==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 29-NOV-10 3PR4 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR K.N.KIROUAC,Z.SUO,H.LING . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17186.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 17.0 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 19 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 113 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 1 0 0 1 2 1 1 2 0 0 0 1 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 0 0 1 2 1 1 2 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 2 1 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 98 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 143.0 1.3 19.7 11.3 2 2 A I - 0 0 21 113,-0.1 109,-2.0 2,-0.0 110,-0.4 -0.987 360.0-169.7-121.2 123.4 2.5 16.9 13.6 3 3 A V E -AB 110 145A 0 142,-2.9 142,-1.8 -2,-0.5 2,-0.6 -0.946 11.2-164.2-121.1 132.0 6.1 15.8 13.3 4 4 A L E -AB 109 144A 0 105,-3.0 105,-2.2 -2,-0.4 2,-0.4 -0.960 12.1-165.3-117.6 111.8 7.7 12.8 14.9 5 5 A F E -AB 108 143A 0 138,-3.5 138,-2.4 -2,-0.6 2,-0.4 -0.789 3.0-156.1-100.8 137.6 11.5 12.9 15.0 6 6 A V E +AB 107 142A 0 101,-2.7 101,-1.9 -2,-0.4 2,-0.4 -0.960 11.6 179.6-117.3 133.9 13.6 9.8 15.7 7 7 A D E -AB 106 141A 8 134,-2.0 134,-1.6 -2,-0.4 99,-0.2 -0.836 25.0-133.2-138.4 100.2 17.1 9.9 17.1 8 8 A F E > - B 0 140A 2 97,-1.3 3,-0.8 -2,-0.4 132,-0.3 -0.168 34.0-106.2 -54.3 137.0 19.0 6.7 17.7 9 9 A D T 3 S- 0 0 3 130,-1.8 5,-0.3 1,-0.3 -1,-0.1 -0.455 82.7 -32.1 -73.8 134.6 20.8 6.7 21.2 10 10 A Y T >> S- 0 0 40 -2,-0.2 4,-2.3 1,-0.1 3,-0.7 0.757 86.8-163.6 21.2 56.6 24.6 7.1 21.2 11 11 A F H <> + 0 0 11 -3,-0.8 4,-2.5 1,-0.2 5,-0.2 0.690 69.8 45.4 -41.5 -56.4 24.3 5.3 17.8 12 12 A A H 3> S+ 0 0 8 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.936 119.5 42.2 -62.0 -45.7 27.8 4.0 17.0 13 13 A A H <> S+ 0 0 0 -3,-0.7 4,-2.4 2,-0.2 3,-0.4 0.949 111.6 53.8 -63.8 -51.2 28.5 2.7 20.5 14 14 A Q H X S+ 0 0 7 -4,-2.3 4,-2.3 -5,-0.3 -2,-0.2 0.877 108.9 50.9 -52.7 -40.8 25.0 1.2 20.9 15 15 A V H X S+ 0 0 1 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.3 0.873 107.9 52.3 -63.1 -36.2 25.6 -0.7 17.7 16 16 A E H X S+ 0 0 8 -4,-1.5 4,-1.1 -3,-0.4 -2,-0.2 0.869 110.0 49.8 -68.0 -34.4 28.9 -1.9 19.1 17 17 A E H < S+ 0 0 21 -4,-2.4 3,-0.3 2,-0.2 6,-0.3 0.916 106.9 54.9 -65.6 -43.8 27.1 -3.1 22.2 18 18 A V H < S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.859 111.1 43.0 -63.8 -35.4 24.5 -4.9 20.1 19 19 A L H < S+ 0 0 95 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.750 132.2 25.6 -78.8 -20.7 27.1 -6.9 18.2 20 20 A N >< - 0 0 71 -4,-1.1 3,-2.1 -3,-0.3 -1,-0.2 -0.591 69.0-178.0-145.0 74.5 29.0 -7.6 21.5 21 21 A P G > S+ 0 0 91 0, 0.0 3,-3.8 0, 0.0 -1,-0.1 0.683 72.2 82.2 -50.7 -27.6 26.7 -7.4 24.5 22 22 A S G 3 S+ 0 0 98 1,-0.3 4,-0.1 3,-0.1 -5,-0.1 0.634 84.0 66.3 -60.9 -8.1 29.5 -8.0 27.0 23 23 A L G X S+ 0 0 11 -3,-2.1 3,-1.6 -6,-0.3 -1,-0.3 0.621 73.4 120.9 -80.8 -17.0 30.0 -4.2 26.5 24 24 A K T < S+ 0 0 68 -3,-3.8 -10,-0.0 1,-0.2 0, 0.0 -0.211 82.3 7.3 -51.2 130.4 