==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DNA/TRANSFERASE 27-JUL-11 3T5J . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR S.BANERJEE,P.P.CHRISTOV,A.KOZEKOVA,C.J.RIZZO,M.P.STONE . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 256 75.1 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 . 60 17.6 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 . 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 . 22 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 115 33.7 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 1 2 1 2 0 0 0 0 1 0 2 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 0 1 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 88 0, 0.0 2,-0.5 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 107.0 94.5 17.2 40.0 2 2 A I - 0 0 20 113,-0.1 109,-1.2 2,-0.0 2,-0.4 -0.980 360.0-169.8-123.8 123.0 92.6 14.9 37.7 3 3 A V E -AB 110 145A 0 142,-3.1 142,-2.1 -2,-0.5 2,-0.5 -0.917 6.7-159.5-114.8 137.3 88.8 14.5 38.1 4 4 A L E -AB 109 144A 0 105,-2.8 105,-2.7 -2,-0.4 2,-0.4 -0.971 8.8-161.2-118.0 120.2 86.8 11.9 36.3 5 5 A F E -AB 108 143A 0 138,-3.8 138,-2.7 -2,-0.5 2,-0.4 -0.858 1.2-160.4-104.4 135.9 83.0 12.5 36.1 6 6 A V E +AB 107 142A 0 101,-3.3 101,-2.0 -2,-0.4 2,-0.4 -0.964 9.8 179.0-118.8 131.6 80.5 9.7 35.3 7 7 A D E -AB 106 141A 9 134,-2.2 134,-2.5 -2,-0.4 99,-0.2 -0.961 23.9-134.2-134.2 115.0 77.1 10.3 34.0 8 8 A F E > - B 0 140A 2 97,-2.3 3,-0.9 -2,-0.4 132,-0.2 -0.482 30.7-112.9 -72.3 133.7 74.6 7.5 33.2 9 9 A D T 3 S- 0 0 2 130,-1.8 5,-0.3 1,-0.3 130,-0.1 -0.423 79.8 -28.1 -71.2 137.1 72.8 7.8 29.8 10 10 A Y T >> S- 0 0 37 -2,-0.2 4,-2.4 1,-0.1 3,-0.6 0.790 87.8-171.5 23.7 48.1 69.0 8.4 29.7 11 11 A F H <> + 0 0 7 -3,-0.9 4,-2.2 1,-0.2 5,-0.2 0.756 66.3 43.8 -34.6 -66.2 69.2 6.6 32.9 12 12 A Y H 3> S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.907 120.1 44.5 -55.9 -41.9 65.6 5.9 34.0 13 13 A A H <> S+ 0 0 0 -3,-0.6 4,-1.6 1,-0.2 -1,-0.2 0.837 111.6 53.0 -70.5 -33.5 64.7 4.8 30.4 14 14 A Q H X S+ 0 0 8 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.2 0.816 106.0 53.8 -72.7 -28.4 67.9 2.8 30.0 15 15 A V H X S+ 0 0 1 -4,-2.2 4,-2.1 -5,-0.3 -1,-0.2 0.903 106.8 51.4 -71.1 -37.8 67.1 0.9 33.2 16 16 A E H X S+ 0 0 10 -4,-1.5 4,-0.6 -5,-0.2 -2,-0.2 0.864 109.7 50.8 -65.0 -33.7 63.6 0.0 31.8 17 17 A E H >< S+ 0 0 3 -4,-1.6 3,-0.7 2,-0.2 7,-0.3 0.905 108.3 51.5 -69.4 -40.5 65.4 -1.2 28.6 18 18 A V H 3< S+ 0 0 47 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.2 47.8 -62.8 -38.9 67.7 -3.4 30.7 19 19 A L H 3< S+ 0 0 87 