==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 28-MAR-11 3RAQ . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS; . AUTHOR O.RECHKOBLIT,D.J.PATEL . 682 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 34929.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 490 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 120 17.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 38 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 236 34.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 3 0 0 2 2 4 2 4 0 0 0 0 2 1 1 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 . 4 0 0 2 4 2 2 2 2 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 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 G 0 0 77 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 142.6 -0.5 25.4 0.3 2 2 A I - 0 0 19 113,-0.1 109,-2.2 2,-0.0 110,-0.5 -0.973 360.0-170.0-129.2 119.8 2.0 23.9 2.7 3 3 A V E -AB 110 145A 6 142,-3.3 142,-2.0 -2,-0.4 2,-0.5 -0.904 7.3-162.0-111.4 134.7 2.1 20.1 3.2 4 4 A L E -AB 109 144A 0 105,-2.9 105,-3.0 -2,-0.4 2,-0.4 -0.979 9.6-164.3-118.1 117.3 4.0 18.4 5.9 5 5 A F E -AB 108 143A 0 138,-3.6 138,-2.7 -2,-0.5 2,-0.4 -0.871 2.2-166.3-105.8 133.1 4.6 14.6 5.3 6 6 A V E +AB 107 142A 0 101,-2.7 101,-2.0 -2,-0.4 2,-0.4 -0.983 8.7 177.9-121.6 131.0 5.7 12.3 8.1 7 7 A D E -AB 106 141A 10 134,-2.4 134,-2.2 -2,-0.4 99,-0.2 -0.978 29.0-126.3-132.4 122.1 7.1 8.8 7.7 8 8 A F E > - B 0 140A 1 97,-2.7 3,-0.8 -2,-0.4 132,-0.2 -0.398 31.1-111.6 -72.8 135.2 8.2 6.7 10.8 9 9 A D T 3 S- 0 0 2 130,-1.9 5,-0.2 1,-0.2 130,-0.2 -0.469 83.6 -25.5 -73.0 138.1 11.8 5.3 10.5 10 10 A Y T 3> S- 0 0 22 -2,-0.2 4,-2.5 3,-0.1 3,-0.4 0.770 87.9-166.0 27.3 55.0 12.2 1.5 10.1 11 11 A F H <> + 0 0 9 -3,-0.8 4,-2.4 1,-0.2 5,-0.2 0.719 67.1 37.1 -50.4 -58.8 8.9 1.4 11.9 12 12 A Y H > S+ 0 0 32 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.912 120.8 47.0 -64.0 -44.3 8.2 -2.1 13.2 13 13 A A H > S+ 0 0 0 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.871 111.5 52.7 -62.0 -36.8 11.8 -2.8 14.1 14 14 A Q H X S+ 0 0 7 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.902 105.1 53.6 -67.4 -41.6 12.0 0.6 15.8 15 15 A V H X S+ 0 0 2 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.929 108.9 50.6 -55.5 -45.1 9.0 -0.2 18.0 16 16 A E H X S+ 0 0 9 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.854 108.3 51.8 -62.3 -36.6 10.7 -3.4 19.0 17 17 A E H < S+ 0 0 11 -4,-1.7 7,-0.3 2,-0.2 6,-0.3 0.859 108.9 50.9 -65.7 -37.5 13.9 -1.4 19.9 18 18 A V H < S+ 0 0 48 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.902 