26.7 -3.4 28.1 25 25 A G T 3 S+ 0 0 54 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 0.073 104.1 105.8 89.5 -27.8 27.2 -1.2 31.2 26 26 A K S < S- 0 0 37 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.2 -0.633 85.0 -96.7 -88.0 145.8 30.9 -0.6 30.7 27 27 A P - 0 0 34 0, 0.0 45,-2.0 0, 0.0 2,-0.4 -0.469 45.7-163.1 -64.1 122.0 32.0 2.8 29.4 28 28 A V E -e 72 0B 0 -2,-0.3 19,-1.9 43,-0.2 2,-0.5 -0.916 11.6-172.2-114.7 132.4 32.5 2.5 25.6 29 29 A V E -eF 73 46B 0 43,-3.0 45,-3.0 -2,-0.4 2,-0.5 -0.956 7.6-159.5-127.8 114.8 34.5 5.0 23.5 30 30 A V E -eF 74 45B 0 15,-2.8 14,-2.8 -2,-0.5 15,-1.3 -0.798 22.7-168.6 -95.0 128.0 34.5 4.6 19.7 31 31 A C E -eF 75 43B 0 43,-4.4 45,-3.0 -2,-0.5 2,-0.7 -0.824 31.1-140.9-127.2 153.7 37.4 6.4 18.1 32 32 A V E - F 0 42B 79 10,-2.3 10,-1.6 -2,-0.3 2,-0.3 -0.940 28.3-151.8-107.4 103.7 38.8 7.5 14.8 33 33 A F E - F 0 41B 87 -2,-0.7 8,-0.3 8,-0.2 7,-0.1 -0.631 5.6-161.7 -81.8 133.8 42.6 6.8 15.0 34 34 A S - 0 0 37 6,-1.6 216,-0.3 -2,-0.3 7,-0.2 0.791 24.4-130.9 -91.9 -29.4 44.5 9.3 12.9 35 35 A G S S+ 0 0 60 2,-0.4 217,-0.1 5,-0.4 -2,-0.0 -0.017 76.7 108.1 107.2 -30.3 47.8 7.4 12.5 36 36 A R S S- 0 0 67 215,-0.1 2,-0.3 1,-0.1 216,-0.0 0.881 92.8 -20.3 -48.9 -47.2 50.3 10.2 13.3 37 37 A F S > S- 0 0 128 0, 0.0 3,-1.6 0, 0.0 2,-0.5 -0.903 93.8 -49.7-150.9-180.0 51.1 8.6 16.7 38 38 A E T 3 S- 0 0 86 -2,-0.3 -2,-0.0 1,-0.3 24,-0.0 -0.454 126.1 -5.3 -56.2 109.5 50.1 6.1 19.4 39 39 A D T 3 S+ 0 0 54 -2,-0.5 23,-0.4 1,-0.3 22,-0.4 0.466 90.7 152.9 82.5 2.4 46.5 7.1 20.2 40 40 A S < + 0 0 5 -3,-1.6 -6,-1.6 21,-0.1 -5,-0.4 -0.323 38.4 62.8 -58.2 148.0 46.4 10.2 18.0 41 41 A G E S-F 33 0B 27 -8,-0.3 20,-1.2 -7,-0.2 2,-0.3 -0.869 75.7 -82.2 130.7-165.4 42.9 10.9 16.8 42 42 A A E -FG 32 60B 36 -10,-1.6 -10,-2.3 -2,-0.3 2,-0.4 -0.885 33.1 -97.2-139.1 165.1 39.5 11.9 18.3 43 43 A V E -F 31 0B 6 16,-2.3 15,-2.7 -2,-0.3 -12,-0.2 -0.725 27.5-175.0 -81.2 132.2 36.4 10.5 20.0 44 44 A A E - 0 0 27 -14,-2.8 2,-0.3 -2,-0.4 -13,-0.2 0.879 68.9 -25.1 -90.6 -50.9 33.6 9.9 17.5 45 45 A T E -F 30 0B 15 -15,-1.3 -15,-2.8 11,-0.1 -1,-0.4 -0.974 55.9-159.1-158.3 154.0 31.0 8.9 20.1 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.2 -0.968 26.3-113.4-130.5 147.5 30.9 7.4 23.6 47 47 A N > - 0 0 0 -19,-1.9 4,-3.0 -2,-0.3 5,-0.2 -0.134 43.5 -94.4 -67.4 177.2 28.1 5.6 25.4 48 48 A Y H > S+ 0 0 69 2,-0.2 4,-3.5 1,-0.2 5,-0.1 0.862 123.9 58.9 -72.2 -33.4 26.5 7.3 28.5 49 49 A E H 4 S+ 0 0 76 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.960 115.1 40.6 -51.5 -49.9 28.7 5.5 31.1 50 50 A A H >4>S+ 0 0 0 -24,-0.2 3,-1.7 1,-0.2 5,-1.3 0.933 114.0 51.7 -61.3 -50.5 31.5 7.1 29.2 51 51 A R H ><5S+ 0 0 73 -4,-3.0 3,-2.5 1,-0.3 -2,-0.2 0.872 94.5 72.5 -57.7 -38.4 29.7 10.4 28.7 52 52 A K T 3<5S+ 0 0 79 -4,-3.5 -1,-0.3 1,-0.3 -2,-0.2 0.695 99.7 47.1 -51.7 -20.4 28.9 10.6 32.4 53 53 A F T < 5S- 0 0 130 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.224 128.7 -87.3-112.5 14.1 32.6 11.5 33.1 54 54 A G T < 5S+ 0 0 39 -3,-2.5 2,-1.1 1,-0.2 -3,-0.2 0.573 84.9 134.7 96.6 10.2 33.2 