==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 05-MAR-09 3GII . COMPND 2 MOLECULE: DNA POLYMERASE IV; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS SOLFATARICUS P2; . AUTHOR O.RECHKOBLIT,L.MALININA,D.J.PATEL . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18439.0 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 . 60 17.6 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 34.0 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 0 1 0 1 3 1 0 2 0 0 0 0 1 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 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 G 0 0 88 0, 0.0 2,-0.4 0, 0.0 109,-0.0 0.000 360.0 360.0 360.0 117.0 14.1 42.4 13.5 2 2 A I - 0 0 17 113,-0.1 109,-2.2 165,-0.0 110,-0.5 -0.968 360.0-166.6-137.0 119.0 16.6 40.7 11.2 3 3 A V E -AB 110 145A 11 142,-2.5 142,-2.2 -2,-0.4 2,-0.4 -0.848 5.6-157.1-106.8 139.1 18.2 37.2 11.5 4 4 A L E -AB 109 144A 0 105,-3.5 105,-3.6 -2,-0.4 2,-0.4 -0.949 9.8-161.2-114.0 132.9 21.2 35.9 9.5 5 5 A F E -AB 108 143A 2 138,-2.4 138,-3.0 -2,-0.4 2,-0.4 -0.952 4.2-166.7-120.9 134.5 21.7 32.2 9.0 6 6 A V E +AB 107 142A 0 101,-2.2 101,-1.7 -2,-0.4 2,-0.4 -0.957 7.5 176.7-119.9 134.4 24.9 30.4 8.0 7 7 A D E -AB 106 141A 10 134,-2.1 134,-2.5 -2,-0.4 99,-0.2 -0.973 30.5-122.7-138.1 126.0 25.1 26.8 6.8 8 8 A F E > - B 0 140A 2 97,-3.0 3,-0.6 -2,-0.4 2,-0.3 -0.364 29.5-110.2 -76.1 143.7 28.5 25.3 5.8 9 9 A D T 3 S- 0 0 3 130,-2.0 5,-0.3 1,-0.2 130,-0.1 -0.532 82.5 -32.3 -78.9 135.1 28.7 23.9 2.2 10 10 A Y T 3> S- 0 0 34 -2,-0.3 4,-2.6 3,-0.1 3,-0.4 0.766 88.2-167.9 21.1 56.3 29.1 20.1 1.9 11 11 A F H <> + 0 0 10 -3,-0.6 4,-2.7 1,-0.3 5,-0.2 0.738 67.2 38.5 -49.8 -62.5 31.0 20.4 5.2 12 12 A Y H > S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.922 122.2 46.8 -59.2 -40.9 32.8 17.2 6.0 13 13 A A H > S+ 0 0 0 -3,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.888 111.5 51.2 -66.3 -37.8 33.7 16.8 2.4 14 14 A Q H X S+ 0 0 1 -4,-2.6 4,-1.9 -5,-0.3 -2,-0.2 0.911 105.2 55.2 -68.2 -39.7 34.8 20.4 2.1 15 15 A V H X S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.881 107.0 52.0 -59.4 -36.8 37.1 20.2 5.1 16 16 A E H X S+ 0 0 10 -4,-1.5 4,-1.8 -5,-0.2 -1,-0.2 0.840 106.5 51.9 -69.8 -35.2 38.8 17.2 3.5 17 17 A E H < S+ 0 0 3 -4,-1.6 7,-0.3 2,-0.2 -1,-0.2 0.824 109.0 52.3 -67.3 -32.8 39.4 19.2 0.2 18 18 A V H < S+ 0 0 45 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.892 112.5 43.6 -67.4 -39.7 40.9 22.0 2.4 19 19 A L H < S+ 0 0 90 -4,-1.9 -2,-0.2 1,-0.3 -1,-0.2 0.791 133.2 21.7 -75.3 -28.1 43.3 19.4 4.0 20 20 A N >< - 0 0 66 -4,-1.8 