==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-AUG-07 2VA2 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.IRIMIA,P.S.PALLAN,M.EGLI . 685 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 508 74.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 17.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 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 . 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 . 46 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 82 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 32.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.5 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 4 1 0 3 2 2 1 4 0 0 0 1 1 0 4 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 0 PARALLEL BRIDGES PER LADDER . 4 0 1 2 3 2 2 2 1 1 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 4 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 1 A M 0 0 107 0, 0.0 2,-0.5 0, 0.0 110,-0.0 0.000 360.0 360.0 360.0 119.7 -15.0 17.9 22.9 2 2 A I - 0 0 15 113,-0.1 109,-0.9 2,-0.0 2,-0.3 -0.893 360.0-166.5-123.8 101.2 -12.6 15.2 21.6 3 3 A V E -AB 110 145A 0 142,-1.9 142,-1.8 -2,-0.5 2,-0.5 -0.634 7.4-158.7 -89.0 141.5 -12.9 14.4 17.9 4 4 A L E -AB 109 144A 0 105,-2.8 105,-2.7 -2,-0.3 2,-0.4 -0.944 11.6-161.0-123.0 108.6 -11.3 11.3 16.3 5 5 A F E -AB 108 143A 0 138,-2.0 138,-1.9 -2,-0.5 2,-0.4 -0.716 3.0-164.1 -92.7 135.8 -10.9 11.6 12.5 6 6 A V E +AB 107 142A 0 101,-2.8 101,-2.0 -2,-0.4 2,-0.3 -0.964 10.9 173.3-121.9 138.2 -10.4 8.6 10.3 7 7 A D E -AB 106 141A 14 134,-1.6 134,-0.8 -2,-0.4 99,-0.2 -0.860 25.8-135.3-147.8 107.4 -9.2 8.7 6.8 8 8 A F E - B 0 140A 1 97,-1.6 3,-0.5 -2,-0.3 2,-0.4 -0.222 32.9-108.3 -60.2 148.7 -8.3 5.6 4.7 9 9 A D S S- 0 0 0 130,-1.8 5,-0.3 1,-0.2 130,-0.1 -0.701 82.0 -31.4 -88.6 130.0 -5.0 5.8 2.8 10 10 A Y S >> S- 0 0 42 -2,-0.4 4,-2.3 1,-0.1 3,-0.8 0.814 82.3-166.9 28.2 50.7 -5.3 6.2 -1.1 11 11 A F H 3> S+ 0 0 1 -3,-0.5 4,-2.8 1,-0.3 5,-0.2 0.730 72.7 47.9 -31.8 -56.5 -8.4 4.0 -0.6 12 12 A Y H 3> S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.938 116.4 42.3 -60.7 -47.6 -9.1 3.1 -4.2 13 13 A A H <> S+ 0 0 0 -3,-0.8 4,-1.1 1,-0.2 -1,-0.2 0.853 115.6 50.9 -66.8 -34.6 -5.5 2.0 -5.0 14 14 A Q H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.3 3,-0.2 0.891 106.5 53.2 -71.0 -39.9 -5.2 0.2 -1.6 15 15 A V H X S+ 0 0 1 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.2 0.882 106.4 54.2 -63.0 -34.6 -8.4 -1.7 -2.1 16 16 A E H X S+ 0 0 7 -4,-1.6 4,-1.1 -5,-0.2 -1,-0.3 0.840 109.2 49.8 -66.5 -30.6 -7.0 -2.9 -5.4 17 17 A E H < S+ 0 0 4 -4,-1.1 6,-0.3 -3,-0.2 7,-0.2 0.921 106.6 52.3 -72.5 -45.3 -4.0 -4.1 -3.5 18 18 A V H < S+ 0 0 42 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.845 114.6 43.8 -60.8 -32.5 -5.9 -5.9 -0.9 19 19 A L H < S+ 0 0 89 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.742 131.1 25.2 -83.8 -22.1 -7.8 -7.7 -3.7 20 20 A N >< - 0 0 70 -4,-1.1 3,-2.5 -5,-0.2 -1,-0.3 -0.617 68.3-179.7-143.2 76.4 -4.5 -8.2 -5.6 21 21 A P G > S+ 0 0 85 0, 0.0 3,-2.6 0, 0.0 -3,-0.1 0.705 74.2 78.8 -50.2 -25.9 -1.6 -8.2 -3.2 22 22 A S G 3 S+ 0 0 74 1,-0.3 4,-0.2 -5,-0.1 -5,-0.1 0.705 86.4 63.6 -59.5 -15.5 0.9 -8.8 -6.1 23 23 A L G X S+ 0 0 8 -3,-2.5 3,-1.3 -6,-0.3 -1,-0.3 0.642 75.7 114.9 -81.2 -16.8 0.4 -5.1 -6.6 24 24 A K T < S+ 0 0 110 -3,-2.6 -10,-0.0 1,-0.2 0, 0.0 -0.318 82.9 15.4 -57.4 129.1 1.9 -4.3 -3.2 25 25 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.2 -2,-0.0 -2,-0.1 -0.105 105.4 97.6 98.3 -37.8 5.1 -2.4 -3.7 26 26 A K S < S- 0 0 100 -3,-1.3 -1,-0.3 -4,-0.2 2,-0.2 -0.617 87.8-101.1 -85.3 142.3 4.5 -1.4 -7.3 27 27 A P - 0 0 30 0, 0.0 45,-2.1 0, 0.0 2,-0.4 -0.474 41.2-158.3 -65.9 129.2 3.1 2.0 -8.0 28 28 A V E -e 72 0B 0 -2,-0.2 19,-1.7 43,-0.2 2,-0.6 -0.940 9.8-167.6-115.2 132.1 -0.7 1.7 -8.7 29 29 A V E -eF 73 46B 0 43,-3.0 45,-1.8 -2,-0.4 2,-0.6 -0.911 3.5-164.0-122.7 105.2 -2.8 4.2 -10.6 30 30 A V E +eF 74 45B 0 15,-3.1 15,-2.4 -2,-0.6 14,-1.9 -0.759 26.6 170.4 -87.7 122.0 -6.5 4.0 -10.5 31 31 A C E -eF 75 43B 0 43,-2.5 45,-2.0 -2,-0.6 2,-0.6 -0.835 39.5-121.0-133.2 169.9 -8.0 6.1 -13.3 32 32 A V E - F 0 42B 66 10,-3.3 10,-1.7 -2,-0.3 2,-0.8 -0.926 25.8-150.4-110.1 106.1 -11.1 7.0 -15.2 33 33 A F - 0 0 75 -2,-0.6 8,-0.3 8,-0.2 7,-0.1 -0.697 2.3-159.8 -81.1 113.1 -10.7 6.3 -18.9 34 34 A S - 0 0 24 -2,-0.8 7,-0.2 6,-0.4 -1,-0.2 0.642 24.4-135.5 -66.0 -17.7 -12.9 8.8 -20.8 35 35 A G S S+ 0 0 38 5,-0.6 3,-0.2 3,-0.3 -1,-0.1 0.564 74.3 111.5 73.9 5.5 -13.0 6.6 -23.9 36 36 A R S S+ 0 0 58 1,-0.3 2,-0.4 215,-0.1 3,-0.1 0.980 91.1 3.6 -73.9 -59.4 -12.4 9.6 -26.2 37 37 A F S > S- 0 0 127 1,-0.1 3,-1.6 0, 0.0 -1,-0.3 -0.937 100.4 -88.7-133.2 110.6 -8.9 8.6 -27.4 38 38 A E T 3 S+ 0 0 173 -2,-0.4 -3,-0.3 1,-0.3 -1,-0.1 0.057 123.7 21.1 29.8 -93.5 -7.3 5.3 -26.2 39 39 A D T 3 S+ 0 0 32 -5,-0.1 23,-0.5 -4,-0.1 -1,-0.3 -0.060 93.9 137.8 -88.5 29.2 -5.6 6.4 -23.0 40 40 A S < + 0 0 2 -3,-1.6 -5,-0.6 21,-0.1 -6,-0.4 -0.373 34.1 67.5 -71.6 157.2 -7.8 9.5 -22.6 41 41 A G S S- 0 0 24 -8,-0.3 20,-1.5 -7,-0.2 21,-0.3 -0.730 72.5 -78.3 128.3-175.2 -9.1 10.2 -19.1 42 42 A A E -FG 32 60B 41 -10,-1.7 -10,-3.3 -2,-0.2 2,-0.6 -0.811 35.3-104.0-128.0 165.7 -8.0 11.3 -15.7 43 43 A V E -F 31 0B 3 16,-1.9 15,-2.9 -2,-0.3 -12,-0.3 -0.796 26.3-176.1 -92.2 122.8 -6.3 9.8 -12.6 44 44 A A E - 0 0 24 -14,-1.9 2,-0.3 -2,-0.6 -13,-0.2 0.923 65.2 -26.1 -82.8 -49.4 -8.7 9.1 -9.8 45 45 A T E -F 30 0B 24 -15,-2.4 -15,-3.1 11,-0.1 -1,-0.3 -0.985 53.1-167.8-161.6 159.7 -6.1 7.9 -7.2 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.3 11,-0.1 -0.984 28.6-107.8-150.0 153.0 -2.7 6.3 -6.9 47 47 A N >> - 0 0 4 -19,-1.7 4,-1.8 -2,-0.3 3,-1.5 -0.209 43.6 -98.0 -73.4 175.3 -0.7 4.7 -4.0 48 48 A Y H 3> S+ 0 0 56 1,-0.3 4,-2.9 2,-0.2 5,-0.2 0.814 118.9 73.3 -66.5 -29.3 2.3 6.5 -2.6 49 49 A E H 34 S+ 0 0 67 1,-0.2 -1,-0.3 2,-0.2 4,-0.1 0.762 111.8 30.7 -53.9 -25.1 4.7 4.4 -4.7 50 50 A A H X4>S+ 0 0 0 -3,-1.5 5,-1.8 -22,-0.2 3,-1.1 0.716 111.9 63.3-102.5 -32.3 3.3 6.6 -7.6 51 51 A R H ><5S+ 0 0 86 -4,-1.8 3,-2.4 1,-0.3 -2,-0.2 0.892 92.4 67.0 -58.3 -42.4 2.7 9.8 -5.6 52 52 A K T 3<5S+ 0 0 134 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.1 0.789 104.3 44.5 -50.2 -31.4 6.4 10.0 -4.9 53 53 A F T < 5S- 0 0 120 -3,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.270 126.1 -93.7-101.1 11.6 7.0 10.7 -8.6 54 54 A G T < 5S+ 0 0 40 -3,-2.4 2,-1.0 1,-0.2 -3,-0.2 0.380 78.8 137.1 97.5 -6.0 4.2 13.2 -9.2 55 55 A V < + 0 0 0 -5,-1.8 2,-0.3 -7,-0.1 -1,-0.2 -0.675 33.6 151.9 -78.9 103.4 1.5 10.8 -10.4 56 56 A K > - 0 0 129 -2,-1.0 3,-1.5 -3,-0.1 -13,-0.3 -0.840 50.3 -70.9-132.7 169.0 -1.5 12.2 -8.6 57 57 A A T 3 S+ 0 0 58 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.301 113.2 29.7 -59.9 135.3 -5.3 12.5 -8.8 58 58 A G T 3 S+ 0 0 61 -15,-2.9 -1,-0.2 1,-0.4 -14,-0.1 -0.022 89.3 114.3 105.7 -29.7 -6.5 14.9 -11.4 59 59 A I S < S- 0 0 14 -3,-1.5 -16,-1.9 1,-0.1 -1,-0.4 -0.331 75.8 -92.6 -76.0 158.5 -3.6 14.6 -13.9 60 60 A P B > -G 42 0B 63 0, 0.0 4,-2.4 0, 0.0 -18,-0.2 -0.453 25.7-128.5 -70.4 139.9 -4.1 13.1 -17.4 61 61 A I H > S+ 0 0 0 -20,-1.5 4,-2.2 1,-0.2 5,-0.2 0.925 110.9 55.8 -52.6 -47.4 -3.5 9.4 -17.8 62 62 A V H > S+ 0 0 62 -23,-0.5 4,-1.2 -21,-0.3 -1,-0.2 0.920 107.7 48.4 -49.7 -50.8 -1.2 10.1 -20.7 63 63 A E H >> S+ 0 0 92 1,-0.2 4,-1.1 2,-0.2 3,-0.8 0.917 109.5 52.8 -55.9 -47.7 0.9 12.4 -18.5 64 64 A A H 3X S+ 0 0 0 -4,-2.4 4,-2.9 1,-0.3 -1,-0.2 0.838 106.9 52.9 -60.4 -33.0 1.0 9.7 -15.8 65 65 A K H 3< S+ 0 0 65 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.756 104.8 54.7 -77.3 -19.8 2.2 7.2 -18.4 66 66 A K H << S+ 0 0 171 -4,-1.2 -1,-0.2 -3,-0.8 -2,-0.2 0.693 116.6 38.1 -82.1 -20.5 5.1 9.6 -19.4 67 67 A I H < S+ 0 0 68 -4,-1.1 -2,-0.2 -3,-0.2 -3,-0.2 0.881 136.4 17.4 -92.7 -51.4 6.2 9.7 -15.8 68 68 A L >< + 0 0 21 -4,-2.9 3,-1.4 -5,-0.2 -2,-0.2 -0.626 69.2 165.3-124.0 71.4 5.5 6.1 -14.7 69 69 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.716 81.0 44.7 -58.2 -24.0 5.2 4.2 -18.1 70 70 A N T 3 S+ 0 0 156 -3,-0.1 -5,-0.1 2,-0.1 3,-0.1 0.468 86.9 112.7-102.8 -1.9 5.6 0.9 -16.2 71 71 A A S < S- 0 0 11 -3,-1.4 2,-0.5 -7,-0.2 -43,-0.2 -0.253 77.6 -98.7 -66.0 158.1 3.2 1.6 -13.3 72 72 A V E -e 28 0B 38 -45,-2.1 -43,-3.0 -49,-0.1 2,-0.5 -0.703 34.5-158.5 -86.2 127.3 0.1 -0.5 -13.1 73 73 A Y E -e 29 0B 36 -2,-0.5 -43,-0.2 -45,-0.2 -45,-0.0 -0.924 12.6-179.9-109.9 119.1 -3.0 1.2 -14.5 74 74 A L E -e 30 0B 35 -45,-1.8 -43,-2.5 -2,-0.5 2,-0.2 -0.917 29.1-116.9-119.3 142.8 -6.5 -0.0 -13.3 75 75 A P E -e 31 0B 75 0, 0.0 -43,-0.2 0, 0.0 2,-0.1 -0.516 45.3 -95.9 -75.6 144.6 -9.9 1.2 -14.3 76 76 A M - 0 0 60 -45,-2.0 2,-0.2 -2,-0.2 3,-0.1 -0.390 33.7-168.4 -64.5 134.3 -11.9 2.6 -11.4 77 77 A R >> + 0 0 105 1,-0.2 4,-1.7 -2,-0.1 3,-1.2 -0.543 12.3 171.7-120.9 64.0 -14.3 0.1 -9.8 78 78 A K H 3> S+ 0 0 103 1,-0.3 4,-3.0 -2,-0.2 5,-0.2 0.816 72.5 61.1 -38.5 -47.6 -16.4 2.4 -7.5 79 79 A E H 3> S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.886 106.7 44.7 -53.3 -46.3 -18.8 -0.4 -6.6 80 80 A V H <> S+ 0 0 42 -3,-1.2 4,-2.2 2,-0.2 3,-0.4 0.965 113.4 49.2 -63.8 -52.3 -16.1 -2.5 -5.0 81 81 A Y