==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 22-FEB-06 2CFM . COMPND 2 MOLECULE: THERMOSTABLE DNA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR H.NISHIDA,Y.ISHINO,K.MORIKAWA . 561 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24459.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 407 72.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 96 17.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 35 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 191 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.1 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 2 1 0 1 5 4 3 1 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 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 PARALLEL BRIDGES PER LADDER . 4 1 2 5 2 2 0 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 . 1 0 0 1 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 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 48 0, 0.0 112,-2.7 0, 0.0 113,-0.5 0.000 360.0 360.0 360.0 135.6 75.5 4.7 24.9 2 2 A R B >> -A 112 0A 30 110,-0.3 3,-1.0 1,-0.1 4,-0.9 -0.443 360.0-132.8 -75.5 142.9 74.0 7.0 27.5 3 3 A Y H 3> S+ 0 0 1 108,-2.5 4,-2.8 1,-0.2 5,-0.2 0.776 105.3 72.4 -62.8 -24.0 70.4 8.2 27.2 4 4 A L H 3> S+ 0 0 68 107,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.881 92.0 54.0 -57.7 -40.1 71.9 11.6 27.9 5 5 A E H <> S+ 0 0 88 -3,-1.0 4,-1.3 2,-0.2 -1,-0.2 0.882 110.6 46.3 -63.7 -35.7 73.4 11.7 24.4 6 6 A L H X S+ 0 0 0 -4,-0.9 4,-2.5 2,-0.2 -2,-0.2 0.903 111.5 50.9 -73.4 -40.5 70.0 11.0 22.9 7 7 A A H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.897 109.1 52.8 -61.9 -38.6 68.4 13.6 25.2 8 8 A Q H X S+ 0 0 76 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.813 107.2 51.8 -65.8 -31.0 71.1 16.0 23.9 9 9 A L H X S+ 0 0 7 -4,-1.3 4,-2.9 2,-0.2 5,-0.2 0.933 107.7 51.4 -69.7 -47.7 70.1 15.2 20.4 10 10 A Y H X S+ 0 0 0 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.925 110.6 50.2 -54.4 -44.7 66.5 15.9 21.0 11 11 A Q H X S+ 0 0 63 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.927 110.9 46.8 -61.5 -46.4 67.5 19.3 22.5 12 12 A K H < S+ 0 0 116 -4,-2.0 3,-0.3 1,-0.2 4,-0.2 0.900 111.1 53.7 -62.8 -39.5 69.6 20.2 19.5 13 13 A L H >< S+ 0 0 0 -4,-2.9 3,-1.1 1,-0.2 152,-0.3 0.894 108.2 49.2 -62.2 -39.8 66.8 19.1 17.2 14 14 A E H 3< S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.757 103.6 62.6 -71.6 -21.6 64.4 21.4 19.0 15 15 A K T 3< S+ 0 0 155 -4,-1.3 2,-0.4 -3,-0.3 -1,-0.2 0.409 100.3 57.7 -87.0 5.2 66.8 24.3 18.7 16 16 A T < - 0 0 26 -3,-1.1 149,-0.2 -4,-0.2 0, 0.0 -0.982 53.7-165.2-134.1 147.0 66.9 24.4 14.9 17 17 A T + 0 0 129 -2,-0.4 2,-0.6 5,-0.0 -1,-0.1 0.444 62.7 109.4-101.5 -7.1 64.1 24.9 12.4 18 18 A X > - 0 0 100 1,-0.1 4,-2.7 2,-0.0 3,-0.3 -0.608 56.7-157.7 -82.0 118.7 66.3 23.7 9.6 19 19 A K H > S+ 0 0 85 -2,-0.6 4,-2.6 1,-0.2 5,-0.2 0.894 95.5 52.3 -58.5 -40.4 65.6 20.4 8.1 20 20 A L H > S+ 0 0 108 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.847 110.8 47.1 -64.9 -35.6 69.2 20.1 6.8 21 21 A I H > S+ 0 0 83 -3,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.911 112.3 50.0 -71.6 -43.0 70.6 20.7 10.2 22 22 A K H X S+ 0 0 28 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.918 109.7 51.7 -60.1 -42.1 68.2 18.2 11.7 23 23 A T H X S+ 0 0 4 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.928 111.4 47.2 -59.7 -44.3 69.2 15.6 9.1 24 24 A R H X S+ 0 0 108 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.910 111.1 50.9 -62.8 -49.4 72.9 16.2 9.9 25 25 A L H X S+ 0 0 34 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.934 113.8 44.3 -56.1 -48.3 72.3 16.0 13.7 26 26 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.905 113.6 50.5 -65.3 -42.3 70.4 12.7 13.3 27 27 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 -2,-0.2 0.932 110.1 49.3 -62.0 -46.5 73.0 11.3 10.9 28 28 A D H X S+ 0 0 67 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.910 113.2 47.7 -60.4 -40.5 75.9 12.1 13.1 29 29 A F H >X S+ 0 0 16 -4,-2.0 3,-1.8 -5,-0.3 4,-1.2 0.950 107.4 55.0 -64.6 -48.4 74.1 10.5 16.0 30 30 A L H 3< S+ 0 0 0 -4,-3.0 3,-0.5 1,-0.3 -1,-0.2 0.868 102.5 59.1 -53.9 -37.6 73.2 7.4 14.0 31 31 A K H 3< S+ 0 0 69 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.773 108.1 44.9 -62.0 -28.0 76.9 7.0 13.3 32 32 A K H << S+ 0 0 136 -3,-1.8 -1,-0.2 -4,-0.7 -2,-0.2 0.635 86.2 109.5 -92.0 -16.0 77.6 6.8 17.0 33 33 A V S < S- 0 0 3 -4,-1.2 5,-0.1 -3,-0.5 2,-0.0 -0.361 78.6-109.6 -61.5 133.8 74.8 4.4 17.9 34 34 A P >> - 0 0 45 0, 0.0 3,-2.6 0, 0.0 4,-0.8 -0.391 30.7-111.9 -63.3 146.0 76.1 0.9 18.9 35 35 A D G >4 S+ 0 0 70 1,-0.3 3,-1.3 2,-0.2 4,-0.4 0.868 116.3 57.2 -46.8 -43.3 75.1 -1.7 16.2 36 36 A D G 34 S+ 0 0 88 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.401 102.2 55.2 -76.4 8.2 72.7 -3.4 18.5 37 37 A H G X> S+ 0 0 6 -3,-2.6 4,-2.7 2,-0.1 3,-1.5 0.540 84.0 87.4-107.3 -14.8 70.7 -0.2 19.1 38 38 A L T << S+ 0 0 0 -3,-1.3 162,-0.2 -4,-0.8 163,-0.2 0.826 76.7 64.0 -56.7 -35.6 70.1 0.4 15.4 39 39 A E T 34 S+ 0 0 108 -4,-0.4 158,-0.3 1,-0.2 159,-0.3 