3,-1.6 -5,-0.2 -1,-0.3 -0.776 66.9-179.7-141.3 89.4 44.0 17.8 0.6 21 21 A P G > S+ 0 0 86 0, 0.0 3,-1.0 0, 0.0 -4,-0.1 0.543 73.0 80.8 -75.4 -4.0 43.3 20.1 -2.3 22 22 A S G 3 S+ 0 0 79 1,-0.2 -5,-0.1 3,-0.0 -2,-0.0 0.696 88.0 63.1 -67.5 -17.8 44.3 17.6 -4.9 23 23 A L G X S+ 0 0 10 -3,-1.6 3,-1.9 -6,-0.2 -1,-0.2 0.729 76.5 112.6 -70.6 -25.5 40.8 16.3 -4.2 24 24 A K T < S+ 0 0 110 -3,-1.0 -10,-0.0 -7,-0.3 0, 0.0 -0.272 81.2 19.3 -56.2 128.8 39.2 19.6 -5.5 25 25 A G T 3 S+ 0 0 62 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.454 108.2 88.4 90.5 1.4 37.2 19.0 -8.7 26 26 A K S < S- 0 0 99 -3,-1.9 -1,-0.3 46,-0.0 24,-0.2 -0.943 89.8 -86.7-127.3 156.4 36.8 15.2 -8.3 27 27 A P - 0 0 31 0, 0.0 45,-2.4 0, 0.0 2,-0.4 -0.404 43.9-169.7 -69.5 131.4 34.0 13.4 -6.5 28 28 A V E -e 72 0B 0 43,-0.2 19,-2.0 -2,-0.1 2,-0.4 -0.961 6.2-171.2-121.6 138.1 34.6 12.9 -2.7 29 29 A V E -eF 73 46B 0 43,-3.0 45,-2.0 -2,-0.4 2,-0.5 -0.994 10.5-152.4-134.5 122.8 32.6 10.7 -0.4 30 30 A V E -eF 74 45B 0 15,-3.0 14,-2.8 -2,-0.4 15,-1.3 -0.877 22.7-160.9-104.0 127.7 32.9 10.7 3.3 31 31 A C E -eF 75 43B 1 43,-2.5 45,-2.3 -2,-0.5 2,-0.8 -0.802 27.9-146.2-122.3 141.9 32.0 7.4 5.0 32 32 A V E - F 0 42B 66 10,-3.2 10,-1.2 -2,-0.3 2,-0.2 -0.904 30.2-156.8 -99.2 100.0 31.1 5.9 8.3 33 33 A F E - F 0 41B 85 -2,-0.8 8,-0.2 8,-0.2 5,-0.1 -0.531 11.8-170.2 -76.2 143.7 32.6 2.5 8.2 34 34 A S - 0 0 31 6,-1.2 7,-0.2 3,-0.2 -1,-0.1 0.343 28.8-130.3-121.2 5.9 31.0 -0.1 10.5 35 35 A G S S+ 0 0 56 5,-0.4 3,-0.1 2,-0.2 6,-0.1 0.578 73.0 119.6 55.3 14.3 33.4 -3.1 10.3 36 36 A R S S- 0 0 42 1,-0.3 2,-0.3 215,-0.0 -1,-0.1 0.764 90.9 -32.9 -74.1 -29.6 30.5 -5.6 9.6 37 37 A F S > S- 0 0 131 0, 0.0 3,-2.2 0, 0.0 2,-0.3 -0.951 99.7 -37.3-170.7-179.2 32.3 -6.5 6.3 38 38 A E T 3 S- 0 0 163 1,-0.3 24,-0.1 -2,-0.3 -2,-0.0 -0.377 129.6 -8.6 -56.4 113.2 34.4 -4.9 3.6 39 39 A D T 3 S+ 0 0 46 -2,-0.3 23,-0.5 1,-0.2 -1,-0.3 0.728 90.8 161.9 66.1 25.7 33.0 -1.4 3.1 40 40 A S < + 0 0 4 -3,-2.2 -6,-1.2 21,-0.1 -5,-0.4 -0.397 35.2 58.5 -63.1 154.4 30.0 -1.9 5.4 41 41 A G E S-F 33 0B 26 -8,-0.2 20,-2.2 -7,-0.2 21,-0.3 -0.644 77.0 -75.4 119.0-174.0 28.4 1.3 6.6 42 42 A A E -FG 32 60B 36 -10,-1.2 -10,-3.2 18,-0.3 2,-0.4 -0.736 37.0-100.0-124.4 167.9 26.8 4.5 5.3 43 43 A V E -F 31 0B 5 16,-1.9 15,-2.8 13,-0.3 -12,-0.3 -0.753 20.9-168.8 -88.0 127.7 27.7 7.8 3.6 44 44 A A E - 0 0 29 -14,-2.8 2,-0.3 -2,-0.4 -13,-0.2 0.921 69.3 -37.2 -79.0 -48.2 27.9 10.9 5.9 45 45 A T E -F 30 0B 20 -15,-1.3 -15,-3.0 11,-0.1 -1,-0.4 -0.966 52.3-152.2-167.1 166.3 28.2 13.3 3.1 46 46 A A E -F 29 0B 