H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.905 108.5 56.5 -53.9 -41.6 -14.6 0.4 -3.1 82 82 A Q H X S+ 0 0 87 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.887 107.0 46.5 -59.1 -43.2 -18.0 1.3 -1.9 83 83 A Q H X S+ 0 0 124 -4,-1.7 4,-2.3 -3,-0.4 -1,-0.2 0.911 111.4 50.7 -69.2 -40.2 -18.7 -2.1 -0.3 84 84 A V H X S+ 0 0 5 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.933 111.3 51.0 -60.6 -43.8 -15.3 -2.3 1.4 85 85 A S H X S+ 0 0 3 -4,-2.5 4,-3.8 -5,-0.3 5,-0.3 0.950 106.4 52.9 -57.3 -52.5 -16.0 1.2 2.7 86 86 A S H X S+ 0 0 51 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.928 108.6 50.7 -49.8 -49.7 -19.4 0.2 4.1 87 87 A R H X S+ 0 0 104 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.923 114.2 44.0 -57.2 -45.6 -17.9 -2.7 5.9 88 88 A I H >X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-1.4 0.967 108.2 57.0 -65.2 -49.7 -15.3 -0.5 7.5 89 89 A M H 3X S+ 0 0 5 -4,-3.8 4,-1.8 1,-0.3 -1,-0.2 0.833 104.5 55.0 -50.5 -32.9 -17.7 2.3 8.3 90 90 A N H 3X S+ 0 0 84 -4,-1.9 4,-0.8 -5,-0.3 -1,-0.3 0.850 103.3 54.4 -69.5 -33.9 -19.7 -0.3 10.3 91 91 A L H X< S+ 0 0 21 -3,-1.4 3,-1.4 -4,-1.2 -2,-0.2 0.950 108.4 48.7 -63.1 -47.5 -16.6 -1.1 12.3 92 92 A L H >< S+ 0 0 0 -4,-1.9 3,-3.1 1,-0.3 4,-0.4 0.880 98.3 69.3 -57.8 -40.0 -16.2 2.5 13.3 93 93 A R H >< S+ 0 0 110 -4,-1.8 3,-1.1 1,-0.3 -1,-0.3 0.814 90.9 62.8 -48.6 -33.0 -19.9 2.6 14.2 94 94 A E T << S+ 0 0 134 -3,-1.4 -1,-0.3 -4,-0.8 -2,-0.2 0.377 97.7 56.6 -77.2 4.7 -18.9 0.4 17.1 95 95 A Y T < S- 0 0 34 -3,-3.1 -1,-0.2 1,-0.4 2,-0.2 0.384 122.4 -3.5-115.2 1.1 -16.7 3.0 18.6 96 96 A S < - 0 0 8 -3,-1.1 -1,-0.4 -4,-0.4 15,-0.1 -0.621 47.1-143.5 170.8 127.2 -19.3 5.8 18.9 97 97 A E S S+ 0 0 184 1,-0.2 2,-1.4 -2,-0.2 -1,-0.1 0.766 95.3 77.7 -70.2 -23.0 -22.9 6.4 18.0 98 98 A K + 0 0 100 12,-0.2 12,-1.8 -3,-0.1 2,-0.4 -0.675 68.2 142.2 -88.5 86.6 -21.9 10.0 17.2 99 99 A I E -C 109 0A 9 -2,-1.4 2,-0.6 10,-0.2 10,-0.2 -0.991 37.0-158.1-133.8 135.5 -20.2 9.4 13.8 100 100 A E E -C 108 0A 3 8,-2.5 8,-2.1 -2,-0.4 2,-1.0 -0.916 8.4-152.6-117.6 109.5 -20.2 11.5 10.7 101 101 A I E +C 107 0A 48 -2,-0.6 6,-0.3 6,-0.2 3,-0.1 -0.687 17.4 176.7 -80.1 106.1 -19.5 9.8 7.4 102 102 A A E - 0 0 23 4,-1.1 2,-0.3 -2,-1.0 -1,-0.2 0.727 62.1 -22.9 -82.1 -25.5 -18.0 12.7 5.3 103 103 A S E > S-C 106 0A 44 3,-1.5 3,-1.5 1,-0.0 -1,-0.2 -0.962 84.5 -67.2-170.5 178.2 -17.2 10.5 2.3 104 104 A I T 3 S+ 0 0 30 -2,-0.3 -15,-0.1 1,-0.3 3,-0.0 0.704 134.0 22.5 -54.5 -23.1 -16.5 7.0 1.1 105 105 A D T 3 S+ 0 0 32 -97,-0.1 -97,-1.6 -17,-0.0 2,-0.4 0.147 111.3 79.6-132.7 20.8 -13.3 7.0 3.0 106 106 A E E < +AC 7 103A 38 -3,-1.5 -3,-1.5 -99,-0.2 -4,-1.1 -0.994 44.1 168.1-135.8 140.2 -13.7 9.6 5.7 107 107 A A E -AC 6 101A 0 -101,-2.0 -101,-2.8 -2,-0.4 2,-0.5 -0.998 21.6-146.1-149.0 144.3 -15.4 9.6 9.1 108 108 A Y E -AC 5 100A 19 -8,-2.1 -8,-2.5 -2,-0.3 2,-0.4 -0.953 15.6-161.9-114.0 123.8 -15.5 11.9 12.2 109 109 A L E -AC 4 99A 0 -105,-2.7 -105,-2.8 -2,-0.5 2,-0.6 -0.827 11.7-154.1-104.5 143.8 -15.9 10.3 15.6 110 110 A D E > +A 3 0A 15 -12,-1.8 3,-0.6 -2,-0.4 -12,-0.2 -0.680 24.8 165.0-113.9 74.7 -17.1 12.3 18.7 111 111 A I G >> + 0 0 0 -109,-0.9 4,-2.3 -2,-0.6 3,-1.2 0.175 33.9 120.9 -78.3 21.2 -15.5 10.2 21.4 112 112 A S G 34 S+ 0 0 33 1,-0.3 -1,-0.2 2,-0.2 3,-0.1 0.887 85.1 34.6 -50.7 -45.1 -16.0 12.9 24.0 113 113 A D G <4 S+ 0 0 135 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.485 115.9 61.0 -88.7 -2.8 -18.1 10.6 26.2 114 114 A K T <4 S+ 0 0 135 -3,-1.2 2,-0.3 -112,-0.2 -2,-0.2 0.743 112.8 19.9 -93.8 -27.2 -15.9 7.7 25.1 115 115 A V < - 0 0 17 -4,-2.3 -1,-0.1 -113,-0.1 -113,-0.1 -0.901 55.6-154.1-139.1 167.8 -12.6 8.9 26.4 116 116 A R S S+ 0 0 148 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.0 0.709 76.8 15.2-119.2 -25.3 -11.2 11.4 29.0 117 117 A D S S- 0 0 70 -115,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.827 85.7-105.0-116.8 -58.1 -7.7 12.7 28.3 118 118 A Y S > S+ 0 0 37 -116,-0.0 4,-2.0 49,-0.0 5,-0.1 -0.063 104.4 87.4 144.4 -19.2 -6.1 12.2 24.8 119 119 A R H > S+ 0 0 156 1,-0.2 4,-1.5 2,-0.2 -4,-0.0 0.867 101.3 32.0 -71.3 -36.4 -3.8 9.4 26.0 120 120 A E H > S+ 0 0 36 2,-0.2 4,-6.7 3,-0.2 5,-0.2 0.643 110.2 65.2 -87.6 -34.9 -6.6 6.9 25.3 121 121 A A H > S+ 0 0 0 2,-0.2 4,-3.4 3,-0.2 5,-0.2 0.948 109.3 42.4 -48.1 -48.9 -7.9 8.9 22.4 122 122 A Y H X S+ 0 0 100 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.958 119.1 43.3 -60.5 -50.5 -4.5 8.0 21.0 123 123 A N H X S+ 0 0 69 -4,-1.5 4,-2.1 2,-0.2 -2,-0.2 0.935 113.4 51.6 -61.2 -45.8 -4.9 4.5 22.3 124 124 A L H X S+ 0 0 12 -4,-6.7 4,-2.3 1,-0.3 3,-0.3 0.941 110.1 49.3 -54.3 -52.0 -8.5 4.3 21.1 125 125 A G H X S+ 0 0 0 -4,-3.4 4,-2.1 1,-0.2 -1,-0.3 0.822 107.0 57.2 -57.6 -32.4 -7.4 5.4 17.7 126 126 A L H X S+ 0 0 50 -4,-1.8 4,-2.7 -5,-0.2 -1,-0.2 0.911 106.4 48.2 -65.5 -41.0 -4.7 2.7 17.9 127 127 A E H X S+ 0 0 97 -4,-2.1 4,-1.4 -3,-0.3 -2,-0.2 0.908 109.2 53.2 -65.0 -42.9 -7.4 0.1 18.4 128 128 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 5,-0.3 0.906 111.6 46.6 -59.6 -41.2 -9.4 1.5 15.5 129 129 A K H X S+ 0 0 20 -4,-2.1 4,-2.2 1,-0.2 5,-0.3 0.949 114.2 45.0 -66.8 -48.1 -6.3 1.1 13.3 130 130 A N H X S+ 0 0 98 -4,-2.7 4,-1.1 1,-0.2 -1,-0.2 0.672 114.7 53.2 -70.7 -12.7 -5.5 -2.4 14.5 131 131 A K H X S+ 0 0 54 -4,-1.4 4,-2.6 -5,-0.2 5,-0.3 0.943 110.3 42.0 -82.6 -57.4 -9.1 -3.2 14.1 132 132 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 6,-1.0 0.864 119.4 47.0 -56.8 -39.4 -9.6 -2.0 10.5 133 133 A L H X S+ 0 0 73 -4,-2.2 4,-1.6 -5,-0.3 -1,-0.2 0.921 111.3 50.8 -70.2 -45.4 -6.3 -3.6 9.6 134 134 A E H < S+ 0 0 138 -4,-1.1 -2,-0.2 -5,-0.3 -1,-0.2 0.856 122.8 30.8 -61.3 -35.9 -7.1 -6.8 11.4 135 135 A K H < S+ 0 0 110 -4,-2.6 -2,-0.2 3,-0.1 -1,-0.2 0.808 137.4 16.1 -96.4 -32.6 -10.5 -7.1 9.6 136 136 A E H < S- 0 0 41 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.385 89.1-124.4-122.6 2.8 -10.0 -5.5 6.2 137 137 A K < + 0 0 157 -4,-1.6 2,-0.5 -5,-0.4 -4,-0.2 0.818 67.1 137.4 54.8 33.0 -6.3 -5.3 5.8 138 138 A I - 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0 0 14 -22,-0.2 -20,-1.4 -7,-0.1 2,-0.2 -0.420 