==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER VIRAL PROTEIN, TRANSCRIPTION 14-MAR-12 4E5L . COMPND 2 MOLECULE: POLYMERASE PROTEIN PA; . SOURCE 2 ORGANISM_SCIENTIFIC: INFLUENZA A VIRUS; . AUTHOR R.M.DUBOIS,P.J.SLAVISH,T.R.WEBB,S.W.WHITE . 719 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34392.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 509 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 6.7 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 . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 23 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 333 46.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 0 4 0 1 1 2 5 2 1 4 0 0 1 6 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 4 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 12 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 . 0 0 0 4 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 1 A M > 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -34.8 -26.7 -4.6 -32.7 2 2 A E H > + 0 0 35 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.930 360.0 42.4 -62.4 -50.5 -24.9 -2.4 -30.2 3 3 A D H > S+ 0 0 123 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.825 110.9 58.0 -64.1 -35.5 -28.1 -1.1 -28.6 4 4 A F H > S+ 0 0 9 1,-0.2 4,-1.1 2,-0.2 3,-0.4 0.922 105.8 48.6 -62.5 -44.6 -29.5 -4.6 -28.7 5 5 A V H >X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 3,-0.6 0.917 109.4 53.9 -57.7 -44.7 -26.5 -5.9 -26.6 6 6 A R H 3< S+ 0 0 90 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.753 116.1 36.4 -68.9 -23.1 -27.0 -3.0 -24.1 7 7 A Q H 3< S+ 0 0 119 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.497 115.6 55.3-103.5 -6.1 -30.7 -3.8 -23.5 8 8 A C H << S+ 0 0 20 -4,-1.1 2,-0.3 -3,-0.6 -2,-0.2 0.800 107.9 43.3 -93.7 -37.9 -30.3 -7.6 -23.7 9 9 A F S < S- 0 0 8 -4,-2.1 31,-0.0 -5,-0.2 -1,-0.0 -0.753 94.1 -96.0-108.5 157.2 -27.6 -8.2 -21.1 10 10 A N >> - 0 0 78 -2,-0.3 4,-2.3 1,-0.1 3,-0.9 -0.426 36.6-110.1 -73.4 148.9 -27.2 -6.6 -17.6 11 11 A P H 3> S+ 0 0 107 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.776 116.8 55.7 -44.4 -39.9 -25.0 -3.5 -17.2 12 12 A M H 3> S+ 0 0 104 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.893 109.4 44.9 -65.1 -44.9 -22.4 -5.5 -15.2 13 13 A I H <> S+ 0 0 6 -3,-0.9 4,-2.4 2,-0.2 -1,-0.2 0.935 113.6 51.5 -64.2 -45.7 -22.0 -8.1 -18.0 14 14 A V H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.890 109.4 49.8 -57.6 -43.0 -21.8 -5.3 -20.6 15 15 A E H X S+ 0 0 132 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.912 110.6 48.7 -65.9 -43.0 -19.1 -3.5 -18.6 16 16 A L H X S+ 0 0 46 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.848 110.9 51.7 -65.4 -34.6 -17.0 -6.7 -18.3 17 17 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.908 108.3 51.3 -67.4 -42.9 -17.4 -7.3 -22.0 18 18 A E H X S+ 0 0 41 -4,-2.4 4,-2.4 1,-0.2 3,-0.3 0.958 111.1 47.8 -56.9 -54.1 -16.3 -3.7 -22.8 19 19 A K H X S+ 0 0 110 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 109.6 53.2 -48.5 -48.8 -13.1 -4.1 -20.7 20 20 A A H X S+ 0 0 34 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.858 112.0 44.9 -62.7 -37.0 -12.3 -7.4 -22.3 21 21 A M H X>S+ 0 0 0 -4,-1.8 5,-2.4 -3,-0.3 4,-0.6 0.853 110.4 53.0 -73.8 -39.5 -12.5 -5.9 -25.8 22 22 A K H ><5S+ 0 0 135 -4,-2.4 3,-1.0 1,-0.2 -2,-0.2 0.893 103.8 57.9 -64.6 -39.2 -10.5 -2.8 -24.9 23 23 A E H 3<5S+ 0 0 123 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.846 111.2 42.6 -57.0 -36.7 -7.7 -5.0 -23.5 24 24 A Y H 3<5S- 0 0 171 -4,-0.8 -1,-0.2 -3,-0.2 -2,-0.2 0.477 118.0-110.1 -92.2 -1.6 -7.5 -6.7 -26.9 25 25 A G T <<5S+ 0 0 70 -3,-1.0 2,-0.2 -4,-0.6 -3,-0.2 0.596 73.2 134.6 84.5 11.6 -7.7 -3.4 -28.9 26 26 A E < - 0 0 44 -5,-2.4 -1,-0.3 -6,-0.1 -2,-0.1 -0.599 51.6-132.0 -89.4 153.9 -11.2 -4.2 -30.3 27 27 A D >> - 0 0 75 -2,-0.2 4,-2.8 1,-0.1 3,-1.7 -0.937 2.4-153.3-110.7 115.1 -14.0 -1.5 -30.4 28 28 A P T 34 S+ 0 0 3 0, 0.0 7,-0.2 0, 0.0 -1,-0.1 0.800 97.1 58.0 -50.8 -33.2 -17.5 -2.6 -29.1 29 29 A K T 34 S+ 0 0 138 1,-0.1 3,-0.2 2,-0.1 -27,-0.1 0.716 119.1 28.2 -73.6 -24.2 -19.1 0.0 -31.4 30 30 A I T <4 S+ 0 0 129 -3,-1.7 2,-1.4 1,-0.2 3,-0.2 0.840 121.1 46.9-102.7 -51.3 -17.5 -1.5 -34.5 31 31 A E X + 0 0 75 -4,-2.8 4,-1.5 1,-0.2 3,-0.2 -0.519 69.9 156.9 -89.5 68.6 -17.1 -5.2 -33.8 32 32 A T H > + 0 0 29 -2,-1.4 4,-2.1 1,-0.2 -1,-0.2 0.685 63.9 59.1 -77.8 -19.8 -20.6 -5.6 -32.4 33 33 A N H > S+ 0 0 21 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.913 107.2 46.3 -68.4 -44.0 -20.9 -9.3 -33.0 34 34 A K H > S+ 0 0 78 -3,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.841 109.9 56.3 -69.7 -31.1 -17.9 -10.1 -30.8 35 35 A F H X S+ 0 0 0 -4,-1.5 4,-2.3 2,-0.2 3,-0.3 0.979 110.5 43.0 -58.1 -57.4 -19.3 -7.7 -28.3 36 36 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.894 113.4 52.8 -56.3 -43.2 -22.6 -9.8 -28.2 37 37 A A H X S+ 0 0 20 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.857 108.9 49.1 -63.1 -38.0 -20.6 -13.0 -28.2 38 38 A I H X S+ 0 0 33 -4,-2.1 4,-2.5 -3,-0.3 -1,-0.2 0.901 110.8 49.6 -73.0 -40.0 -18.6 -11.9 -25.2 39 39 A C H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.906 112.1 49.9 -58.4 -43.7 -21.6 -10.9 -23.2 40 40 A T H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.932 110.0 48.8 -62.3 -47.4 -23.2 -14.2 -24.1 41 41 A H H X S+ 0 0 35 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.952 112.4 49.0 -61.4 -48.0 -20.2 -16.2 -22.9 42 42 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.927 109.8 51.5 -53.1 -50.6 -20.0 -14.2 -19.6 43 43 A E H X S+ 0 0 32 -4,-2.7 4,-2.7 1,-0.2 -1,-0.2 0.904 110.5 48.7 -55.2 -42.9 -23.7 -14.8 -19.0 44 44 A V H X S+ 0 0 4 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.901 108.4 53.2 -66.8 -43.0 -23.4 -18.5 -19.5 45 45 A C H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 -1,-0.2 0.903 112.8 44.8 -55.9 -41.7 -20.3 -18.7 -17.2 46 46 A F H X S+ 0 0 45 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 113.3 48.2 -72.9 -46.6 -22.3 -16.9 -14.4 47 47 A M H X S+ 0 0 28 -4,-2.7 4,-1.3 1,-0.2 -2,-0.2 0.946 113.6 49.9 -53.0 -48.6 -25.5 -19.0 -14.9 48 48 A Y H >< S+ 0 0 0 -4,-2.9 3,-0.7 1,-0.2 4,-0.3 0.917 109.2 49.4 -58.7 -48.9 -23.3 -22.1 -14.8 49 49 A S H >< S+ 0 0 23 -4,-2.4 3,-0.5 1,-0.3 8,-0.3 0.824 113.2 49.1 -60.3 -31.5 -21.5 -21.0 -11.6 50 50 A D H 3< S+ 0 0 92 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.717 92.6 83.3 -75.8 -23.4 -24.9 -20.4 -10.1 51 50AA G T << S+ 0 0 8 -4,-1.3 94,-0.3 -3,-0.7 -1,-0.2 0.605 91.4 37.5 -61.2 -18.2 -26.1 -23.9 -11.3 52 50BA G S < S- 0 0 28 -3,-0.5 2,-0.1 -4,-0.3 92,-0.1 -0.224 111.7 -28.5-113.2-144.4 -24.8 -26.0 -8.4 53 50CA S S > S- 0 0 56 1,-0.2 3,-3.0 -2,-0.1 4,-0.3 -0.414 75.2-101.7 -79.0 143.6 -24.3 -25.7 -4.6 54 73 A K T 3 S+ 0 0 175 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.497 116.5 27.3 -54.2 -9.9 -23.8 -22.1 -3.7 55 74 A H T 3 S+ 0 0 83 355,-0.1 -1,-0.3 1,-0.1 455,-0.1 0.086 84.6 111.3-135.9 25.8 -20.0 -22.3 -3.3 56 75 A R < + 0 0 14 -3,-3.0 37,-2.8 -7,-0.2 2,-0.5 0.801 69.6 60.3 -68.5 -32.4 -19.0 -25.2 -5.6 57 76 A F E -A 92 0A 21 -8,-0.3 2,-0.6 -4,-0.3 35,-0.2 -0.856 62.4-147.6-115.0 130.3 -17.2 -23.0 -8.2 58 77 A E E -A 91 0A 35 33,-2.5 33,-2.2 -2,-0.5 2,-0.6 -0.799 31.1-138.4 -78.2 124.2 -14.2 -20.7 -8.3 59 78 A I E +A 90 0A 54 -2,-0.6 31,-0.2 31,-0.2 30,-0.1 -0.800 34.4 163.5 -88.9 120.2 -15.2 -18.1 -11.0 60 79 A I > + 0 0 3 29,-2.9 3,-1.2 -2,-0.6 30,-0.2 0.801 50.5 80.5-104.8 -42.5 -12.2 -17.4 -13.2 61 80 A E T 3 S+ 0 0 49 28,-2.3 3,-0.1 1,-0.2 28,-0.1 -0.319 89.7 35.0 -66.1 147.0 -13.7 -15.7 -16.2 62 81 A G T 3 S+ 0 0 26 1,-0.4 -1,-0.2 -46,-0.1 2,-0.1 0.160 93.6 108.8 93.7 -21.2 -14.6 -12.0 -15.8 63 82 A R S < S- 0 0 100 -3,-1.2 -1,-0.4 1,-0.1 2,-0.2 -0.407 84.1 -86.5 -80.7 163.9 -11.6 -11.2 -13.5 64 83 A D > - 0 0 98 1,-0.1 4,-2.8 -2,-0.1 3,-0.3 -0.511 44.9-115.2 -64.5 141.9 -8.6 -9.1 -14.5 65 84 A R H > S+ 0 0 131 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.870 111.8 48.5 -51.0 -51.3 -6.0 -11.4 -16.2 66 85 A T H > S+ 0 0 114 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.873 114.6 45.3 -62.1 -41.4 -3.3 -11.1 -13.5 67 86 A M H > S+ 0 0 69 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.870 110.1 56.0 -68.6 -35.8 -5.7 -11.8 -10.7 68 87 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.957 109.2 46.5 -58.7 -49.4 -7.2 -14.7 -12.6 69 88 A W H X S+ 0 0 44 -4,-2.8 4,-3.1 1,-0.2 -2,-0.2 0.897 109.9 53.5 -59.2 -43.2 -3.8 -16.2 -12.9 70 89 A T H X S+ 0 0 14 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.908 111.2 45.8 -56.7 -46.0 -3.1 -15.7 -9.2 71 90 A V H X S+ 0 0 6 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.933 111.5 52.2 -67.0 -42.7 -6.3 -17.5 -8.3 72 91 A V H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.940 109.0 50.6 -53.6 -52.6 -5.5 -20.3 -10.7 73 92 A N H X S+ 0 0 29 -4,-3.1 4,-2.4 1,-0.2 -1,-0.2 0.807 107.3 53.6 -56.3 -34.6 -2.1 -20.7 -9.1 74 93 A S H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.932 109.2 48.3 -69.9 -45.4 -3.6 -20.9 -5.6 75 94 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 5,-0.4 0.948 114.0 46.5 -54.7 -51.3 -6.0 -23.7 -6.7 76 95 A C H X S+ 0 0 14 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.930 113.3 48.3 -59.6 -44.0 -3.1 -25.6 -8.3 77 96 A N H < S+ 0 0 95 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.809 119.4 38.4 -70.8 -26.7 -0.8 -25.2 -5.4 78 97 A T H < S+ 0 0 24 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.729 124.9 34.9 -96.0 -25.4 -3.4 -26.2 -2.9 79 98 A T H < S- 0 0 43 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.633 94.5-128.2-102.3 -19.1 -5.2 -29.1 -4.8 80 99 A G < + 0 0 66 -4,-2.1 -4,-0.1 -5,-0.4 3,-0.1 -0.045 58.2 146.8 90.4 -30.9 -2.2 -30.6 -6.7 81 100 A V - 0 0 19 -6,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.042 57.2 -95.9 -41.3 141.4 -4.2 -30.3 -9.9 82 101 A E - 0 0 85 1,-0.1 -1,-0.1 -3,-0.1 -5,-0.0 -0.298 39.9-106.8 -67.6 147.0 -2.1 -29.6 -13.0 83 102 A K - 0 0 107 -3,-0.1 -1,-0.1 1,-0.1 -10,-0.0 -0.651 31.4-127.3 -82.8 121.2 -1.7 -25.9 -14.2 84 103 A P - 0 0 12 0, 0.0 36,-0.1 0, 0.0 -1,-0.1 -0.278 1.1-143.1 -67.4 152.9 -3.6 -24.9 -17.4 85 104 A K S S+ 0 0 135 34,-0.4 2,-0.3 2,-0.1 35,-0.1 0.712 88.9 39.3 -87.5 -26.3 -1.8 -23.3 -20.3 86 105 A F S S- 0 0 97 33,-0.1 -1,-0.1 0, 0.0 33,-0.0 -0.898 101.4 -92.4-122.0 153.0 -4.8 -21.1 -21.0 87 106 A L - 0 0 46 -2,-0.3 2,-0.1 1,-0.0 -2,-0.1 -0.494 42.5-153.6 -62.5 121.4 -7.1 -19.3 -18.6 88 107 A P - 0 0 4 0, 0.0 12,-0.2 0, 0.0 3,-0.1 -0.226 15.5-125.9 -82.8-175.6 -10.1 -21.5 -17.9 89 108 A D S S+ 0 0 5 10,-2.2 -29,-2.9 1,-0.3 -28,-2.3 0.786 79.0 5.8-102.0 -33.2 -13.5 -20.1 -16.9 90 109 A L E -AB 59 99A 0 9,-1.7 9,-2.6 -31,-0.2 2,-0.4 -0.943 53.8-141.0-146.2 157.3 -14.3 -22.0 -13.7 91 110 A Y E -AB 58 98A 0 -33,-2.2 -33,-2.5 -2,-0.3 