==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 25-MAR-13 4JV0 . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR S.BANERJEE,G.SHANMUGAM,M.P.STONE . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18058.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 249 73.0 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 . 1 0.3 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 . 1 0.3 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 . 20 5.9 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 . 114 33.4 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 1 3 0 1 2 0 0 0 1 0 0 1 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 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 94 0, 0.0 2,-0.3 0, 0.0 146,-0.1 0.000 360.0 360.0 360.0 118.0 0.1 86.4 65.4 2 2 A I - 0 0 24 2,-0.0 109,-1.6 115,-0.0 2,-0.4 -0.902 360.0-161.7-148.3 109.4 2.2 88.7 63.1 3 3 A V E -AB 110 145A 0 142,-4.6 142,-2.1 -2,-0.3 2,-0.5 -0.793 3.2-161.5-106.0 133.6 5.9 89.3 63.4 4 4 A L E -AB 109 144A 0 105,-2.4 105,-3.3 -2,-0.4 2,-0.4 -0.938 9.8-166.6-111.6 129.1 8.0 92.1 61.9 5 5 A F E -AB 108 143A 0 138,-2.6 138,-2.4 -2,-0.5 2,-0.4 -0.962 2.1-160.7-125.2 129.0 11.7 91.8 61.6 6 6 A V E -AB 107 142A 0 101,-3.1 101,-1.2 -2,-0.4 2,-0.4 -0.909 7.7-177.8-119.0 132.3 14.2 94.5 60.9 7 7 A D E -AB 106 141A 4 134,-2.5 134,-1.4 -2,-0.4 99,-0.2 -0.832 22.6-137.4-138.5 95.2 17.8 94.2 59.6 8 8 A F E > - B 0 140A 1 97,-1.5 3,-1.0 -2,-0.4 132,-0.3 -0.247 35.4-114.1 -57.3 122.3 20.1 97.2 59.1 9 9 A D T 3 S- 0 0 5 130,-1.9 5,-0.3 1,-0.2 130,-0.1 -0.222 78.5 -22.8 -70.3 145.5 21.9 96.7 55.7 10 10 A Y T >> S- 0 0 42 3,-0.1 4,-2.5 1,-0.1 3,-0.9 0.761 88.9-169.3 24.1 51.5 25.7 96.1 55.5 11 11 A F H <> + 0 0 8 -3,-1.0 4,-2.0 1,-0.3 5,-0.2 0.685 65.9 40.9 -49.3 -52.8 25.6 97.8 58.8 12 12 A Y H 3> S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.899 120.7 45.6 -68.2 -35.6 29.1 98.6 59.9 13 13 A A H <> S+ 0 0 0 -3,-0.9 4,-1.5 2,-0.2 3,-0.2 0.932 111.0 51.8 -70.5 -45.6 30.0 99.7 56.4 14 14 A Q H X S+ 0 0 5 -4,-2.5 4,-2.7 -5,-0.3 -1,-0.2 0.816 107.2 55.3 -59.5 -32.6 26.8 101.8 55.9 15 15 A V H X S+ 0 0 0 -4,-2.0 4,-2.3 -5,-0.3 -1,-0.2 0.878 105.6 49.7 -69.4 -36.2 27.6 103.5 59.2 16 16 A E H < S+ 0 0 9 -4,-1.4 -2,-0.2 -3,-0.2 -1,-0.2 0.777 112.8 50.3 -71.2 -24.5 31.0 104.5 57.9 17 17 A E H >< S+ 0 0 7 -4,-1.5 3,-1.5 2,-0.2 6,-0.3 0.923 108.0 49.7 -71.8 -50.8 29.2 105.8 54.8 18 18 A V H 3< S+ 0 0 36 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.943 111.9 51.2 -52.5 -46.5 26.7 107.8 56.8 19 19 A L T 3< S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.545 129.8 16.5 -70.0 -8.9 29.6 109.3 58.7 20 20 A N X - 0 0 76 -3,-1.5 3,-2.7 -4,-0.2 -1,-0.3 -0.448 69.9-169.9-165.3 78.4 31.5 110.3 55.5 21 21 A P G > S+ 0 0 74 0, 0.0 3,-1.8 0, 0.0 -3,-0.1 0.618 76.9 82.3 -61.4 -17.8 29.1 110.2 52.5 22 22 A S G 3 S+ 0 0 73 1,-0.3 4,-0.2 3,-0.1 -5,-0.1 0.775 82.9 67.6 -49.6 -30.3 32.0 110.6 50.1 23 23 A L G X S+ 0 0 10 -3,-2.7 3,-1.5 -6,-0.3 -1,-0.3 0.717 73.3 108.7 -69.0 -27.5 32.3 106.9 50.5 24 24 A K T < S+ 0 0 120 -3,-1.8 2,-0.0 1,-0.2 -10,-0.0 -0.172 81.1 23.8 -49.1 143.2 29.0 106.1 48.8 25 25 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.2 3,-0.0 -2,-0.1 -0.056 105.4 98.2 85.8 -33.5 29.4 104.4 45.4 26 26 A K S < S- 0 0 101 -3,-1.5 2,-0.4 -4,-0.2 -1,-0.2 -0.630 86.4-103.7 -87.1 144.4 32.9 103.1 46.4 27 27 A P - 0 0 33 0, 0.0 45,-2.7 0, 0.0 2,-0.4 -0.542 42.1-164.0 -67.2 120.8 33.5 99.6 47.6 28 28 A V E -e 72 0B 0 -2,-0.4 19,-2.0 43,-0.2 2,-0.5 -0.937 11.9-171.6-115.0 131.2 34.0 99.8 51.4 29 29 A V E -eF 73 46B 0 43,-3.3 45,-2.2 -2,-0.4 2,-0.7 -0.972 11.4-153.6-123.9 114.5 35.5 97.1 53.6 30 30 A V E -eF 74 45B 0 15,-3.2 14,-2.2 -2,-0.5 15,-1.4 -0.796 27.0-165.0 -92.0 115.8 35.4 97.4 57.4 31 31 A C E -eF 75 43B 0 43,-3.7 45,-1.8 -2,-0.7 2,-0.6 -0.705 28.0-144.9-113.1 154.9 38.3 95.4 58.8 32 32 A V E - F 0 42B 65 10,-2.5 10,-1.1 -2,-0.3 2,-0.4 -0.870 24.7-151.5-112.8 95.4 39.6 94.0 62.0 33 33 A F E - F 0 41B 88 -2,-0.6 8,-0.3 8,-0.2 5,-0.0 -0.504 11.7-167.2 -72.9 120.5 43.4 94.3 62.1 34 34 A S - 0 0 29 6,-1.4 7,-0.2 -2,-0.4 -1,-0.2 0.752 28.8-139.8 -79.1 -21.9 45.0 91.6 64.2 35 35 A G + 0 0 42 5,-0.9 6,-0.1 2,-0.2 3,-0.1 0.699 68.3 114.2 73.7 17.0 48.3 93.5 64.0 36 36 A R S S- 0 0 61 215,-0.1 216,-0.1 2,-0.0 3,-0.1 0.935 90.1 -6.6 -72.6 -80.4 50.6 90.5 63.6 37 37 A F S > S- 0 0 136 1,-0.2 3,-0.7 4,-0.0 2,-0.4 -0.089 105.6 -60.5 -89.4-163.9 51.8 91.4 60.1 38 38 A E T 3 S+ 0 0 164 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 -0.740 125.8 1.2 -76.6 132.2 50.7 94.1 57.7 39 39 A D T 3 S+ 0 0 44 -2,-0.4 23,-0.6 1,-0.2 22,-0.3 0.716 87.2 155.5 62.2 18.0 47.0 93.6 57.0 40 40 A S < + 0 0 3 -3,-0.7 -6,-1.4 21,-0.1 -5,-0.9 -0.651 39.4 79.0 -68.3 138.0 46.8 90.6 59.2 41 41 A G E S-F 33 0B 23 -2,-0.3 20,-0.9 -8,-0.3 21,-0.3 -0.955 72.3-101.7 152.9-172.1 43.2 90.5 60.1 42 42 A A E -FG 32 60B 38 -10,-1.1 -10,-2.5 -2,-0.3 2,-0.5 -0.902 36.1 -94.5-140.6 168.6 39.8 89.5 58.8 43 43 A V E -F 31 0B 5 16,-1.9 15,-1.1 