14.1 30.4 55 55 A V < + 0 0 0 -5,-1.3 2,-0.2 -4,-0.1 -1,-0.2 -0.770 31.8 145.6 -94.6 93.1 34.2 11.7 27.7 56 56 A K > - 0 0 110 -2,-1.1 3,-1.4 1,-0.1 -13,-0.2 -0.786 52.7 -61.7-126.1 170.5 32.2 13.0 24.7 57 57 A A T 3 S+ 0 0 56 -2,-0.2 -13,-0.2 1,-0.2 -1,-0.1 -0.139 111.4 26.0 -46.1 133.1 32.4 13.4 20.9 58 58 A G T 3 S+ 0 0 57 -15,-2.7 -1,-0.2 1,-0.3 -14,-0.1 0.105 84.6 115.2 105.9 -23.0 35.3 15.5 19.7 59 59 A I S < S- 0 0 31 -3,-1.4 -16,-2.3 1,-0.1 -1,-0.3 -0.421 75.2 -88.1 -80.2 156.7 38.0 15.4 22.3 60 60 A P B > -G 42 0B 65 0, 0.0 4,-1.6 0, 0.0 -18,-0.3 -0.248 30.0-127.6 -54.4 150.8 41.4 13.9 21.7 61 61 A I H > S+ 0 0 1 -20,-1.2 4,-1.7 -22,-0.4 -21,-0.1 0.888 109.4 59.2 -69.5 -38.0 41.7 10.1 22.4 62 62 A V H > S+ 0 0 53 -23,-0.4 4,-1.4 -21,-0.3 -1,-0.2 0.898 104.4 50.4 -58.2 -45.9 44.7 10.7 24.7 63 63 A E H >> S+ 0 0 69 1,-0.2 4,-2.0 2,-0.2 3,-0.9 0.964 107.1 53.5 -49.7 -57.3 42.5 13.0 26.9 64 64 A A H 3X S+ 0 0 0 -4,-1.6 4,-3.7 1,-0.3 -2,-0.2 0.836 105.3 55.3 -54.2 -32.6 39.8 10.4 27.2 65 65 A K H 3< S+ 0 0 58 -4,-1.7 -1,-0.3 2,-0.2 -2,-0.2 0.855 104.0 52.2 -75.7 -31.6 42.3 7.9 28.4 66 66 A K H << S+ 0 0 145 -4,-1.4 -2,-0.2 -3,-0.9 -1,-0.2 0.953 118.1 39.4 -60.7 -51.0 43.5 10.1 31.3 67 67 A I H < S+ 0 0 70 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.931 136.6 17.5 -61.4 -49.5 39.8 10.4 32.3 68 68 A L >< + 0 0 24 -4,-3.7 3,-1.7 -5,-0.2 -1,-0.2 -0.589 67.5 165.5-127.9 73.9 38.9 6.8 31.6 69 69 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.706 80.2 41.9 -71.9 -15.3 42.0 4.7 31.3 70 70 A N T 3 S+ 0 0 160 2,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.111 84.6 117.6-114.5 22.4 40.1 1.4 31.6 71 71 A A S < S- 0 0 11 -3,-1.7 2,-0.6 -7,-0.1 -43,-0.2 -0.517 77.9 -98.1 -79.3 156.8 37.2 2.1 29.3 72 72 A V E -e 28 0B 49 -45,-2.0 -43,-3.0 -2,-0.2 2,-0.6 -0.699 39.3-158.7 -76.4 119.5 36.8 -0.0 26.2 73 73 A Y E +e 29 0B 40 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.1 -0.889 13.8 179.1-104.7 117.5 38.2 1.9 23.2 74 74 A L E -e 30 0B 41 -45,-3.0 -43,-4.4 -2,-0.6 2,-0.2 -0.914 27.2-117.3-120.1 146.7 37.0 0.8 19.8 75 75 A P E -e 31 0B 68 0, 0.0 -43,-0.2 0, 0.0 -45,-0.0 -0.499 43.9 -93.1 -76.1 144.5 37.8 2.1 16.3 76 76 A M - 0 0 56 -45,-3.0 2,-0.1 -2,-0.2 3,-0.1 -0.302 33.3-169.0 -53.0 132.3 35.0 3.6 14.2 77 77 A R >> + 0 0 91 1,-0.1 4,-1.5 -3,-0.1 3,-1.4 -0.566 14.1 170.0-123.2 66.3 33.3 1.0 11.9 78 78 A K H 3> S+ 0 0 110 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.838 72.8 56.5 -41.2 -52.4 31.2 3.4 9.8 79 79 A E H 3> S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.826 107.7 51.0 -58.8 -32.3 30.2 0.8 7.2 80 80 A V H <> S+ 0 0 29 -3,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.961 111.0 44.0 -68.6 -54.7 28.7 -1.3 10.0 81 81 A Y H X S+ 0 0 2 -4,-1.5 4,-2.8 1,-0.2 -2,-0.2 0.828 112.1 57.2 -62.3 -29.9 26.6 1.4 11.7 82 82 A Q H X S+ 0 0 81 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.925 106.4 46.4 -67.0 -46.4 25.5 2.5 8.2 83 83 A Q H X S+ 0 0 138 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.931 114.9 48.0 -62.1 -44.3 24.1 -1.0 7.3 