50.6-155.0-121.1-164.0 -0.3 7.4 10.9 163 163 A I E +d 142 0A 32 -22,-0.2 2,-0.3 -2,-0.1 -20,-0.2 -0.599 16.9 178.2-178.0 110.5 -2.0 8.9 13.9 164 164 A K E -d 143 0A 78 -22,-2.0 -20,-2.5 -2,-0.2 2,-0.3 -0.922 12.0-156.0-125.0 148.3 -1.5 12.4 15.3 165 165 A V E -d 144 0A 30 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.797 8.4-146.5-115.6 159.9 -3.0 14.3 18.2 166 166 A I - 0 0 0 -22,-0.7 -20,-0.3 -2,-0.3 -12,-0.1 -0.820 12.6-150.5-133.7 95.6 -3.1 18.1 18.6 167 167 A D > - 0 0 85 -2,-0.4 4,-2.6 1,-0.2 5,-0.3 -0.277 34.0-109.4 -59.1 146.1 -2.9 19.3 22.2 168 168 A D H > S+ 0 0 71 1,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.802 124.0 62.5 -47.3 -26.9 -4.7 22.6 22.9 169 169 A E H >> S+ 0 0 127 2,-0.2 4,-1.5 1,-0.2 3,-1.2 0.990 105.3 39.0 -61.5 -63.8 -1.1 23.7 23.1 170 170 A E H 3> S+ 0 0 41 1,-0.3 4,-3.5 2,-0.2 5,-0.3 0.789 107.1 66.1 -59.6 -28.3 -0.2 22.9 19.5 171 171 A V H 3X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.2 -1,-0.3 0.906 103.4 48.2 -58.1 -37.9 -3.6 24.1 18.5 172 172 A K H << S+ 0 0 93 -4,-1.3 4,-0.3 -3,-1.2 -2,-0.2 0.914 112.6 46.6 -67.1 -46.0 -2.3 27.5 19.7 173 173 A R H >X S+ 0 0 114 -4,-1.5 4,-2.8 1,-0.2 3,-2.3 0.955 111.0 51.0 -62.4 -52.1 1.0 27.1 17.7 174 174 A L H 3X S+ 0 0 6 -4,-3.5 4,-1.2 1,-0.3 28,-0.4 0.846 100.5 62.2 -56.3 -37.0 -0.8 25.9 14.5 175 175 A I H 3< S+ 0 0 10 -4,-1.7 28,-2.4 -5,-0.3 -1,-0.3 0.688 118.6 31.2 -62.9 -13.3 -3.1 28.9 14.6 176 176 A R H <4 S+ 0 0 137 -3,-2.3 -2,-0.3 -4,-0.3 -1,-0.2 0.733 127.3 34.6-113.0 -34.9 0.2 30.9 14.3 177 177 A E H < S+ 0 0 116 -4,-2.8 2,-0.5 -5,-0.1 -3,-0.2 0.100 92.4 98.0-112.8 23.6 2.6 28.7 12.2 178 178 A L S < S- 0 0 8 -4,-1.2 24,-1.2 -5,-0.2 2,-0.3 -0.945 76.9-117.9-115.4 128.7 0.2 27.0 9.8 179 179 A D B > -H 201 0C 68 -2,-0.5 3,-3.2 22,-0.2 22,-0.3 -0.473 21.7-132.7 -63.9 120.2 -0.3 28.2 6.2 180 180 A I G > S+ 0 0 5 20,-1.2 3,-1.1 -2,-0.3 -1,-0.2 0.671 105.1 70.9 -49.1 -15.8 -3.9 29.1 6.0 181 181 A A G 3 S+ 0 0 53 19,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.380 89.5 59.1 -83.3 4.6 -3.8 27.2 2.8 182 182 A D G < S+ 0 0 87 -3,-3.2 -1,-0.2 2,-0.1 -2,-0.2 0.252 85.3 106.0-110.7 7.7 -3.5 24.0 4.7 183 183 A V S X S- 0 0 2 -3,-1.1 3,-1.9 -4,-0.2 -33,-0.1 -0.787 83.9-104.0 -93.7 122.0 -6.7 24.8 6.4 184 184 A P T 3 S+ 0 0 26 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.048 104.2 22.5 -42.3 135.3 -9.8 22.7 5.3 185 185 A G T 3 S+ 0 0 53 1,-0.2 2,-0.8 -4,-0.1 -4,-0.0 0.364 91.9 112.1 87.3 -5.0 -12.1 24.6 3.0 186 186 A I < - 0 0 14 -3,-1.9 2,-0.2 -6,-0.1 -1,-0.2 -0.872 47.0-179.9-105.2 104.3 -9.5 27.1 1.8 187 187 A G >> - 0 0 41 -2,-0.8 4,-3.6 -3,-0.1 3,-2.6 -0.553 46.1 -86.4-101.8 168.2 -8.8 26.4 -1.9 188 188 A N H 3> S+ 0 0 144 1,-0.3 4,-2.4 2,-0.2 5,-0.5 0.809 126.8 55.2 -36.2 -48.0 -6.5 28.1 -4.4 189 189 A I H 3> S+ 0 0 133 1,-0.2 4,-0.7 2,-0.2 -1,-0.3 0.793 120.1 31.6 -61.4 -30.0 -9.2 30.6 -5.3 190 190 A T H <> S+ 0 0 19 -3,-2.6 4,-1.7 2,-0.1 -2,-0.2 0.712 114.0 63.2 -96.8 -27.6 -9.4 31.6 -1.6 191 191 A A H >X S+ 0 0 17 -4,-3.6 4,-2.5 2,-0.2 3,-0.6 