==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-SEP-11 3U26 . COMPND 2 MOLECULE: PF00702 DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR J.SEETHARAMAN,S.LEW,L.NIVON,D.BAKER,S.BJELIC,C.CICCOSANTI,S. . 230 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11049.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 168 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 40.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.5 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 1 0 0 1 0 2 1 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 4 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 X 0 0 160 0, 0.0 2,-0.5 0, 0.0 229,-0.1 0.000 360.0 360.0 360.0 146.2 7.0 -9.3 -12.1 2 2 A I + 0 0 10 224,-0.2 173,-0.2 1,-0.2 172,-0.1 -0.639 360.0 161.1 -78.6 124.0 5.6 -8.1 -8.8 3 3 A R + 0 0 113 171,-3.4 114,-2.5 -2,-0.5 2,-0.4 0.435 61.0 39.1-115.7 -14.3 4.2 -11.0 -6.9 4 4 A A E -ab 117 175A 0 170,-1.7 172,-1.9 112,-0.2 2,-0.4 -0.999 54.1-165.2-147.5 142.5 4.2 -9.6 -3.4 5 5 A V E -ab 118 176A 0 112,-2.7 114,-2.2 -2,-0.4 2,-0.3 -0.983 15.8-168.6-130.0 122.2 3.5 -6.3 -1.7 6 6 A F E -ab 119 177A 0 170,-3.3 172,-2.5 -2,-0.4 2,-0.4 -0.800 3.5-155.3-115.0 149.5 4.6 -5.9 1.8 7 7 A F E -ab 120 178A 1 112,-2.3 114,-2.5 -2,-0.3 172,-0.2 -0.964 14.4-128.9-122.1 144.4 3.7 -3.1 4.2 8 8 A D - 0 0 8 170,-2.7 114,-0.2 -2,-0.4 3,-0.1 -0.304 21.2-147.0 -71.0 166.5 5.1 -1.4 7.3 9 9 A S S >>>S+ 0 0 1 112,-0.2 4,-2.6 1,-0.2 3,-2.4 0.724 71.4 54.7 -99.8 -82.0 2.8 -1.1 10.4 10 10 A L T 345S+ 0 0 72 1,-0.3 170,-0.3 2,-0.2 -1,-0.2 -0.206 122.8 7.2 -66.4 130.2 3.3 2.0 12.4 11 11 A G T 345S+ 0 0 22 3,-0.3 -1,-0.3 4,-0.1 5,-0.1 0.338 128.4 60.5 87.0 -12.7 3.0 5.2 10.5 12 12 A T T <45S+ 0 0 0 -3,-2.4 -2,-0.2 3,-0.1 -3,-0.1 0.702 117.0 17.2-111.3 -42.7 1.9 3.4 7.3 13 13 A L T <5S+ 0 0 1 -4,-2.6 89,-2.5 88,-0.1 2,-0.3 0.803 116.8 66.3-104.3 -36.6 -1.4 1.6 8.2 14 14 A N B - 0 0 3 85,-3.2 4,-2.4 -2,-0.3 85,-0.3 -0.348 11.7-131.1 -70.4 152.0 -3.3 7.1 11.2 16 16 A V H > S+ 0 0 89 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.823 111.8 55.5 -69.6 -29.9 -1.1 9.7 12.9 17 17 A E H > S+ 0 0 115 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.925 110.7 44.1 -67.6 -43.2 -4.3 11.2 14.4 18 18 A G H > S+ 0 0 0 2,-0.2 4,-2.7 82,-0.2 -2,-0.2 0.868 114.5 49.4 -64.7 -44.0 -5.1 7.7 15.8 19 19 A A H X S+ 0 0 25 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.909 114.1 45.1 -66.3 -36.1 -1.5 7.2 17.0 20 20 A A H X S+ 0 0 50 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.884 115.0 47.6 -73.7 -39.3 -1.4 10.6 18.7 21 21 A K H X S+ 0 0 108 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.938 114.5 45.8 -69.4 -49.8 -4.9 10.2 20.3 22 22 A S H X S+ 0 0 4 -4,-2.7 4,-1.8 76,-0.2 -1,-0.2 0.900 115.2 47.5 -56.0 -47.1 -4.1 6.7 21.6 23 23 A H H X S+ 0 0 38 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.872 109.1 53.5 -69.6 -36.2 -0.7 7.9 22.9 24 24 A L H X S+ 0 0 25 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.934 109.4 48.9 -60.7 -38.8 -2.2 10.9 24.5 25 25 A K H X S+ 0 0 58 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.874 109.3 53.1 -66.3 -36.7 -4.6 8.6 26.3 26 26 A I H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.972 111.3 45.5 -58.6 -59.9 -1.7 6.4 27.4 27 27 A X H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 -2,-0.2 0.855 111.5 52.8 -59.5 -40.6 0.1 9.4 28.9 28 28 A E H < S+ 0 0 86 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.944 111.9 45.9 -56.5 -47.2 -3.1 10.5 30.6 29 29 A E H < S+ 0 0 87 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.885 111.8 51.0 -59.2 -45.5 -3.5 7.1 32.1 30 30 A V H < S+ 0 0 22 -4,-2.6 -2,-0.2 -5,-0.1 -1,-0.2 0.949 126.4 20.6 -55.9 -47.4 0.1 7.0 33.2 31 31 A L < + 0 0 13 -4,-2.8 6,-0.0 -5,-0.2 -3,-0.0 -0.004 67.6 127.1 -96.2-155.4 -0.2 10.5 34.8 32 32 A G S S+ 0 0 54 2,-0.6 2,-1.2 4,-0.2 5,-0.0 0.316 84.8 36.1 107.4 129.0 -3.2 12.4 36.0 33 33 A D S S+ 0 0 85 1,-0.2 -2,-0.1 3,-0.1 0, 0.0 -0.543 101.2 102.2 77.7 -66.6 -3.2 13.7 39.3 34 34 A Y S S- 0 0 86 -2,-1.2 2,-2.5 1,-0.2 -2,-0.6 -0.323 82.1-131.3 -63.4 125.8 0.5 14.1 38.3 35 35 A P S S+ 0 0 124 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 -0.138 71.1 109.7 -77.9 45.1 0.9 17.8 37.5 36 36 A L S S- 0 0 31 -2,-2.5 -4,-0.2 4,-0.0 -3,-0.1 -0.955 78.1-110.8-115.7 140.7 2.6 17.2 34.1 37 37 A N >> - 0 0 78 -2,-0.4 4,-2.2 1,-0.2 3,-0.6 -0.621 19.9-145.9 -74.2 125.4 0.9 18.0 30.9 38 38 A P H 3> S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 -1,-0.2 0.822 100.3 59.1 -59.1 -32.3 0.3 14.6 29.2 39 39 A K H 3> S+ 0 0 119 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.868 107.2 46.9 -65.9 -33.6 0.8 16.3 25.8 40 40 A T H <> S+ 0 0 56 -3,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.927 110.5 50.7 -72.7 -41.3 4.3 17.2 27.0 41 41 A L H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.949 