116.7 38.9 -72.4 -46.5 27.9 -27.6 18.3 29 30 A V H < S+ 0 0 129 -4,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.458 135.3 9.9 -81.3 -2.3 25.5 -29.7 20.5 30 31 A Q S < S- 0 0 105 -4,-0.7 19,-0.3 -5,-0.1 -1,-0.2 -0.940 77.5-106.2-169.6 140.6 22.7 -27.2 19.7 31 32 A P - 0 0 64 0, 0.0 2,-0.3 0, 0.0 17,-0.2 -0.261 39.1-150.0 -60.3 171.7 21.7 -24.3 17.6 32 33 A C E - B 0 47A 5 15,-0.8 15,-2.2 -5,-0.1 2,-0.4 -0.983 13.1-171.5-162.6 127.4 21.7 -21.0 19.4 33 34 A C E + B 0 46A 45 -2,-0.3 -30,-1.2 13,-0.2 2,-0.3 -0.976 13.7 131.9-146.0 141.3 19.6 -17.9 18.9 34 35 A F E -aB 3 45A 8 11,-2.0 11,-2.8 -2,-0.4 2,-0.3 -0.990 29.4-133.8-176.6 178.9 19.4 -14.3 20.1 35 36 A K E -a 4 0A 54 -32,-1.7 -30,-3.7 -2,-0.3 2,-0.5 -0.973 23.9-121.5-149.7 142.4 19.0 -10.6 19.8 36 37 A L E > -a 5 0A 2 7,-0.5 3,-1.6 -2,-0.3 -30,-0.2 -0.865 39.5-109.1 -90.8 129.5 20.6 -7.5 21.2 37 38 A Y T 3 S+ 0 0 136 -32,-2.5 -30,-0.4 -2,-0.5 -1,-0.0 -0.411 99.6 0.0 -50.1 118.4 18.2 -5.1 23.0 38 39 A N T 3 S+ 0 0 123 1,-0.2 -1,-0.2 -2,-0.2 -32,-0.0 0.666 79.0 172.3 68.2 19.4 17.8 -2.0 20.8 39 40 A D X - 0 0 14 -3,-1.6 3,-1.2 1,-0.1 -1,-0.2 -0.465 30.7-143.0 -40.1 113.2 20.1 -3.0 18.0 40 41 A P T 3 S+ 0 0 49 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.587 99.5 49.5 -68.1 -6.2 19.5 -0.3 15.4 41 42 A F T 3 S- 0 0 3 2,-0.1 16,-0.3 112,-0.0 -2,-0.0 0.466 100.0-135.3-111.7 -6.3 19.8 -2.9 12.7 42 43 A D < + 0 0 77 -3,-1.2 15,-2.7 1,-0.2 2,-0.3 0.830 35.9 178.9 59.6 37.5 17.4 -5.4 14.2 43 44 A M E - C 0 56A 1 13,-0.3 -7,-0.5 -7,-0.1 2,-0.4 -0.536 24.2-148.4 -68.1 133.3 19.7 -8.4 13.5 44 45 A V E - C 0 55A 6 11,-3.1 11,-1.7 -2,-0.3 2,-0.4 -0.902 23.8-149.3 -88.7 137.3 18.6 -11.9 14.6 45 46 A Y E -BC 34 54A 0 -11,-2.8 -11,-2.0 -2,-0.4 2,-0.5 -0.889 14.2-169.5-119.5 133.0 21.7 -13.9 15.5 46 47 A V E -BC 33 53A 35 7,-2.7 7,-3.3 -2,-0.4 2,-0.6 -0.977 10.0-163.8-127.6 124.8 22.4 -17.6 15.2 47 48 A M E +BC 32 52A 0 -15,-2.2 -15,-0.8 -2,-0.5 2,-0.3 -0.942 27.5 157.4 -97.4 123.9 25.3 -19.7 16.6 48 49 A M E > - C 0 51A 83 3,-2.0 3,-0.8 -2,-0.6 -20,-0.2 -0.915 61.2 -5.7-151.0 114.9 25.4 -23.0 14.8 49 50 A N T 3 S- 0 0 95 -22,-1.7 -21,-0.2 -2,-0.3 3,-0.1 0.935 127.2 -52.4 69.3 44.3 28.3 -25.4 14.4 50 51 A S T 3 S+ 0 0 20 -26,-0.3 2,-0.3 1,-0.2 -1,-0.2 0.427 118.7 101.0 74.8 1.7 31.0 -23.2 16.0 51 52 A K E < -C 48 0A 69 -3,-0.8 -3,-2.0 20,-0.2 2,-0.5 -0.824 64.5-135.6-114.8 158.6 30.1 -20.3 13.7 52 53 A L E +CD 47 70A 0 18,-1.9 17,-3.2 -2,-0.3 18,-1.4 -0.957 25.5 178.5-113.0 123.3 28.1 -17.1 14.2 53 54 A F E -CD 46 68A 56 -7,-3.3 -7,-2.7 -2,-0.5 2,-0.3 -0.817 4.3-168.6-116.4 161.2 25.6 -16.0 11.5 54 55 A S E -CD 45 67A 0 13,-2.3 13,-2.1 -2,-0.3 2,-0.3 -0.945 11.7-179.4-140.1 164.1 23.2 -13.1 11.3 55 56 A H E -C 44 0A 17 -11,-1.7 -11,-3.1 -2,-0.3 2,-0.2 -0.913 34.0-109.9-158.2 147.1 20.3 -11.6 9.3 56 57 A V E -C 43 0A 5 -2,-0.3 2,-0.4 -13,-0.3 -13,-0.3 -0.540 47.1-100.5 -69.0 136.4 18.2 -8.4 9.6 57 58 A Y + 0 0 110 -15,-2.7 -1,-0.1 -16,-0.3 -14,-0.0 -0.460 64.7 138.1 -62.2 115.7 14.7 -9.1 10.8 58 59 A I + 0 0 13 -2,-0.4 -1,-0.1 3,-0.2 4,-0.1 0.512 15.1 163.6-112.2 -82.5 12.3 -9.0 7.8 59 60 A K + 0 0 68 2,-1.0 3,-0.1 1,-0.2 -2,-0.1 0.318 62.1 80.9 85.0 -4.4 9.8 -11.9 8.4 60 61 A D S S+ 0 0 132 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.699 104.0 57.8 -71.7 -37.0 7.0 -11.1 6.0 61 62 A C S S- 0 0 17 2,-0.0 -2,-1.0 1,-0.0 2,-0.5 -0.704 93.0-136.8 -92.1 136.7 9.9 -12.7 4.2 62 63 A K - 0 0 191 -2,-0.3 2,-0.9 -4,-0.1 3,-0.1 -0.861 26.4-123.1 -99.9 132.8 11.1 -16.2 5.2 63 64 A V + 0 0 38 -2,-0.5 3,-0.1 1,-0.2 95,-0.0 -0.618 43.6 158.2 -96.0 102.1 14.9 -16.4 5.3 64 65 A R S S+ 0 0 178 -2,-0.9 2,-0.5 1,-0.1 -1,-0.2 0.601 72.2 64.7 -79.8 -12.4 16.7 -19.0 3.2 65 66 A Q + 0 0 38 92,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.945 58.5 165.6-130.7 116.3 19.8 -16.8 3.4 66 67 A S - 0 0 36 -2,-0.5 2,-0.4 -11,-0.1 -11,-0.2 -0.656 27.1-119.7-125.6 176.0 21.9 -15.8 6.4 67 68 A F E -D 54 0A 0 -13,-2.1 -13,-2.3 -2,-0.2 2,-0.4 -0.959 12.1-126.9-137.7 126.7 25.4 -14.3 6.8 68 69 A E E +D 53 0A 58 -2,-0.4 -15,-0.3 -15,-0.2 69,-0.2 -0.538 27.2 168.7 -77.8 123.7 28.6 -15.4 8.5 69 70 A L E - 0 0 0 -17,-3.2 2,-0.3 -2,-0.4 9,-0.2 0.672 66.6 -7.9-102.1 -26.2 30.1 -12.9 11.0 70 71 A A E -D 52 0A 2 -18,-1.4 -18,-1.9 7,-0.1 -1,-0.3 -0.990 48.2-168.7-162.7 160.2 32.7 -15.2 12.6 71 72 A S B > -E 74 0B 12 3,-0.7 3,-2.7 -2,-0.3 -20,-0.2 -0.929 52.3 -86.3-148.3 166.2 34.1 -18.7 12.8 72 73 A P T 3 S+ 0 0 18 0, 0.0 3,-0.3 0, 0.0 142,-0.1 0.823 128.2 33.8 -52.3 -39.3 36.6 -19.9 15.3 73 74 A K T 3 S+ 0 0 141 1,-0.2 2,-0.2 139,-0.1 3,-0.2 0.453 116.7 61.0 -89.9 4.4 39.8 -18.9 13.3 74 75 A H B < +E 71 0B 96 -3,-2.7 -3,-0.7 1,-0.1 -1,-0.2 -0.571 51.0 122.6-139.6 65.6 38.1 -15.8 11.9 75 76 A T >> + 0 0 0 -3,-0.3 4,-1.8 -5,-0.2 3,-0.8 0.443 52.5 93.7 -99.1 -3.9 37.0 -13.4 14.5 76 77 A E H 3> S+ 0 0 33 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.833 