0.993 113.3 32.7 -58.9 -62.9 -5.8 30.9 -0.9 192 192 A E H 3X S+ 0 0 103 -4,-2.4 4,-2.6 1,-0.3 5,-0.3 0.955 114.2 59.7 -57.8 -54.1 -4.5 33.5 -3.2 193 193 A K H 3< S+ 0 0 74 -4,-0.7 4,-0.4 -5,-0.5 -1,-0.3 0.810 111.4 43.5 -44.6 -34.1 -7.4 35.8 -2.6 194 194 A L H X<>S+ 0 0 0 -4,-1.7 3,-2.7 -3,-0.6 5,-1.1 0.951 107.0 57.7 -77.0 -52.9 -6.3 35.8 1.0 195 195 A K H ><5S+ 0 0 107 -4,-2.5 3,-3.5 1,-0.3 -2,-0.2 0.844 97.0 63.2 -44.5 -42.9 -2.6 36.2 0.3 196 196 A K T 3<5S+ 0 0 168 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.862 102.4 51.4 -53.0 -32.0 -3.4 39.4 -1.5 197 197 A L T < 5S- 0 0 45 -3,-2.7 -1,-0.3 -4,-0.4 -2,-0.2 0.386 122.8-113.2 -85.1 3.4 -4.6 40.5 1.9 198 198 A G T < 5 + 0 0 44 -3,-3.5 2,-0.4 1,-0.2 -3,-0.2 0.316 69.4 142.5 83.5 -9.0 -1.2 39.4 3.3 199 199 A I < + 0 0 5 -5,-1.1 -1,-0.2 1,-0.2 -2,-0.1 -0.529 5.8 149.6 -71.8 120.5 -2.7 36.5 5.4 200 200 A N + 0 0 87 -2,-0.4 -20,-1.2 1,-0.2 -19,-0.3 0.495 63.3 47.4-123.5 -16.4 -0.4 33.5 5.4 201 201 A K B > S-H 179 0C 66 -22,-0.3 3,-1.5 -21,-0.1 4,-0.3 -0.963 85.5-114.9-131.0 147.1 -1.2 32.1 8.8 202 202 A L G > S+ 0 0 0 -24,-1.2 3,-1.4 -28,-0.4 4,-0.2 0.848 113.7 54.3 -47.0 -44.9 -4.6 31.4 10.4 203 203 A V G > S+ 0 0 38 -28,-2.4 3,-2.1 1,-0.3 4,-0.4 0.771 87.6 79.1 -65.0 -26.2 -4.0 34.0 13.2 204 204 A D G X> S+ 0 0 55 -3,-1.5 4,-0.8 1,-0.3 3,-0.5 0.645 82.6 68.5 -57.8 -12.4 -3.4 36.8 10.7 205 205 A T G <4 S+ 0 0 4 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.796 82.6 70.7 -76.6 -29.1 -7.1 37.0 10.3 206 206 A L G <4 S+ 0 0 81 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.2 0.738 99.7 50.6 -59.8 -23.8 -7.6 38.3 13.8 207 207 A S T <4 S+ 0 0 98 -3,-0.5 -2,-0.2 -4,-0.4 -1,-0.1 0.982 85.9 83.9 -76.0 -79.2 -6.0 41.6 12.6 208 208 A I S < S- 0 0 52 -4,-0.8 5,-0.1 -11,-0.1 2,-0.0 0.207 89.9-103.9 -26.7 136.0 -7.8 42.7 9.4 209 209 A E >> - 0 0 128 1,-0.1 4,-0.9 2,-0.1 3,-0.8 -0.424 35.6-116.8 -67.5 148.7 -11.1 44.6 10.1 210 210 A F H >> S+ 0 0 82 1,-0.2 3,-3.2 2,-0.2 4,-1.3 0.962 105.8 55.2 -52.0 -75.9 -14.1 42.3 9.4 211 211 A D H 34 S+ 0 0 116 1,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.651 105.6 59.1 -36.8 -20.5 -16.0 43.9 6.5 212 212 A K H <4 S+ 0 0 131 -3,-0.8 3,-0.5 2,-0.1 4,-0.5 0.859 111.6 39.0 -78.9 -35.6 -12.7 43.7 4.6 213 213 A L H XX S+ 0 0 2 -3,-3.2 3,-2.2 -4,-0.9 4,-1.7 0.977 115.0 48.5 -76.0 -60.3 -12.6 40.0 5.0 214 214 A K T 3< S+ 0 0 59 -4,-1.3 5,-0.4 1,-0.3 -1,-0.2 0.199 110.2 62.1 -67.6 24.5 -16.3 39.1 4.6 215 215 A G T 34 S+ 0 0 61 -3,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.568 111.7 28.1-120.6 -23.4 -15.9 41.3 1.6 216 216 A M T <4 S+ 0 0 81 -3,-2.2 -2,-0.2 -4,-0.5 -3,-0.1 0.447 136.0 25.7-119.1 -4.3 -13.3 39.4 -0.4 217 217 A I S < S- 0 0 18 -4,-1.7 4,-0.4 -5,-0.1 5,-0.2 0.180 114.2-102.2-140.5 13.2 -14.0 35.8 0.7 218 218 A G > - 0 0 37 -5,-0.4 4,-2.5 3,-0.2 -3,-0.2 0.347 31.0 -87.1 77.4 149.5 -17.6 36.1 1.8 219 219 A E H > S+ 0 0 91 -5,-0.4 4,-2.8 2,-0.2 5,-0.2 0.948 121.2 50.1 -53.0 -60.4 -19.3 36.4 5.2 220 220 A A H > S+ 0 0 75 