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.561 130.2 21.8 -79.2 -9.2 64.7 -4.9 32.5 20 20 A N X< - 0 0 73 -3,-0.7 3,-2.8 -4,-0.6 4,-0.3 -0.443 69.9-173.2-158.5 73.8 62.9 -5.6 29.2 21 21 A P G > S+ 0 0 79 0, 0.0 3,-0.7 0, 0.0 -3,-0.1 0.576 77.3 78.2 -45.8 -19.0 65.4 -5.7 26.3 22 22 A S G 3 S+ 0 0 74 1,-0.2 -5,-0.1 3,-0.1 -4,-0.1 0.696 87.5 61.7 -69.0 -15.2 62.5 -5.9 23.8 23 23 A L G X S+ 0 0 9 -3,-2.8 3,-2.5 -6,-0.3 -1,-0.2 0.813 77.4 109.4 -77.4 -32.3 62.2 -2.1 24.4 24 24 A K T < S+ 0 0 119 -3,-0.7 -10,-0.0 -7,-0.3 0, 0.0 -0.102 81.9 22.8 -46.2 134.8 65.7 -1.4 23.1 25 25 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.185 106.4 95.9 91.2 -20.2 65.6 0.4 19.7 26 26 A K S < S- 0 0 94 -3,-2.5 2,-0.4 1,-0.1 -1,-0.3 -0.604 89.3 -92.0 -99.6 161.7 62.0 1.8 20.3 27 27 A P - 0 0 33 0, 0.0 45,-2.7 0, 0.0 2,-0.5 -0.627 46.1-164.9 -76.3 126.6 61.1 5.2 21.7 28 28 A V E -e 72 0B 0 -2,-0.4 19,-2.0 43,-0.2 2,-0.5 -0.959 10.1-172.1-119.8 125.4 60.8 4.9 25.5 29 29 A V E -eF 73 46B 0 43,-3.1 45,-2.9 -2,-0.5 2,-0.6 -0.932 7.4-161.5-119.7 109.8 59.1 7.5 27.6 30 30 A V E -eF 74 45B 0 15,-2.5 14,-2.1 -2,-0.5 15,-1.6 -0.786 25.4-173.5 -88.4 121.4 59.3 7.2 31.4 31 31 A C E -eF 75 43B 0 43,-3.9 45,-2.9 -2,-0.6 2,-0.7 -0.818 31.8-137.3-123.2 161.3 56.5 9.4 32.9 32 32 A V E - F 0 42B 68 10,-2.7 10,-1.2 -2,-0.3 2,-0.6 -0.932 26.5-150.4-113.6 103.7 55.2 10.7 36.2 33 33 A F E - F 0 41B 91 -2,-0.7 8,-0.3 8,-0.2 5,-0.0 -0.676 9.9-165.8 -81.6 117.3 51.4 10.5 36.1 34 34 A S - 0 0 30 6,-1.3 7,-0.2 -2,-0.6 -1,-0.1 0.383 29.0-134.8 -82.2 2.5 49.7 13.1 38.3 35 35 A G S S+ 0 0 50 5,-0.5 3,-0.1 2,-0.2 6,-0.1 0.671 72.3 115.2 52.6 24.2 46.3 11.4 38.2 36 36 A R S S- 0 0 59 1,-0.4 2,-0.3 215,-0.0 -1,-0.1 0.877 86.8 -18.6 -86.2 -44.0 44.3 14.5 37.5 37 37 A F S > S- 0 0 136 0, 0.0 3,-3.0 0, 0.0 -1,-0.4 -0.961 100.5 -43.6-155.7 167.4 43.1 13.4 34.1 38 38 A E T 3 S- 0 0 159 1,-0.3 24,-0.1 -2,-0.3 -2,-0.0 -0.089 126.8 -12.5 -39.8 111.3 43.9 11.0 31.3 39 39 A D T 3 S+ 0 0 44 1,-0.2 23,-0.6 22,-0.1 -1,-0.3 0.774 90.9 162.8 63.2 28.5 47.7 11.1 30.9 40 40 A S < + 0 0 5 -3,-3.0 -6,-1.3 21,-0.1 -5,-0.5 -0.529 34.7 62.5 -75.2 146.5 48.1 14.2 33.0 41 41 A G E S-F 33 0B 25 -8,-0.3 20,-2.6 -2,-0.2 21,-0.4 -0.779 76.1 -77.5 133.5-177.4 51.7 14.6 34.1 42 42 A A E -FG 32 60B 40 -10,-1.2 -10,-2.7 18,-0.3 2,-0.5 -0.730 36.9-102.8-121.0 170.1 55.2 15.2 32.9 43 43 A V E -F 31 0B 4 16,-1.8 15,-2.4 13,-0.3 -12,-0.3 -0.817 19.4-165.8 -93.9 124.9 58.0 13.2 31.3 44 44 A A E S- 0 0 28 -14,-2.1 2,-0.3 -2,-0.5 -13,-0.2 0.891 70.0 -42.3 -75.1 -40.1 