==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER POLYMERASE 29-SEP-05 2C2R . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR A.IRIMIA,L.V.LOUKACHEVITCH,M.EGLI . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17776.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 257 75.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 17.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 23 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 111 32.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 2 1 1 1 2 0 0 1 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 0 1 0 2 1 1 1 1 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 58 0, 0.0 2,-0.4 0, 0.0 233,-0.0 0.000 360.0 360.0 360.0 134.3 -46.9 -16.9 14.9 2 2 A I - 0 0 7 113,-0.1 109,-1.9 2,-0.0 2,-0.4 -0.968 360.0-162.3-133.1 118.1 -45.0 -14.7 12.4 3 3 A V E -AB 110 145A 0 142,-3.5 142,-2.3 -2,-0.4 2,-0.5 -0.849 2.6-159.6-104.3 131.7 -41.2 -14.1 12.7 4 4 A L E -AB 109 144A 0 105,-3.8 105,-4.2 -2,-0.4 2,-0.4 -0.948 10.8-162.6-112.6 117.4 -39.4 -11.2 10.9 5 5 A F E -AB 108 143A 0 138,-4.2 138,-3.0 -2,-0.5 2,-0.4 -0.826 2.2-163.6-104.2 137.9 -35.7 -11.7 10.4 6 6 A V E -AB 107 142A 0 101,-2.7 101,-1.2 -2,-0.4 2,-0.5 -0.977 6.9-178.5-124.5 129.9 -33.2 -8.8 9.6 7 7 A D E -AB 106 141A 19 134,-2.7 134,-2.1 -2,-0.4 2,-0.2 -0.959 24.6-133.4-130.7 118.6 -29.7 -9.2 8.2 8 8 A F E > - B 0 140A 1 97,-2.0 3,-0.8 -2,-0.5 132,-0.2 -0.494 33.9-117.4 -67.7 131.6 -27.4 -6.3 7.5 9 9 A D T 3 S- 0 0 1 130,-2.4 5,-0.3 1,-0.3 130,-0.2 -0.476 81.4 -23.3 -73.2 144.5 -25.8 -6.8 4.1 10 10 A Y T >> S- 0 0 41 -2,-0.1 4,-3.2 3,-0.1 3,-0.6 0.725 89.0-173.4 17.3 48.8 -22.0 -7.3 3.9 11 11 A F H <> + 0 0 7 -3,-0.8 4,-3.4 1,-0.2 5,-0.3 0.762 66.8 42.7 -32.9 -70.3 -22.1 -5.5 7.2 12 12 A Y H 3> S+ 0 0 42 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.901 122.3 42.9 -52.7 -41.6 -18.5 -4.8 8.2 13 13 A A H <> S+ 0 0 0 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.927 113.8 49.1 -71.4 -46.3 -17.7 -3.8 4.7 14 14 A Q H X S+ 0 0 6 -4,-3.2 4,-1.6 -5,-0.3 5,-0.2 0.943 106.8 57.0 -60.8 -46.8 -20.8 -1.7 4.1 15 15 A V H >X S+ 0 0 2 -4,-3.4 4,-1.6 1,-0.2 3,-0.5 0.914 107.3 49.3 -49.1 -44.8 -20.3 0.1 7.4 16 16 A E H 3X S+ 