73.5 65.0 -65.9 -37.8 39.1 -10.5 13.1 77 78 A G H 3> S+ 0 0 12 1,-0.2 4,-0.8 2,-0.2 -1,-0.3 0.904 109.5 40.5 -41.5 -47.8 36.2 -9.2 11.0 78 79 A L H <> S+ 0 0 0 -3,-0.8 4,-1.2 -9,-0.2 3,-0.5 0.891 112.4 52.4 -77.0 -42.7 34.5 -8.4 14.3 79 80 A I H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.828 106.3 57.4 -58.2 -29.0 37.5 -7.1 16.2 80 81 A R H X S+ 0 0 124 -4,-2.3 4,-3.3 1,-0.3 -1,-0.2 0.811 100.4 55.5 -78.7 -28.3 38.2 -4.8 13.3 81 82 A S H X S+ 0 0 2 -4,-0.8 4,-1.0 -3,-0.5 -1,-0.3 0.732 104.5 55.1 -71.6 -28.5 34.8 -3.2 13.7 82 83 A I H >X S+ 0 0 0 -4,-1.2 4,-1.6 2,-0.2 3,-0.5 0.983 113.8 39.6 -65.4 -53.9 35.7 -2.5 17.3 83 84 A E H 3X S+ 0 0 20 -4,-2.1 4,-2.8 1,-0.3 5,-0.5 0.958 116.4 50.3 -59.6 -51.4 38.8 -0.6 16.2 84 85 A G H 3X S+ 0 0 2 -4,-3.3 15,-0.7 3,-0.2 4,-0.7 0.707 101.7 64.0 -60.4 -21.8 37.1 1.0 13.3 85 86 A H H << S+ 0 0 37 -4,-1.0 -1,-0.2 -3,-0.5 -2,-0.2 0.980 115.2 29.5 -62.4 -54.0 34.3 2.1 15.5 86 87 A Y H < S+ 0 0 41 -4,-1.6 -2,-0.2 -3,-0.3 -1,-0.1 0.863 141.4 13.4 -70.7 -35.9 36.7 4.3 17.5 87 88 A V H < S- 0 0 57 -4,-2.8 -3,-0.2 1,-0.2 -2,-0.1 0.498 88.6-143.6-131.8 -7.5 39.2 5.2 14.8 88 89 A G < - 0 0 16 -4,-0.7 2,-0.4 -5,-0.5 10,-0.3 -0.238 39.9 -47.1 72.2-159.5 37.9 4.4 11.4 89 90 A Y E -F 97 0C 44 8,-4.1 8,-3.5 -5,-0.1 2,-0.6 -0.928 39.9-134.8-126.1 134.3 39.9 3.0 8.5 90 91 A E E -F 96 0C 151 -2,-0.4 6,-0.2 6,-0.2 2,-0.1 -0.769 27.3-154.1 -92.5 118.8 43.2 4.2 7.0 91 92 A L > - 0 0 64 4,-3.0 3,-2.0 -2,-0.6 -1,-0.0 -0.421 30.7-102.1 -91.7 166.4 43.1 4.4 3.3 92 93 A H T 3 S+ 0 0 209 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.610 119.4 61.4 -66.1 -11.8 45.9 4.1 0.8 93 94 A D T 3 S- 0 0 108 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.158 119.0-107.4 -95.2 16.6 45.9 7.9 0.3 94 95 A G S < S+ 0 0 55 -3,-2.0 -2,-0.1 1,-0.3 2,-0.1 0.363 81.4 129.2 74.5 -8.7 46.8 8.5 4.0 95 96 A K - 0 0 144 -5,-0.1 -4,-3.0 1,-0.0 2,-0.5 -0.378 55.6-130.5 -73.2 159.4 43.2 9.7 4.6 96 97 A Q E -F 90 0C 104 -6,-0.2 2,-0.4 -3,-0.1 -6,-0.2 -0.946 19.9-162.5-117.3 126.6 41.1 8.2 7.5 97 98 A L E -F 89 0C 41 -8,-3.5 -8,-4.1 -2,-0.5 2,-0.1 -0.906 16.1-123.4-115.6 136.3 37.6 7.0 6.9 98 99 A S > - 0 0 54 -2,-0.4 4,-3.4 -10,-0.3 5,-0.2 -0.337 26.5-111.4 -75.7 160.0 34.8 6.3 9.4 99 100 A I H > S+ 0 0 11 -15,-0.7 4,-2.6 1,-0.2 5,-0.2 0.902 118.8 51.6 -59.8 -42.0 33.1 3.0 9.8 100 101 A S H > S+ 0 0 26 2,-0.2 4,-3.7 1,-0.2 -1,-0.2 0.942 111.3 45.0 -56.8 -55.6 29.9 4.5 8.5 