0 -2,-0.3 -17,-0.2 -17,-0.2 11,-0.1 -0.961 29.6-102.7-141.9 153.6 29.7 13.8 -0.4 47 47 A N > - 0 0 0 -19,-2.0 4,-2.1 -2,-0.3 8,-0.1 -0.190 44.9 -95.6 -71.6 175.0 30.7 16.9 -2.4 48 48 A Y H > S+ 0 0 52 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.781 122.7 59.3 -65.2 -29.4 28.6 18.2 -5.1 49 49 A E H > S+ 0 0 64 1,-0.2 4,-0.5 2,-0.2 3,-0.3 0.962 109.8 42.4 -63.1 -53.4 30.5 16.3 -7.8 50 50 A A H >4>S+ 0 0 0 -22,-0.2 5,-1.4 1,-0.2 3,-1.3 0.895 111.4 58.2 -56.3 -41.2 29.7 13.0 -6.2 51 51 A R H ><5S+ 0 0 79 -4,-2.1 3,-2.3 1,-0.3 -1,-0.2 0.808 90.7 66.9 -64.7 -35.8 26.1 14.1 -5.6 52 52 A K H 3<5S+ 0 0 166 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.795 102.2 51.1 -54.3 -28.5 25.2 14.8 -9.2 53 53 A F T <<5S- 0 0 132 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.195 130.8 -91.3 -98.4 16.7 25.6 11.0 -9.7 54 54 A G T < 5S+ 0 0 37 -3,-2.3 2,-0.8 1,-0.2 -3,-0.2 0.379 78.8 139.7 96.6 -2.6 23.2 10.1 -6.8 55 55 A V < + 0 0 0 -5,-1.4 2,-0.3 -8,-0.1 -1,-0.2 -0.669 26.4 149.4 -81.5 111.2 25.7 9.8 -3.9 56 56 A K > - 0 0 123 -2,-0.8 3,-1.7 -11,-0.1 -13,-0.3 -0.907 51.5 -65.8-138.8 164.2 24.1 11.4 -0.8 57 57 A A T 3 S+ 0 0 64 -2,-0.3 -13,-0.2 1,-0.2 -12,-0.1 -0.156 113.3 23.1 -47.5 133.5 24.0 11.1 3.1 58 58 A G T 3 S+ 0 0 60 -15,-2.8 -1,-0.2 1,-0.3 -14,-0.1 0.153 86.2 116.7 99.1 -18.5 22.5 7.8 4.3 59 59 A I S < S- 0 0 23 -3,-1.7 -16,-1.9 1,-0.1 -1,-0.3 -0.517 76.3 -91.6 -80.3 153.7 23.0 5.5 1.4 60 60 A P B > -G 42 0B 69 0, 0.0 4,-1.2 0, 0.0 -18,-0.3 -0.262 27.9-123.2 -61.9 153.4 25.2 2.4 1.9 61 61 A I H > S+ 0 0 0 -20,-2.2 4,-1.9 -22,-0.3 3,-0.5 0.912 112.8 54.4 -61.3 -43.9 28.9 2.8 1.1 62 62 A V H > S+ 0 0 45 -23,-0.5 4,-1.5 -21,-0.3 -1,-0.2 0.785 102.0 57.7 -65.2 -28.9 28.7 -0.1 -1.3 63 63 A E H > S+ 0 0 81 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.884 107.7 48.4 -63.1 -38.0 25.8 1.5 -3.2 64 64 A A H >X S+ 0 0 0 -4,-1.2 4,-3.1 -3,-0.5 3,-0.5 0.847 107.3 54.4 -70.8 -36.1 28.1 4.5 -3.8 65 65 A K H 3< S+ 0 0 58 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.861 103.2 57.0 -65.5 -33.4 30.9 2.3 -5.0 66 66 A K H 3< S+ 0 0 144 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.741 117.0 35.1 -69.6 -23.5 28.6 0.7 -7.6 67 67 A I H << S+ 0 0 64 -4,-0.7 -2,-0.2 -3,-0.5 -1,-0.2 0.825 134.5 22.1 -93.6 -43.7 27.9 4.2 -9.0 68 68 A L >< + 0 0 24 -4,-3.1 3,-1.7 1,-0.1 -2,-0.2 -0.611 62.3 165.7-126.1 70.1 31.3 5.8 -8.5 69 69 A P T 3 S+ 0 0 86 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.823 83.1 46.1 -56.1 -26.1 33.9 3.1 -8.3 70 70 A N T 3 S+ 0 0 155 -3,-0.1 -5,-0.1 2,-0.1 -2,-0.0 0.276 