112.2 46.6 -63.6 -41.1 11.7 1.0 22.1 19 19 A L H < S+ 0 0 91 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.670 128.3 26.7 -76.3 -18.5 10.2 -2.1 23.9 20 20 A N >< - 0 0 71 -4,-1.1 3,-2.3 -5,-0.2 -1,-0.3 -0.678 69.9-175.9-144.4 84.3 13.6 -3.6 24.3 21 21 A P G > S+ 0 0 82 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.712 78.0 72.0 -58.4 -24.3 16.3 -0.9 24.4 22 22 A S G 3 S+ 0 0 93 1,-0.3 -5,-0.1 3,-0.0 0, 0.0 0.631 89.3 64.1 -65.5 -14.9 19.2 -3.4 24.6 23 23 A L G X S+ 0 0 12 -3,-2.3 3,-1.4 -6,-0.3 -1,-0.3 0.655 78.6 114.1 -76.0 -19.0 18.4 -4.2 21.0 24 24 A K T < S+ 0 0 120 -3,-1.6 -10,-0.0 -7,-0.3 -6,-0.0 -0.284 74.8 18.9 -66.0 133.0 19.4 -0.7 19.9 25 25 A G T 3 S+ 0 0 46 1,-0.3 -1,-0.2 -2,-0.0 -2,-0.1 0.545 110.2 80.2 87.6 7.2 22.5 -0.3 17.7 26 26 A K S < S- 0 0 99 -3,-1.4 -1,-0.3 46,-0.0 24,-0.2 -0.950 94.7 -67.6-137.7 164.4 22.6 -3.9 16.5 27 27 A P + 0 0 28 0, 0.0 45,-2.0 0, 0.0 2,-0.4 -0.228 48.1 178.6 -60.3 130.7 20.7 -5.8 13.8 28 28 A V E -e 72 0B 0 43,-0.2 19,-2.3 2,-0.0 2,-0.5 -1.000 5.2-171.4-129.4 129.9 17.0 -6.4 14.4 29 29 A V E -eF 73 46B 0 43,-2.8 45,-2.2 -2,-0.4 2,-0.5 -0.986 11.8-150.5-129.7 119.7 14.8 -8.2 11.8 30 30 A V E -eF 74 45B 0 15,-3.2 14,-2.9 -2,-0.5 15,-1.7 -0.836 26.5-169.5 -96.8 123.2 11.0 -8.4 12.2 31 31 A C E -eF 75 43B 0 43,-3.1 45,-2.7 -2,-0.5 2,-0.7 -0.801 32.4-144.8-122.1 149.8 9.6 -11.5 10.6 32 32 A V E - F 0 42B 64 10,-2.8 10,-1.3 -2,-0.3 2,-0.6 -0.923 25.2-156.8-107.5 102.1 6.4 -13.3 9.6 33 33 A F E - F 0 41B 84 -2,-0.7 8,-0.3 8,-0.2 5,-0.0 -0.731 5.2-166.2 -79.1 117.9 7.0 -17.0 10.3 34 34 A S - 0 0 30 6,-1.3 7,-0.2 -2,-0.6 -1,-0.1 0.605 26.2-131.9 -86.2 -13.6 4.6 -18.9 8.0 35 35 A G S S+ 0 0 48 5,-0.6 3,-0.1 2,-0.3 6,-0.1 0.436 72.4 118.8 80.6 1.0 4.9 -22.3 9.8 36 36 A R S S- 0 0 54 1,-0.2 2,-0.3 215,-0.1 -1,-0.1 0.773 91.8 -20.7 -71.0 -30.9 5.5 -24.3 6.5 37 37 A F S > S- 0 0 121 3,-0.0 3,-2.3 0, 0.0 -2,-0.3 -0.938 99.4 -54.5-162.6 173.6 8.9 -25.4 7.7 38 38 A E T 3 S+ 0 0 173 1,-0.3 24,-0.0 -2,-0.3 -2,-0.0 -0.421 127.1 2.0 -62.4 119.9 11.4 -24.2 10.3 39 39 A D T 3 S+ 0 0 42 1,-0.3 23,-0.6 -2,-0.3 -1,-0.3 0.608 91.2 152.9 76.5 18.8 12.2 -20.6 9.5 40 40 A S < + 0 0 4 -3,-2.3 -6,-1.3 21,-0.1 -5,-0.6 -0.510 34.8 61.9 -72.0 146.9 9.7 -20.4 6.6 41 41 A G E S-F 33 0B 26 -8,-0.3 20,-1.7 -7,-0.2 21,-0.3 -0.809 75.7 -80.0 132.2-170.3 8.4 -16.9 6.0 42 42 A A E -FG 32 60B 40 -10,-1.3 -10,-2.8 18,-0.3 2,-0.4 -0.904 34.6-103.6-132.2 156.8 9.5 -13.4 5.0 43 43 A V E -F 31 0B 5 16,-2.6 15,-2.9 -2,-0.3 -12,-0.3 -0.686 22.8-167.7 -76.5 126.5 