60.8 12.2 33.7 45 45 A T E -F 30 0B 19 -15,-1.6 -15,-2.5 11,-0.1 -1,-0.3 -0.955 52.3-146.8-177.6 164.9 63.0 11.2 30.8 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.969 26.8-105.0-142.0 156.0 63.1 9.5 27.4 47 47 A N >> - 0 0 0 -19,-2.0 4,-2.0 -2,-0.3 3,-0.9 -0.291 43.7 -99.5 -74.7 170.7 65.6 7.4 25.4 48 48 A Y H 3> S+ 0 0 64 1,-0.3 4,-2.0 2,-0.2 5,-0.1 0.786 120.7 66.7 -61.3 -28.5 67.4 9.0 22.4 49 49 A E H 34 S+ 0 0 51 -23,-0.3 -1,-0.3 1,-0.2 4,-0.1 0.908 110.7 37.7 -59.0 -38.1 65.0 7.3 20.0 50 50 A A H X4>S+ 0 0 0 -3,-0.9 5,-1.6 -24,-0.2 3,-1.4 0.858 111.1 58.6 -81.1 -35.6 62.3 9.6 21.5 51 51 A R H ><5S+ 0 0 81 -4,-2.0 3,-2.4 1,-0.3 -2,-0.2 0.813 89.9 69.7 -64.9 -32.0 64.5 12.7 22.0 52 52 A K T 3<5S+ 0 0 146 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.1 0.688 103.7 47.5 -61.1 -13.1 65.3 13.0 18.3 53 53 A F T < 5S- 0 0 116 -3,-1.4 -1,-0.3 2,-0.2 -2,-0.2 0.226 128.4 -92.3-111.3 12.1 61.7 13.9 17.9 54 54 A G T < 5S+ 0 0 39 -3,-2.4 2,-0.7 1,-0.3 -3,-0.2 0.503 81.2 133.7 93.4 1.6 61.3 16.5 20.7 55 55 A V < + 0 0 0 -5,-1.6 2,-0.3 -8,-0.1 -1,-0.3 -0.794 32.2 135.8 -89.8 118.2 60.2 14.2 23.5 56 56 A K > - 0 0 127 -2,-0.7 3,-1.8 -3,-0.1 -13,-0.3 -0.962 56.8 -53.6-155.0 171.3 62.2 15.0 26.6 57 57 A A T 3 S+ 0 0 61 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.195 115.7 23.9 -50.6 125.8 62.2 15.6 30.4 58 58 A G T 3 S+ 0 0 59 -15,-2.4 -1,-0.2 1,-0.4 -14,-0.1 0.024 87.2 114.6 108.5 -30.5 59.8 18.3 31.4 59 59 A I S < S- 0 0 33 -3,-1.8 -16,-1.8 1,-0.1 -1,-0.4 -0.432 76.9 -94.2 -75.8 153.6 57.2 18.3 28.6 60 60 A P B >> -G 42 0B 69 0, 0.0 4,-1.7 0, 0.0 3,-0.7 -0.382 26.5-126.2 -65.2 141.9 53.6 17.3 29.4 61 61 A I H 3> S+ 0 0 0 -20,-2.6 4,-2.1 1,-0.3 3,-0.4 0.931 111.5 59.1 -54.7 -44.9 52.9 13.6 28.8 62 62 A V H 3> S+ 0 0 48 -23,-0.6 4,-1.1 -21,-0.4 -1,-0.3 0.847 105.3 48.4 -52.2 -39.1 49.9 14.7 26.6 63 63 A E H <> S+ 0 0 90 -3,-0.7 4,-0.8 1,-0.2 -1,-0.2 0.831 107.5 54.5 -74.3 -31.2 52.3 16.7 24.3 64 64 A A H X S+ 0 0 0 -4,-1.7 4,-3.2 -3,-0.4 3,-0.5 0.878 105.8 53.9 -68.8 -35.5 54.7 13.7 24.0 65 65 A K H < S+ 0 0 61 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.831 101.5 57.2 -68.8 -31.7 51.8 11.5 22.8 66 66 A K H < S+ 0 0 152 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.762 117.2 36.6 -69.3 -23.6 50.8 14.0 20.1 67 67 A I H < S+ 0 0 79 -4,-0.8 -2,-0.2 -3,-0.5 -1,-0.2 0.848 135.2 19.7 -94.0 -44.6 54.3 13.6 18.7 68 68 A L >< + 0 0 24 -4,-3.2 3,-1.6 -5,-0.1 -2,-0.2 -0.574 67.1 162.3-126.9 68.2 55.0 9.9 19.4 69 69 A P T 3 S+ 0 0 85 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.737 