101 102 A D H > S+ 0 0 57 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.909 113.0 53.1 -57.1 -38.9 31.5 6.0 5.4 102 103 A M H X S+ 0 0 29 -4,-3.4 4,-2.0 2,-0.2 -2,-0.2 0.902 112.4 43.6 -62.9 -40.6 33.2 2.6 5.0 103 104 A M H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.961 113.6 51.6 -67.6 -46.6 29.9 0.9 5.1 104 105 A A H X>S+ 0 0 0 -4,-3.7 4,-3.2 1,-0.2 5,-0.6 0.926 109.5 50.6 -49.7 -49.8 28.3 3.5 2.9 105 106 A S H X5S+ 0 0 32 -4,-3.0 4,-1.7 1,-0.3 -1,-0.2 0.908 111.4 46.3 -63.9 -45.5 31.1 3.0 0.3 106 107 A Q H <5S+ 0 0 33 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.841 119.6 41.4 -61.7 -35.3 30.8 -0.8 0.2 107 108 A L H <5S+ 0 0 0 -4,-2.4 -2,-0.2 -5,-0.1 3,-0.2 0.945 132.9 13.5 -80.7 -45.4 27.0 -0.6 -0.0 108 109 A F H <5S+ 0 0 11 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.592 121.3 54.8-109.6 -21.5 26.4 2.3 -2.5 109 110 A E S < - 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0 0 14 -4,-2.8 2,-0.4 -5,-0.3 10,-0.3 -0.100 37.7 -54.9 50.0-147.1 39.6 4.7 28.7 279 90 B Y E -L 287 0F 40 8,-3.3 8,-3.3 -4,-0.1 2,-0.7 -0.984 29.5-145.6-142.9 128.8 37.3 4.1 31.7 280 91 B E E -L 286 0F 149 -2,-0.4 6,-0.2 6,-0.2 2,-0.2 -0.891 21.3-143.4 -98.1 117.7 34.6 5.8 33.5 281 92 B L E > -L 285 0F 70 4,-0.8 4,-0.5 -2,-0.7 -2,-0.0 -0.491 23.7-116.2 -73.0 149.4 34.5 5.0 37.2 282 93 B H T 4 S+ 0 0 199 -2,-0.2 2,-0.5 2,-0.2 -1,-0.1 0.909 109.8 63.8 -66.1 -49.9 31.0 4.8 38.7 283 94 B D T 4 S- 0 0 149 1,-0.1 -2,-0.1 -3,-0.0 0, 0.0 -0.690 126.7 -83.0 -56.3 121.7 31.5 7.8 41.0 284 95 B G T 4 S+ 0 0 67 -2,-0.5 2,-0.2 -4,-0.1 -2,-0.2 0.002 85.8 106.8 -45.0 127.7 31.9 10.2 38.1 285 96 B K E < -L 281 0F 136 -4,-0.5 -4,-0.8 -3,-0.1 2,-0.4 -0.842 51.3-129.4 179.8 168.5 35.4 10.3 36.6 286 97 B Q E -L 280 0F 136 -2,-0.2 2,-0.4 -6,-0.2 -6,-0.2 -0.974 18.9-175.4-135.6 127.3 37.4 9.3 33.5 287 98 B L E -L 279 0F 17 -8,-3.3 -8,-3.3 -2,-0.4 -10,-0.0 -0.964 21.7-132.8-122.2 127.7 40.7 7.4 33.3 288 99 B S > - 0 0 59 -2,-0.4 4,-2.8 -10,-0.3 5,-0.2 -0.254 41.8 -99.8 -59.7 164.4 42.8 6.5 30.3 289 100 B I H > S+ 0 0 12 -15,-0.5 4,-2.0 1,-0.2 5,-0.1 0.859 122.9 53.1 -66.3 -32.3 43.9 2.9 30.3 290 101 B S H > S+ 0 0 29 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.950 111.9 43.1 -66.8 -48.6 47.4 3.8 31.7 291 102 B D H > S+ 0 0 56 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.869 110.7 58.0 -64.3 -33.9 46.0 5.7 34.6 292 103 B M H X S+ 0 0 18 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.925 