85.1 112.3-106.1 10.8 36.7 5.8 -8.8 71 71 A A S < S- 0 0 11 -3,-1.7 2,-0.6 -7,-0.2 -43,-0.2 -0.256 78.3-100.3 -65.2 168.1 35.4 8.4 -6.4 72 72 A V E -e 28 0B 36 -45,-2.4 -43,-3.0 -49,-0.1 2,-0.6 -0.873 34.9-163.3 -98.7 121.2 37.6 9.1 -3.4 73 73 A Y E +e 29 0B 39 -2,-0.6 -43,-0.2 -45,-0.2 -45,-0.0 -0.930 12.5 177.1-109.5 114.2 36.3 7.4 -0.2 74 74 A L E -e 30 0B 37 -45,-2.0 -43,-2.5 -2,-0.6 2,-0.2 -0.878 31.6-110.9-115.3 148.2 37.7 8.8 3.0 75 75 A P E -e 31 0B 75 0, 0.0 2,-0.2 0, 0.0 -43,-0.2 -0.554 41.7 -99.9 -79.2 147.0 36.8 7.8 6.6 76 76 A M - 0 0 58 -45,-2.3 2,-0.6 -2,-0.2 -43,-0.1 -0.452 31.3-167.0 -65.6 127.6 34.9 10.3 8.7 77 77 A R >> + 0 0 93 -2,-0.2 4,-1.7 1,-0.2 3,-0.6 -0.779 10.4 175.2-115.0 86.4 37.1 12.2 11.1 78 78 A K H 3> S+ 0 0 92 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.872 74.2 60.6 -57.5 -44.4 34.6 13.9 13.4 79 79 A E H 3> S+ 0 0 124 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.853 108.0 44.7 -54.2 -41.4 37.2 15.4 15.7 80 80 A V H <> S+ 0 0 31 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.885 111.6 51.2 -72.7 -41.2 38.8 17.4 12.9 81 81 A Y H X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.864 108.9 54.0 -64.8 -32.7 35.4 18.6 11.5 82 82 A Q H X S+ 0 0 90 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.838 105.1 51.6 -71.8 -33.8 34.5 19.8 15.0 83 83 A Q H X S+ 0 0 112 -4,-1.3 4,-2.2 2,-0.2 -1,-0.2 0.915 112.5 46.2 -67.5 -43.6 37.7 21.9 15.4 84 84 A V H X S+ 0 0 9 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.944 111.7 51.9 -61.9 -50.4 37.0 23.7 12.1 85 85 A S H X S+ 0 0 3 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.907 110.8 48.3 -50.2 -48.4 33.4 24.2 13.1 86 86 A S H X S+ 0 0 49 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.895 109.3 51.4 -63.1 -44.1 34.4 25.7 16.5 87 87 A R H X S+ 0 0 109 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.941 113.2 46.2 -58.8 -45.5 36.9 28.1 14.9 88 88 A I H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.903 110.4 52.3 -63.1 -42.3 34.2 29.3 12.5 89 89 A M H X S+ 0 0 4 -4,-2.5 4,-1.7 2,-0.2 -1,-0.2 0.879 109.5 50.1 -64.6 -36.6 31.6 29.6 15.2 90 90 A N H X S+ 0 0 85 -4,-2.4 4,-1.0 2,-0.2 -1,-0.2 0.928 107.9 53.9 -63.8 -43.2 34.1 31.8 17.2 91 91 A L H >< S+ 0 0 13 -4,-2.4 3,-1.1 1,-0.2 4,-0.3 0.954 107.5 51.2 -52.0 -49.8 34.6 33.8 14.1 92 92 A L H >X S+ 0 0 1 -4,-2.6 3,-2.0 1,-0.2 4,-1.2 0.822 97.8 65.7 -61.6 -37.1 30.7 34.3 13.9 93 93 A R H 3< S+ 0 0 85 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.821 92.4 63.1 -52.2 -36.0 30.5 35.5 17.5 94 94 A E T << S+ 0 0 149 -3,-1.1 -1,-0.3 -4,-1.0 -2,-0.2 0.585 102.8 49.4 -68.5 -13.2 32.5 38.6 16.6 95 95 A Y T <4 S- 0 0 25 -3,-2.0 2,-0.2 1,-0.3 -1,-0.2 0.678 134.9 -3.3 -95.6 -28.2 29.7 39.7 14.2 96 96 A S < - 0 0 13 -4,-1.2 -1,-0.3 -3,-0.1 15,-0.1 -0.812 50.5-154.5-161.3 131.8 27.0 39.2 16.8 97 97 A E S S+ 0 0 161 -2,-0.2 2,-1.3 1,-0.2 -4,-0.1 0.636 87.1 82.2 -77.5 -12.3 27.3 37.9 20.4 98 98 A K + 0 0 95 12,-0.3 12,-2.0 -5,-0.1 2,-0.4 -0.678 68.2 149.9 -92.5 84.8 23.6 36.9 20.1 99 99 A I E -C 109 0A 16 -2,-1.3 2,-0.7 10,-0.2 10,-0.2 -0.956 38.4-158.7-128.5 131.0 24.3 33.6 18.3 100 100 A E E -C 108 0A 16 8,-2.6 8,-2.7 -2,-0.4 2,-0.6 -0.928 12.5-153.0-110.6 104.0 22.4 30.2 18.3 101 101 A I E +C 107 0A 53 -2,-0.7 6,-0.3 6,-0.3 139,-0.1 -0.722 18.4 177.9 -74.1 120.3 24.7 27.4 17.3 102 102 A A E - 0 0 39 4,-1.7 2,-0.3 -2,-0.6 5,-0.2 0.696 55.3 -19.0-104.2 -28.2 22.2 24.9 15.8 103 103 A S E > S-C 106 0A 51 3,-1.6 3,-0.7 0, 0.0 -1,-0.2 -0.907 83.8 -71.1-161.1-171.7 24.3 22.0 14.6 104 104 A I T 3 S+ 0 0 35 -2,-0.3 3,-0.0 1,-0.2 -3,-0.0 0.739 131.0 26.3 -64.2 -22.2 27.9 21.1 13.6 105 105 A D T 3 S+ 0 0 26 -97,-0.1 -97,-3.0 1,-0.0 2,-0.3 0.198 114.7 59.2-131.5 17.1 27.6 23.2 10.5 106 106 A E E < +AC 7 103A 26 -3,-0.7 -4,-1.7 -99,-0.2 -3,-1.6 -0.994 45.0 170.5-150.6 157.6 25.0 25.9 11.1 107 107 A A E -AC 6 101A 0 -101,-1.7 -101,-2.2 -2,-0.3 2,-0.4 -0.981 24.2-131.5-162.5 145.5 24.3 28.9 13.3 108 108 A Y E -AC 5 100A 23 -8,-2.7 -8,-2.6 -2,-0.3 2,-0.5 -0.929 18.3-163.3-109.0 133.7 21.8 31.8 13.6 109 109 A L E -AC 4 99A 0 -105,-3.6 -105,-3.5 -2,-0.4 2,-0.8 -0.964 15.2-144.1-115.6 127.9 22.8 35.4 14.2 110 110 A D E +A 3 0A 36 -12,-2.0 -12,-0.3 -2,-0.5 -107,-0.2 -0.833 25.5 171.9 -80.8 113.0 20.5 38.2 15.3 111 111 A I >> + 0 0 0 -109,-2.2 3,-1.7 -2,-0.8 4,-1.0 0.202 35.5 120.6-111.1 16.2 22.0 41.2 13.5 112 112 A S T 34 S+ 0 0 40 -110,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.772 83.2 38.3 -48.9 -36.1 19.3 43.7 14.3 113 113 A D T 34 S+ 0 0 159 -3,-0.2 -1,-0.3 1,-0.2 -2,-0.1 0.468 110.1 60.2 -96.0 -5.3 21.8 46.0 16.0 114 114 A K T <4 S+ 0 0 118 -3,-1.7 2,-0.3 1,-0.1 -2,-0.2 0.550 108.3 40.1 -98.8 -9.5 24.6 45.5 13.6 115 115 A V < - 0 0 11 -4,-1.0 -1,-0.1 -3,-0.1 3,-0.1 -0.996 58.7-148.7-144.9 146.7 22.8 46.8 10.5 116 116 A R S S- 0 0 190 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.620 82.0 -8.0 -89.2 -17.0 20.3 49.6 9.6 117 117 A D S > S- 0 0 73 1,-0.0 4,-1.8 -115,-0.0 3,-0.2 -0.982 78.2 -84.7-164.5 176.5 18.5 47.6 6.8 118 118 A Y H > S+ 0 0 28 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.754 120.3 56.7 -61.2 -26.9 18.4 44.5 