84 84 A V H X S+ 0 0 11 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.933 109.4 54.3 -60.7 -43.3 22.4 -1.1 10.7 85 85 A S H X S+ 0 0 2 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.923 103.5 55.9 -55.4 -46.0 21.0 2.4 10.1 86 86 A S H X S+ 0 0 51 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.896 105.4 50.1 -57.3 -42.7 19.5 1.4 6.8 87 87 A R H X S+ 0 0 112 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.925 112.2 48.0 -65.5 -42.5 17.4 -1.4 8.2 88 88 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.957 109.4 52.2 -60.9 -48.8 16.1 0.9 10.9 89 89 A M H X S+ 0 0 5 -4,-2.9 4,-1.2 1,-0.3 -2,-0.2 0.906 106.7 55.0 -53.8 -44.2 15.3 3.6 8.4 90 90 A N H >< S+ 0 0 95 -4,-2.5 3,-0.6 -5,-0.2 4,-0.4 0.909 104.2 54.7 -54.7 -43.7 13.4 1.0 6.4 91 91 A L H >< S+ 0 0 32 -4,-2.0 3,-2.3 1,-0.2 4,-0.3 0.956 104.1 54.2 -51.4 -51.1 11.4 0.2 9.5 92 92 A L H >< S+ 0 0 0 -4,-2.0 3,-1.7 1,-0.3 4,-0.4 0.754 94.7 68.5 -61.6 -24.9 10.3 3.9 9.9 93 93 A R T << S+ 0 0 118 -4,-1.2 3,-0.3 -3,-0.6 -1,-0.3 0.647 85.2 70.5 -69.5 -14.4 9.0 4.0 6.3 94 94 A E T < S+ 0 0 87 -3,-2.3 -1,-0.3 -4,-0.4 -2,-0.2 0.688 101.2 47.6 -70.0 -16.4 6.2 1.6 7.5 95 95 A Y S < S+ 0 0 28 -3,-1.7 2,-0.3 1,-0.3 -1,-0.2 0.514 121.3 8.4-107.8 -10.0 4.8 4.6 9.4 96 96 A S - 0 0 21 -4,-0.4 -1,-0.3 -3,-0.3 15,-0.1 -0.878 38.4-153.1-171.4 143.0 4.9 7.4 6.8 97 97 A E S S+ 0 0 106 -2,-0.3 2,-1.3 1,-0.2 -1,-0.1 0.766 94.7 75.3 -80.7 -30.7 5.5 8.2 3.1 98 98 A K S S+ 0 0 35 12,-0.4 12,-2.4 -3,-0.1 2,-0.4 -0.679 71.0 148.0 -80.8 89.4 6.5 11.7 4.3 99 99 A I E -C 109 0A 14 -2,-1.3 2,-0.7 10,-0.2 141,-0.2 -0.961 33.9-163.9-137.9 124.6 10.0 10.9 5.7 100 100 A E E -C 108 0A 11 8,-3.0 8,-3.1 -2,-0.4 2,-0.9 -0.897 7.9-158.1-107.7 110.8 13.2 12.9 5.9 101 101 A I E +C 107 0A 43 -2,-0.7 6,-0.2 6,-0.2 3,-0.1 -0.799 16.1 179.0 -83.1 107.5 16.4 10.9 6.6 102 102 A A E - 0 0 16 4,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.791 58.2 -26.3 -87.9 -29.9 18.5 13.8 8.0 103 103 A S E > S-C 106 0A 29 3,-1.2 3,-1.5 -3,-0.1 -1,-0.2 -0.918 89.2 -60.1-166.0-173.9 21.7 11.8 8.8 104 104 A I T 3 S+ 0 0 44 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 0.706 134.0 20.0 -56.1 -21.9 22.8 8.4 9.7 105 105 A D T 3 S+ 0 0 31 1,-0.1 -97,-1.3 -17,-0.0 2,-0.4 0.066 107.4 85.1-140.5 31.8 20.7 8.3 12.8 106 106 A E E < +AC 7 103A 34 -3,-1.5 -4,-2.4 -99,-0.2 -3,-1.2 -0.985 42.2 172.4-141.6 127.3 18.0 10.9 12.4 107 107 A A E -AC 6 101A 0 -101,-1.9 -101,-2.7 -2,-0.4 2,-0.5 -0.992 17.9-154.3-136.4 131.5 14.6 10.8 10.7 108 108 A Y E -AC 5 100A 23 -8,-3.1 -8,-3.0 -2,-0.4 2,-0.5 -0.900 15.2-166.5 -98.9 129.7 11.8 13.3 10.6 109 109 A L E -AC 4 99A 0 -105,-2.2 -105,-3.0 -2,-0.5 2,-0.9 -0.977 14.8-145.7-119.2 123.6 8.4 11.7 10.0 110 110 A D E +A 3 0A 40 -12,-2.4 -12,-0.4 -2,-0.5 3,-0.3 -0.774 25.2 170.3 -85.0 106.1 5.4 13.8 9.1 111 111 A I >> + 0 0 0 -109,-2.0 3,-1.6 -2,-0.9 4,-1.5 0.111 36.7 117.1-108.7 24.7 2.6 12.0 10.8 112 112 A S T 34 S+ 0 0 31 -110,-0.4 3,-0.2 1,-0.3 -1,-0.2 0.861 82.0 40.4 -57.9 -45.2 -0.1 14.7 10.2 113 113 A D T 34 S+ 0 0 169 -3,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.189 115.8 54.2 -91.4 14.4 -2.3 12.4 8.1 114 114 A K T <4 S+ 0 0 61 -3,-1.6 2,-0.3 1,-0.3 -2,-0.2 0.535 108.7 40.0-123.9 -15.5 -1.7 9.4 10.3 115 115 A V < - 0 0 14 -4,-1.5 -1,-0.3 -3,-0.2 3,-0.1 -0.977 60.2-151.4-134.0 151.9 -2.7 10.8 13.8 116 116 A R S S- 0 0 80 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.693 79.0 -4.6 -95.5 -19.9 -5.6 13.0 14.8 117 117 A D S > S- 0 0 71 1,-0.0 4,-1.5 -115,-0.0 3,-0.3 -0.929 82.7 -87.0-160.5 175.5 -3.9 14.7 17.8 118 118 A Y H > S+ 0 0 38 -2,-0.3 4,-3.3 1,-0.2 5,-0.3 0.830 120.2 63.3 -65.3 -31.3 -0.7 14.5 19.9 119 119 A R H > S+ 0 0 156 1,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.929 107.9 42.5 -58.5 -46.5 -2.1 11.7 22.2 120 120 A E H > S+ 0 0 73 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.819 113.4 54.5 -65.4 -33.8 -2.3 9.5 19.1 121 121 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.918 105.7 50.1 -67.1 -45.4 1.2 10.8 18.1 122 122 A Y H X S+ 0 0 94 -4,-3.3 4,-2.1 1,-0.2 -1,-0.2 0.886 109.5 54.0 -60.3 -37.4 2.8 9.9 21.3 123 123 A N H X S+ 0 0 84 -4,-1.4 4,-2.0 -5,-0.3 -1,-0.2 0.893 106.4 49.9 -65.6 -40.8 1.3 6.5 21.0 124 124 A L H X S+ 0 0 23 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.826 108.0 55.0 -65.4 -32.2 2.8 6.0 17.6 125 125 A G H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.918 108.1 48.2 -67.2 -43.0 6.1 7.0 19.0 126 126 A L H X S+ 0 0 56 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.888 112.4 49.9 -58.2 -41.1 5.7 4.3 21.6 127 127 A E H X S+ 0 0 111 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.809 111.7 47.4 -73.0 -32.1 4.8 1.9 18.8 128 128 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.3 0.931 107.4 54.5 -74.0 -47.7 7.8 2.9 16.7 129 129 A K H X S+ 0 0 17 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.908 112.0 47.5 -52.4 -41.9 10.3 2.6 19.6 130 130 A N H X S+ 0 0 79 -4,-1.7 4,-4.0 2,-0.2 5,-0.3 0.944 105.6 55.8 -64.4 -51.4 9.0 -0.9 20.1 131 131 A K H X S+ 0 0 76 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.903 113.9 42.2 -45.8 -47.7 9.2 -1.9 16.5 132 132 A I H X>S+ 0 0 0 -4,-2.2 4,-3.3 2,-0.2 5,-1.0 0.918 114.6 49.6 -69.8 -45.3 12.9 -1.0 16.5 133 133 A L H X5S+ 0 0 64 -4,-2.5 4,-1.4 -5,-0.3 -2,-0.2 0.941 115.6 44.3 -59.7 -49.1 13.6 -2.5 19.8 134 134 A E H <5S+ 0 0 120 -4,-4.0 -2,-0.2 1,-0.2 -3,-0.2 0.992 122.3 36.0 -52.9 -66.1 11.9 -5.7 18.7 135 135 A K H <5S+ 0 0 130 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.828 139.9 8.0 -61.4 -40.7 13.5 -5.9 15.3 136 136 A E H <5S- 0 0 35 -4,-3.3 -3,-0.2 -5,-0.2 -1,-0.2 0.501 84.5-125.7-126.9 -9.5 17.0 -4.5 16.1 137 137 A K << + 0 0 128 -4,-1.4 2,-0.6 -5,-1.0 -4,-0.2 0.822 65.9 136.4 64.0 28.5 17.4 -4.1 19.9 138 138 A I - 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0 0 13 -4,-0.2 -20,-2.2 -7,-0.1 2,-0.3 -0.320 47.4-159.3 -98.8 171.7 13.0 8.8 25.8 163 163 A I E +d 142 0A 31 -22,-0.2 2,-0.3 -3,-0.1 -20,-0.2 -0.891 20.2 171.7-148.8 119.2 9.8 10.1 24.2 164 164 A K E -d 143 0A 59 -22,-2.2 -20,-2.2 -2,-0.3 2,-0.5 -0.965 19.2-154.0-132.5 149.1 8.6 13.7 24.6 165 165 