0 0 10 -4,-1.4 4,-1.7 -5,-0.3 -1,-0.2 0.907 107.5 53.6 -60.6 -44.1 -16.8 1.1 6.0 17 17 A E H 3< S+ 0 0 11 -4,-2.1 7,-0.3 1,-0.2 6,-0.2 0.729 109.4 50.5 -62.3 -23.2 -18.4 2.3 2.8 18 18 A V H << S+ 0 0 58 -4,-1.6 -1,-0.2 -3,-0.5 -2,-0.2 0.789 109.7 48.6 -83.9 -31.1 -20.7 4.4 4.9 19 19 A L H < S+ 0 0 88 -4,-1.6 -2,-0.2 1,-0.3 -3,-0.1 0.713 130.3 22.0 -78.0 -23.2 -17.8 5.9 6.9 20 20 A N S >< S- 0 0 75 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.3 -0.710 72.9-170.9-145.0 82.8 -15.9 6.7 3.6 21 21 A P T 3 S+ 0 0 95 0, 0.0 3,-0.2 0, 0.0 -4,-0.1 0.462 71.8 86.0 -59.2 1.5 -18.6 6.8 0.8 22 22 A S T 3 S+ 0 0 68 1,-0.2 -5,-0.1 3,-0.0 -4,-0.1 0.553 83.6 59.0 -79.6 -6.8 -15.8 7.0 -1.8 23 23 A L S X S+ 0 0 9 -3,-1.7 3,-4.1 -6,-0.2 -1,-0.2 0.791 71.1 115.2 -91.8 -29.1 -15.7 3.2 -1.8 24 24 A K T 3 S+ 0 0 165 -7,-0.3 -10,-0.0 1,-0.3 -6,-0.0 -0.148 86.7 24.2 -45.4 116.2 -19.3 2.5 -2.8 25 25 A G T 3 S+ 0 0 55 1,-0.5 -1,-0.3 3,-0.0 -2,-0.1 0.229 109.5 100.8 106.6 -12.1 -19.0 0.8 -6.2 26 26 A K S < S- 0 0 97 -3,-4.1 2,-0.7 46,-0.0 -1,-0.5 -0.763 87.2 -97.8-106.7 151.6 -15.5 -0.3 -5.4 27 27 A P - 0 0 30 0, 0.0 45,-2.4 0, 0.0 2,-0.5 -0.558 46.1-170.9 -69.2 108.1 -14.3 -3.8 -4.2 28 28 A V E -e 72 0B 0 -2,-0.7 19,-1.9 43,-0.2 2,-0.5 -0.922 6.7-173.9-108.1 125.6 -14.0 -3.3 -0.4 29 29 A V E -eF 73 46B 0 43,-2.3 45,-2.1 -2,-0.5 2,-0.6 -0.913 11.7-155.7-124.0 107.3 -12.4 -6.1 1.6 30 30 A V E -eF 74 45B 0 15,-2.1 14,-2.7 -2,-0.5 15,-1.5 -0.676 27.4-177.0 -79.7 121.0 -12.4 -6.0 5.4 31 31 A C E -eF 75 43B 0 43,-3.8 45,-1.7 -2,-0.6 2,-0.4 -0.580 31.4-136.1-117.3 176.8 -9.4 -8.1 6.7 32 32 A V E - F 0 42B 55 10,-2.0 10,-1.6 43,-0.2 2,-0.4 -0.931 22.3-161.0-132.5 103.9 -7.7 -9.4 9.9 33 33 A F E - F 0 41B 79 -2,-0.4 8,-0.3 8,-0.2 5,-0.1 -0.749 10.0-160.3 -89.8 132.9 -4.0 -9.1 9.8 34 34 A S - 0 0 42 6,-2.8 7,-0.2 -2,-0.4 216,-0.2 0.652 28.7-134.4 -84.9 -14.6 -2.1 -11.3 12.2 35 35 A G S S+ 0 0 55 5,-0.8 3,-0.2 2,-0.3 6,-0.1 0.563 72.0 124.4 73.3 5.5 1.0 -9.1 12.0 36 36 A R S S- 0 0 41 1,-0.4 2,-0.2 4,-0.2 -1,-0.1 0.728 94.8 -30.3 -67.2 -19.4 3.1 -12.3 11.7 37 37 A F S > S- 0 0 122 3,-0.2 3,-0.9 0, 0.0 -1,-0.4 -0.741 94.0 -61.1 169.9 145.0 4.3 -10.6 8.5 38 38 A E T 3 S+ 0 0 163 1,-0.3 3,-0.1 -2,-0.2 -5,-0.0 -0.052 122.5 15.1 -45.8 134.2 2.7 -8.2 6.0 39 39 A D T 3 S+ 0 0 52 1,-0.3 2,-0.6 22,-0.0 23,-0.4 0.792 90.6 137.6 70.5 28.7 -0.4 -9.5 4.3 40 40 A S < + 0 0 9 -3,-0.9 -6,-2.8 21,-0.1 -5,-0.8 -0.939 41.8 60.4-106.5 120.4 -0.7 -12.3 6.8 41 41 A G E S-F 33 0B 27 -2,-0.6 20,-1.2 -8,-0.3 2,-0.3 -0.985 75.8 -88.6 162.3-155.9 -4.3 -12.8 7.9 42 42 A A E -FG 32 60B 28 -10,-1.6 -10,-2.0 -2,-0.3 2,-0.4 -0.975 35.6 -95.5-149.3 158.5 -7.6 -13.6 6.4 43 43 A V E -F 31 0B 4 16,-2.5 15,-2.6 -2,-0.3 -12,-0.3 -0.634 27.9-173.4 -77.6 127.6 -10.6 -11.9 4.9 44 44 A A E - 0 0 25 -14,-2.7 2,-0.3 -2,-0.4 -13,-0.2 0.915 68.1 -23.0 -84.7 -50.2 -13.4 -11.2 7.4 45 45 A T E -F 30 0B 16 -15,-1.5 -15,-2.1 11,-0.1 -1,-0.3 -0.979 57.2-160.5-158.6 150.5 -16.0 -10.0 4.8 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 -33,-0.1 -0.905 23.1-115.4-130.2 159.2 -16.1 -8.5 1.3 47 47 A N >> - 0 0 3 -19,-1.9 4,-2.9 -2,-0.3 3,-0.9 -0.374 43.9 -91.2 -85.8 176.1 -18.7 -6.6 -0.6 48 48 A Y H 3> S+ 0 0 64 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.672 123.9 60.2 -60.6 -18.1 -20.4 -7.9 -3.6 49 49 A E H 34 S+ 0 0 61 -23,-0.2 -1,-0.2 2,-0.2 6,-0.1 0.848 112.7 37.2 -77.1 -34.4 -17.8 -6.3 -5.9 50 50 A A H X4>S+ 0 0 0 -3,-0.9 3,-1.9 -22,-0.2 5,-1.5 0.922 115.2 55.7 -78.9 -50.0 -15.1 -8.3 -4.3 51 51 A R H ><5S+ 0 0 83 -4,-2.9 3,-2.2 1,-0.3 -2,-0.2 0.809 98.1 60.4 -51.5 -44.3 -17.2 -11.4 -3.9 52 52 A K T 3<5S+ 0 0 142 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.1 0.430 104.5 52.5 -70.9 4.0 -18.2 -11.7 -7.5 53 53 A F T < 5S- 0 0 109 -3,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.249 130.4 -90.9-119.0 9.6 -14.5 -12.1 -8.3 54 54 A G T < 5S+ 0 0 38 -3,-2.2 2,-0.7 1,-0.3 -3,-0.2 0.473 82.1 133.8 98.5 2.7 -14.0 -14.9 -5.8 55 55 A V < + 0 0 0 -5,-1.5 2,-0.3 -8,-0.1 -1,-0.3 -0.803 29.2 160.3 -90.3 115.3 -13.0 -13.0 -2.7 56 56 A K > - 0 0 135 -2,-0.7 3,-1.4 -3,-0.1 -13,-0.3 -0.887 47.3 -74.6-132.6 163.7 -14.9 -14.4 0.2 57 57 A A T 3 S+ 0 0 64 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.334 111.6 29.9 -58.9 124.8 -14.7 -14.5 4.0 58 58 A G T 3 S+ 0 0 58 -15,-2.6 -1,-0.2 1,-0.4 -14,-0.1 0.174 82.5 118.0 116.3 -23.3 -12.0 -16.9 5.2 59 59 A I S < S- 0 0 35 -3,-1.4 -16,-2.5 1,-0.1 -1,-0.4 -0.449 74.9 -88.8 -80.6 155.2 -9.3 -16.9 2.5 60 60 A P B > -G 42 0B 73 0, 0.0 4,-1.4 0, 0.0 -18,-0.3 -0.291 31.6-123.6 -60.1 144.3 -5.8 -15.7 3.2 61 61 A I H > S+ 0 0 0 -20,-1.2 4,-1.3 1,-0.2 -21,-0.1 0.828 110.0 58.3 -60.3 -28.8 -5.3 -12.0 2.6 62 62 A V H >> S+ 0 0 61 -23,-0.4 4,-1.5 -21,-0.3 3,-0.8 0.965 104.7 44.5 -65.8 -55.5 -2.5 -13.0 0.1 63 63 A E H 3> S+ 0 0 105 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.756 110.6 59.1 -63.3 -20.6 -4.5 -15.1 -2.2 64 64 A A H 3X S+ 0 0 0 -4,-1.4 4,-2.1 1,-0.2 -1,-0.3 0.834 104.2 49.2 -76.0 -32.2 -7.2 -12.4 -2.1 65 65 A K H << S+ 0 0 64 -4,-1.3 -2,-0.2 -3,-0.8 -1,-0.2 0.763 101.9 62.2 -78.2 -25.8 -4.7 -9.8 -3.4 66 66 A K H < S+ 0 0 162 -4,-1.5 -1,-0.2 2,-0.2 -2,-0.2 0.832 112.1 38.8 -66.9 -31.8 -3.7 -12.0 -6.2 67 67 A I H < S+ 0 0 80 -4,-0.8 -2,-0.2 1,-0.2 -3,-0.1 0.969 137.2 14.2 -79.0 -65.4 -7.3 -11.9 -7.5 68 68 A L >< + 0 0 27 -4,-2.1 3,-1.7 1,-0.1 -1,-0.2 -0.627 68.9 165.5-113.0 73.4 -8.1 -8.2 -6.8 69 69 A P T 3 S+ 0 0 82 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.661 77.4 53.0 -59.9 -18.2 -4.7 -6.5 -6.0 70 70 A N T 3 S+ 0 0 157 -3,-0.1 2,-0.2 2,-0.1 -5,-0.1 0.066 82.6 113.2-107.5 22.2 -6.3 -3.1 -6.4 71 71 A A S < S- 0 0 13 -3,-1.7 2,-1.1 -6,-0.1 -43,-0.2 -0.497 79.5 -99.0 -88.1 165.0 -9.2 -3.5 -4.0 72 72 A V E -e 28 0B 39 -45,-2.4 -43,-2.3 -2,-0.2 2,-0.7 -0.740 38.7-164.4 -88.5 99.0 -9.4 -1.5 -0.8 73 73 A Y E -e 29 0B 32 -2,-1.1 -43,-0.2 -45,-0.2 -45,-0.1 -0.754 12.7-177.4 -87.0 112.1 -8.1 -3.9 2.0 74 74 A L E -e 30 0B 40 -45,-2.1 -43,-3.8 -2,-0.7 2,-0.1 -0.889 24.9-115.7-115.4 145.0 -9.1 -2.5 5.4 75 75 A P E -e 31 0B 72 0, 0.0 -43,-0.2 0, 0.0 2,-0.2 -0.395 43.2 -90.9 -74.4 148.6 -8.3 -3.8 8.9 76 76 A M - 0 0 75 -45,-1.7 2,-0.3 -2,-0.1 3,-0.1 -0.388 37.3-179.1 -66.7 131.0 -11.1 -5.0 11.2 77 77 A R > + 0 0 91 -2,-0.2 4,-1.8 1,-0.1 5,-0.2 -0.678 10.0 167.7-128.1 71.3 -12.7 -2.4 13.5 78 78 A K H > S+ 0 0 58 -2,-0.3 4,-2.7 1,-0.2 -1,-0.1 0.876 71.3 61.7 -53.8 -44.4 -15.2 -4.5 15.3 79 79 A E H > S+ 0 0 124 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.940 104.0 47.5 -49.8 -58.5 -15.8 -1.8 17.8 80 80 A V H > S+ 0 0 44 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.945 113.7 47.6 -49.7 -54.5 -17.1 0.7 15.2 81 81 A Y H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.3 0.828 108.4 58.6 -56.6 -34.4 -19.4 -2.0 13.7 82 82 A Q H X S+ 0 0 55 -4,-2.7 4,-2.8 -3,-0.2 -1,-0.2 0.971 107.9 42.2 -61.3 -54.8 -20.6 -2.8 17.2 83 83 A Q H X S+ 0 0 133 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.925 114.9 50.8 -59.5 -44.1 -21.8 0.7 18.0 84 84 A V H X S+ 0 0 11 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.905 111.5 50.0 -59.2 -40.1 -23.4 0.9 14.5 85 85 A S H X S+ 0 0 2 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.929 107.2 53.0 -62.8 -47.5 -25.0 -2.4 15.2 86 86 A S H X S+ 0 0 52 -4,-2.8 4,-3.1 1,-0.2 5,-0.3 0.938 108.6 50.2 -54.0 -50.8 -26.4 -1.4 18.6 87 87 A R H X S+ 0 0 117 -4,-2.4 4,-1.5 1,-0.3 -1,-0.2 0.924 112.3 46.4 -55.8 -47.2 -28.0 1.7 17.1 88 88 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.3 0.861 112.6 52.2 -65.3 -33.3 -29.6 -0.4 14.3 89 89 A M H X S+ 0 0 3 -4,-2.7 4,-4.1 2,-0.2 3,-0.3 0.975 109.7 45.6 -66.5 -54.1 -30.7 -2.9 16.9 90 90 A N H < S+ 0 0 87 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.775 110.2 58.5 -57.8 -24.9 -32.4 -0.3 19.2 91 91 A L H >< S+ 0 0 12 -4,-1.5 3,-0.9 -5,-0.3 -1,-0.3 0.940 113.1 36.3 -68.8 -45.6 -33.9 1.0 16.0 92 92 A L H >< S+ 0 0 1 -4,-2.0 3,-1.3 -3,-0.3 4,-0.4 0.870 101.1 77.2 -70.8 -37.9 -35.4 -2.4 15.4 93 93 A R T 3< S+ 0 0 72 -4,-4.1 -1,-0.3 1,-0.3 3,-0.2 0.541 86.1 67.1 -50.6 -6.0 -36.0 -2.7 19.1 94 94 A E T < S+ 0 0 119 -3,-0.9 -1,-0.3 -5,-0.2 -2,-0.1 -0.133 91.3 56.3-110.4 35.3 -38.9 -0.4 18.4 95 95 A Y S < S- 0 0 32 -3,-1.3 -2,-0.2 1,-0.0 -1,-0.2 0.265 131.7 -12.0-138.8 -1.8 -41.0 -2.7 16.3 96 96 A S - 0 0 4 -4,-0.4 2,-0.2 -3,-0.2 14,-0.2 -0.175 50.8-152.5 160.1 99.5 -41.2 -5.5 19.0 97 97 A E S S+ 0 0 116 1,-0.3 142,-0.1 12,-0.1 -4,-0.1 0.080 90.4 86.3 -74.6 29.9 -39.1 -5.6 22.2 98 98 A K S S+ 0 0 71 -2,-0.2 12,-1.5 12,-0.2 -1,-0.3 -0.586 70.0 129.8-123.2 55.3 -39.7 -9.3 21.8 99 99 A I E -C 109 0A 7 10,-0.2 2,-0.4 -6,-0.1 10,-0.2 -0.653 52.2-143.9-109.3 166.3 -36.7 -9.3 19.6 100 100 A E E -C 108 0A 3 8,-2.1 8,-2.9 -2,-0.2 2,-1.6 -0.949 6.0-149.9-137.8 111.9 -33.6 -11.6 19.6 101 101 A I E + 0 0 53 138,-0.9 6,-0.2 -2,-0.4 3,-0.1 -0.649 20.0 178.8 -84.9 86.2 -30.2 -10.1 