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.928 115.9 39.8 -46.0 -62.9 -19.6 32.7 5.9 221 221 A K H > S+ 0 0 69 -4,-0.4 4,-2.6 1,-0.2 5,-0.3 0.900 111.4 59.8 -58.1 -42.1 -16.0 31.8 5.1 222 222 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.959 111.0 40.5 -50.5 -56.6 -14.8 35.0 6.8 223 223 A K H X>S+ 0 0 89 -4,-2.8 4,-2.5 1,-0.2 5,-0.5 0.969 109.5 59.7 -57.3 -56.1 -16.3 33.8 10.0 224 224 A Y H X5S+ 0 0 44 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.885 109.6 42.1 -38.1 -58.0 -15.3 30.2 9.6 225 225 A L H X5S+ 0 0 0 -4,-2.6 4,-2.6 2,-0.2 -1,-0.3 0.888 116.7 49.9 -59.3 -41.8 -11.6 31.2 9.5 226 226 A I H X5S+ 0 0 23 -4,-2.0 4,-3.6 -5,-0.3 5,-0.2 0.992 109.6 47.1 -60.5 -65.1 -12.0 33.7 12.4 227 227 A S H <>S+ 0 0 29 -4,-2.5 5,-3.3 1,-0.2 6,-0.5 0.782 114.1 53.1 -47.6 -29.1 -13.8 31.4 14.8 228 228 A L H ><> - 0 0 40 1,-0.2 3,-1.3 2,-0.1 4,-1.3 -0.675 57.6-154.0 -81.7 114.6 -26.6 18.1 -31.3 258 258 A L H 3> S+ 0 0 33 -2,-0.6 4,-2.3 1,-0.3 3,-0.3 0.856 96.2 51.7 -56.0 -39.6 -29.5 17.3 -29.0 259 259 A E H 34 S+ 0 0 14 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.686 108.6 52.2 -73.8 -15.0 -30.0 13.9 -30.7 260 260 A E H <4 S+ 0 0 22 -3,-1.3 4,-0.2 2,-0.1 -1,-0.2 0.700 114.3 41.5 -91.1 -19.9 -26.3 13.2 -30.1 261 261 A I H >X S+ 0 0 0 -4,-1.3 4,-2.4 -3,-0.3 3,-1.7 0.823 93.2 79.4 -94.3 -37.7 -26.4 14.0 -26.5 262 262 A K H 3X S+ 0 0 43 -4,-2.3 4,-3.2 1,-0.3 5,-0.3 0.852 91.0 55.0 -39.3 -52.7 -29.7 12.4 -25.4 263 263 A P H 3> S+ 0 0 24 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.855 110.4 45.1 -55.3 -35.3 -28.2 8.9 -25.3 264 264 A Y H <> S+ 0 0 30 -3,-1.7 4,-2.0 -4,-0.2 -2,-0.2 0.915 113.4 51.2 -74.2 -40.4 -25.5 10.1 -22.9 265 265 A L H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.911 110.7 48.0 -62.2 -41.7 -28.0 12.0 -20.8 266 266 A F H X S+ 0 0 30 -4,-3.2 4,-3.1 -5,-0.2 5,-0.2 0.904 108.5 52.6 -69.4 -38.5 -30.3 9.0 -20.5 267 267 A R H X S+ 0 0 111 -4,-1.7 4,-2.2 -5,-0.3 -1,-0.2 0.918 109.5 51.4 -60.9 -40.2 -27.5 6.6 -19.5 268 268 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.886 110.8 49.1 -63.3 -36.9 -26.7 9.1 -16.8 269 269 A I H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.938 108.0 51.9 -68.4 -47.3 -30.3 9.1 -15.8 270 270 A E H X S+ 0 0 62 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.906 111.9 47.3 -56.4 -43.5 -30.6 5.3 -15.6 271 271 A E H X S+ 0 0 62 -4,-2.2 4,-2.5 -5,-0.2 -1,-0.2 0.924 111.3 51.2 -65.3 -42.6 -27.5 5.1 -13.4 272 272 A S H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.933 109.8 48.2 -60.3 -49.3 -28.8 7.8 -11.1 273 273 A Y H < S+ 0 0 40 -4,-2.7 4,-0.3 2,-0.2 -1,-0.2 0.877 109.8 53.6 -60.5 -35.7 -32.2 6.3 -10.6 274 274 A Y H >< S+ 0 0 177 -4,-1.7 3,-1.3 -5,-0.3 -1,-0.2 0.956 112.6 43.2 -61.9 -48.7 -30.5 3.0 -9.8 275 275 A K H 3< S+ 0 0 108 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.706 94.9 83.2 -69.0 -20.2 -28.3 4.7 -7.2 276 276 A L T >< S- 0 0 2 -4,-1.8 3,-2.7 1,-0.2 2,-0.5 0.603 76.8-164.6 -61.1 -11.9 -31.4 6.5 -6.0 277 277 A D T < - 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