4.7 119 119 A R H > S+ 0 0 195 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.900 109.1 46.0 -76.5 -37.5 20.8 45.9 2.0 120 120 A E H > S+ 0 0 67 2,-0.2 4,-2.3 -3,-0.2 -2,-0.2 0.836 108.3 58.2 -67.5 -33.7 23.4 46.4 4.7 121 121 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 -2,-0.2 0.938 105.2 50.0 -57.7 -50.1 22.6 42.9 6.0 122 122 A Y H X S+ 0 0 104 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.928 109.3 51.1 -50.3 -52.8 23.5 41.6 2.5 123 123 A N H X S+ 0 0 96 -4,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.892 110.3 49.1 -56.2 -40.6 26.8 43.5 2.7 124 124 A L H X S+ 0 0 27 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.886 107.6 55.1 -67.0 -38.9 27.5 42.0 6.1 125 125 A G H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.912 106.8 51.2 -55.2 -45.0 26.6 38.5 4.6 126 126 A L H X S+ 0 0 62 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.865 111.4 47.1 -62.4 -36.5 29.3 39.1 2.0 127 127 A E H X S+ 0 0 109 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.937 111.8 49.4 -71.0 -48.1 31.9 40.1 4.6 128 128 A I H X S+ 0 0 1 -4,-2.7 4,-2.3 1,-0.2 5,-0.2 0.920 112.8 48.3 -54.2 -47.6 31.1 37.1 6.8 129 129 A K H X S+ 0 0 22 -4,-2.4 4,-1.5 -5,-0.2 -1,-0.2 0.885 113.1 48.0 -62.5 -42.5 31.4 34.8 3.8 130 130 A N H X S+ 0 0 92 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.918 111.4 48.7 -64.6 -46.4 34.7 36.4 2.7 131 131 A K H X S+ 0 0 68 -4,-3.0 4,-2.8 1,-0.2 5,-0.3 0.918 109.5 51.6 -65.3 -40.8 36.3 36.2 6.1 132 132 A I H X>S+ 0 0 1 -4,-2.3 4,-2.5 -5,-0.2 6,-0.9 0.888 111.7 48.6 -58.9 -39.0 35.4 32.5 6.7 133 133 A L H X5S+ 0 0 78 -4,-1.5 4,-0.8 4,-0.2 -1,-0.2 0.873 113.9 46.2 -68.8 -38.5 36.9 31.8 3.3 134 134 A E H <5S+ 0 0 131 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.857 122.5 33.8 -70.8 -37.6 40.1 33.7 4.2 135 135 A K H <5S+ 0 0 124 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.820 138.6 14.2 -92.3 -36.2 40.5 32.2 7.7 136 136 A E H <5S- 0 0 34 -4,-2.5 -3,-0.2 -5,-0.3 -2,-0.1 0.391 88.9-129.0-122.6 0.4 39.2 28.6 7.2 137 137 A K << + 0 0 119 -4,-0.8 2,-0.4 -5,-0.5 -4,-0.2 0.663 65.2 130.8 64.1 19.1 39.1 28.3 3.4 138 138 A I - 0 0 2 -6,-0.9 2,-0.2 -9,-0.1 -1,-0.2 -0.898 50.7-140.3-114.4 129.2 35.5 27.0 3.6 139 139 A T - 0 0 25 -2,-0.4 -130,-2.0 -130,-0.1 2,-0.3 -0.561 23.7-174.5 -84.1 155.0 32.5 28.3 1.5 140 140 A V E -B 8 0A 1 -132,-0.2 2,-0.4 -2,-0.2 -132,-0.2 -0.975 24.8-122.6-150.0 150.5 29.2 28.8 3.1 141 141 A T E -B 7 0A 0 -134,-2.5 -134,-2.1 -2,-0.3 2,-0.4 -0.862 25.8-157.5 -99.7 136.5 25.6 29.7 2.2 142 142 A V E -Bd 6 163A 0 20,-2.2 22,-1.7 -2,-0.4 2,-0.5 -0.952 7.3-170.6-114.5 133.9 24.0 32.7 4.0 143 143 A G E -Bd 5 164A 0 -138,-3.0 -138,-2.4 -2,-0.4 2,-0.5 -0.971 4.4-171.3-125.7 118.7 20.3 33.3 4.4 144 144 A I E +Bd 4 165A 0 20,-2.2 22,-1.6 -2,-0.5 2,-0.2 -0.925 22.1 132.7-110.9 127.9 19.0 36.5 5.8 145 145 A S E -B 3 0A 0 -142,-2.2 -142,-2.5 -2,-0.5 22,-0.1 -0.817 67.1 -83.2-148.6-166.8 15.3 37.2 6.7 146 146 A K S S+ 0 0 38 20,-0.3 2,-0.3 -144,-0.2 -142,-0.1 0.675 107.6 16.4 -76.6 -20.5 13.1 38.6 9.5 147 147 A N S > S- 0 0 5 -144,-0.2 4,-2.5 1,-0.1 3,-0.4 -0.990 84.1 -97.0-153.4 159.5 13.2 35.4 11.5 148 148 A K H > S+ 0 0 12 87,-0.5 4,-2.5 -2,-0.3 5,-0.2 0.857 115.9 50.6 -40.2 -55.9 15.0 32.1 11.9 149 149 A V H > S+ 0 0 10 84,-0.3 4,-2.0 1,-0.3 -1,-0.2 0.901 115.9 40.9 -63.9 -40.5 12.7 29.9 9.9 150 150 A F H > S+ 0 0 4 -3,-0.4 4,-2.6 2,-0.2 -1,-0.3 0.810 110.2 58.1 -75.6 -30.3 12.8 32.2 6.8 151 151 A A H X S+ 0 0 0 -4,-2.5 4,-1.5 2,-0.2 -146,-0.2 0.897 109.8 46.8 -60.9 -40.2 16.5 32.8 7.2 152 152 A K H X S+ 0 0 55 -4,-2.5 4,-2.2 -5,-0.2 -2,-0.2 0.909 110.9 49.2 -67.6 -45.7 16.9 29.1 6.9 153 153 A I H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.952 108.6 55.1 -60.3 -46.7 14.6 28.8 3.9 154 154 A A H X S+ 0 0 0 -4,-2.6 4,-0.8 1,-0.2 -1,-0.2 0.887 107.8 49.5 -47.5 -45.8 16.5 31.6 2.2 155 155 A A H >X S+ 0 0 0 -4,-1.5 4,-1.1 1,-0.2 3,-0.8 0.910 107.9 53.3 -66.4 -40.8 19.7 29.6 2.7 156 156 A D H 3< S+ 0 0 68 -4,-2.2 3,-0.5 1,-0.3 -1,-0.2 0.885 106.6 52.6 -61.1 -39.4 18.2 26.4 1.2 157 157 A M H 3< S+ 0 0 101 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.748 114.5 43.9 -67.5 -20.8 17.2 28.3 -1.9 158 158 A A H << S+ 0 0 19 -4,-0.8 -1,-0.2 -3,-0.8 -2,-0.2 0.554 86.6 157.8-102.0 -11.6 20.7 29.6 -2.4 159 159 A K < + 0 0 76 -4,-1.1 2,-0.1 -3,-0.5 4,-0.0 -0.341 41.5 46.5 -74.3 146.4 23.0 26.6 -1.7 160 160 A P S S- 0 0 65 0, 0.0 3,-0.1 0, 0.0 -20,-0.1 0.582 131.3 -24.0 -90.8 169.9 25.8 26.1 -2.6 161 161 A N S S+ 0 0 95 1,-0.1 -20,-0.2 -2,-0.1 2,-0.2 0.731 106.8 126.5 38.5 44.3 28.1 29.1 -2.0 162 162 A G - 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0 0 13 -4,-1.3 24,-1.7 -3,-0.3 2,-0.3 -0.656 68.8-120.8 -79.4 131.0 6.9 27.8 -1.0 179 179 A D B > -H 201 0C 81 -2,-0.4 3,-2.5 22,-0.2 4,-0.3 -0.537 19.6-128.0 -70.7 132.1 6.5 24.1 -1.5 180 180 A I G > S+ 0 0 1 20,-3.3 3,-1.4 1,-0.3 -1,-0.1 0.830 109.5 56.4 -54.2 -36.4 5.0 22.6 1.7 181 181 A A G 3 S+ 0 0 49 19,-0.3 -1,-0.3 1,-0.3 5,-0.1 0.649 97.1 64.1 -68.8 -18.3 7.9 20.0 1.8 182 182 A D G < S+ 0 0 92 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.451 78.3 106.9 -85.4 0.1 10.4 22.8 