18.7 102 102 A A E - 0 0 39 -2,-1.6 2,-0.3 1,-0.1 -1,-0.2 0.848 62.0 -21.1 -55.6 -42.7 -28.8 -13.3 17.2 103 103 A S E > S-C 106 0A 44 3,-1.5 3,-1.2 -3,-0.2 -1,-0.1 -0.939 84.6 -71.2-157.6 178.1 -25.5 -11.6 16.3 104 104 A I T 3 S+ 0 0 11 -2,-0.3 -15,-0.1 1,-0.3 3,-0.0 0.652 134.4 19.1 -53.9 -14.7 -23.8 -8.3 15.6 105 105 A D T 3 S+ 0 0 28 -17,-0.0 -97,-2.0 -98,-0.0 2,-0.4 0.233 113.0 76.4-143.3 14.7 -25.8 -8.2 12.3 106 106 A E E < +AC 7 103A 24 -3,-1.2 -3,-1.5 -99,-0.2 2,-0.3 -0.957 49.1 170.0-126.9 147.3 -28.7 -10.7 12.7 107 107 A A E -A 6 0A 0 -101,-1.2 -101,-2.7 -2,-0.4 2,-0.6 -0.955 23.6-144.9-160.5 137.6 -31.8 -10.1 14.6 108 108 A Y E -AC 5 100A 21 -8,-2.9 -8,-2.1 -2,-0.3 2,-0.6 -0.949 15.8-164.2-111.0 123.0 -35.1 -12.0 14.9 109 109 A L E -AC 4 99A 0 -105,-4.2 -105,-3.8 -2,-0.6 2,-0.9 -0.927 12.0-146.1-110.6 116.5 -38.2 -9.9 15.3 110 110 A D E +A 3 0A 23 -12,-1.5 4,-0.3 -2,-0.6 -107,-0.2 -0.718 24.3 169.9 -82.9 107.3 -41.4 -11.5 16.5 111 111 A I > + 0 0 0 -109,-1.9 4,-1.7 -2,-0.9 -108,-0.2 0.114 40.5 114.9-105.1 20.0 -44.2 -9.6 14.8 112 112 A S T 4 S+ 0 0 24 -110,-0.4 -1,-0.2 2,-0.2 3,-0.1 0.964 89.6 29.2 -49.4 -60.2 -46.9 -12.0 15.8 113 113 A D T 4 S+ 0 0 123 -3,-0.2 -2,-0.1 1,-0.2 -1,-0.1 0.988 114.9 56.0 -61.1 -85.7 -48.5 -9.3 17.9 114 114 A K T 4 S+ 0 0 96 -4,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.601 127.4 1.6 -23.5 -32.1 -47.6 -6.0 16.2 115 115 A V < - 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0 0 0 -6,-0.8 2,-0.5 -9,-0.1 -1,-0.2 -0.990 47.9-135.5-129.8 135.0 -27.4 0.6 5.6 139 139 A T - 0 0 26 -2,-0.4 -130,-2.4 -130,-0.2 2,-0.4 -0.814 26.9-177.6 -93.4 129.0 -29.0 -1.9 3.3 140 140 A V E -B 8 0A 0 -2,-0.5 -132,-0.2 -132,-0.2 2,-0.2 -0.993 19.3-138.6-133.7 127.9 -30.6 -4.8 5.2 141 141 A T E -B 7 0A 0 -134,-2.1 -134,-2.7 -2,-0.4 2,-0.4 -0.555 19.8-143.9 -82.2 145.1 -32.3 -7.9 3.8 142 142 A V E -Bd 6 163A 0 20,-1.3 22,-1.3 -2,-0.2 2,-0.4 -0.910 11.8-167.5-116.7 140.6 -35.5 -9.1 5.4 143 143 A G E -Bd 5 164A 0 -138,-3.0 -138,-4.2 -2,-0.4 2,-0.4 -0.969 9.4-173.8-123.2 138.3 -36.7 -12.7 6.0 144 144 A I E +Bd 4 165A 0 20,-1.0 22,-2.8 -2,-0.4 2,-0.3 -0.974 23.7 100.4-141.4 126.1 -40.3 -13.5 7.0 145 145 A S E S-Bd 3 166A 0 -142,-2.3 -142,-3.5 -2,-0.4 22,-0.1 -0.955 74.2 -58.8-173.0-168.4 -42.0 -16.7 8.0 146 146 A K S S+ 0 0 42 20,-0.5 2,-0.3 -2,-0.3 -142,-0.1 0.803 109.4 17.6 -62.5 -39.4 -43.4 -19.1 10.7 147 147 A N S >> S- 0 0 3 -144,-0.1 4,-1.9 87,-0.1 3,-0.9 -0.940 80.6-103.3-138.6 162.6 -40.1 -19.7 12.5 148 148 A K H 3> S+ 0 0 10 87,-0.5 4,-2.3 -2,-0.3 5,-0.2 0.854 114.6 58.8 -47.9 -43.5 -36.6 -18.2 12.9 149 149 A V H 3> S+ 0 0 6 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.856 110.9 38.4 -61.0 -37.2 -35.0 -20.8 10.7 150 150 A F H <> S+ 0 0 2 -3,-0.9 4,-2.2 2,-0.2 -6,-0.2 0.781 112.0 55.0 -86.8 -26.3 -37.1 -20.0 7.6 151 151 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.943 110.7 49.7 -66.6 -43.8 -37.2 -16.3 8.0 152 152 A K H X S+ 0 0 36 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.919 110.9 48.2 -57.5 -46.0 -33.4 -16.6 8.1 153 153 A I H X S+ 0 0 4 -4,-1.5 4,-1.0 1,-0.2 -1,-0.2 0.853 106.3 59.1 -63.3 -35.6 -33.5 -18.7 4.9 154 154 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 3,-0.4 0.916 107.1 45.2 -59.2 -48.5 -35.8 -16.2 3.3 155 155 A A H >X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 3,-1.2 0.948 106.6 57.2 -63.6 -50.1 -33.2 -13.4 3.7 156 156 A D H 3< S+ 0 0 69 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.761 111.0 48.5 -53.5 -22.4 -30.2 -15.5 2.5 157 157 A M H 3< S+ 0 0 85 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.739 113.8 42.3 -89.4 -24.6 -32.3 -15.9 -0.6 158 158 A A H << S+ 0 0 27 -3,-1.2 5,-0.2 -4,-1.0 -2,-0.2 0.617 92.5 167.2 -98.0 -16.8 -33.2 -12.3 -1.2 159 159 A K < + 0 0 90 -4,-2.1 2,-0.1 -5,-0.1 4,-0.0 -0.133 34.6 42.3 -59.8 151.2 -29.9 -10.6 -0.5 160 160 A P S S- 0 0 54 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.511 127.9 -23.2 -92.5-179.7 -28.7 -8.0 -0.8 161 161 A N S S+ 0 0 73 -22,-0.2 2,-0.2 1,-0.1 -20,-0.1 0.796 111.1 114.8 33.3 43.9 -30.9 -5.0 0.0 162 162 A G - 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0 0 15 -3,-1.5 -1,-0.2 -5,-0.1 2,-0.0 -0.950 46.3-170.5-114.1 107.7 -25.2 -26.3 9.0 187 187 A G > - 0 0 40 -2,-0.6 4,-2.4 -3,-0.1 5,-0.2 -0.148 40.7 -87.5 -87.1-173.1 -21.5 -25.7 8.1 188 188 A N H > S+ 0 0 132 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.921 127.0 51.1 -61.3 -46.8 -19.4 -27.3 5.5 189 189 A I H > S+ 0 0 120 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.931 113.5 43.6 -58.5 -48.4 -18.4 -30.1 7.8 190 190 A T H > S+ 0 0 18 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.854 112.1 53.0 -68.0 -35.3 -21.9 -30.9 8.7 191 191 A A H >X S+ 0 0 5 -4,-2.4 3,-1.2 2,-0.2 4,-1.0 0.981 109.9 48.9 -61.7 -55.2 -23.2 -30.7 5.1 192 192 A E H >X S+ 0 0 114 -4,-2.7 3,-2.2 1,-0.3 4,-1.3 0.930 105.7 55.2 -48.5 -59.0 -20.5 -33.1 3.9 193 193 A K H 3X S+ 0 0 84 -4,-2.2 4,-1.5 1,-0.3 -1,-0.3 0.806 105.2 56.6 -46.5 -31.3 -21.2 -35.7 6.6 194 194 A L H S+ 0 0 0 -3,-1.2 5,-4.0 -4,-1.1 4,-0.5 0.759 96.0 62.3 -74.8 -25.5 -24.8 -35.6 5.3 195 195 A K H X<5S+ 0 0 86 -3,-2.2 3,-0.9 -4,-1.0 -1,-0.2 0.952 104.9 49.8 -61.8 -48.2 -23.8 -36.5 1.8 196 196 A K H 3<5S+ 0 0 170 -4,-1.3 -2,-0.2 1,-0.3 -3,-0.1 0.979 107.6 48.6 -51.8 -75.4 -22.5 -39.8 3.2 197 197 A L H 3<5S- 0 0 16 -4,-1.5 -1,-0.3 1,-0.2 -2,-0.2 0.588 126.5-101.4 -44.7 -11.3 -25.6 -40.8 5.2 198 198 A G T <<5S+ 0 0 42 -3,-0.9 2,-0.4 -4,-0.5 -3,-0.2 0.827 75.9 138.6 91.4 36.6 -27.5 -40.0 2.0 199 199 A I < + 0 0 0 -5,-4.0 -1,-0.3 -8,-0.1 3,-0.1 -0.953 9.0 138.0-120.9 132.6 -28.9 -36.6 2.8 200 200 A N + 0 0 70 -2,-0.4 -20,-2.3 1,-0.3 2,-0.3 0.364 69.1 53.2-142.9 -11.6 -29.1 -33.6 0.5 201 201 A K B >> S-H 179 0C 66 -22,-0.3 4,-0.7 -21,-0.1 3,-0.6 -0.952 83.2-118.9-129.8 148.4 -32.6 -32.2 1.3 202 202 A L G >4 S+ 0 0 0 -24,-1.1 3,-0.7 -28,-0.3 27,-0.3 0.848 115.1 58.6 -53.1 -32.7 -34.1 -31.3 4.6 203 203 A V G >4 S+ 0 0 48 -28,-1.8 3,-2.5 -29,-0.3 4,-0.3 0.888 87.8 70.1 -66.3 -42.2 -36.7 -34.0 3.8 204 204 A D G X> S+ 0 0 44 -3,-0.6 3,-2.2 1,-0.3 4,-1.2 0.773 80.2 77.9 -47.1 -31.1 -34.2 -36.9 3.5 205 205 A T G << S+ 0 0 2 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.1 0.571 87.7 62.1 -58.7 -5.1 -33.7 -36.6 7.3 206 206 A L G <4 S+ 0 0 89 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.689 99.2 51.7 -93.8 -21.1 -37.0 -38.5 7.5 207 207 A S T <4 S+ 0 0 98 -3,-2.2 -2,-0.2 -4,-0.3 -3,-0.1 0.963 95.4 76.8 -77.1 -58.0 -35.9 -41.6 5.7 208 208 A I S < S- 0 0 41 -4,-1.2 2,-0.5 1,-0.1 -10,-0.0 -0.080 93.1 -99.3 -54.9 151.6 -32.8 -42.4 7.8 209 209 A E >> - 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