0.736 122.2 17.6 -65.1 -21.8 66.9 -1.7 15.2 40 40 A F T X> S+ 0 0 20 -3,-1.5 4,-1.8 157,-0.2 3,-0.7 0.597 101.1 88.2-122.3 -16.8 65.1 0.6 17.5 41 41 A I H 3X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.2 0.845 83.1 60.3 -56.5 -36.1 67.0 3.8 17.6 42 42 A P H 3> S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.921 107.0 46.6 -60.2 -38.4 65.2 5.4 14.6 43 43 A Y H <4>S+ 0 0 4 -3,-0.7 5,-3.5 1,-0.2 3,-0.4 0.931 111.2 50.5 -68.8 -41.4 61.9 5.1 16.4 44 44 A L H ><5S+ 0 0 2 -4,-1.8 3,-1.2 3,-0.3 -1,-0.2 0.866 106.8 56.1 -63.0 -33.7 63.4 6.6 19.6 45 45 A I H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.845 106.2 49.6 -65.7 -32.6 64.8 9.4 17.5 46 46 A L T 3<5S- 0 0 40 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.407 125.6-110.5 -81.7 -0.2 61.2 10.1 16.3 47 47 A G T < 5S+ 0 0 0 -3,-1.2 115,-0.3 1,-0.3 2,-0.3 0.748 83.3 118.4 75.9 23.4 60.4 10.0 20.0 48 48 A E < - 0 0 82 -5,-3.5 -1,-0.3 -6,-0.2 -2,-0.2 -0.845 57.1-151.9-117.5 155.3 58.5 6.7 19.6 49 49 A V S S+ 0 0 9 -2,-0.3 -5,-0.2 1,-0.2 -6,-0.2 0.812 79.9 21.6 -94.2 -35.3 59.2 3.4 21.1 50 50 A F S S- 0 0 12 -7,-0.2 -1,-0.2 6,-0.1 5,-0.0 -0.871 88.0 -92.2-130.8 164.0 57.8 1.2 18.4 51 51 A P > - 0 0 16 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.358 46.5-108.3 -68.0 154.7 56.9 1.4 14.7 52 52 A E T 3 S+ 0 0 94 1,-0.3 221,-0.4 2,-0.1 3,-0.4 0.765 118.3 58.1 -58.2 -24.9 53.3 2.5 14.1 53 53 A W T 3 S+ 0 0 23 141,-0.2 -1,-0.3 1,-0.2 218,-0.1 0.469 80.2 95.4 -86.2 1.8 52.4 -1.0 12.9 54 54 A D < - 0 0 26 -3,-2.1 -1,-0.2 1,-0.1 2,-0.1 0.801 69.6-148.9 -65.7 -34.2 53.5 -2.7 16.2 55 55 A E + 0 0 118 -3,-0.4 -1,-0.1 1,-0.3 2,-0.1 -0.058 64.3 110.9 88.2 -37.1 50.2 -3.0 18.2 56 56 A R + 0 0 88 -2,-0.1 -1,-0.3 3,-0.0 2,-0.3 -0.411 44.7 174.3 -70.2 146.5 52.2 -2.6 21.4 57 57 A E - 0 0 142 67,-0.4 2,-0.6 -3,-0.1 0, 0.0 -0.989 39.7-112.8-152.8 146.8 51.6 0.6 23.3 58 58 A L - 0 0 23 -2,-0.3 2,-1.4 100,-0.1 66,-0.2 -0.707 27.6-148.3 -75.6 120.1 52.6 2.1 26.6 59 59 A G + 0 0 27 -2,-0.6 2,-0.6 64,-0.3 -1,-0.1 -0.213 54.3 131.2 -86.4 52.0 49.3 2.1 28.4 60 60 A V - 0 0 12 -2,-1.4 2,-0.1 98,-0.3 -2,-0.1 -0.901 35.3-174.1-113.5 115.9 50.5 5.2 30.3 61 61 A G > - 0 0 39 -2,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.388 45.7 -90.4 -94.9 175.7 48.5 8.4 30.6 62 62 A E H > S+ 0 0 115 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.897 125.6 50.4 -51.5 -46.6 49.5 11.8 32.1 63 63 A K H > S+ 0 0 154 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 111.1 46.4 -60.2 -49.7 48.3 10.8 35.5 64 64 A L