13,-0.3 -12,-0.2 -0.762 24.5-172.5 -88.4 126.6 36.9 91.3 57.2 44 44 A A E - 0 0 28 -14,-2.2 2,-0.3 -2,-0.5 -13,-0.2 0.897 68.8 -39.9 -81.6 -45.0 34.1 92.3 59.5 45 45 A T E -F 30 0B 20 -15,-1.4 -15,-3.2 11,-0.1 -1,-0.4 -0.953 50.8-150.9-169.8 165.6 31.8 93.4 56.7 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.963 27.3-107.0-137.0 154.2 31.7 95.2 53.3 47 47 A N >> - 0 0 0 -19,-2.0 4,-2.3 -2,-0.3 3,-0.5 -0.272 44.4 -98.5 -71.4 171.1 29.1 97.2 51.4 48 48 A Y H 3> S+ 0 0 60 1,-0.3 4,-1.7 2,-0.2 5,-0.1 0.785 121.7 68.8 -66.8 -25.1 27.4 95.6 48.4 49 49 A E H 34 S+ 0 0 56 1,-0.2 3,-0.3 -23,-0.2 -1,-0.3 0.960 114.5 27.5 -51.5 -54.3 29.8 97.4 46.1 50 50 A A H X4>S+ 0 0 0 -3,-0.5 3,-1.6 -22,-0.2 5,-1.0 0.801 114.7 65.5 -75.5 -30.3 32.5 95.2 47.5 51 51 A R H ><5S+ 0 0 82 -4,-2.3 3,-1.2 1,-0.3 -1,-0.2 0.746 88.3 66.5 -74.1 -21.9 30.3 92.3 48.3 52 52 A K T 3<5S+ 0 0 145 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.1 0.543 98.9 54.1 -76.2 -7.3 29.4 91.5 44.7 53 53 A F T < 5S- 0 0 121 -3,-1.6 -1,-0.3 2,-0.2 -2,-0.2 0.175 127.2 -91.3-109.1 13.3 33.1 90.5 44.0 54 54 A G T < 5S+ 0 0 38 -3,-1.2 2,-0.5 1,-0.3 -3,-0.2 0.156 82.5 134.5 99.5 -20.2 33.4 88.0 46.8 55 55 A V < + 0 0 0 -5,-1.0 2,-0.3 9,-0.1 -1,-0.3 -0.524 33.7 143.2 -67.7 115.0 34.7 90.2 49.5 56 56 A K > - 0 0 121 -2,-0.5 3,-1.9 -3,-0.1 2,-0.3 -0.950 52.8 -53.3-154.8 174.3 32.7 89.3 52.6 57 57 A A T 3 S+ 0 0 66 -2,-0.3 -13,-0.2 1,-0.3 -12,-0.1 -0.237 115.9 17.4 -63.8 108.0 32.7 88.8 56.4 58 58 A G T 3 S+ 0 0 58 -15,-1.1 -1,-0.3 1,-0.5 -14,-0.1 0.384 85.3 118.8 116.4 -3.6 35.4 86.4 57.5 59 59 A I S < S- 0 0 29 -3,-1.9 -16,-1.9 1,-0.1 -1,-0.5 -0.679 76.4 -95.9 -82.9 148.3 37.8 86.3 54.6 60 60 A P B > -G 42 0B 62 0, 0.0 4,-1.1 0, 0.0 -18,-0.3 -0.195 26.5-121.0 -59.0 160.3 41.3 87.5 55.5 61 61 A I H > S+ 0 0 0 -20,-0.9 4,-1.8 -22,-0.3 5,-0.2 0.859 113.6 58.1 -75.0 -34.4 42.1 91.1 54.8 62 62 A V H > S+ 0 0 52 -23,-0.6 4,-1.2 -21,-0.3 -1,-0.2 0.901 105.5 50.9 -55.9 -41.3 45.0 90.0 52.6 63 63 A E H > S+ 0 0 92 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.837 108.2 52.0 -66.3 -31.0 42.6 88.0 50.5 64 64 A A H X S+ 0 0 0 -4,-1.1 4,-2.5 1,-0.2 3,-0.3 0.821 105.5 54.4 -78.9 -28.1 40.3 91.0 50.1 65 65 A K H < S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.782 102.7 57.6 -71.7 -25.5 43.1 93.2 48.9 66 66 A K H < S+ 0 0 150 -4,-1.2 -1,-0.2 2,-0.2 -2,-0.2 0.708 115.4 37.5 -74.0 -22.0 44.0 90.7 46.1 67 67 A I H < S+ 0 0 79 -4,-0.6 -2,-0.2 -3,-0.3 -3,-0.1 0.889 133.9 19.8 -91.9 -54.0 40.4 