111.4 49.8 -59.5 -42.8 5.0 13.8 28.3 42 42 A L H X S+ 0 0 17 -4,-2.9 4,-3.6 2,-0.2 5,-0.3 0.919 109.0 51.4 -59.8 -47.8 3.9 12.4 24.9 43 43 A D H X S+ 0 0 97 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.930 113.3 45.5 -54.6 -43.4 6.2 14.8 23.1 44 44 A E H X S+ 0 0 42 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.902 112.8 50.0 -67.4 -40.2 9.1 13.7 25.2 45 45 A Y H X S+ 0 0 7 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.935 111.3 48.2 -64.3 -48.5 8.2 10.1 24.8 46 46 A E H X S+ 0 0 50 -4,-3.6 4,-2.3 1,-0.2 -1,-0.2 0.894 113.3 48.9 -59.4 -40.2 8.0 10.5 21.0 47 47 A K H X S+ 0 0 121 -4,-2.2 4,-2.1 -5,-0.3 -2,-0.2 0.957 114.7 43.0 -62.4 -47.3 11.4 12.4 21.0 48 48 A L H X S+ 0 0 27 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.857 114.1 50.6 -76.1 -31.2 13.2 9.7 23.1 49 49 A T H X S+ 0 0 3 -4,-2.8 4,-2.8 -5,-0.2 5,-0.2 0.883 108.3 53.3 -71.7 -41.2 11.6 6.8 21.2 50 50 A R H X S+ 0 0 156 -4,-2.3 4,-2.6 -5,-0.3 -2,-0.2 0.938 110.5 47.7 -54.0 -46.4 12.6 8.4 17.9 51 51 A E H X S+ 0 0 105 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.936 112.1 48.2 -63.6 -48.4 16.1 8.6 19.2 52 52 A A H X S+ 0 0 12 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.912 111.1 50.3 -58.2 -44.1 16.1 5.0 20.4 53 53 A F H X S+ 0 0 61 -4,-2.8 4,-0.6 1,-0.2 -1,-0.2 0.903 111.8 48.9 -64.8 -40.2 14.7 3.7 17.1 54 54 A S H >< S+ 0 0 75 -4,-2.6 3,-0.9 -5,-0.2 -1,-0.2 0.930 110.2 52.0 -57.0 -46.3 17.4 5.7 15.3 55 55 A N H 3< S+ 0 0 85 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.865 114.9 40.7 -57.1 -39.5 20.0 4.1 17.7 56 56 A Y H >< S+ 0 0 59 -4,-2.2 3,-2.5 -5,-0.2 98,-0.4 0.457 82.0 133.9 -93.7 -0.9 18.8 0.6 17.0 57 57 A A T << S- 0 0 32 -3,-0.9 98,-0.1 -4,-0.6 -3,-0.1 -0.278 83.3 -0.7 -60.2 129.7 18.3 0.9 13.3 58 58 A G T 3 S+ 0 0 24 97,-1.7 -1,-0.3 1,-0.2 97,-0.1 0.398 110.9 119.4 74.2 3.8 19.8 -2.0 11.5 59 59 A K S < S- 0 0 107 -3,-2.5 95,-2.4 96,-0.3 -1,-0.2 -0.430 75.3 -71.0 -97.2 166.5 21.0 -3.5 14.7 60 60 A P B -G 153 0C 81 0, 0.0 93,-0.3 0, 0.0 -1,-0.2 -0.202 65.4 -94.3 -53.4 140.3 20.4 -6.7 16.5 61 61 A Y + 0 0 50 91,-2.5 92,-0.0 87,-0.2 88,-0.0 -0.271 41.2 177.0 -61.5 142.2 16.9 -6.9 17.9 62 62 A R - 0 0 62 -3,-0.1 5,-0.1 -6,-0.0 86,-0.0 -0.980 50.3 -85.1-134.2 142.6 16.2 -6.0 21.5 63 63 A P >> - 0 0 41 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.139 27.2-145.5 -57.1 127.0 12.5 -6.1 22.5 64 64 A L H 3> S+ 0 0 11 1,-0.3 4,-3.2 