111.9 40.6 -57.1 -42.9 43.5 2.9 35.1 293 104 B M H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.921 113.5 52.6 -74.7 -41.9 46.4 0.6 35.4 294 105 B A H X S+ 0 0 0 -4,-3.2 4,-3.2 2,-0.2 5,-0.5 0.884 109.3 52.3 -57.8 -41.8 48.5 3.0 37.5 295 106 B S H X S+ 0 0 22 -4,-2.9 4,-2.8 2,-0.2 -2,-0.2 0.973 110.8 45.0 -54.4 -58.4 45.5 3.3 39.9 296 107 B Q H < S+ 0 0 33 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.786 120.9 41.2 -59.5 -30.4 45.2 -0.4 40.3 297 108 B L H < S+ 0 0 1 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.867 131.3 18.5 -85.5 -40.0 48.9 -0.8 40.8 298 109 B F H < S+ 0 0 17 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.629 123.6 46.7-114.9 -19.3 49.7 2.2 43.0 299 110 B E S < S+ 0 0 88 -4,-2.8 2,-0.7 -5,-0.5 3,-0.1 -0.015 81.4 102.1-116.2 29.6 46.5 3.4 44.6 300 111 B D > + 0 0 20 1,-0.2 4,-2.0 -4,-0.1 5,-0.1 -0.895 38.2 177.6-114.0 103.7 44.9 0.2 45.8 301 112 B E H > S+ 0 0 141 -2,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.798 84.8 58.2 -71.4 -27.9 45.4 -0.2 49.5 302 113 B Y H > S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 107.8 47.8 -64.3 -44.3 43.4 -3.5 49.4 303 114 B F H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.924 111.9 49.0 -56.9 -48.1 45.9 -4.7 46.9 304 115 B M H X S+ 0 0 36 -4,-2.0 4,-2.8 1,-0.2 3,-0.2 0.935 109.1 53.0 -56.9 -46.6 48.8 -3.6 49.2 305 116 B Y H X S+ 0 0 136 -4,-2.7 4,-2.3 1,-0.3 -1,-0.2 0.881 109.1 49.3 -59.3 -40.9 47.2 -5.3 52.2 306 117 B G H X S+ 0 0 6 -4,-2.1 4,-0.7 2,-0.2 -1,-0.3 0.801 108.8 52.3 -70.2 -32.2 46.9 -8.5 50.3 307 118 B L H >X S+ 0 0 0 -4,-1.8 4,-1.0 -3,-0.2 3,-0.6 0.934 109.1 50.5 -67.2 -48.4 50.6 -8.3 49.2 308 119 B Q H >< S+ 0 0 97 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.972 112.7 46.7 -39.2 -66.6 51.6 -7.8 52.8 309 120 B T H 3< S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.605 94.7 76.9 -59.9 -18.8 49.5 -10.8 53.8 310 121 B Y H << 0 0 71 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.941 360.0 360.0 -62.2 -44.6 51.0 -12.9 50.9 311 122 B A << 0 0 49 -3,-1.2 46,-0.3 -4,-1.0 45,-0.2 0.370 360.0 360.0-140.4 360.0 54.1 -13.4 52.9 312 ! 