79.3 48.1 -59.2 -21.7 51.6 8.3 19.9 70 70 A N T 3 S+ 0 0 155 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.396 85.3 109.4-103.0 4.0 53.1 4.9 19.3 71 71 A A S < S- 0 0 13 -3,-1.6 2,-0.6 1,-0.1 -43,-0.2 -0.162 80.2 -94.7 -70.2 171.8 56.1 5.1 21.7 72 72 A V E -e 28 0B 36 -45,-2.7 -43,-3.1 -49,-0.1 2,-0.6 -0.833 36.7-157.2 -94.4 120.8 56.2 3.1 24.9 73 73 A Y E -e 29 0B 38 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.878 14.3-178.1-102.9 118.8 54.9 5.0 27.9 74 74 A L E -e 30 0B 36 -45,-2.9 -43,-3.9 -2,-0.6 2,-0.3 -0.896 28.0-118.5-119.3 144.3 56.1 3.7 31.3 75 75 A P E -e 31 0B 71 0, 0.0 -43,-0.2 0, 0.0 -45,-0.1 -0.623 43.4-102.7 -79.2 134.2 55.4 4.9 34.9 76 76 A M - 0 0 60 -45,-2.9 3,-0.1 -2,-0.3 -43,-0.1 -0.262 30.4-167.8 -57.0 137.3 58.5 6.0 36.7 77 77 A R >> + 0 0 95 1,-0.1 4,-1.6 -65,-0.1 3,-1.3 -0.508 12.8 171.5-126.8 61.4 59.9 3.5 39.2 78 78 A K H 3> S+ 0 0 85 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.820 74.8 59.2 -35.3 -51.0 62.4 5.7 41.1 79 79 A E H 3> S+ 0 0 126 1,-0.2 4,-2.0 2,-0.2 -1,-0.3 0.893 105.7 46.5 -51.7 -48.9 63.0 2.9 43.7 80 80 A V H <> S+ 0 0 46 -3,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.861 114.1 49.0 -64.9 -35.8 64.1 0.4 41.1 81 81 A Y H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.853 107.0 55.9 -72.5 -34.5 66.4 3.0 39.5 82 82 A Q H X S+ 0 0 86 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.937 107.7 47.9 -63.9 -45.1 67.8 3.9 42.9 83 83 A Q H X S+ 0 0 136 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.886 112.3 48.3 -64.4 -37.0 68.9 0.4 43.6 84 84 A V H X S+ 0 0 9 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.880 111.2 52.9 -70.0 -33.6 70.5 -0.0 40.2 85 85 A S H X S+ 0 0 2 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.936 105.9 52.7 -63.7 -47.3 72.2 3.3 40.8 86 86 A S H X S+ 0 0 53 -4,-2.6 4,-2.4 1,-0.3 -1,-0.2 0.906 106.3 52.4 -55.5 -46.0 73.6 2.2 44.1 87 87 A R H X S+ 0 0 107 -4,-1.8 4,-0.8 1,-0.2 -1,-0.3 0.870 110.8 49.1 -61.0 -33.7 75.1 -0.9 42.6 88 88 A I H >X S+ 0 0 0 -4,-1.4 4,-1.9 -3,-0.2 3,-0.7 0.909 107.1 53.2 -73.7 -39.1 76.8 1.2 40.0 89 89 A M H 3X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.3 -2,-0.2 0.930 105.8 55.2 -59.9 -43.2 78.2 3.7 42.6 90 90 A N H 3X S+ 0 0 89 -4,-2.4 4,-0.7 1,-0.2 -1,-0.3 0.755 104.9 53.9 -61.1 -25.2 79.8 0.7 44.4 91 91 A L H X< S+ 0 0 18 -4,-0.8 3,-0.7 -3,-0.7 -1,-0.2 0.913 108.7 47.8 -73.7 -42.6 81.5 -0.3 41.2 92 92 A L H >< S+ 0 0 0 -4,-1.9 3,-2.2 1,-0.2 4,-0.4 0.848 100.0 68.2 -65.0 -34.5 83.0 3.2 40.9 93 93 A R H >< S+ 0 0 101 -4,-2.2 3,-1.7 1,-0.3 -1,-0.2 0.841 88.7 64.6 -53.4 -36.2 84.1 3.1 44.5 94 94 A E T << S+ 0 0 136 -4,-0.7 -1,-0.3 -3,-0.7 -2,-0.2 0.328 101.4 52.8 -71.6 9.1 86.6 0.4 43.6 95 95 A Y T < S+ 0 0 19 -3,-2.2 -1,-0.3 1,-0.4 2,-0.2 0.412 122.1 6.7-120.5 -7.3 88.3 3.0 41.5 96 96 A S < - 0 0 2 -3,-1.7 -1,-0.4 -4,-0.4 15,-0.1 -0.871 43.8-149.1-175.9 141.4 88.7 5.7 44.2 97 97 A E S S+ 0 0 153 -2,-0.2 2,-0.9 13,-0.2 -1,-0.1 0.798 94.7 70.9 -80.2 -32.8 88.3 6.4 47.9 98 98 A K + 0 0 79 12,-0.4 12,-2.3 -3,-0.1 2,-0.4 -0.779 69.3 148.8 -89.4 105.5 87.5 10.0 47.0 99 99 A I E -C 109 0A 5 -2,-0.9 2,-0.6 10,-0.2 10,-0.2 -0.991 34.0-157.8-144.6 133.1 84.1 10.0 45.4 100 100 A E E -C 108 0A 2 8,-2.5 8,-2.2 -2,-0.4 2,-1.1 -0.917 7.5-156.9-113.9 107.5 81.2 12.5 45.2 101 101 A I E +C 107 0A 65 -2,-0.6 139,-0.3 6,-0.2 6,-0.2 -0.736 17.8 176.2 -82.1 103.5 77.8 11.1 44.4 102 102 A A E - 0 0 24 -2,-1.1 2,-0.3 4,-1.1 -1,-0.2 0.809 59.0 -20.0 -80.8 -32.9 76.1 14.2 43.1 103 103 A S E > S-C 106 0A 39 3,-1.5 3,-0.9 0, 0.0 -1,-0.1 -0.899 87.0 -68.4-159.4-175.7 72.7 12.7 42.0 104 104 A I T 3 S+ 0 0 29 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.698 133.0 19.1 -61.5 -17.4 71.1 9.4 41.2 105 105 A D T 3 S+ 0 0 30 1,-0.0 -97,-2.3 -17,-0.0 2,-0.4 0.203 110.6 80.1-141.1 21.8 73.1 9.1 38.0 106 106 A E E < +AC 7 103A 36 -3,-0.9 -3,-1.5 -99,-0.2 -4,-1.1 -0.992 46.1 163.5-131.2 137.7 76.1 11.5 38.4 107 107 A A E -AC 6 101A 0 -101,-2.0 -101,-3.3 -2,-0.4 2,-0.4 -0.983 22.8-147.9-156.5 142.8 79.4 10.9 40.3 108 108 A Y E -AC 5 100A 19 -8,-2.2 -8,-2.5 -2,-0.3 2,-0.4 -0.902 11.3-161.4-111.5 141.1 82.8 12.5 40.4 109 109 A L E -AC 4 99A 0 -105,-2.7 -105,-2.8 -2,-0.4 2,-1.1 -0.986 14.0-144.1-124.3 130.7 86.0 10.5 41.2 110 110 A D E +A 3 0A 16 -12,-2.3 -12,-0.4 -2,-0.4 3,-0.4 -0.816 28.6 167.1 -93.5 96.6 89.2 12.1 42.3 111 111 A I > + 0 0 0 -109,-1.2 4,-1.7 -2,-1.1 -108,-0.1 -0.116 31.2 124.9-102.5 35.2 91.7 9.8 40.5 112 112 A S T 4 S+ 0 0 40 -110,-0.2 -1,-0.2 2,-0.2 -109,-0.1 0.841 82.5 37.3 -61.5 -32.8 94.7 12.1 41.2 113 113 A D T 4 S+ 0 0 109 -3,-0.4 -1,-0.1 -111,-0.1 -2,-0.1 0.969 112.5 52.1 -81.1 -66.0 96.5 9.2 42.8 114 114 A K T 4 S+ 0 0 92 -4,-0.2 2,-0.2 -19,-0.1 -2,-0.2 0.812 113.8 45.1 -38.6 -47.0 95.5 6.2 40.7 115 115 A V < - 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0 0 15 -7,-0.1 -20,-2.0 -23,-0.0 2,-0.3 -0.539 48.5-152.8-121.3-172.4 81.0 8.8 25.2 163 163 A I E +d 142 0A 27 -22,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.924 19.4 175.5-161.1 137.9 84.2 9.7 27.0 164 164 A K E -d 143 0A 51 -22,-1.7 -20,-3.0 -2,-0.3 2,-0.4 -0.960 21.4-149.3-158.5 137.5 86.3 12.9 26.7 165 165 A V E -d 144 0A 27 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.860 5.8-160.4-106.1 136.9 89.3 14.7 28.2 166 166 A I E -d 145 0A 0 -22,-2.8 -20,-0.5 -2,-0.4 -12,-0.1 -0.903 21.1-158.3-116.7 96.5 89.5 18.4 28.3 167 167 A D >> - 0 0 57 -2,-0.6 4,-2.3 -22,-0.1 3,-1.5 -0.323 35.2 -94.7 -73.7 158.2 93.2 19.2 28.7 168 168 A D H 3> S+ 0 0 74 1,-0.3 4,-1.3 2,-0.2 5,-0.1 0.725 125.1 59.2 -44.1 -28.5 94.6 22.4 30.1 169 169 A E H 3> S+ 0 0 149 2,-0.2 4,-1.3 1,-0.2 -1,-0.3 0.918 110.1 39.7 -70.6 -42.8 94.9 23.7 26.6 170 170 A E H <> S+ 0 0 39 -3,-1.5 4,-2.5 2,-0.2 5,-0.2 0.808 106.0 66.0 -75.5 -30.0 91.2 23.3 25.8 171 171 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.928 105.5 45.1 -55.1 -43.8 90.3 24.6 29.3 172 172 A K H X S+ 0 0 127 -4,-1.3 4,-0.7 1,-0.2 -1,-0.2 0.881 112.2 49.2 -68.7 -40.7 91.7 27.9 28.2 173 173 A R H X S+ 0 0 95 -4,-1.3 4,-2.5 1,-0.2 -1,-0.2 0.805 111.6 51.2 -70.7 -25.4 90.1 28.0 24.8 174 174 A L H X S+ 0 0 6 -4,-2.5 4,-2.8 2,-0.2 28,-0.3 0.871 100.4 60.9 -76.1 -37.7 86.8 27.1 26.5 175 175 A I H < S+ 0 0 13 -4,-2.0 28,-2.7 -5,-0.2 -1,-0.2 0.745 119.7 30.5 -59.3 -20.7 87.1 29.9 29.0 176 176 A R H < S+ 0 0 149 -4,-0.7 -2,-0.2 26,-0.2 -1,-0.2 0.731 131.5 33.1-106.7 -33.8 87.1 32.1 25.9 177 177 A E H < S+ 0 0 110 -4,-2.5 -3,-0.2 -5,-0.1 2,-0.2 0.785 91.1 99.4 -96.2 -33.3 84.9 30.1 23.5 178 178 A L S < S- 0 0 22 -4,-2.8 24,-0.8 -5,-0.2 2,-0.4 -0.380 78.6-116.0 -66.5 127.9 82.4 28.4 25.8 179 179 A D B > -H 201 0C 58 -2,-0.2 3,-2.6 22,-0.2 22,-0.3 -0.475 22.4-130.5 -63.4 117.1 78.9 30.0 26.0 180 180 A I G > S+ 0 0 0 20,-2.4 3,-1.6 -2,-0.4 -1,-0.2 0.771 105.1 63.9 -39.4 -36.8 78.6 31.1 29.7 181 181 A A G 3 S+ 0 0 38 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.817 91.7 61.6 -61.5 -34.8 75.2 29.4 29.8 182 182 A D G < S+ 0 0 106 -3,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.385 82.3 106.6 -75.8 7.7 76.7 26.0 29.2 183 183 A V S X S- 0 0 3 -3,-1.6 3,-1.6 -4,-0.3 -33,-0.1 -0.747 83.6-107.5 -88.3 127.4 78.5 26.4 32.5 184 184 A P T 3 S+ 0 0 26 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.274 106.2 32.3 -55.5 134.6 77.1 24.3 35.3 185 185 A G T 3 S+ 0 0 48 1,-0.1 2,-0.7 -4,-0.1 -3,-0.1 0.447 93.1 107.4 96.8 0.7 75.3 26.4 37.8 186 186 A I < + 0 0 13 -3,-1.6 -1,-0.1 -5,-0.2 -3,-0.1 -0.867 46.0 173.2-115.3 96.7 74.1 28.8 35.2 187 187 A G > - 0 0 42 -2,-0.7 4,-2.2 -3,-0.1 5,-0.2 -0.037 51.3 -79.4 -86.2-165.3 70.4 28.4 34.5 188 188 A N H > S+ 0 0 151 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.936 