H > S+ 0 0 21 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.893 113.3 50.9 -61.0 -38.6 50.1 7.5 35.6 65 65 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.936 110.5 48.0 -62.0 -50.1 53.3 9.2 34.3 66 66 A I H X S+ 0 0 1 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.867 109.6 54.3 -58.7 -38.6 53.0 11.9 37.0 67 67 A K H X S+ 0 0 88 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.924 109.6 46.9 -63.1 -44.1 52.5 9.1 39.6 68 68 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.912 113.7 47.4 -65.0 -42.4 55.6 7.4 38.5 69 69 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 6,-0.4 0.913 110.8 51.6 -65.8 -41.1 57.7 10.6 38.5 70 70 A A H X S+ 0 0 16 -4,-2.9 4,-2.4 1,-0.2 5,-0.4 0.931 111.7 48.1 -60.3 -42.7 56.3 11.5 41.9 71 71 A X H < S+ 0 0 113 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.880 114.9 45.3 -64.3 -39.5 57.3 8.1 43.2 72 72 A A H < S+ 0 0 9 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.777 122.0 35.0 -76.6 -27.4 60.8 8.4 41.6 73 73 A T H < S- 0 0 6 -4,-2.4 -2,-0.2 2,-0.2 31,-0.2 0.642 96.9-124.0-102.9 -19.7 61.4 11.9 42.8 74 74 A G S < S+ 0 0 66 -4,-2.4 2,-0.5 1,-0.3 -3,-0.1 0.511 71.6 129.2 85.5 2.7 59.8 12.1 46.2 75 75 A I - 0 0 19 -5,-0.4 -1,-0.3 -6,-0.4 -2,-0.2 -0.820 66.1-106.5 -96.2 131.0 57.8 15.1 44.9 76 76 A D > - 0 0 109 -2,-0.5 4,-2.3 1,-0.1 5,-0.2 -0.174 16.2-129.6 -55.6 141.4 54.0 15.0 45.3 77 77 A A H > S+ 0 0 40 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.907 113.0 55.2 -57.4 -41.1 51.9 14.4 42.3 78 78 A K H > S+ 0 0 163 1,-0.2 4,-3.5 2,-0.2 -1,-0.2 0.916 106.3 50.5 -59.7 -42.2 49.9 17.4 43.3 79 79 A E H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.911 110.5 48.3 -62.7 -42.3 53.1 19.5 43.3 80 80 A I H X S+ 0 0 2 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.923 113.5 48.8 -62.2 -42.8 54.0 18.2 39.9 81 81 A E H X S+ 0 0 64 -4,-2.9 4,-1.0 1,-0.2 3,-0.3 0.927 111.1 48.9 -61.3 -48.4 50.5 19.1 38.8 82 82 A E H X S+ 0 0 89 -4,-3.5 4,-0.7 1,-0.2 3,-0.4 0.860 107.0 57.4 -61.4 -33.4 50.8 22.6 40.4 83 83 A S H >X S+ 0 0 23 -4,-2.3 4,-2.5 1,-0.2 3,-0.9 0.873 99.0 58.8 -63.9 -37.5 54.1 23.0 38.6 84 84 A V H 3X S+ 0 0 38 -4,-1.5 4,-2.8 -3,-0.3 -1,-0.2 0.805 98.0 60.7 -62.2 -29.8 52.4 22.4 35.2 85 85 A K H 3< S+ 0 0 147 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.809 114.6 34.3 -67.9 -28.3 50.2 25.4 35.9 86 86 A D H << S+ 0 0 147 -3,-0.9 -2,-0.2 -4,-0.7 -1,-0.2 0.736 126.0 39.4 -95.8 -28.4 53.3 27.6 36.1 87 87 A T H < S- 0 0 51 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.788 