11.1 -10.4 6.6 44 44 A A E - 0 0 30 -14,-2.9 2,-0.3 -2,-0.4 -13,-0.2 0.882 70.0 -32.3 -78.8 -44.1 8.5 -7.6 7.3 45 45 A T E -F 30 0B 17 -15,-1.7 -15,-3.2 11,-0.1 -1,-0.4 -0.969 54.3-153.6-167.4 161.8 11.2 -5.1 8.0 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.938 28.1-106.7-134.8 157.9 14.7 -4.7 9.5 47 47 A N >> - 0 0 0 -19,-2.3 4,-2.1 -2,-0.3 3,-0.7 -0.308 43.1 -96.8 -77.0 172.4 16.5 -1.8 11.1 48 48 A Y H 3> S+ 0 0 68 1,-0.3 4,-1.3 2,-0.2 -1,-0.1 0.793 122.7 60.7 -65.2 -30.1 19.3 0.0 9.3 49 49 A E H 34 S+ 0 0 45 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.880 110.9 42.2 -60.7 -39.4 22.1 -2.1 10.9 50 50 A A H X4>S+ 0 0 0 -3,-0.7 3,-1.7 -22,-0.2 5,-1.4 0.888 107.9 59.7 -73.4 -42.2 20.5 -5.1 9.3 51 51 A R H ><5S+ 0 0 88 -4,-2.1 3,-1.5 1,-0.3 -2,-0.2 0.728 91.0 69.5 -58.8 -26.9 19.9 -3.4 5.9 52 52 A K T 3<5S+ 0 0 164 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.789 102.5 46.2 -62.0 -27.2 23.6 -2.7 5.5 53 53 A F T < 5S- 0 0 116 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.189 127.6 -95.5-100.7 13.6 24.0 -6.5 5.0 54 54 A G T < 5S+ 0 0 32 -3,-1.5 2,-0.9 1,-0.2 -3,-0.2 0.456 79.8 135.1 92.2 2.1 21.1 -6.9 2.6 55 55 A V < + 0 0 0 -5,-1.4 2,-0.3 -8,-0.1 -1,-0.2 -0.769 31.3 139.4 -89.0 107.9 18.3 -8.0 5.0 56 56 A K > - 0 0 118 -2,-0.9 3,-1.7 -3,-0.1 -13,-0.3 -0.861 56.5 -51.5-143.0 172.4 15.3 -6.0 4.1 57 57 A A T 3 S+ 0 0 63 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.197 117.5 20.3 -48.7 127.2 11.5 -6.1 3.7 58 58 A G T 3 S+ 0 0 58 -15,-2.9 -1,-0.2 1,-0.3 -14,-0.1 0.164 87.5 118.4 102.6 -16.8 10.4 -9.1 1.5 59 59 A I S < S- 0 0 20 -3,-1.7 -16,-2.6 -16,-0.1 -1,-0.3 -0.548 72.2 -94.9 -81.9 149.5 13.4 -11.4 1.6 60 60 A P B > -G 42 0B 57 0, 0.0 4,-2.3 0, 0.0 -18,-0.3 -0.305 24.0-126.2 -60.5 145.6 13.0 -15.0 3.0 61 61 A I H > S+ 0 0 0 -20,-1.7 4,-2.9 1,-0.2 5,-0.2 0.890 111.8 54.2 -59.2 -41.7 13.8 -15.5 6.7 62 62 A V H > S+ 0 0 49 -23,-0.6 4,-1.4 -21,-0.3 -1,-0.2 0.845 108.4 49.5 -63.1 -34.2 16.2 -18.4 5.7 63 63 A E H > S+ 0 0 97 -3,-0.3 4,-1.2 2,-0.2 -2,-0.2 0.908 111.8 48.7 -67.3 -43.8 18.0 -16.1 3.3 64 64 A A H X S+ 0 0 0 -4,-2.3 4,-3.5 1,-0.2 3,-0.4 0.920 109.7 51.4 -58.5 -48.0 18.3 -13.4 6.1 65 65 A K H < S+ 0 0 63 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.822 104.4 57.9 -63.5 -30.3 19.6 -16.0 8.6 66 66 A K H < S+ 0 0 175 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.856 117.1 34.2 -65.1 -36.2 22.3 -17.1 6.1 67 67 A I H < S+ 0 0 66 -4,-1.2 -2,-0.2 -3,-0.4 3,-0.2 0.926 135.1 22.2 -80.4 -54.9 23.6 -13.5 6.0 68 68 A L >< + 0 0 21 -4,-3.5 3,-1.8 