2,-0.8 -1.000 17.8-145.3-125.8 137.9 -12.9 -24.4 -11.2 92 111 A D E >> -AB 57 97A 0 5,-2.6 4,-1.9 -2,-0.4 5,-1.0 -0.866 8.9-169.2-105.0 103.7 -15.2 -27.0 -9.7 93 112 A Y T 45S+ 0 0 6 -37,-2.8 -1,-0.2 -2,-0.8 -36,-0.1 0.777 86.9 53.8 -63.6 -28.4 -14.3 -27.7 -6.1 94 113 A K T 45S+ 0 0 118 -38,-0.4 -1,-0.2 1,-0.1 -37,-0.1 0.922 120.1 28.6 -70.1 -46.8 -16.5 -30.8 -6.0 95 114 A E T 45S- 0 0 83 2,-0.2 -2,-0.2 0, 0.0 -1,-0.1 0.572 101.1-129.4 -94.2 -9.5 -15.0 -32.6 -9.1 96 115 A N T <5 + 0 0 68 -4,-1.9 2,-0.3 1,-0.2 -3,-0.2 0.928 67.2 105.8 58.4 52.4 -11.5 -31.1 -8.7 97 116 A R E < -B 92 0A 29 -5,-1.0 -5,-2.6 -16,-0.1 -1,-0.2 -0.987 68.6-114.5-150.4 151.0 -11.0 -29.9 -12.3 98 117 A F E -B 91 0A 1 -2,-0.3 27,-2.6 -7,-0.2 2,-0.4 -0.551 31.6-143.6 -75.3 156.4 -11.0 -26.6 -14.2 99 118 A I E -Bc 90 125A 0 -9,-2.6 -10,-2.2 25,-0.2 -9,-1.7 -0.995 8.2-157.1-127.2 131.2 -13.8 -26.1 -16.7 100 119 A E E - c 0 126A 15 25,-2.9 27,-2.2 -2,-0.4 2,-0.5 -0.938 17.0-156.3-101.3 124.9 -13.6 -24.4 -20.0 101 120 A I E - c 0 127A 0 -2,-0.6 2,-0.3 25,-0.2 27,-0.2 -0.905 10.7-172.3-106.8 128.4 -17.0 -23.2 -21.2 102 121 A G E - c 0 128A 0 25,-2.4 27,-2.5 -2,-0.5 2,-0.4 -0.893 13.6-168.0-118.8 147.4 -17.8 -22.6 -24.8 103 122 A V E - c 0 129A 17 -2,-0.3 2,-0.3 25,-0.2 27,-0.2 -0.977 20.3-177.3-133.0 120.0 -20.7 -21.1 -26.7 104 123 A T E - c 0 130A 0 25,-2.7 27,-1.1 -2,-0.4 4,-0.1 -0.902 38.5-158.2-125.3 150.1 -20.8 -21.6 -30.4 105 124 A R S S+ 0 0 39 -2,-0.3 2,-0.2 25,-0.2 25,-0.1 0.348 90.3 60.4 -95.5 -1.6 -23.0 -20.6 -33.4 106 125 A R S S- 0 0 47 1,-0.2 -2,-0.2 70,-0.1 25,-0.1 -0.479 109.5 -46.0-115.7-176.2 -21.5 -23.6 -35.1 107 126 A E > - 0 0 61 -2,-0.2 4,-2.1 1,-0.1 3,-0.3 -0.294 44.3-133.1 -66.8 135.8 -21.5 -27.3 -34.3 108 127 A V H > S+ 0 0 5 1,-0.2 4,-3.0 2,-0.2 -1,-0.1 0.873 105.5 48.3 -48.6 -47.2 -20.8 -28.4 -30.8 109 128 A H H > S+ 0 0 107 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.835 108.9 53.3 -70.8 -31.1 -18.3 -31.1 -31.8 110 129 A T H > S+ 0 0 41 -3,-0.3 4,-2.2 2,-0.2 5,-0.2 0.998 115.3 39.3 -63.8 -61.6 -16.4 -28.8 -34.2 111 130 A Y H X S+ 0 0 49 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.912 113.0 57.6 -51.2 -47.2 -15.9 -26.2 -31.4 112 131 A Y H X S+ 0 0 33 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.938 109.5 44.3 -53.0 -51.6 -15.3 -28.9 -28.9 113 132 A L H X S+ 0 0 100 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.859 112.4 50.3 -62.3 -40.8 -12.4 -30.3 -30.9 114 133 A E H X S+ 0 0 96 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.890 115.1 45.5 -60.7 -40.6 -10.8 -26.9 -31.7 115 134 A K H X S+ 0 0 25 -4,-2.6 4,-1.3 -5,-0.2 -2,-0.2 0.856 112.0 51.5 -72.4 -38.5 -10.9 -26.0 -28.0 116 135 A A H X S+ 0 