A V E -d 144 0A 28 -2,-0.3 2,-1.0 -22,-0.2 -20,-0.2 -0.974 3.8-158.5-123.9 120.8 5.9 15.9 23.2 166 166 A I - 0 0 0 -22,-2.9 -20,-0.4 -2,-0.5 -12,-0.1 -0.817 23.0-155.9 -98.2 98.0 6.1 19.7 23.0 167 167 A D > - 0 0 76 -2,-1.0 4,-2.4 -22,-0.1 3,-0.1 -0.085 34.2 -92.6 -67.4 169.1 2.5 20.9 22.6 168 168 A D H > S+ 0 0 83 1,-0.2 4,-0.9 2,-0.2 -1,-0.1 0.798 127.9 49.6 -54.7 -30.2 1.4 24.2 21.1 169 169 A E H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 3,-0.3 0.905 107.6 50.7 -79.6 -40.4 1.5 25.7 24.6 170 170 A E H > S+ 0 0 37 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.864 102.7 64.0 -63.5 -33.2 5.0 24.5 25.6 171 171 A V H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.925 105.5 43.1 -52.7 -46.9 6.2 25.9 22.3 172 172 A K H X S+ 0 0 138 -4,-0.9 4,-1.0 -3,-0.3 -1,-0.2 0.904 111.4 54.7 -70.5 -39.6 5.3 29.4 23.4 173 173 A R H >X S+ 0 0 105 -4,-2.1 4,-3.2 1,-0.2 3,-1.2 0.968 112.8 43.4 -49.7 -54.4 6.8 28.7 26.8 174 174 A L H 3X S+ 0 0 2 -4,-3.3 4,-1.5 1,-0.3 28,-0.4 0.831 103.5 63.5 -65.6 -34.8 10.1 27.7 25.2 175 175 A I H 3< S+ 0 0 11 -4,-2.2 28,-2.0 -5,-0.2 -1,-0.3 0.756 118.4 29.8 -61.7 -22.3 10.0 30.6 22.8 176 176 A R H << S+ 0 0 49 -3,-1.2 -2,-0.2 -4,-1.0 -1,-0.2 0.800 132.3 31.1-103.6 -38.9 10.3 32.7 25.9 177 177 A E H < S+ 0 0 109 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.870 89.7 98.4 -90.4 -41.8 12.2 30.5 28.3 178 178 A L S < S- 0 0 18 -4,-1.5 24,-0.6 -5,-0.2 2,-0.2 -0.228 80.0-111.4 -60.8 129.1 14.6 28.3 26.3 179 179 A D B > -H 201 0C 73 1,-0.2 3,-2.8 22,-0.1 22,-0.2 -0.420 21.7-137.9 -59.3 122.7 18.2 29.4 26.0 180 180 A I G > S+ 0 0 3 20,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.690 99.6 72.6 -60.1 -17.5 18.6 30.4 22.4 181 181 A A G 3 S+ 0 0 36 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.692 90.9 58.5 -69.6 -19.3 22.0 28.6 22.5 182 182 A D G < S+ 0 0 97 -3,-2.8 -1,-0.3 2,-0.1 -2,-0.2 0.279 79.6 114.1 -93.9 8.4 20.1 25.3 22.5 183 183 A V S X S- 0 0 3 -3,-1.5 3,-2.0 -4,-0.1 -33,-0.1 -0.706 81.7-103.7 -80.2 123.6 18.3 26.1 19.2 184 184 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.220 108.9 28.1 -46.1 126.4 19.4 23.8 16.4 185 185 A G T 3 S+ 0 0 58 1,-0.2 2,-0.7 -4,-0.1 -3,-0.1 0.452 89.7 114.6 99.2 2.6 21.8 25.6 14.2 186 186 A I < + 0 0 16 -3,-2.0 -1,-0.2 -5,-0.2 2,-0.1 -0.877 41.2 176.1-108.3 101.1 23.2 27.9 16.9 187 187 A G > - 0 0 42 -2,-0.7 4,-3.9 -3,-0.1 5,-0.3 -0.409 47.5 -88.0 -94.2 175.6 26.9 27.2 17.5 188 188 A N H > S+ 0 0 141 1,-0.2 4,-3.6 2,-0.2 5,-0.3 0.929 124.6 55.6 -49.6 -55.6 29.3 29.1 19.8 189 189 A I H > S+ 0 0 138 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.916 119.2 33.6 -44.7 -50.9 30.3 31.6 17.3 190 190 A T H > S+ 0 0 21 2,-0.2 4,-2.5 -3,-0.2 -1,-0.2 0.926 114.5 57.5 -73.8 -46.0 26.7 32.6 16.7 191 191 A A H X S+ 0 0 17 -4,-3.9 4,-2.7 2,-0.2 5,-0.2 0.909 109.1 48.5 -50.3 -45.6 25.6 32.0 20.3 192 192 A E H X S+ 0 0 115 -4,-3.6 4,-3.2 -5,-0.3 5,-0.3 0.994 107.7 51.6 -56.6 -67.4 28.2 34.5 21.3 193 193 A K H < S+ 0 0 76 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.806 112.4 50.5 -36.3 -39.5 