1,-0.2 -1,-0.2 -0.592 63.7 159.2-118.5 70.4 23.0 -12.5 9.6 69 69 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.810 78.7 53.6 -61.1 -27.0 22.8 -15.6 11.7 70 70 A N T 3 S+ 0 0 150 -3,-0.2 2,-0.1 2,-0.1 -5,-0.1 0.195 84.7 112.5 -96.4 17.7 23.6 -13.5 14.8 71 71 A A S < S- 0 0 13 -3,-1.8 2,-0.6 -7,-0.1 -43,-0.2 -0.373 77.7-103.5 -78.4 163.7 20.8 -10.9 14.3 72 72 A V E -e 28 0B 31 -45,-2.0 -43,-2.8 -49,-0.1 2,-0.6 -0.841 35.7-158.6 -90.4 123.9 17.8 -10.7 16.6 73 73 A Y E +e 29 0B 37 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.928 14.0 177.6-111.4 117.9 14.8 -12.3 15.0 74 74 A L E -e 30 0B 36 -45,-2.2 -43,-3.1 -2,-0.6 2,-0.1 -0.942 29.2-116.4-122.9 139.2 11.4 -11.2 16.3 75 75 A P E -e 31 0B 74 0, 0.0 2,-0.4 0, 0.0 -43,-0.2 -0.487 42.0 -96.7 -71.7 148.2 8.0 -12.2 15.2 76 76 A M - 0 0 62 -45,-2.7 2,-0.6 -2,-0.1 3,-0.1 -0.491 33.5-171.3 -65.9 118.7 5.7 -9.5 13.7 77 77 A R >> + 0 0 100 -2,-0.4 4,-1.8 1,-0.1 3,-0.6 -0.715 11.9 172.4-107.1 77.2 3.4 -8.1 16.4 78 78 A K H 3> S+ 0 0 84 -2,-0.6 4,-2.2 1,-0.2 -1,-0.1 0.777 72.7 57.3 -60.9 -30.6 1.2 -6.0 14.1 79 79 A E H 3> S+ 0 0 123 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.889 106.3 49.4 -70.1 -41.4 -1.3 -5.1 16.8 80 80 A V H <> S+ 0 0 32 -3,-0.6 4,-1.7 1,-0.2 -2,-0.2 0.921 112.0 48.7 -62.1 -42.0 1.4 -3.6 19.0 81 81 A Y H X S+ 0 0 0 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.871 107.7 54.7 -68.0 -35.8 2.7 -1.5 16.1 82 82 A Q H X S+ 0 0 62 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.831 105.4 54.0 -65.9 -32.2 -0.8 -0.3 15.2 83 83 A Q H X S+ 0 0 116 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.923 110.5 44.8 -67.1 -46.1 -1.3 1.0 18.8 84 84 A V H X S+ 0 0 13 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.945 113.5 51.7 -61.5 -47.3 1.9 3.0 18.6 85 85 A S H X S+ 0 0 2 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.945 109.2 49.2 -53.8 -52.8 0.9 4.3 15.2 86 86 A S H X S+ 0 0 51 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.875 109.9 51.5 -60.8 -37.2 -2.5 5.4 16.4 87 87 A R H X S+ 0 0 117 -4,-2.0 4,-1.6 2,-0.2 -1,-0.3 0.903 112.4 46.8 -65.2 -36.3 -1.0 7.2 19.3 88 88 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.934 108.1 54.0 -71.7 -43.2 1.4 9.0 16.9 89 89 A M H X S+ 0 0 7 -4,-3.2 4,-1.3 1,-0.2 -1,-0.2 0.858 108.5 51.8 -58.6 -33.7 -1.4 9.9 14.5 90 90 A N H X S+ 0 0 85 -4,-1.7 4,-0.8 -5,-0.3 -1,-0.2 0.859 106.9 51.4 -71.4 -36.6 -3.2 11.5 17.4 91 91 A L H >< S+ 0 0 32 -4,-1.6 3,-0.7 1,-0.2 4,-0.5 0.892 108.5 53.3 -60.1 -40.4 -0.2 13.5 18.4 92 92 A L H >X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 