87.2-146.2 -91.5 -32.6 55.4 25.9 33.5 88 88 A G S < S+ 0 0 65 -4,-2.8 2,-0.3 -5,-0.3 -4,-0.1 0.552 74.8 81.4 75.4 6.3 52.6 25.2 31.0 89 89 A D > - 0 0 52 -6,-0.2 4,-2.0 1,-0.1 5,-0.2 -0.923 64.1-155.7-148.8 121.1 54.4 21.9 30.1 90 90 A L H > S+ 0 0 12 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.898 98.1 56.4 -61.1 -41.4 54.4 18.6 31.9 91 91 A G H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.937 109.7 44.7 -55.2 -49.3 57.8 17.6 30.4 92 92 A E H > S+ 0 0 72 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.855 114.1 50.0 -63.8 -36.9 59.4 20.7 31.9 93 93 A S H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.832 108.8 51.5 -71.7 -33.2 57.7 20.2 35.2 94 94 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.899 107.1 54.0 -69.3 -37.3 58.9 16.6 35.3 95 95 A A H X S+ 0 0 9 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.887 108.8 49.9 -60.9 -39.8 62.4 17.8 34.7 96 96 A L H X S+ 0 0 97 -4,-1.6 4,-2.6 2,-0.2 -1,-0.2 0.915 108.2 51.2 -65.6 -43.6 62.0 20.1 37.7 97 97 A A H X S+ 0 0 6 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.953 113.2 45.8 -58.6 -48.0 60.8 17.3 39.9 98 98 A V H X S+ 0 0 0 -4,-2.7 4,-0.5 1,-0.2 -1,-0.2 0.849 110.9 53.4 -63.5 -33.9 63.8 15.3 38.9 99 99 A K H >< S+ 0 0 38 -4,-2.1 3,-0.8 1,-0.2 -1,-0.2 0.887 110.8 46.4 -67.3 -39.4 66.0 18.3 39.4 100 100 A K H >< S+ 0 0 102 -4,-2.6 3,-2.1 1,-0.2 4,-0.3 0.772 95.6 75.2 -72.8 -27.6 64.6 18.7 42.9 101 101 A K H >X S+ 0 0 6 -4,-1.8 4,-2.4 1,-0.3 3,-1.5 0.782 77.2 79.4 -55.6 -26.9 65.0 15.0 43.6 102 102 A K T << S+ 0 0 48 -3,-0.8 4,-0.3 -4,-0.5 -1,-0.3 0.773 81.3 65.5 -51.1 -32.4 68.8 15.7 43.9 103 103 A Q T <4 S+ 0 0 101 -3,-2.1 -1,-0.3 1,-0.2 3,-0.2 0.827 116.0 24.4 -62.7 -35.1 68.1 17.0 47.4 104 104 A K T <4 S+ 0 0 97 -3,-1.5 -2,-0.2 -4,-0.3 -1,-0.2 0.661 140.2 21.7-104.8 -22.3 67.1 13.5 48.7 105 105 A S < + 0 0 55 -4,-2.4 -1,-0.2 -32,-0.1 -2,-0.2 -0.582 69.4 173.3-149.0 78.8 68.9 11.2 46.2 106 106 A F + 0 0 127 -4,-0.3 2,-0.4 -3,-0.2 -4,-0.1 0.765 54.8 66.3 -60.4 -40.7 71.8 13.1 44.6 107 107 A F - 0 0 156 -5,-0.1 2,-0.3 3,-0.0 -1,-0.0 -0.771 62.6-161.1 -96.8 132.6 73.6 10.4 42.5 108 108 A S - 0 0 17 -2,-0.4 37,-0.1 37,-0.1 38,-0.1 -0.714 24.3-127.9-102.3 154.8 72.0 8.7 39.5 109 109 A Q - 0 0 123 -2,-0.3 36,-0.0 1,-0.0 -2,-0.0 -0.940 53.4-106.5 -98.7 106.8 73.1 5.5 37.9 110 110 A P - 0 0 103 0, 0.0 36,-0.1 0, 0.0 2,-0.1 -0.046 31.9-117.5 -44.0 123.0 73.4 7.0 34.4 111 111 A L - 0 0 2 34,-0.6 -108,-2.5 31,-0.1 -107,-0.6 -0.375 24.7-151.7 -65.4 135.4 70.6 