0 21 -4,-2.4 4,-1.8 -5,-0.3 5,-0.5 0.895 111.0 44.9 -67.2 -43.3 -9.6 -29.4 -26.9 117 136 A N H < S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.648 109.8 58.0 -79.0 -16.8 -6.5 -29.4 -29.1 118 137 A K H < S+ 0 0 103 -4,-0.8 -1,-0.2 -5,-0.2 -2,-0.2 0.840 113.2 37.0 -76.3 -37.1 -5.8 -25.8 -28.2 119 138 A I H < S- 0 0 13 -4,-1.3 -34,-0.4 -3,-0.1 -2,-0.2 0.766 86.5-153.9 -91.6 -28.9 -5.5 -26.5 -24.5 120 139 A K < + 0 0 141 -4,-1.8 2,-0.4 1,-0.2 -3,-0.1 0.947 40.4 144.3 54.7 60.3 -3.8 -30.0 -24.6 121 140 A S - 0 0 29 -5,-0.5 -1,-0.2 3,-0.1 -2,-0.1 -0.972 45.9-173.2-139.4 120.9 -5.2 -31.2 -21.2 122 141 A E S S+ 0 0 167 -2,-0.4 -1,-0.1 1,-0.1 3,-0.0 0.237 97.3 47.6 -85.6 9.9 -6.4 -34.6 -20.0 123 142 A E S S+ 0 0 75 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.743 86.0 85.1-115.8 -47.5 -7.5 -32.7 -16.9 124 143 A T S S- 0 0 13 -27,-0.1 2,-0.2 -25,-0.1 -25,-0.2 -0.447 72.4-136.2 -66.1 123.9 -9.5 -29.6 -17.9 125 144 A H E -c 99 0A 10 -27,-2.6 -25,-2.9 -2,-0.3 2,-0.4 -0.546 15.3-150.7 -80.1 143.8 -13.1 -30.4 -18.5 126 145 A I E +c 100 0A 5 -27,-0.2 12,-2.2 -2,-0.2 2,-0.4 -0.950 15.0 179.8-120.6 138.8 -14.8 -28.9 -21.6 127 146 A H E -cD 101 137A 0 -27,-2.2 -25,-2.4 -2,-0.4 2,-0.4 -0.924 7.2-169.5-143.3 111.2 -18.4 -28.0 -21.9 128 147 A I E -cD 102 136A 0 8,-3.1 8,-1.8 -2,-0.4 2,-0.3 -0.829 1.7-170.0-107.6 141.0 -19.8 -26.5 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-13,-0.0 -0.183 116.8 -3.9 -53.5 128.0 -15.8 -34.2 -21.9 139 158 A K G 3 S- 0 0 183 1,-0.3 -1,-0.3 3,-0.1 3,-0.1 0.803 118.3 -81.2 55.2 33.9 -16.8 -37.8 -21.3 140 159 A A G < S+ 0 0 65 -3,-2.6 2,-0.8 1,-0.2 -1,-0.3 0.795 92.4 142.3 41.8 32.7 -20.4 -36.7 -21.5 141 160 A D < - 0 0 52 -3,-1.8 -1,-0.2 -4,-0.1 -3,-0.1 -0.875 31.1-173.6-101.9 97.8 -20.1 -35.6 -17.9 142 161 A Y - 0 0 72 -2,-0.8 2,-3.4 1,-0.2 -1,-0.1 0.311 18.7-148.0 -82.0 6.8 -22.2 -32.5 -17.9 143 162 A T + 0 0 18 -6,-0.0 -1,-0.2 -51,-0.0 2,-0.1 -0.236 69.9 68.0 66.8 -60.4 -21.3 -31.5 -14.3 144 163 A L S S- 0 0 11 -2,-3.4 -2,-0.1 1,-0.2 -92,-0.1 -0.370 91.0 -96.5 -90.2 163.6 -24.6 -29.8 -13.6 145 164 A D > - 0 0 84 -94,-0.3 4,-1.6 -2,-0.1 3,-0.3 -0.289 42.3-101.8 -70.8 166.3 -28.1 -31.2 -13.1 146 165 A E H > S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.859 117.4 57.6 -55.6 -43.8 -30.5 -31.2 -16.1 147 166 A E H > S+ 0 0 40 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 105.9 48.0 -60.1 -43.8 -32.5 -28.2 -14.8 148 167 A S H > S+ 0 0 6 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.884 114.6 45.6 -68.0 -40.1 -29.5 -25.9 -14.7 149 168 A R H X S+ 0 0 18 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.914 111.0 53.7 -69.2 -39.2 -28.3 -26.8 -18.2 150 169 A A H X S+ 0 