3,-1.0 0.821 100.6 61.0 -65.8 -29.9 -0.0 14.7 14.7 93 93 A R H 3< S+ 0 0 96 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.753 92.8 65.2 -68.5 -25.8 -3.7 15.8 15.0 94 94 A E T << S+ 0 0 156 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.737 105.7 44.3 -67.2 -23.2 -2.8 18.3 17.7 95 95 A Y T <4 S- 0 0 41 -3,-1.0 2,-0.3 -4,-0.5 -2,-0.2 0.716 135.1 -1.7 -92.9 -28.8 -0.7 20.2 15.1 96 96 A S < - 0 0 3 -4,-1.2 -1,-0.3 1,-0.1 15,-0.1 -0.849 46.7-156.1-162.8 136.1 -3.3 20.0 12.4 97 97 A E S S+ 0 0 137 -2,-0.3 2,-1.6 1,-0.2 -4,-0.1 0.606 84.0 86.1 -82.3 -16.7 -6.8 18.5 12.1 98 98 A K + 0 0 101 12,-0.4 12,-2.2 -5,-0.1 2,-0.4 -0.664 66.6 153.4 -83.1 82.5 -6.4 18.4 8.3 99 99 A I E -C 109 0A 7 -2,-1.6 2,-0.6 10,-0.2 141,-0.4 -0.951 35.4-165.3-122.4 131.9 -4.7 15.0 8.3 100 100 A E E -C 108 0A 31 8,-3.1 8,-2.4 -2,-0.4 2,-0.5 -0.898 12.6-155.5-113.9 99.6 -4.5 12.3 5.7 101 101 A I E +C 107 0A 15 -2,-0.6 6,-0.3 6,-0.2 3,-0.1 -0.642 16.4 176.6 -69.7 121.4 -3.2 9.0 7.2 102 102 A A E - 0 0 50 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.597 58.8 -9.4-108.2 -15.6 -1.7 7.2 4.1 103 103 A S E > S-C 106 0A 33 3,-1.4 3,-0.8 0, 0.0 -1,-0.2 -0.945 85.2 -76.5-162.0-177.9 -0.3 4.0 5.8 104 104 A I T 3 S+ 0 0 36 -2,-0.3 3,-0.1 1,-0.2 -3,-0.0 0.648 130.9 26.7 -62.6 -16.3 0.4 2.4 9.1 105 105 A D T 3 S+ 0 0 26 1,-0.1 -97,-2.7 -17,-0.0 2,-0.3 0.199 113.4 62.0-135.7 19.2 3.5 4.7 9.5 106 106 A E E < +AC 7 103A 30 -3,-0.8 -4,-2.1 -99,-0.2 -3,-1.4 -1.000 45.1 172.8-151.8 149.8 2.9 7.9 7.4 107 107 A A E -AC 6 101A 0 -101,-2.0 -101,-2.7 -2,-0.3 2,-0.5 -0.993 23.6-134.1-152.1 150.9 0.6 10.9 7.2 108 108 A Y E -AC 5 100A 28 -8,-2.4 -8,-3.1 -2,-0.3 2,-0.5 -0.942 20.1-164.0-106.9 131.3 0.2 14.2 5.3 109 109 A L E -AC 4 99A 0 -105,-3.0 -105,-2.9 -2,-0.5 2,-0.8 -0.964 14.9-145.0-115.3 126.0 -0.7 17.3 7.3 110 110 A D E +A 3 0A 32 -12,-2.2 -12,-0.4 -2,-0.5 -107,-0.2 -0.841 26.2 169.7 -83.2 111.2 -2.0 20.5 5.7 111 111 A I >> + 0 0 0 -109,-2.2 4,-1.7 -2,-0.8 3,-1.3 0.057 35.8 120.2-110.0 23.0 -0.4 23.1 7.9 112 112 A S T 34 S+ 0 0 40 -110,-0.5 -1,-0.1 1,-0.3 -109,-0.1 0.782 83.0 40.2 -56.8 -30.7 -1.3 26.1 5.6 113 113 A D T 34 S+ 0 0 122 -3,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.445 113.8 54.1 -97.3 -5.3 -3.3 27.7 8.4 114 114 A K T <4 S+ 0 0 101 -3,-1.3 2,-0.3 1,-0.2 -2,-0.2 0.614 115.2 27.6-102.9 -20.5 -0.8 26.8 11.2 115 115 A V < - 0 0 10 -4,-1.7 -1,-0.2 -113,-0.1 3,-0.1 -0.964 59.7-149.8-142.8 158.5 2.3 28.4 9.6 116 116 A R S S+ 0 0 210 -2,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.668 