27.2 37.1 18.7 194 194 A L H ><>S+ 0 0 0 -4,-2.5 3,-2.6 2,-0.2 5,-1.4 0.970 108.2 47.4 -69.1 -57.0 23.7 36.7 20.1 195 195 A K H ><5S+ 0 0 147 -4,-2.7 3,-3.2 1,-0.3 -2,-0.2 0.918 105.9 63.8 -42.2 -45.6 24.6 37.2 23.7 196 196 A K T 3<5S+ 0 0 168 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.635 104.4 45.1 -60.6 -13.1 26.5 40.2 22.4 197 197 A L T < 5S- 0 0 61 -3,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.233 122.0-107.0-111.1 11.3 23.2 41.6 21.4 198 198 A G T < 5S+ 0 0 56 -3,-3.2 2,-0.5 1,-0.3 -3,-0.2 0.242 76.3 142.0 78.9 -13.0 21.6 40.8 24.7 199 199 A I < + 0 0 3 -5,-1.4 -1,-0.3 -6,-0.2 -2,-0.2 -0.485 3.7 143.7 -64.9 112.9 19.7 38.0 22.8 200 200 A N + 0 0 34 -2,-0.5 -20,-2.1 1,-0.2 -19,-0.3 0.393 64.6 39.0-128.7 -10.9 19.6 35.1 25.1 201 201 A K B S-H 179 0C 64 -22,-0.2 3,-0.5 -21,-0.1 4,-0.4 -0.914 83.9-110.4-138.4 163.6 16.1 33.8 24.2 202 202 A L S > S+ 0 0 0 -24,-0.6 3,-1.8 -28,-0.4 4,-0.2 0.922 112.3 61.0 -62.9 -45.9 14.0 33.4 21.0 203 203 A V G > S+ 0 0 50 -28,-2.0 3,-2.2 1,-0.3 4,-0.2 0.822 90.1 71.4 -47.1 -37.8 11.5 36.2 22.0 204 204 A D G > S+ 0 0 54 -3,-0.5 3,-1.6 1,-0.3 -1,-0.3 0.780 84.0 67.5 -58.1 -27.5 14.3 38.8 22.0 205 205 A T G < S+ 0 0 3 -3,-1.8 3,-0.5 -4,-0.4 -1,-0.3 0.638 91.9 62.7 -69.4 -11.3 14.7 38.7 18.2 206 206 A L G < S+ 0 0 83 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.500 102.9 49.1 -88.2 -8.2 11.2 40.3 17.9 207 207 A S S < S+ 0 0 98 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.2 -0.434 94.3 83.8-132.9 52.2 12.3 43.5 19.7 208 208 A I S S- 0 0 43 -3,-0.5 5,-0.2 0, 0.0 -11,-0.0 -0.884 90.6 -94.9-156.5 125.5 15.5 44.3 17.8 209 209 A E >> - 0 0 74 -2,-0.3 4,-1.4 1,-0.1 3,-1.3 -0.145 37.4-132.1 -42.3 116.9 16.0 46.2 14.6 210 210 A F H >> S+ 0 0 72 1,-0.3 4,-4.2 2,-0.2 3,-0.5 0.846 103.8 54.9 -43.5 -48.4 16.2 43.5 12.0 211 211 A D H 3> S+ 0 0 118 1,-0.3 4,-3.8 2,-0.3 -1,-0.3 0.848 102.6 56.3 -59.0 -35.9 19.3 44.9 10.3 212 212 A K H <> S+ 0 0 46 -3,-1.3 4,-1.0 2,-0.2 -1,-0.3 0.879 116.0 39.3 -61.1 -36.3 21.1 44.9 13.6 213 213 A L H XX>S+ 0 0 0 -4,-1.4 4,-2.0 -3,-0.5 3,-0.8 0.958 117.1 46.5 -76.5 -56.7 20.3 41.2 13.6 214 214 A K H 3X5S+ 0 0 83 -4,-4.2 4,-2.1 1,-0.2 -2,-0.2 0.917 108.1 61.6 -46.9 -45.8 20.9 40.6 9.9 215 215 A G H 3<5S+ 0 0 58 -4,-3.8 -1,-0.2 -5,-0.3 -2,-0.2 0.851 113.4 32.0 -52.3 -42.5 24.1 42.6 10.3 216 216 A M H <<5S+ 0 0 80 -4,-1.0 -2,-0.2 -3,-0.8 -1,-0.2 0.973 135.0 18.8 -80.4 -62.9 25.6 40.1 12.8 217 217 A I H <5S- 0 0 21 -4,-2.0 4,-0.4 1,-0.2 -3,-0.2 0.580 106.7-118.3 -95.1 -11.8 24.3 36.7 12.0 218 218 A G X< - 0 0 28 -4,-2.1 4,-1.9 -5,-0.7 -1,-0.2 -0.115 33.4 -67.4 93.5 165.6 23.2 37.3 8.5 219 219 A E H > S+ 0 0 91 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.955 123.6 46.3 -58.2 -62.1 19.9 37.1 6.7 220 220 A A H > S+ 0 0 81 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.876 116.3 45.5 -54.9 -43.1 19.1 33.3 6.7 221 221 A K H > S+ 0 0 63 -4,-0.4 4,-2.4 2,-0.2 -1,-0.3 0.880 114.2 49.1 -70.7 -34.3 19.9 32.9 10.3 222 222 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.934 114.3 44.5 -68.0 -47.4 