5.9 32.1 112 112 A T B > -A 2 0A 58 -110,-0.3 4,-2.2 -109,-0.2 -110,-0.3 -0.770 23.5-123.0-103.6 155.9 71.6 4.0 29.1 113 113 A I H > S+ 0 0 0 -112,-2.7 4,-3.1 -2,-0.3 5,-0.3 0.923 115.3 57.1 -60.5 -40.5 69.5 4.0 25.9 114 114 A K H > S+ 0 0 73 -113,-0.5 4,-3.2 1,-0.2 5,-0.3 0.927 106.7 46.9 -55.4 -47.4 69.3 0.3 26.3 115 115 A R H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.910 113.6 48.0 -64.8 -39.9 67.8 0.5 29.8 116 116 A V H X S+ 0 0 0 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.957 115.2 44.8 -65.7 -47.3 65.3 3.1 28.7 117 117 A Y H X S+ 0 0 43 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.962 113.7 48.5 -62.4 -50.9 64.3 1.2 25.6 118 118 A Q H X S+ 0 0 100 -4,-3.2 4,-2.1 -5,-0.3 -1,-0.2 0.872 112.9 50.3 -58.2 -34.9 64.0 -2.1 27.5 119 119 A T H X S+ 0 0 23 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.946 109.5 48.6 -68.1 -47.3 62.0 -0.5 30.2 120 120 A L H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 5,-0.2 0.921 111.5 51.0 -60.6 -39.9 59.5 1.1 27.8 121 121 A V H X S+ 0 0 9 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.938 110.3 48.8 -62.8 -44.1 59.1 -2.2 26.0 122 122 A K H X S+ 0 0 87 -4,-2.1 4,-0.6 -5,-0.2 -1,-0.2 0.896 110.2 52.8 -61.8 -38.8 58.4 -3.9 29.3 123 123 A V H >< S+ 0 0 1 -4,-2.7 3,-1.2 1,-0.2 -64,-0.3 0.948 109.5 47.4 -61.0 -49.6 55.9 -1.2 30.2 124 124 A A H 3< S+ 0 0 11 -4,-2.7 -67,-0.4 1,-0.3 -1,-0.2 0.878 112.7 49.7 -61.2 -35.6 54.1 -1.7 27.0 125 125 A E H 3< S+ 0 0 106 -4,-2.2 2,-1.1 -5,-0.2 -1,-0.3 0.528 87.9 94.3 -83.1 -4.1 54.0 -5.5 27.4 126 126 A T << + 0 0 26 -3,-1.2 -67,-0.2 -4,-0.6 9,-0.1 -0.759 39.8 124.8 -90.5 97.1 52.7 -5.2 31.0 127 127 A T + 0 0 72 -2,-1.1 4,-0.2 7,-0.0 -1,-0.2 0.360 38.8 107.4-132.3 -0.7 49.0 -5.5 30.5 128 128 A G S S- 0 0 67 -3,-0.2 3,-0.4 2,-0.1 4,-0.1 0.781 89.2 -41.7 -50.6-129.2 48.1 -8.4 32.9 129 129 A E S S+ 0 0 109 1,-0.2 2,-1.3 2,-0.1 3,-0.3 0.958 136.5 13.6 -70.9 -89.0 46.3 -8.0 36.2 130 130 A G S > S+ 0 0 47 1,-0.2 4,-1.7 2,-0.1 3,-0.4 -0.297 80.5 149.6 -86.3 52.9 47.6 -5.0 37.9 131 131 A S H > + 0 0 20 -2,-1.3 4,-3.0 -3,-0.4 5,-0.2 0.881 64.8 59.6 -51.5 -44.4 49.4 -3.7 34.8 132 132 A Q H > S+ 0 0 84 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.900 106.4 44.4 -54.0 -48.8 49.0 -0.1 35.8 133 133 A D H > S+ 0 0 81 -3,-0.4 4,-2.1 2,-0.2 -1,-0.2 0.857 113.7 51.5 -65.4 -36.5 50.9 -0.4 39.1 134 134 A K H X S+ 0 0 22 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.925 109.8 49.3 -66.5 -44.2 53.6 -2.4 37.4 135 135 A K H X S+ 0 0 14 -4,-3.0 4,-2.4 1,-0.2 