1.7 183 183 A V S X S- 0 0 2 -3,-1.4 3,-2.5 -4,-0.3 2,-0.0 -0.665 84.0-110.8 -77.5 126.2 9.2 24.1 5.1 184 184 A P T 3 S+ 0 0 26 0, 0.0 -2,-0.1 0, 0.0 3,-0.1 -0.377 106.2 29.5 -60.5 134.0 11.7 23.3 7.8 185 185 A G T 3 S+ 0 0 51 -4,-0.1 2,-0.8 1,-0.1 5,-0.1 0.195 94.4 104.5 96.0 -14.0 10.2 20.6 10.1 186 186 A I < + 0 0 9 -3,-2.5 -3,-0.1 -6,-0.1 -1,-0.1 -0.837 48.3 171.9-102.4 100.4 8.1 19.0 7.3 187 187 A G > - 0 0 44 -2,-0.8 4,-2.0 -3,-0.1 5,-0.1 0.087 53.2 -73.0 -88.0-158.1 9.7 15.8 6.2 188 188 A N H > S+ 0 0 149 2,-0.2 4,-1.2 3,-0.2 5,-0.2 0.885 129.1 49.6 -69.3 -38.7 8.5 13.1 3.8 189 189 A I H >> S+ 0 0 118 2,-0.2 4,-2.4 3,-0.2 3,-1.0 0.996 117.7 35.8 -63.8 -64.8 5.9 11.7 6.3 190 190 A T H 3> S+ 0 0 18 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.941 117.3 54.4 -57.0 -47.9 4.3 15.0 7.3 191 191 A A H 3X S+ 0 0 8 -4,-2.0 4,-0.7 1,-0.2 -1,-0.3 0.767 111.1 46.3 -54.7 -28.5 4.6 16.3 3.7 192 192 A E H S+ 0 0 0 -4,-2.2 5,-1.8 1,-0.2 3,-0.4 0.788 98.8 59.6 -72.1 -29.8 -0.7 17.0 4.0 195 195 A K H ><5S+ 0 0 107 -4,-0.7 2,-1.8 1,-0.3 3,-1.8 0.846 92.1 69.8 -63.8 -31.6 -1.1 16.1 0.3 196 196 A K T 3<5S+ 0 0 127 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.1 -0.118 106.7 40.9 -74.9 44.0 -3.9 13.8 1.4 197 197 A L T 3 5S- 0 0 59 -2,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.258 120.5 -98.6-179.4 -7.8 -5.7 17.1 2.2 198 198 A G T < 5S+ 0 0 49 -3,-1.8 2,-1.0 1,-0.2 3,-0.3 0.475 75.9 137.3 89.2 4.3 -4.9 19.5 -0.8 199 199 A I < + 0 0 3 -5,-1.8 -1,-0.2 1,-0.2 -3,-0.1 -0.732 6.6 138.6 -95.1 98.2 -2.1 21.3 1.0 200 200 A N + 0 0 78 -2,-1.0 -20,-3.3 -3,-0.1 -19,-0.3 0.758 64.3 46.9-105.4 -43.4 0.8 21.8 -1.5 201 201 A K B > S-H 179 0C 47 -3,-0.3 3,-0.8 -22,-0.2 4,-0.3 -0.642 87.8-116.4 -94.5 160.2 1.9 25.3 -0.8 202 202 A L G > S+ 0 0 3 -24,-1.7 3,-1.9 -27,-0.4 4,-0.2 0.923 112.7 62.0 -57.5 -45.2 2.5 26.7 2.7 203 203 A V G > S+ 0 0 50 -28,-1.3 3,-1.5 1,-0.3 4,-0.3 0.693 85.2 75.8 -58.0 -23.3 -0.3 29.2 2.3 204 204 A D G X S+ 0 0 46 -3,-0.8 3,-1.0 1,-0.3 -1,-0.3 0.685 78.1 74.7 -67.4 -19.6 -2.9 26.4 1.9 205 205 A T G X S+ 0 0 0 -3,-1.9 3,-0.9 -4,-0.3 -1,-0.3 0.819 87.9 61.2 -57.0 -33.2 -2.8 25.7 5.7 206 206 A L G < S+ 0 0 81 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.709 98.2 57.6 -70.9 -20.8 -4.9 28.9 6.2 207 207 A S G < S+ 0 0 101 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.3 -0.193 95.7 75.3-105.0 41.0 -7.8 27.6 4.1 208 208 A I S < S- 0 0 35 -3,-0.9 5,-0.1 -9,-0.0 -11,-0.0 -0.966 88.7 -94.5-152.4 135.1 -8.5 24.4 6.2 209 209 A E > - 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