91.0 44.8 68 68 A L >< + 0 0 26 -4,-2.5 3,-2.4 1,-0.1 -2,-0.2 -0.500 65.4 169.8-118.7 63.1 39.8 94.7 45.3 69 69 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.617 80.2 44.9 -55.3 -12.8 43.2 96.4 45.7 70 70 A N T 3 S+ 0 0 154 -3,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.212 83.5 115.1-118.2 18.8 41.6 99.9 45.5 71 71 A A S < S- 0 0 11 -3,-2.4 2,-0.5 1,-0.1 -43,-0.2 -0.356 75.8 -97.7 -74.9 164.3 38.6 99.5 47.8 72 72 A V E -e 28 0B 39 -45,-2.7 -43,-3.3 -49,-0.1 2,-0.5 -0.755 36.4-160.3 -90.2 128.5 38.5 101.6 50.9 73 73 A Y E -e 29 0B 39 -2,-0.5 -43,-0.2 -45,-0.2 -45,-0.0 -0.950 10.9-177.9-117.3 116.0 39.6 99.7 54.0 74 74 A L E -e 30 0B 39 -45,-2.2 -43,-3.7 -2,-0.5 2,-0.1 -0.935 26.3-121.1-119.6 136.7 38.6 101.0 57.4 75 75 A P E -e 31 0B 70 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.413 45.7 -92.3 -70.3 148.1 39.4 99.7 60.9 76 76 A M - 0 0 62 -45,-1.8 2,-0.5 -2,-0.1 -43,-0.0 -0.455 34.8-172.0 -70.7 128.4 36.4 98.7 63.0 77 77 A R > + 0 0 102 -2,-0.2 4,-1.3 1,-0.2 3,-0.3 -0.792 14.3 168.7-119.7 85.6 34.9 101.4 65.3 78 78 A K H > + 0 0 93 -2,-0.5 4,-3.5 1,-0.3 5,-0.2 0.897 69.1 57.8 -73.1 -52.6 32.4 99.4 67.3 79 79 A E H > S+ 0 0 119 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.769 107.2 53.7 -42.8 -38.6 31.5 101.8 70.1 80 80 A V H > S+ 0 0 44 -3,-0.3 4,-2.1 2,-0.2 3,-0.4 0.951 111.9 41.2 -65.2 -50.4 30.4 104.1 67.3 81 81 A Y H X S+ 0 0 0 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.829 109.8 62.2 -69.6 -30.3 28.1 101.5 65.6 82 82 A Q H X S+ 0 0 89 -4,-3.5 4,-1.7 2,-0.2 -1,-0.2 0.879 107.4 42.4 -60.2 -39.3 27.0 100.5 69.0 83 83 A Q H X S+ 0 0 123 -4,-1.2 4,-2.1 -3,-0.4 -2,-0.2 0.957 111.6 51.2 -77.1 -46.8 25.6 104.0 69.6 84 84 A V H X S+ 0 0 8 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.895 109.8 54.0 -55.2 -39.2 24.0 104.5 66.2 85 85 A S H X S+ 0 0 4 -4,-2.3 4,-2.4 1,-0.2 3,-0.3 0.944 105.0 52.6 -58.6 -51.2 22.3 101.2 66.7 86 86 A S H X S+ 0 0 48 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.913 105.4 55.0 -50.0 -48.7 20.9 102.2 70.1 87 87 A R H X S+ 0 0 114 -4,-2.1 4,-1.2 1,-0.3 -1,-0.2 0.894 110.3 45.9 -58.8 -38.5 19.3 105.3 68.6 88 88 A I H X S+ 0 0 0 -4,-1.6 4,-1.5 -3,-0.3 -1,-0.3 0.884 107.6 55.6 -72.9 -37.7 17.6 103.3 66.0 89 89 A M H >X S+ 0 0 7 -4,-2.4 4,-2.0 1,-0.2 3,-1.1 0.978 104.7 55.3 -56.3 -51.3 16.3 100.7 68.5 90 90 A N H 3< S+ 0 0 80 -4,-2.7 -1,-0.2 1,-0.3 4,-0.2 0.826 102.8 57.2 -47.7 -38.3 14.8 103.6 70.4 91 91 A L H >< S+ 0 0 17 -4,-1.2 3,-1.0 1,-0.2 -1,-0.3 0.891 108.0 