0 10 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.903 104.9 54.2 -62.9 -41.3 -31.8 -26.5 -19.5 151 170 A R H X S+ 0 0 70 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.890 109.6 48.3 -59.7 -41.7 -32.2 -23.0 -18.2 152 171 A I H X S+ 0 0 2 -4,-1.4 4,-3.0 2,-0.2 -1,-0.2 0.935 109.8 51.5 -62.4 -46.8 -29.0 -22.0 -20.0 153 172 A K H X S+ 0 0 25 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.920 110.5 49.0 -59.9 -44.8 -30.1 -23.6 -23.3 154 173 A T H X S+ 0 0 4 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.935 110.5 50.2 -58.3 -49.2 -33.4 -21.7 -23.1 155 174 A R H X S+ 0 0 59 -4,-2.3 4,-2.3 1,-0.2 3,-0.2 0.969 111.0 49.1 -57.9 -51.4 -31.6 -18.4 -22.4 156 175 A L H X S+ 0 0 1 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.917 110.7 50.7 -50.2 -47.6 -29.3 -19.0 -25.4 157 176 A F H X S+ 0 0 20 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.863 107.9 53.1 -63.3 -34.1 -32.3 -19.8 -27.6 158 177 A T H X S+ 0 0 12 -4,-2.3 4,-2.7 -3,-0.2 -1,-0.2 0.911 106.5 52.1 -65.5 -43.0 -34.0 -16.6 -26.5 159 178 A I H X S+ 0 0 1 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.938 109.9 49.9 -58.9 -46.8 -30.9 -14.5 -27.4 160 179 A R H X S+ 0 0 51 -4,-2.2 4,-3.1 1,-0.2 -2,-0.2 0.903 113.2 45.8 -55.8 -46.5 -31.0 -16.1 -30.9 161 180 A Q H X S+ 0 0 38 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.899 111.6 51.9 -63.4 -41.0 -34.7 -15.3 -31.3 162 181 A E H < S+ 0 0 26 -4,-2.7 4,-0.4 2,-0.2 -2,-0.2 0.911 114.4 42.9 -65.8 -42.3 -34.2 -11.8 -30.0 163 182 A M H ><>S+ 0 0 0 -4,-2.6 5,-2.1 -5,-0.2 3,-2.0 0.963 113.9 51.7 -62.5 -52.6 -31.4 -11.3 -32.5 164 183 A A H ><5S+ 0 0 51 -4,-3.1 3,-2.2 1,-0.3 -2,-0.2 0.897 103.7 56.9 -52.5 -49.0 -33.4 -13.0 -35.3 165 184 A S T 3<5S+ 0 0 96 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.635 110.9 45.0 -59.9 -15.7 -36.5 -10.8 -34.8 166 185 A R T < 5S- 0 0 102 -3,-2.0 -1,-0.3 -4,-0.4 -2,-0.2 0.322 116.2-114.0-106.4 3.0 -34.2 -7.8 -35.4 167 186 A G T < 5S+ 0 0 59 -3,-2.2 4,-0.4 -4,-0.3 -3,-0.2 0.648 89.6 111.0 71.6 18.9 -32.5 -9.3 -38.4 168 187 A L >< + 0 0 40 -5,-2.1 4,-1.5 -6,-0.1 -4,-0.2 0.477 51.6 83.4 -99.1 -4.9 -29.2 -9.4 -36.6 169 188 A W H > S+ 0 0 18 -6,-0.5 4,-3.0 2,-0.2 5,-0.2 0.873 86.3 50.4 -72.6 -41.7 -29.0 -13.2 -36.4 170 189 A D H > S+ 0 0 124 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.960 112.2 48.2 -58.6 -54.6 -27.6 -14.1 -39.8 171 190 A S H > S+ 0 0 70 -4,-0.4 4,-1.8 1,-0.2 -1,-0.2 0.845 114.6 47.2 -52.8 -43.5 -24.8 -11.5 -39.5 172 191 A F H X S+ 0 0 0 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.894 113.3 46.6 -66.9 -44.6 -24.1 -12.9 -36.0 173 192 A R H X S+ 0 0 95 -4,-3.0 4,-0.7 1,-0.2 3,-0.4 0.918 115.4 46.0 -64.5 -43.7 -24.1 -16.6 -37.1 174 193 A Q H >X S+ 0 0 119 -4,-3.2 4,-1.8 1,-0.2 3,-1.2 0.892 101.2 67.9 -65.1 -41.4 -21.9 -15.9 -40.2 175 194 A S H 3X S+ 0 0 39 -4,-1.8 4,-1.3 -5,-0.3 -1,-0.2 0.778 94.5 54.0 -54.8 -36.4 -19.4 -13.8 -38.2 176 195 A E H 3< S+ 0 0 22 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.831 109.8 51.5 -64.3 -32.3 -18.1 -16.8 -36.1 177 196 A R H << S+ 0 0 132 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.882 106.7 52.5 -66.4 -42.6 -17.5 -18.4 -39.6 178 196AA A H < 0 0 74 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.749 360.0 360.0 -67.1 -26.8 -15.6 -15.3 -40.8 179 196BA A < 0 0 115 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.977 360.0 360.0 -71.8 360.0 -13.3 -15.4 -37.7 180 !* 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 0.0 181 1 B M > 0 0 43 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -36.4 -63.5 -3.6 -3.9 182 2 B E H > + 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.906 360.0 47.8 -63.1 -43.2 -60.9 -1.7 -5.9 183 3 B D H > S+ 0 0 131 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.809 109.6 54.7 -66.6 -28.4 -59.4 -0.3 -2.7 184 4 B F H > S+ 0 0 8 2,-0.2 4,-1.5 1,-0.2 3,-0.4 0.947 107.5 48.8 -70.3 -49.1 -59.5 -3.8 -1.2 185 5 B V H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-0.5 0.919 110.2 51.8 -52.6 -48.4 -57.5 -5.2 -4.1 186 6 B R H 3< S+ 0 0 82 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.794 117.0 38.3 -66.3 -29.3 -54.9 -2.4 -3.9 187 7 B Q H 3< S+ 0 0 114 -4,-1.4 -1,-0.2 -3,-0.4 -2,-0.2 0.550 116.4 52.0 -93.9 -11.3 -54.3 -3.0 -0.1 188 8 B C H << S+ 0 0 23 -4,-1.5 2,-0.3 -3,-0.5 -2,-0.2 0.770 107.2 49.3 -95.6 -32.8 -54.6 -6.8 -0.3 189 9 B F S < S- 0 0 9 -4,-2.1 31,-0.0 -5,-0.2 30,-0.0 -0.734 92.5 -98.2-110.2 157.4 -52.1 -7.6 -3.0 190 10 B N >> - 0 0 73 -2,-0.3 4,-2.2 1,-0.1 3,-0.9 -0.495 35.6-112.2 -78.8 146.8 -48.5 -6.3 -3.4 191 11 B P H 3> S+ 0 0 106 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.736 114.8 57.7 -51.4 -32.2 -47.9 -3.3 -5.8 192 12 B M H 3> S+ 0 0 98 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.942 110.9 42.0 -62.9 -47.9 -46.0 -5.4 -8.4 193 13 B I H <> S+ 0 0 3 -3,-0.9 4,-2.8 2,-0.2 5,-0.2 0.911 113.7 52.6 -63.3 -45.5 -49.0 -7.8 -8.8 194 14 B V H X S+ 0 0 11 -4,-2.2 4,-2.7 1,-0.2 -2,-0.2 0.952 110.3 48.7 -55.2 -49.9 -51.5 -4.9 -8.8 195 15 B E H X S+ 0 0 134 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.907 112.4 48.0 -55.2 -47.8 -49.5 -3.2 -11.5 196 16 B L H X S+ 0 0 40 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.826 110.7 50.8 -66.7 -34.0 -49.3 -6.5 -13.6 197 17 B A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 -2,-0.2 0.946 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