18.0 36.1 11.3 223 223 A K H X S+ 0 0 106 -4,-3.3 4,-3.0 2,-0.2 5,-0.2 0.893 112.5 54.3 -60.0 -40.9 14.9 35.1 9.3 224 224 A Y H X S+ 0 0 47 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.930 112.7 40.2 -62.5 -50.6 15.2 31.6 10.8 225 225 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -1,-0.2 0.886 116.1 50.7 -66.7 -40.8 15.3 32.7 14.4 226 226 A I H X S+ 0 0 18 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.965 110.2 49.0 -63.3 -49.4 12.6 35.3 13.8 227 227 A S H <>S+ 0 0 31 -4,-3.0 5,-3.2 1,-0.3 6,-0.5 0.888 113.3 48.5 -56.5 -41.7 10.3 32.8 12.1 228 228 A L H ><5S+ 0 0 2 -4,-2.0 3,-1.4 -5,-0.2 -1,-0.3 0.928 111.7 50.0 -60.2 -44.0 10.9 30.5 15.0 229 229 A A H 3<5S+ 0 0 7 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.845 108.8 50.3 -68.0 -33.7 10.2 33.3 17.4 230 230 A R T 3<5S- 0 0 147 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.288 113.6-117.3 -81.9 8.6 6.9 34.3 15.7 231 231 A D T < 5S+ 0 0 41 -3,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.892 87.0 115.0 49.8 45.6 5.8 30.7 15.8 232 232 A E < + 0 0 118 -5,-3.2 2,-0.5 -6,-0.2 -4,-0.2 0.064 31.8 136.1-129.1 21.4 5.7 30.8 12.0 233 233 A Y + 0 0 43 -6,-0.5 2,-0.3 -5,-0.2 -85,-0.0 -0.617 20.5 164.6 -78.3 119.3 8.5 28.3 11.2 234 234 A N + 0 0 131 -2,-0.5 -87,-0.1 -87,-0.1 -1,-0.0 -0.810 9.6 154.2-138.3 104.3 7.6 25.9 8.5 235 235 A E - 0 0 27 -2,-0.3 -87,-0.5 3,-0.0 2,-0.1 -0.992 39.8-132.6-117.6 131.1 10.2 23.8 6.7 236 236 A P - 0 0 95 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.474 21.0 -95.3 -91.5 157.5 8.6 20.6 5.3 237 237 A I - 0 0 23 -2,-0.1 2,-0.4 -139,-0.0 -138,-0.1 -0.534 50.7-178.1 -68.6 123.9 9.7 17.0 5.5 238 238 A R - 0 0 54 -2,-0.3 -137,-0.1 -140,-0.1 -130,-0.1 -0.986 34.8-112.3-129.9 137.3 11.6 16.3 2.3 239 239 A T - 0 0 118 -2,-0.4 2,-0.4 -139,-0.2 -139,-0.2 -0.449 44.0-137.7 -59.2 136.3 13.2 13.1 1.1 240 240 A R - 0 0 111 -141,-0.2 2,-0.4 -139,-0.1 -139,-0.1 -0.868 17.6-163.8-107.7 136.2 16.9 13.9 1.2 241 241 A V - 0 0 99 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.979 31.7-106.9-118.2 129.5 19.4 13.1 -1.5 242 242 A R - 0 0 132 -2,-0.4 3,-0.1 1,-0.2 96,-0.0 -0.158 28.8-170.8 -50.6 140.8 23.2 13.2 -0.8 243 243 A K + 0 0 165 1,-0.2 96,-0.7 96,-0.1 2,-0.3 0.514 65.0 21.4-112.6 -12.9 24.7 16.2 -2.6 244 244 A S E -I 338 0D 38 94,-0.2 2,-0.3 95,-0.1 -1,-0.2 -0.977 51.6-169.3-151.9 165.8 28.3 15.3 -2.0 245 245 A I E +I 337 0D 16 92,-1.7 92,-3.6 -2,-0.3 2,-0.3 -0.961 27.0 138.1-154.6 137.5 30.8 12.4 -1.3 246 246 A G E -I 336 0D 6 -2,-0.3 2,-0.3 90,-0.3 90,-0.2 -0.938 33.6-136.9-168.5-179.4 34.4 12.8 -0.4 247 247 A R E -I 335 0D 86 88,-2.1 88,-2.2 -2,-0.3 2,-0.4 -0.925 10.5-173.8-162.5 130.7 37.2 11.6 1.8 248 248 A I E -I 334 0D 46 -2,-0.3 2,-0.3 86,-0.3 86,-0.3 -0.991 10.0-172.6-128.9 135.4 39.9 13.4 3.7 249 249 A V E -I 333 0D 12 84,-2.3 84,-2.1 -2,-0.4 2,-0.5 -0.809 26.7-109.8-120.4 166.7 42.7 11.6 5.5 250 250 A T E -I 332 0D 31 -2,-0.3 82,-0.2 -216,-0.3 2,-0.1 -0.876 29.5-128.4 -99.3 127.7 45.5 12.8 7.8 251 251 A M E - 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