2,-0.2 5,-0.3 0.887 102.1 62.9 -57.8 -33.5 10.8 -3.0 21.7 65 65 A R H 3> S+ 0 0 97 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.897 106.5 46.2 -53.3 -45.4 8.7 -3.5 24.9 66 66 A D H <> S+ 0 0 65 -3,-0.6 4,-2.3 1,-0.2 -1,-0.2 0.852 112.6 48.3 -68.0 -38.5 12.1 -3.1 26.7 67 67 A I H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.896 114.7 44.8 -67.0 -44.8 13.2 -0.1 24.7 68 68 A L H X S+ 0 0 10 -4,-3.2 4,-2.4 2,-0.2 -2,-0.2 0.916 113.8 50.4 -69.9 -39.4 9.8 1.7 25.3 69 69 A E H X S+ 0 0 31 -4,-2.6 4,-3.2 -5,-0.3 -2,-0.2 0.898 108.0 53.8 -60.6 -40.6 9.8 0.7 29.0 70 70 A E H X S+ 0 0 100 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.931 110.6 46.7 -60.2 -48.3 13.3 2.1 29.2 71 71 A V H X S+ 0 0 12 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.942 111.3 49.7 -56.1 -44.4 12.1 5.4 27.8 72 72 A X H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.891 110.5 51.3 -67.7 -41.1 9.1 5.6 30.0 73 73 A R H X S+ 0 0 111 -4,-3.2 4,-2.5 2,-0.2 -1,-0.2 0.887 108.8 51.0 -60.3 -40.2 11.3 4.9 33.1 74 74 A K H X S+ 0 0 128 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.895 112.4 47.0 -60.4 -45.2 13.7 7.6 32.1 75 75 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 6,-0.3 0.894 110.1 51.9 -68.6 -37.0 10.7 10.0 31.8 76 76 A A H X>S+ 0 0 5 -4,-2.4 4,-1.6 2,-0.2 5,-1.1 0.922 113.7 43.9 -64.8 -41.4 9.2 8.9 35.1 77 77 A E H <5S+ 0 0 166 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.922 113.5 52.3 -67.8 -46.7 12.6 9.6 36.8 78 78 A K H <5S+ 0 0 124 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.893 121.2 30.7 -48.7 -49.6 13.0 12.9 34.9 79 79 A Y H <5S- 0 0 51 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.458 106.7-117.6 -99.8 -13.1 9.5 14.2 35.9 80 80 A G T <5 + 0 0 49 -4,-1.6 2,-0.2 1,-0.3 -3,-0.2 0.569 68.3 129.6 87.4 14.4 9.2 12.6 39.3 81 81 A F < - 0 0 15 -5,-1.1 2,-0.4 -6,-0.3 -1,-0.3 -0.611 66.7 -94.0 -98.2 163.7 6.1 10.4 38.5 82 82 A K - 0 0 164 -2,-0.2 -1,-0.1 -52,-0.1 -5,-0.0 -0.652 36.2-121.4 -81.3 125.3 5.8 6.7 39.3 83 83 A Y - 0 0 13 -2,-0.4 2,-0.6 -10,-0.1 -10,-0.1 -0.545 28.1-127.7 -62.9 125.1 6.7 4.4 36.4 84 84 A P > - 0 0 17 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.611 11.4-154.1 -82.2 118.8 3.6 2.3 35.7 85 85 A E T 3 S+ 0 0 111 -2,-0.6 3,-0.3 1,-0.3 4,-0.1 0.698 94.5 55.4 -65.7 -21.7 4.7 -1.3 35.7 86 86 A N T 3> + 0 0 69 1,-0.2 4,-2.3 2,-0.1 -1,-0.3 -0.026 67.8 123.6 -99.7 28.6 1.8 -2.1 33.4 87 87 