127.6 50.8 -62.3 -49.3 68.1 30.5 32.4 189 189 A I H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.886 115.8 39.9 -58.5 -44.5 67.7 33.2 35.0 190 190 A T H > S+ 0 0 18 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.862 112.2 56.4 -75.7 -34.6 71.4 33.7 35.6 191 191 A A H X S+ 0 0 11 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.916 109.7 47.3 -60.1 -42.3 72.3 33.4 31.9 192 192 A E H X S+ 0 0 113 -4,-2.4 4,-2.0 2,-0.2 3,-0.3 0.938 108.1 52.8 -65.2 -48.9 69.9 36.2 31.2 193 193 A K H X S+ 0 0 73 -4,-1.8 4,-1.0 1,-0.2 -1,-0.2 0.881 111.3 49.5 -54.9 -36.6 71.2 38.5 34.0 194 194 A L H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 -1,-0.2 0.826 103.4 58.8 -72.3 -33.6 74.7 37.9 32.5 195 195 A K H ><5S+ 0 0 94 -4,-1.6 3,-2.0 -3,-0.3 -2,-0.2 0.933 103.1 53.7 -59.6 -47.8 73.6 38.7 28.9 196 196 A K H 3<5S+ 0 0 140 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.7 51.1 -57.2 -35.8 72.5 42.2 30.1 197 197 A L T 3<5S- 0 0 26 -4,-1.0 -1,-0.3 -5,-0.2 -2,-0.2 0.459 120.6-112.8 -81.6 0.5 76.0 42.8 31.6 198 198 A G T < 5S+ 0 0 43 -3,-2.0 2,-0.8 1,-0.2 -3,-0.2 0.658 72.3 139.1 79.0 14.9 77.4 41.8 28.3 199 199 A I < + 0 0 0 -5,-2.7 -1,-0.2 1,-0.2 -2,-0.2 -0.831 5.7 146.7 -96.4 106.5 79.0 38.6 29.6 200 200 A N + 0 0 50 -2,-0.8 -20,-2.4 1,-0.2 2,-0.3 0.490 66.4 41.1-114.2 -10.4 78.5 35.7 27.1 201 201 A K B > S-H 179 0C 65 -22,-0.3 3,-1.1 -21,-0.1 4,-0.4 -0.975 89.1-110.2-137.3 148.4 81.7 33.8 27.7 202 202 A L G > S+ 0 0 2 -24,-0.8 3,-2.5 -28,-0.3 27,-0.2 0.878 114.2 60.2 -44.6 -49.9 83.5 33.0 31.0 203 203 A V G > S+ 0 0 49 -28,-2.7 3,-2.7 1,-0.3 4,-0.4 0.866 88.8 72.5 -49.5 -41.7 86.4 35.4 30.3 204 204 A D G X S+ 0 0 42 -3,-1.1 3,-0.7 1,-0.3 -1,-0.3 0.694 79.7 77.1 -48.2 -21.3 84.0 38.4 30.1 205 205 A T G < S+ 0 0 1 -3,-2.5 -1,-0.3 -4,-0.4 3,-0.3 0.533 89.2 57.1 -70.1 -4.6 83.7 38.0 33.9 206 206 A L G < S+ 0 0 86 -3,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.745 95.4 60.9 -96.2 -27.5 87.1 39.7 34.3 207 207 A S S < S+ 0 0 96 -3,-0.7 2,-0.4 -4,-0.4 -1,-0.2 0.050 95.2 81.3 -87.5 25.4 86.2 42.9 32.4 208 208 A I S S- 0 0 31 -3,-0.3 2,-0.1 -9,-0.0 5,-0.0 -0.990 90.8-106.3-132.3 139.3 83.5 43.7 34.9 209 209 A E >> - 0 0 154 -2,-0.4 4,-1.4 1,-0.1 3,-0.9 -0.462 31.1-131.6 -62.8 132.5 83.9 45.3 38.3 210 210 A F H >> S+ 0 0 60 1,-0.2 4,-3.2 2,-0.2 3,-0.6 0.916 103.0 55.0 -52.9 -51.0 83.4 42.5 40.9 211 211 A D H 3> S+ 0 0 118 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.763 106.0 52.6 -57.9 -25.9 80.9 44.4 43.0 212 212 A K H <> S+ 0 0 121 -3,-0.9 4,-1.5 2,-0.2 -1,-0.3 0.843 111.6 46.2 -78.0 -32.5 78.7 45.1 40.0 213 213 A L H S+ 0 0 1 -4,-1.4 4,-3.0 -3,-0.6 5,-0.6 0.953 111.6 51.7 -69.8 -50.5 78.7 41.3 39.3 214 214 A K H X5S+ 0 0 66 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.893 109.5 50.5 -51.5 -44.8 78.0 40.6 43.0 215 215 A G H <5S+ 0 0 66 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.879 115.6 42.5 -63.9 -36.4 75.1 43.0 42.9 216 216 A M H <5S+ 0 0 61 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.934 136.0 7.8 -78.0 -48.9 73.6 41.3 39.8 217 217 A I H <5S- 0 0 20 -4,-3.0 4,-0.4 1,-0.2 -3,-0.2 0.360 110.5 -97.9-117.6 5.6 74.1 37.6 40.5 218 218 A G X< - 0 0 30 -4,-2.0 4,-1.6 -5,-0.6 -1,-0.2 0.070 32.3 -89.5 93.5 151.8 75.3 37.4 44.1 219 219 A E H > S+ 0 0 83 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.928 121.6 51.8 -63.5 -50.3 78.7 37.1 45.6 220 220 A A H > S+ 0 0 83 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.911 115.1 41.7 -55.2 -47.4 78.8 33.3 45.7 221 221 A K H > S+ 0 0 65 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.809 115.4 53.2 -71.0 -29.4 77.9 33.0 42.1 222 222 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.960 110.1 44.2 -69.7 -53.2 80.2 35.9 41.2 223 223 A K H X S+ 0 0 113 -4,-3.5 4,-2.3 1,-0.2 5,-0.2 0.869 111.9 57.6 -59.4 -35.7 83.3 34.4 42.9 224 224 A Y H X S+ 0 0 46 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.975 109.1 41.3 -59.2 -59.5 82.4 31.1 41.3 225 225 A L H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.854 114.5 53.5 -58.3 -37.8 82.4 32.3 37.7 226 226 A I H X S+ 0 0 21 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.925 105.6 51.1 -65.7 -45.5 85.6 34.4 38.3 227 227 A S H <>S+ 0 0 31 -4,-2.3 5,-3.3 1,-0.2 6,-1.0 0.820 112.9 47.6 -63.6 -28.3 87.6 31.5 39.7 228 228 A L H ><5S+ 0 0 1 -4,-1.4 3,-1.4 4,-0.2 -1,-0.2 0.899 110.1 51.2 -76.7 -41.5 86.7 29.5 36.6 229 229 A A H 3<5S+ 0 0 8 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.769 111.6 48.1 -65.0 -27.9 87.5 32.3 34.2 230 230 A R T 3<5S- 0 0 135 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.276 113.9-118.8 -96.7 9.4 90.9 32.7 35.9 231 231 A D T < 5S+ 0 0 52 -3,-1.4 -3,-0.2 -5,-0.1 -2,-0.1 0.855 86.5 111.4 55.7 39.8 91.5 28.9 35.7 232 232 A E < + 0 0 120 -5,-3.3 2,-0.3 -6,-0.2 -4,-0.2 0.264 35.1 123.0-124.1 8.8 91.8 28.8 39.5 233 233 A Y + 0 0 24 -6,-1.0 -9,-0.0 -5,-0.1 -8,-0.0 -0.571 23.8 151.0 -75.8 131.0 88.6 26.9 40.4 234 234 A N + 0 0 79 -2,-0.3 -1,-0.0 -87,-0.1 -87,-0.0 -0.363 12.3 172.4-163.9 78.4 89.2 23.8 42.4 235 235 A E - 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