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 0.0 313 147 B S 0 0 174 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-169.1 34.9 -3.7 43.4 314 148 B S + 0 0 57 1,-0.1 -14,-0.0 2,-0.0 0, 0.0 -0.626 360.0 176.8 -83.7 128.6 37.6 -3.7 46.1 315 149 B N - 0 0 75 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.871 26.4-164.4-115.3 -44.1 39.3 -7.1 46.3 316 150 B T + 0 0 58 1,-0.2 2,-0.7 2,-0.1 -1,-0.1 0.399 56.9 120.2 67.3 -8.6 42.3 -7.9 48.6 317 151 B D > - 0 0 83 1,-0.2 4,-2.3 2,-0.0 5,-0.2 -0.818 53.6-156.9 -90.9 111.2 43.0 -11.1 46.4 318 152 B V H > S+ 0 0 6 -2,-0.7 4,-2.5 1,-0.2 5,-0.2 0.885 88.5 46.8 -58.8 -45.0 46.5 -10.7 45.1 319 153 B I H > S+ 0 0 36 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.914 111.7 50.5 -66.7 -44.0 46.1 -13.0 42.1 320 154 B A H > S+ 0 0 25 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.913 112.0 49.0 -59.6 -46.2 42.8 -11.5 41.0 321 155 B N H X S+ 0 0 10 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.936 112.2 46.5 -57.1 -51.3 44.3 -8.1 41.2 322 156 B I H X S+ 0 0 0 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.901 108.9 56.4 -59.4 -38.4 47.4 -9.0 39.2 323 157 B E H X S+ 0 0 52 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.929 108.8 46.8 -63.1 -41.3 45.2 -10.8 36.6 324 158 B M H X S+ 0 0 68 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.896 108.7 53.7 -70.2 -40.8 43.4 -7.6 36.1 325 159 B L H X S+ 0 0 1 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.941 108.1 53.0 -51.2 -47.7 46.6 -5.6 35.8 326 160 B Y H X S+ 0 0 0 -4,-3.3 4,-1.2 2,-0.2 -2,-0.2 0.896 106.9 51.3 -56.5 -39.2 47.6 -8.0 33.2 327 161 B Q H < S+ 0 0 42 -4,-1.7 3,-0.4 1,-0.2 4,-0.3 0.927 110.3 47.5 -69.0 -46.7 44.4 -7.4 31.3 328 162 B L H >< S+ 0 0 8 -4,-2.3 3,-2.6 1,-0.2 4,-0.3 0.925 105.2 62.4 -50.4 -45.6 44.9 -3.6 31.3 329 163 B A H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.826 94.2 61.0 -58.9 -32.8 48.5 -4.1 30.2 330 164 B T T 3< S+ 0 0 0 -4,-1.2 -127,-1.7 -3,-0.4 -128,-0.5 0.573 103.4 51.4 -74.2 -8.5 47.4 -5.7 26.9 331 165 B G T < S+ 0 0 0 -3,-2.6 2,-0.6 -4,-0.3 -1,-0.3 0.429 90.2 92.8-100.7 3.1 45.5 -2.5 25.9 332 166 B I < - 0 0 3 -3,-1.4 2,-0.4 -4,-0.3 -57,-0.0 -0.852 57.2-158.5-109.3 115.9 48.4 -0.0 26.4 333 167 B N S S+ 0 0 74 -2,-0.6 -104,-0.0 1,-0.2 -3,-0.0 -0.773 76.1 0.0 -92.6 134.6 50.7 1.0 23.6 334 168 B E S S- 0 0 182 -2,-0.4 -1,-0.2 1,-0.2 2,-0.2 0.950 84.4-156.6 55.7 60.7 54.1 2.4 24.6 335 169 B P - 0 0 17 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 -0.462 21.1-106.8 -71.2 136.6 53.7 2.2 28.4 336 170 B V >> - 0 0 67 -2,-0.2 3,-1.8 1,-0.1 4,-1.2 -0.182 39.5-105.8 -45.7 144.6 55.8 4.5 30.6 337 171 B P H 3> S+ 0 0 93 0, 0.0 4,-3.4 0, 0.0 5,-0.3 0.722 115.4 68.1 -61.7 -18.5 58.5 2.5 32.3 338 172 B E