A F H <> S+ 0 0 0 -3,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.866 71.9 56.1 -53.6 -42.9 2.7 0.4 30.7 88 88 A W H > S+ 0 0 35 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.919 111.2 44.3 -57.4 -48.3 2.8 -2.3 28.1 89 89 A E H > S+ 0 0 131 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.811 112.2 50.5 -64.4 -36.7 -0.8 -3.2 29.0 90 90 A I H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.917 109.6 52.8 -66.0 -39.2 -2.0 0.3 29.1 91 91 A S H X S+ 0 0 11 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.908 111.2 46.3 -64.8 -38.5 -0.4 0.9 25.7 92 92 A L H X S+ 0 0 70 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.923 110.8 50.9 -69.1 -44.6 -2.2 -2.1 24.3 93 93 A R H X S+ 0 0 124 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.879 114.8 42.9 -62.5 -37.9 -5.6 -1.1 25.7 94 94 A X H X S+ 0 0 18 -4,-2.2 4,-3.0 2,-0.2 5,-0.4 0.909 113.1 51.3 -77.9 -38.5 -5.4 2.5 24.4 95 95 A S H X S+ 0 0 38 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.891 109.3 52.9 -62.9 -42.2 -4.1 1.5 21.0 96 96 A Q H < S+ 0 0 92 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.910 117.1 35.8 -59.5 -43.3 -6.9 -1.0 20.7 97 97 A R H < S+ 0 0 57 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.895 131.8 24.8 -81.6 -37.1 -9.7 1.5 21.5 98 98 A Y H < S+ 0 0 86 -4,-3.0 -76,-0.2 -5,-0.2 -3,-0.2 0.593 89.6 108.1-112.3 -11.5 -8.3 4.6 19.8 99 99 A G < - 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0 0 7 -95,-2.4 3,-2.3 -98,-0.4 6,-0.1 -0.594 54.6 -55.0 -80.3 151.0 15.7 -4.1 13.0 155 155 A K T 3 S+ 0 0 3 1,-0.3 -97,-1.7 -2,-0.2 -96,-0.3 -0.315 118.7 36.2 -50.9 145.9 15.1 -2.3 9.7 156 156 A P T 3 S+ 0 0 32 0, 0.0 -1,-0.3 0, 0.0 35,-0.1 -0.903 88.9 112.2 -86.2 23.5 17.0 -1.6 7.5 157 157 A H S X> S- 0 0 44 -3,-2.3 3,-1.0 1,-0.2 4,-0.7 -0.295 70.2-130.6 -57.4 137.8 18.9 -4.8 8.2 158 158 A P H 3> S+ 0 0 47 0, 0.0 4,-3.0 0, 0.0 3,-0.4 0.790 96.3 73.0 -58.5 -31.9 18.5 -7.1 5.2 159 159 A R H 3> S+ 0 0 126 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.838 90.9 56.8 -61.0 -32.1 17.5 -10.1 7.2 160 160 A I H <> S+ 0 0 0 -3,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.933 113.5 40.6 -64.0 -39.8 14.1 -8.8 8.1 161 161 A F H X S+ 0 0 0 -4,-0.7 4,-2.9 -3,-0.4 5,-0.3 0.922 112.3 54.9 -68.9 -39.3 13.3 -8.4 4.4 162 162 A E H X S+ 0 0 91 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.882 108.4 49.9 -62.7 -40.8 14.9 -11.6 3.5 163 163 A L H