74.5 4.0-107.2 -22.3 2.9 31.2 7.2 117 117 A D S > S- 0 0 69 -115,-0.0 4,-1.8 1,-0.0 -1,-0.2 -0.915 81.3 -88.5-153.5 178.1 6.1 30.2 5.4 118 118 A Y H > S+ 0 0 46 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.771 119.1 60.8 -68.0 -26.9 8.7 27.4 5.0 119 119 A R H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 110.7 40.8 -65.5 -46.0 10.9 28.7 7.8 120 120 A E H > S+ 0 0 39 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.818 112.6 56.0 -67.8 -33.9 8.0 28.2 10.2 121 121 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.940 107.6 49.1 -63.1 -44.9 7.1 24.9 8.5 122 122 A Y H X S+ 0 0 51 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.904 111.3 48.6 -60.5 -44.5 10.6 23.7 9.2 123 123 A N H X S+ 0 0 7 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.890 110.8 50.8 -64.2 -38.9 10.5 24.7 12.8 124 124 A L H X S+ 0 0 21 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.914 107.0 55.3 -63.8 -41.4 7.1 23.0 13.2 125 125 A G H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.903 108.5 46.7 -55.2 -45.0 8.6 19.9 11.7 126 126 A L H X S+ 0 0 4 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.888 110.7 53.2 -65.6 -39.5 11.3 19.9 14.3 127 127 A E H X S+ 0 0 68 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.932 110.6 47.3 -57.3 -46.6 8.7 20.4 17.0 128 128 A I H X S+ 0 0 1 -4,-3.0 4,-2.2 2,-0.2 5,-0.3 0.931 112.2 49.6 -61.2 -45.3 6.8 17.4 15.6 129 129 A K H X S+ 0 0 6 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.923 112.5 47.4 -59.2 -47.6 10.0 15.3 15.6 130 130 A N H X S+ 0 0 6 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.904 110.9 52.1 -62.8 -39.7 10.8 16.3 19.2 131 131 A K H X S+ 0 0 54 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.914 109.4 47.2 -64.1 -44.6 7.3 15.6 20.4 132 132 A I H X>S+ 0 0 2 -4,-2.2 4,-2.8 1,-0.2 6,-1.0 0.902 112.8 51.8 -66.0 -38.2 7.1 12.0 18.9 133 133 A L H X5S+ 0 0 2 -4,-2.0 4,-1.2 -5,-0.3 -2,-0.2 0.932 112.1 45.5 -59.1 -49.6 10.6 11.4 20.4 134 134 A E H <5S+ 0 0 26 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 123.8 33.5 -57.7 -46.6 9.4 12.6 23.9 135 135 A K H <5S+ 0 0 109 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.851 139.1 10.3 -83.7 -39.5 6.1 10.7 23.8 136 136 A E H <5S- 0 0 26 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.1 0.427 85.7-125.6-125.1 -4.7 7.0 7.5 21.9 137 137 A K << + 0 0 49 -4,-1.2 2,-0.4 -5,-0.7 -4,-0.2 0.777 64.8 139.8 55.7 31.4 10.8 7.5 21.6 138 138 A I - 0 0 1 -6,-1.0 2,-0.3 -9,-0.1 -1,-0.2 -0.896 45.3-146.0-108.3 129.1 10.3 7.1 17.8 139 139 A T - 0 0 17 -2,-0.4 -130,-1.9 -130,-0.2 2,-0.3 -0.724 24.1-178.3 -88.0 144.6 12.4 8.9 15.2 140 140 A V E -B 8 0A 1 -2,-0.3 2,-0.4 -132,-0.2 -132,-0.2 -0.858 26.1-119.5-136.8 169.3 10.7 10.0 12.0 141 141 A T E -B 7 0A 0 -134,-2.2 -134,-2.4 -2,-0.3 2,-0.4 -0.970 24.2-157.9-117.1 130.5 11.4 11.7 8.7 142 142 A V E -Bd 6 163A 0 20,-2.1 22,-1.5 -2,-0.4 2,-0.4 -0.910 7.1-171.9-110.6 131.4 9.6 14.9 7.7 143 143 A G E -Bd 5 164A 0 -138,-2.7 -138,-3.6 -2,-0.4 2,-0.4 -0.990 7.1-169.3-120.6 135.1 9.2 16.2 4.1 144 144 A I E +Bd 4 165A 0 20,-2.4 22,-2.8 -2,-0.4 2,-0.3 -0.991 22.9 124.1-130.5 129.0 7.7 19.7 3.5 145 145 A S E -B 3 0A 0 -142,-2.0 -142,-3.3 -2,-0.4 22,-0.1 -0.899 68.0 -79.9-160.5-167.8 6.6 21.2 0.2 146 146 A K S S+ 0 0 46 20,-0.4 2,-0.3 -2,-0.3 -142,-0.1 0.572 106.7 16.1 -85.1 -11.9 3.7 22.9 -1.6 147 147 A N S > S- 0 0 4 -144,-0.2 4,-2.2 87,-0.1 5,-0.2 -0.953 85.7 -95.0-153.5 171.5 1.8 19.6 -2.4 148 148 A K H > S+ 0 0 27 87,-0.4 4,-1.9 -2,-0.3 5,-0.1 0.839 115.9 53.5 -60.0 -38.5 1.7 15.9 -1.4 149 149 A V H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 113.3 41.0 -70.1 -43.9 4.0 14.6 -4.1 150 150 A F H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.842 110.7 56.2 -75.8 -31.9 6.8 16.9 -3.4 151 151 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.890 110.5 48.4 -59.2 -39.4 6.5 16.6 0.4 152 152 A K H X S+ 0 0 36 -4,-1.9 4,-2.4 -5,-0.2 -2,-0.2 0.943 110.7 48.5 -64.0 -50.7 6.9 12.8 -0.2 153 153 A I H X S+ 0 0 6 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.910 109.2 55.2 -56.3 -41.7 9.9 13.3 -2.5 154 154 A A H X S+ 0 0 0 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.913 109.4 45.3 -60.8 -45.5 11.4 15.6 0.3 155 155 A A H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.900 110.1 55.7 -63.0 -41.8 11.1 12.9 3.0 156 156 A D H < S+ 0 0 71 -4,-2.4 3,-0.2 1,-0.2 -2,-0.2 0.890 109.7 46.1 -57.4 -43.9 12.5 10.3 0.6 157 157 A M H < S+ 0 0 83 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.814 116.8 45.5 -64.0 -32.2 15.6 12.4 0.1 158 158 A A H < S+ 0 0 23 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.567 87.5 151.5 -96.2 -13.4 15.9 13.0 3.8 159 159 A K < + 0 0 76 -4,-1.5 2,-0.1 -3,-0.2 4,-0.1 -0.326 39.9 46.4 -73.9 151.3 15.4 9.6 5.4 160 160 A P S S- 0 0 65 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.673 133.7 -17.2 -88.0 167.8 16.4 8.3 7.9 161 161 A N S S+ 0 0 43 1,-0.2 2,-0.2 -2,-0.1 -20,-0.2 0.865 105.3 141.3 45.6 50.1 15.9 10.7 10.8 162 162 A G - 0 0 10 -7,-0.1 -20,-2.1 2,-0.0 2,-0.3 -0.627 44.3-164.9-119.0 168.8 15.6 13.6 8.4 163 163 A I E +d 142 0A 27 -22,-0.2 2,-0.3 -2,-0.2 -20,-0.2 -0.915 20.8 171.7-151.0 133.4 13.7 16.8 7.8 164 164 A K E -d 143 0A 58 -22,-1.5 -20,-2.4 -2,-0.3 2,-0.5 -0.990 21.7-151.6-152.1 130.7 13.8 18.6 4.4 165 165 A V E -d 144 0A 31 -2,-0.3 2,-0.6 -22,-0.2 -20,-0.2 -0.900 2.8-165.6-102.6 128.5 12.0 21.5 2.7 166 166 A I - 0 0 0 -22,-2.8 -20,-0.4 -2,-0.5 -12,-0.1 -0.914 23.3-165.9-107.7 101.5 11.5 21.6 -1.1 167 167 A D > - 0 0 71 -2,-0.6 4,-2.5 -22,-0.1 5,-0.2 -0.118 37.1 -85.5 -82.6 179.8 10.6 25.2 -1.7 168 168 A D H > S+ 0 0 85 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.876 126.7 48.7 -57.8 -41.6 9.1 26.8 -4.9 169 169 A E H > S+ 0 0 157 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.882 111.4 48.5 -67.1 -40.7 12.4 27.3 -6.6 170 170 A E H > S+ 0 0 39 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.849 106.7 57.2 -72.5 -30.5 13.6 23.7 -5.9 171 171 A V H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.953 107.8 48.2 -57.7 -48.6 10.3 22.3 -7.2 172 172 A K H X S+ 0 0 98 -4,-1.9 4,-1.0 1,-0.2 -2,-0.2 0.903 112.8 49.1 -57.3 -41.4 11.1 24.2 -10.5 173 173 A R H X S+ 0 0 86 -4,-2.0 4,-3.1 1,-0.2 3,-0.4 0.910 111.0 48.2 -64.3 -43.0 14.6 22.7 -10.4 174 174 A L H X S+ 0 0 5 -4,-2.9 4,-2.0 2,-0.2 28,-0.4 0.834 100.8 64.3 -71.3 -31.2 13.4 19.1 -9.8 175 175 A I H < S+ 0 0 6 -4,-2.3 28,-2.4 -5,-0.2 -1,-0.2 0.875 118.2 29.4 -56.4 -35.6 10.8 19.4 -12.6 176 176 A R H < S+ 0 0 133 -4,-1.0 -2,-0.2 -3,-0.4 -1,-0.2 0.865 133.1 30.8 -86.1 -42.0 13.8 19.7 -14.8 177 177 A E H < S+ 0 0 97 -4,-3.1 -3,-0.2 -5,-0.1 2,-0.2 0.740 88.0 98.2-100.8 -27.4 16.5 17.7 -12.9 178 178 A L S < S- 0 0 22 -4,-2.0 24,-0.5 -5,-0.2 2,-0.2 -0.441 79.3-112.8 -70.1 134.1 14.8 14.9 -11.0 179 179 A D B > -H 201 0C 77 -2,-0.2 3,-2.1 1,-0.1 22,-0.2 -0.489 24.1-131.9 -63.7 129.6 14.9 11.5 -12.7 180 180 A I G > S+ 0 0 4 20,-2.9 3,-1.7 1,-0.3 -1,-0.1 0.747 102.7 67.1 -64.4 -25.4 11.3 10.7 -13.5 181 181 A A G 3 S+ 0 0 38 19,-0.3 -1,-0.3 1,-0.3 5,-0.2 0.732 94.3 60.8 -63.1 -23.7 11.6 7.1 -12.0 182 182 A D G < S+ 0 0 101 -3,-2.1 -1,-0.3 2,-0.1 -2,-0.2 0.368 80.5 105.7 -85.5 3.8 12.0 8.9 -8.6 183 183 A V S X S- 0 0 4 -3,-1.7 3,-2.0 -4,-0.1 -33,-0.1 -0.733 86.1-103.1 -82.5 129.3 8.5 10.5 -9.0 184 184 A P T 3 S+ 0 0 33 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.267 109.1 30.1 -50.3 132.8 5.9 8.8 -6.7 185 185 A G T 3 S+ 0 0 45 1,-0.1 2,-0.6 -4,-0.1 5,-0.1 0.339 95.5 106.2 92.6 -5.7 3.6 6.5 -8.8 186 186 A I < + 0 0 12 -3,-2.0 -1,-0.1 -5,-0.2 2,-0.1 -0.914 43.3 162.0-109.1 105.2 6.4 5.7 -11.3 187 187 A G > - 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