H 3> S+ 0 0 28 2,-0.2 4,-1.2 1,-0.2 32,-0.1 0.728 99.0 47.9 -78.2 -23.4 56.7 2.6 35.6 339 173 B L H <> S+ 0 0 0 -3,-1.8 4,-2.8 3,-0.2 5,-0.3 0.934 115.4 46.7 -74.3 -50.9 53.9 0.4 34.4 340 174 B V H X S+ 0 0 43 -4,-1.2 4,-1.9 2,-0.2 -2,-0.2 0.946 117.7 40.3 -47.3 -58.0 56.4 -2.0 33.0 341 175 B E H X S+ 0 0 85 -4,-3.4 4,-2.6 1,-0.2 5,-0.3 0.957 114.7 55.6 -65.2 -45.1 58.6 -2.1 36.1 342 176 B G H X S+ 0 0 0 -4,-1.2 4,-1.6 -5,-0.3 -2,-0.2 0.903 109.3 44.2 -46.4 -51.4 55.5 -2.1 38.4 343 177 B L H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.867 112.8 53.2 -68.5 -33.7 54.0 -5.2 36.8 344 178 B K H X S+ 0 0 51 -4,-1.9 4,-2.2 -5,-0.3 -2,-0.2 0.913 108.8 47.6 -67.7 -42.8 57.3 -7.0 36.8 345 179 B L H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.842 114.4 46.6 -68.8 -35.5 58.0 -6.4 40.6 346 180 B V H X S+ 0 0 0 -4,-1.6 4,-1.2 -5,-0.3 -1,-0.2 0.917 113.6 47.7 -71.8 -41.9 54.5 -7.5 41.5 347 181 B T H X S+ 0 0 2 -4,-2.3 4,-0.8 -5,-0.2 -2,-0.2 0.853 114.2 48.3 -73.0 -27.6 54.6 -10.6 39.3 348 182 B E H >< S+ 0 0 55 -4,-2.2 3,-1.3 1,-0.2 -2,-0.2 0.963 104.2 58.2 -68.1 -53.8 58.1 -11.5 40.7 349 183 B F H 3< S+ 0 0 12 -4,-2.3 4,-0.4 1,-0.3 6,-0.3 0.787 105.0 52.5 -46.5 -34.0 57.1 -11.1 44.3 350 184 B V H 3< S+ 0 0 2 -4,-1.2 2,-1.0 2,-0.1 -1,-0.3 0.740 79.9 90.8 -86.9 -22.8 54.4 -13.7 43.9 351 185 B Q S << S- 0 0 11 -3,-1.3 -99,-0.1 -4,-0.8 -98,-0.0 -0.658 103.3-105.1 -62.5 104.3 56.6 -16.4 42.4 352 186 B D + 0 0 88 -2,-1.0 -2,-0.1 1,-0.2 -1,-0.1 -0.062 58.0 164.9 -68.2 133.1 57.2 -17.6 45.9 353 187 B E S S- 0 0 113 -4,-0.4 -1,-0.2 3,-0.0 -3,-0.1 0.010 79.6 -99.8 -92.8 20.4 60.3 -17.1 48.0 354 188 B N - 0 0 133 -4,-0.1 -2,-0.1 1,-0.1 -4,-0.1 0.931 65.2-126.5 41.7 52.4 57.8 -18.1 50.6 355 189 B A - 0 0 3 -6,-0.3 2,-0.1 1,-0.1 -1,-0.1 0.245 25.7-135.1 -50.4 146.3 58.4 -14.4 50.5 356 190 B T > - 0 0 66 -45,-0.2 4,-2.1 1,-0.1 3,-0.2 -0.343 25.7-101.7 -96.9 170.8 59.3 -12.8 53.7 357 191 B Q H > S+ 0 0 138 -46,-0.3 4,-2.1 1,-0.2 5,-0.2 0.837 124.6 56.3 -57.4 -31.3 58.2 -9.5 55.4 358 192 B E H > S+ 0 0 119 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.868 104.4 49.3 -70.6 -39.0 61.4 -8.1 54.2 359 193 B D H > S+ 0 0 43 -3,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.900 110.8 52.8 -68.2 -37.3 60.7 -8.9 50.5 360 194 B Y H X S+ 0 0 12 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.927 112.1 42.5 -61.8 -46.4 57.3 -7.4 51.0 361 195 B K H X S+ 0 0 90 -4,-2.1 4,-1.6 2,-0.2 5,-0.2 