X S+ 0 0 53 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.950 110.7 48.3 -60.8 -45.9 12.7 -13.4 6.1 164 164 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.902 111.0 50.9 -60.8 -45.0 9.6 -11.9 4.7 165 165 A L H X>S+ 0 0 12 -4,-2.9 5,-1.9 1,-0.2 4,-1.5 0.842 110.6 50.7 -60.4 -33.7 10.6 -12.8 1.1 166 166 A K H <5S+ 0 0 167 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.928 107.3 51.4 -73.5 -39.2 11.2 -16.4 2.3 167 167 A K H <5S+ 0 0 85 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.858 116.8 41.6 -60.4 -35.0 7.8 -16.6 4.0 168 168 A A H <5S- 0 0 23 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.697 105.2-131.7 -89.8 -16.0 6.3 -15.4 0.7 169 169 A G T <5 + 0 0 54 -4,-1.5 2,-0.3 1,-0.3 -3,-0.2 0.858 64.6 122.0 65.0 40.6 8.6 -17.6 -1.5 170 170 A V < - 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0 0 53 1,-0.2 4,-2.7 2,-0.1 5,-1.6 -0.913 61.5-161.4-114.5 109.2 10.4 5.7 6.8 182 182 A P T 4>S+ 0 0 8 0, 0.0 5,-2.2 0, 0.0 -1,-0.2 0.892 89.5 37.6 -62.3 -44.6 12.5 6.5 3.7 183 183 A V T 4>S+ 0 0 72 3,-0.2 5,-1.0 4,-0.1 -2,-0.1 0.956 125.2 35.3 -67.5 -55.1 15.8 5.2 5.2 184 184 A K T 45S+ 0 0 25 3,-0.2 -1,-0.1 -29,-0.1 5,-0.1 0.871 132.7 24.9 -71.3 -42.2 14.6 2.2 7.2 185 185 A D T X5S+ 0 0 3 -4,-2.7 4,-2.3 3,-0.2 5,-0.2 0.915 130.6 33.2 -93.5 -55.0 11.8 1.1 4.8 186 186 A C H >4<>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-1.6 0.866 104.0 62.8 -66.1 -35.3 14.0 -2.9 1.1 190 190 A K H ><5S+ 0 0 92 -4,-2.1 3,-2.1 1,-0.3 -1,-0.2 0.812 89.9 68.7 -62.2 -25.2 16.0 -1.7 -1.9 191 191 A N T <<5S+ 0 0 114 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.751 101.0 47.5 -70.5 -14.7 19.0 -3.8 -0.7 192 192 A L T < 5S- 0 0 29 -3,-1.6 -1,-0.3 -4,-0.4 -20,-0.2 0.377 124.7-103.7-101.7 6.9 17.1 -6.9 -1.5 193 193 A G T < 5S+ 0 0 17 -3,-2.1 -3,-0.2 1,-0.3 -18,-0.2 0.541 72.9 149.2 86.4 8.6 16.1 -5.5 -4.9 194 194 A X < - 0 0 1 -5,-1.8 2,-0.5 -6,-0.1 -1,-0.3 -0.412 54.4-111.9 -71.3 152.1 12.6 -4.8 -3.7 195 195 A T E -d 176 0A 26 -20,-2.7 -18,-2.7 -23,-0.4 2,-0.4 -0.779 37.9-143.5 -78.8 123.2 10.6 -1.8 -5.3 196 196 A S E -d 177 0A 1 -2,-0.5 18,-1.7 -20,-0.2 2,-0.5 -0.740 18.6-173.6 -99.4 137.9 10.3 0.8 -2.5 197 197 A I E -de 178 214A 0 -20,-2.6 -18,-2.2 -2,-0.4 2,-0.5 -0.991 11.1-152.4-129.0 124.8 7.2 3.0 -1.9 198 198 A L E -de 179 215A 0 16,-3.2 18,-3.1 -2,-0.5 2,-0.7 -0.865 6.2-147.9 -96.0 130.7 7.2 5.8 0.6 199 199 A L E + e 0 216A 3 -20,-2.7 