45.1 -60.5 -42.7 12.9 104.6 67.3 92 92 A L H XX S+ 0 0 0 -4,-1.5 3,-2.9 -3,-1.1 4,-1.1 0.798 96.4 74.8 -74.2 -30.1 11.3 101.2 66.9 93 93 A R T 3< S+ 0 0 128 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.579 93.4 56.5 -56.1 -9.6 10.4 101.1 70.6 94 94 A E T <4 S+ 0 0 145 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.425 100.1 56.9-104.1 -4.7 7.7 103.6 69.7 95 95 A Y T <4 S- 0 0 28 -3,-2.9 2,-0.3 1,-0.4 -2,-0.2 0.668 126.2 -10.2 -97.8 -23.3 6.2 101.3 67.2 96 96 A S < - 0 0 1 -4,-1.1 -1,-0.4 1,-0.1 15,-0.1 -0.974 45.6-141.3-167.3 161.3 5.7 98.6 69.8 97 97 A E S S+ 0 0 138 -2,-0.3 2,-1.1 13,-0.2 -1,-0.1 0.687 90.3 80.2 -99.8 -24.8 6.5 97.6 73.3 98 98 A K + 0 0 103 12,-0.4 12,-2.4 2,-0.0 2,-0.4 -0.745 67.5 148.0 -84.5 98.8 6.9 93.9 72.5 99 99 A I E -C 109 0A 13 -2,-1.1 2,-0.6 10,-0.2 10,-0.2 -0.975 34.9-161.2-147.2 119.4 10.5 94.1 71.0 100 100 A E E -C 108 0A 1 8,-2.3 8,-1.7 -2,-0.4 2,-1.1 -0.896 11.5-150.7-104.5 118.4 13.4 91.7 71.0 101 101 A I E +C 107 0A 54 -2,-0.6 6,-0.2 137,-0.2 3,-0.0 -0.717 21.0 176.4 -91.2 97.6 16.8 93.1 70.3 102 102 A A - 0 0 20 -2,-1.1 2,-0.2 4,-0.5 -1,-0.2 0.859 57.0 -22.7 -75.1 -40.2 18.5 90.1 68.6 103 103 A S S S- 0 0 45 3,-1.1 3,-0.4 0, 0.0 -1,-0.0 -0.781 85.7 -68.7-150.1-167.3 21.9 91.5 67.7 104 104 A I S S+ 0 0 36 -2,-0.2 3,-0.0 1,-0.2 -2,-0.0 0.657 133.8 23.7 -65.3 -12.0 23.6 94.7 67.0 105 105 A D S S+ 0 0 29 -98,-0.0 -97,-1.5 -16,-0.0 2,-0.3 0.229 109.3 73.9-143.1 12.6 21.6 95.0 63.9 106 106 A E E +A 7 0A 33 -3,-0.4 -3,-1.1 -99,-0.2 -4,-0.5 -0.951 42.3 165.0-135.1 148.3 18.4 93.0 64.2 107 107 A A E -AC 6 101A 0 -101,-1.2 -101,-3.1 -2,-0.3 2,-0.4 -0.939 20.0-149.0-158.2 145.2 15.1 93.3 66.0 108 108 A Y E -AC 5 100A 21 -8,-1.7 -8,-2.3 -2,-0.3 2,-0.4 -0.949 12.9-158.1-112.5 141.7 11.7 91.7 65.9 109 109 A L E -AC 4 99A 0 -105,-3.3 -105,-2.4 -2,-0.4 2,-0.7 -0.976 14.8-138.3-120.2 132.7 8.5 93.5 66.8 110 110 A D E +A 3 0A 19 -12,-2.4 -12,-0.4 -2,-0.4 -13,-0.2 -0.781 28.9 171.6 -79.7 114.3 5.2 92.0 67.9 111 111 A I > + 0 0 0 -109,-1.6 4,-0.7 -2,-0.7 3,-0.2 -0.239 41.0 107.6-125.8 46.8 2.7 94.1 66.1 112 112 A S T >4 S+ 0 0 45 2,-0.2 3,-0.7 1,-0.2 -1,-0.1 0.917 81.9 52.0 -79.6 -51.0 -0.6 92.2 66.7 113 113 A D T 34 S+ 0 0 128 1,-0.2 -1,-0.2 -3,-0.1 3,-0.1 0.278 118.6 40.1 -64.9 10.2 -1.9 94.9 69.1 114 114 A K T 34 S+ 0 0 85 -3,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.537 112.6 44.1-131.9 -21.7 -1.1 97.5 66.4 115 115 A V << - 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0 0 0 -6,-1.1 2,-0.3 -9,-0.1 -1,-0.2 -0.943 50.3-140.6-124.1 133.8 20.3 104.2 57.1 139 139 A T - 0 0 25 -2,-0.4 -130,-1.9 -130,-0.1 2,-0.3 -0.718 22.9-178.6 -95.2 140.2 18.6 101.6 55.0 140 140 A V E -B 8 0A 1 -2,-0.3 2,-0.4 -132,-0.3 -132,-0.2 -0.862 24.3-124.0-132.8 159.6 17.2 98.4 56.5 141 141 A T E -B 7 0A 0 -134,-1.4 -134,-2.5 -2,-0.3 2,-0.4 -0.936 21.8-155.9-110.9 140.9 15.4 95.4 55.2 142 142 A V E -Bd 6 163A 1 20,-2.2 22,-1.5 -2,-0.4 2,-0.4 -0.967 9.3-174.5-119.7 125.2 12.0 94.4 56.7 143 143 A G E -Bd 5 164A 0 -138,-2.4 -138,-2.6 -2,-0.4 2,-0.4 -0.941 8.2-163.0-120.7 144.2 10.6 90.8 56.6 144 144 A I E +Bd 4 165A 0 20,-1.7 22,-3.3 -2,-0.4 2,-0.3 -0.983 23.7 115.0-137.8 131.8 7.1 89.9 57.8 145 145 A S E -B 3 0A 0 -142,-2.1 -142,-4.6 -2,-0.4 22,-0.1 -0.916 69.3 -67.6-166.4-162.0 5.3 86.7 58.9 146 146 A K S S+ 0 0 33 20,-0.3 2,-0.3 -144,-0.3 -142,-0.1 0.770 108.9 11.8 -77.4 -26.0 3.5 84.7 61.6 147 147 A N S > S- 0 0 1 -144,-0.2 4,-1.7 -145,-0.1 -144,-0.1 -0.835 83.9 -93.8-141.9-175.9 6.6 84.1 63.6 148 148 A K H > S+ 0 0 14 87,-0.4 4,-2.9 -2,-0.3 5,-0.2 0.900 115.0 54.5 -70.5 -45.7 10.3 85.1 64.0 149 149 A V H > S+ 0 0 8 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.913 113.8 42.2 -59.8 -41.4 11.9 82.4 61.9 150 150 A F H > S+ 0 0 3 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.807 110.2 55.9 -80.1 -26.4 9.8 83.3 58.9 151 151 A A H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.952 110.6 47.1 -61.6 -46.5 10.1 87.0 59.4 152 152 A K H X S+ 0 0 39 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.904 111.7 49.3 -60.7 -44.4 13.9 86.5 59.3 153 153 A I H X S+ 0 0 9 -4,-2.0 4,-1.8 -5,-0.2 -1,-0.2 0.940 106.8 56.0 -63.6 -44.2 13.7 84.3 56.2 154 154 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 3,-0.3 0.920 107.4 50.9 -48.5 -48.2 11.5 86.9 54.5 155 155 A A H X S+ 0 0 0 -4,-1.9 4,-1.0 1,-0.2 -1,-0.2 0.893 103.3 56.8 -63.2 -43.9 14.2 89.4 55.1 156 156 A D H < S+ 0 0 71 -4,-2.0 3,-0.3 1,-0.2 -1,-0.2 0.871 109.9 47.0 -54.7 -38.3 17.0 87.3 53.7 157 157 A M H < S+ 0 0 100 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.938 113.9 46.5 -66.5 -45.4 15.1 87.1 50.4 158 158 A A H < S+ 0 0 22 -4,-2.0 4,-0.3 -5,-0.2 -1,-0.2 0.462 90.9 157.2 -82.3 -3.5 14.3 90.8 50.3 159 159 A K < + 0 0 71 -4,-1.0 2,-0.1 -3,-0.3 4,-0.0 -0.487 38.9 40.6 -80.9 146.8 17.8 92.1 51.1 160 160 A P S S- 0 0 58 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.582 134.3 -18.9 -94.5 174.5 19.1 94.7 50.6 161 161 A N S S+ 0 0 87 1,-0.2 -20,-0.2 -2,-0.1 -2,-0.2 0.649 105.3 136.4 