0.839 109.7 56.7 -77.5 -29.0 58.6 -4.1 52.3 362 196 B A H X S+ 0 0 25 -4,-2.3 4,-2.1 1,-0.2 3,-0.3 0.946 111.9 45.4 -54.9 -48.7 61.4 -3.9 49.8 363 197 B L H X S+ 0 0 9 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.845 107.9 56.8 -61.3 -36.4 58.6 -4.2 47.2 364 198 B E H X S+ 0 0 73 -4,-1.8 4,-1.0 2,-0.2 -1,-0.2 0.790 109.2 45.1 -76.0 -24.8 56.5 -1.6 48.9 365 199 B R H X S+ 0 0 140 -4,-1.6 4,-2.5 -3,-0.3 5,-0.2 0.913 111.1 53.4 -78.1 -43.7 59.2 1.0 48.8 366 200 B K H X S+ 0 0 105 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.920 110.5 47.1 -52.2 -47.6 60.0 0.2 45.1 367 201 B L H X S+ 0 0 6 -4,-2.4 4,-3.5 1,-0.2 -1,-0.2 0.866 110.1 53.1 -66.8 -36.4 56.4 0.7 44.1 368 202 B N H X S+ 0 0 76 -4,-1.0 4,-1.5 -5,-0.2 -1,-0.2 0.898 105.2 54.5 -62.3 -38.8 56.3 3.9 46.1 369 203 B D H X S+ 0 0 110 -4,-2.5 4,-1.5 2,-0.2 -1,-0.2 0.835 114.4 42.1 -57.2 -35.9 59.3 5.1 44.2 370 204 B L H X S+ 0 0 24 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.891 108.2 55.1 -85.5 -44.4 57.4 4.4 41.0 371 205 B K H X S+ 0 0 56 -4,-3.5 4,-1.7 1,-0.2 -2,-0.2 0.839 108.3 57.3 -48.3 -29.7 54.1 5.8 42.3 372 206 B A H < S+ 0 0 61 -4,-1.5 5,-0.3 -5,-0.2 -2,-0.2 0.926 112.7 34.2 -77.3 -44.9 56.4 8.9 42.8 373 207 B S H < S+ 0 0 67 -4,-1.5 -2,-0.2 1,-0.1 -1,-0.2 0.874 115.3 57.7 -73.2 -37.1 57.6 9.3 39.3 374 208 B Y H < S+ 0 0 43 -4,-3.4 2,-0.4 -5,-0.1 -2,-0.2 0.950 112.7 38.5 -58.6 -48.3 54.3 8.2 37.7 375 209 B Y S < S- 0 0 33 -4,-1.7 2,-0.4 -5,-0.3 -1,-0.1 -0.814 89.3-116.4-103.8 140.4 52.3 10.8 39.4 376 210 B S >> - 0 0 57 -2,-0.4 3,-2.8 1,-0.2 4,-1.6 -0.608 26.5-131.0 -69.5 126.4 53.3 14.4 40.0 377 211 B L H 3> S+ 0 0 132 -2,-0.4 4,-2.0 1,-0.3 -1,-0.2 0.820 105.7 59.6 -41.5 -41.5 53.4 14.8 43.8 378 212 B S H 3> S+ 0 0 92 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.617 106.3 49.5 -72.6 -9.5 51.4 18.0 43.7 379 213 B K H <> S+ 0 0 147 -3,-2.8 4,-1.0 2,-0.2 3,-0.2 0.854 106.3 51.4 -95.6 -44.3 48.6 16.0 42.1 380 214 B L H < S+ 0 0 42 -4,-1.6 3,-0.3 1,-0.2 -2,-0.2 0.867 110.4 56.8 -48.5 -36.8 48.6 13.2 44.6 381 215 B A H >< S+ 0 0 69 -4,-2.0 3,-1.1 -5,-0.3 -1,-0.2 0.840 103.0 48.1 -73.4 -37.6 48.4 16.1 47.0 382 216 B A H 3< S+ 0 0 87 -4,-0.7 -1,-0.2 -3,-0.2 -2,-0.2 0.608 102.0 67.1 -78.8 -11.4 45.2 17.6 45.6 383 217 B A T 3< 0 0 68 -4,-1.0 -1,-0.2 -3,-0.3 -2,-0.2 0.356 360.0 360.0 -91.8 3.6 43.7 14.1 45.7 384 218 B L < 0 0 206 -3,-1.1 -1,-0.1 -5,-0.1 -4,-0.0 -0.703 360.0 360.0 109.8 360.0 43.8 14.3 49.4