2,-0.4 -2,-0.5 18,-0.2 -0.831 30.1 160.7 -88.2 114.4 4.0 6.8 2.1 200 200 A D + 0 0 3 16,-3.1 3,-0.5 -2,-0.7 -2,-0.1 -0.817 10.8 178.4-133.4 91.5 4.3 10.5 2.8 201 201 A R S S+ 0 0 58 -2,-0.4 -1,-0.1 1,-0.2 16,-0.1 0.815 80.9 31.4 -68.2 -32.6 0.8 11.7 3.2 202 202 A K S S- 0 0 157 0, 0.0 -1,-0.2 0, 0.0 15,-0.1 0.323 105.8-113.8-104.4 3.3 1.7 15.3 3.9 203 203 A G S > S+ 0 0 21 -3,-0.5 3,-0.6 13,-0.1 -2,-0.1 0.846 73.2 137.4 61.9 32.1 4.9 15.7 1.8 204 204 A E T 3 + 0 0 149 1,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.560 63.4 53.3 -79.4 -15.0 6.8 16.1 5.1 205 205 A K T > + 0 0 47 1,-0.2 3,-2.8 2,-0.1 4,-0.3 0.065 62.4 126.7-116.8 20.7 9.7 13.9 4.2 206 206 A R G X + 0 0 165 -3,-0.6 3,-1.3 1,-0.3 4,-0.4 0.784 65.0 72.7 -47.3 -32.6 10.7 15.5 0.8 207 207 A E G 3 S+ 0 0 152 1,-0.3 -1,-0.3 -3,-0.2 3,-0.1 0.733 108.3 32.1 -55.7 -23.3 14.2 15.8 2.2 208 208 A F G X S+ 0 0 74 -3,-2.8 3,-2.0 1,-0.1 -1,-0.3 0.221 81.8 111.1-124.0 13.2 14.5 11.9 1.8 209 209 A W G X + 0 0 69 -3,-1.3 3,-1.8 1,-0.3 -2,-0.1 0.789 70.0 68.5 -58.2 -31.7 12.3 11.3 -1.3 210 210 A D G 3 S+ 0 0 126 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.610 88.7 64.7 -65.7 -10.8 15.4 10.4 -3.3 211 211 A K G < S+ 0 0 106 -3,-2.0 2,-0.4 2,-0.0 -1,-0.3 0.474 97.7 69.5 -87.4 1.9 15.9 7.3 -1.2 212 212 A C < - 0 0 15 -3,-1.8 -15,-0.1 1,-0.1 3,-0.1 -0.925 69.5-143.7-127.7 141.1 12.6 5.8 -2.6 213 213 A D S S+ 0 0 83 -2,-0.4 2,-0.3 1,-0.2 -16,-0.2 0.916 91.0 13.0 -64.9 -42.0 11.4 4.5 -5.9 214 214 A F E -e 197 0A 71 -18,-1.7 -16,-3.2 2,-0.0 2,-0.5 -0.969 62.7-155.0-136.2 149.5 7.9 6.0 -5.5 215 215 A I E -e 198 0A 46 -2,-0.3 2,-0.3 -18,-0.2 -16,-0.2 -0.999 17.7-179.5-127.9 126.1 6.3 8.4 -3.2 216 216 A V E -e 199 0A 3 -18,-3.1 -16,-3.1 -2,-0.5 -13,-0.1 -0.934 26.5-161.0-119.0 151.7 2.6 8.2 -2.6 217 217 A S S S+ 0 0 62 -2,-0.3 2,-0.3 1,-0.2 -18,-0.1 0.523 87.5 33.7-102.3 -5.3 0.4 10.3 -0.4 218 218 A D S > S- 0 0 27 -18,-0.1 3,-1.5 -114,-0.0 4,-0.3 -0.995 78.9-127.8-147.4 138.1 -2.4 7.7 -0.3 219 219 A L T >> S+ 0 0 0 -2,-0.3 3,-1.7 1,-0.3 4,-0.6 0.712 99.4 79.0 -68.4 -13.6 -2.0 3.9 -0.4 220 220 A R H >> S+ 0 0 124 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.848 83.9 64.7 -64.0 -23.3 -4.4 3.5 -3.3 221 221 A E H <> S+ 0 0 58 -3,-1.5 4,-3.2 1,-0.2 -1,-0.3 0.742 85.9 74.4 -68.9 -16.7 -1.5 4.6 -5.5 222 222 A V H <> S+ 0 0 0 -3,-1.7 4,-2.6 -4,-0.3 -1,-0.2 0.945 97.7 44.2 -59.7 -42.6 0.2 1.3 -4.5 223 223 A I H