45.3 23.6 16.8 97.7 51.1 162 162 A G - 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0 0 44 -2,-0.7 4,-2.3 -3,-0.1 3,-0.6 -0.172 52.4 -69.7 -95.5-166.9 24.9 75.9 59.9 188 188 A N H 3> S+ 0 0 135 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.764 128.5 52.5 -57.8 -30.9 27.3 73.9 57.9 189 189 A I H 3> S+ 0 0 124 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.826 113.2 41.0 -83.3 -31.3 27.6 71.0 60.4 190 190 A T H <> S+ 0 0 19 -3,-0.6 4,-2.9 2,-0.2 5,-0.2 0.886 109.8 59.7 -80.0 -39.3 23.9 70.4 60.7 191 191 A A H X S+ 0 0 9 -4,-2.3 4,-0.8 1,-0.2 -2,-0.2 0.863 108.7 45.9 -54.9 -38.1 23.3 70.8 57.0 192 192 A E H X S+ 0 0 113 -4,-1.3 4,-1.8 2,-0.2 3,-0.4 0.911 111.9 48.3 -74.1 -45.1 25.7 67.9 56.4 193 193 A K H < S+ 0 0 70 -4,-1.4 -2,-0.2 1,-0.2 -1,-0.2 0.863 112.4 52.1 -57.0 -36.3 24.3 65.6 59.1 194 194 A L H <>S+ 0 0 0 -4,-2.9 5,-2.7 1,-0.2 -1,-0.2 0.731 105.3 54.4 -76.9 -22.0 20.8 66.4 57.7 195 195 A K H ><5S+ 0 0 72 -4,-0.8 3,-1.5 -3,-0.4 -1,-0.2 0.929 107.4 48.2 -77.2 -46.0 21.8 65.5 54.1 196 196 A K T 3<5S+ 0 0 154 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.424 108.8 57.1 -71.4 -0.7 23.1 62.0 55.1 197 197 A L T 3 5S- 0 0 21 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.471 121.7-107.8-104.8 -8.2 19.8 61.6 57.0 198 198 A G T < 5S+ 0 0 44 -3,-1.5 2,-0.7 1,-0.2 -3,-0.2 0.523 78.5 128.7 95.1 9.0 17.8 62.2 53.9 199 199 A I < + 0 0 0 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.2 -0.849 8.1 143.2-102.4 103.0 16.5 65.7 54.8 200 200 A N + 0 0 68 -2,-0.7 -20,-2.1 -3,-0.1 -19,-0.3 0.587 69.4 43.7-109.0 -20.0 17.1 68.4 52.2 201 201 A K B > S-H 179 0C 76 -22,-0.2 3,-1.1 -21,-0.1 -22,-0.2 -0.826 90.2-109.1-121.5 165.5 13.9 70.2 52.7 202 202 A L G > S+ 0 0 2 -24,-1.1 3,-1.2 -28,-0.4 -26,-0.2 0.847 114.2 59.0 -60.3 -33.5 12.1 71.3 55.8 203 203 A V G >> S+ 0 0 49 -28,-1.6 3,-1.5 1,-0.3 4,-0.5 0.683 85.7 74.0 -76.3 -17.2 9.3 68.8 55.2 204 204 A D G <4 S+ 0 0 36 -3,-1.1 -1,-0.3 1,-0.3 4,-0.2 0.463 76.9 83.6 -74.1 2.5 11.6 65.7 55.2 205 205 A T G X4 S+ 0 0 2 -3,-1.2 3,-0.5 1,-0.2 -1,-0.3 0.768 87.4 51.9 -74.3 -21.7 11.8 66.2 59.0 206 206 A L T <4 S+ 0 0 80 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.877 95.3 67.7 -83.5 -33.9 8.5 64.3 59.4 207 207 A S T 3< S+ 0 0 94 -4,-0.5 2,-0.4 2,-0.1 -1,-0.2 0.504 91.8 78.7 -62.6 -4.7 9.5 61.2 57.4 208 208 A I S < S- 0 0 32 -3,-0.5 2,-0.3 -4,-0.2 -10,-0.0 -0.839 90.1-108.1-108.0 143.0 12.1 60.3 60.1 209 209 A E >> - 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