5,-0.3 0.912 109.4 52.1 -61.2 -42.9 54.0 0.3 34.7 136 136 A V H X S+ 0 0 1 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.937 111.2 48.0 -58.7 -44.3 54.2 3.0 37.3 137 137 A K H X S+ 0 0 118 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.892 110.5 49.5 -63.8 -43.7 57.0 1.0 39.1 138 138 A Y H X S+ 0 0 93 -4,-2.5 4,-1.3 2,-0.2 -1,-0.2 0.922 115.5 44.5 -61.9 -43.8 59.0 0.4 35.9 139 139 A L H X S+ 0 0 0 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.895 110.8 53.2 -68.7 -40.2 58.8 4.0 35.0 140 140 A A H X S+ 0 0 3 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.931 104.8 56.0 -60.1 -43.1 59.6 5.1 38.5 141 141 A D H < S+ 0 0 84 -4,-2.5 4,-0.4 1,-0.2 -1,-0.2 0.876 112.3 44.5 -54.5 -38.9 62.7 2.9 38.4 142 142 A L H >< S+ 0 0 0 -4,-1.3 3,-1.4 1,-0.2 4,-0.3 0.937 111.1 48.5 -73.4 -49.1 63.7 4.8 35.3 143 143 A F H >< S+ 0 0 0 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.790 98.0 72.7 -65.8 -22.8 63.0 8.4 36.4 144 144 A X T 3< S+ 0 0 80 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.779 107.0 35.4 -59.1 -29.5 64.9 7.7 39.6 145 145 A D T < S+ 0 0 21 -3,-1.4 -34,-0.6 -4,-0.4 -1,-0.3 0.308 95.4 115.2-108.1 8.4 68.1 7.8 37.6 146 146 A A < - 0 0 0 -3,-1.2 -3,-0.0 -4,-0.3 3,-0.0 -0.507 59.3-136.2 -83.5 147.9 67.2 10.5 35.1 147 147 A E > - 0 0 60 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.595 38.5-101.7 -89.3 158.3 68.8 13.8 34.8 148 148 A P H > S+ 0 0 36 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.910 122.4 49.5 -48.8 -50.0 66.3 16.7 34.3 149 149 A L H > S+ 0 0 39 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.928 112.8 48.0 -59.5 -43.5 66.9 17.0 30.6 150 150 A E H > S+ 0 0 5 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.926 108.3 54.7 -62.2 -44.6 66.5 13.2 30.2 151 151 A A H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.860 103.8 55.0 -58.1 -39.1 63.3 13.2 32.2 152 152 A K H X S+ 0 0 17 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.939 114.4 39.4 -61.5 -47.0 61.7 15.8 30.1 153 153 A Y H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.865 112.8 54.6 -74.3 -32.3 62.3 13.7 26.9 154 154 A L H X S+ 0 0 0 -4,-2.9 4,-2.9 2,-0.2 -2,-0.2 0.940 110.1 49.7 -62.6 -44.1 61.4 10.4 28.6 155 155 A A H X S+ 0 0 1 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.952 112.7 44.2 -59.0 -52.7 58.1 12.0 29.7 156 156 A R H X>S+ 0 0 28 -4,-2.2 5,-2.3 1,-0.2 4,-1.2 0.849 112.6 53.8 -62.8 -33.5 57.3 13.2 26.2 157 157 A T H <5S+ 0 0 6 -4,-2.4 3,-0.4 2,-0.2 -1,-0.2 0.941 109.6 47.2 -65.2 -46.4 58.4 9.9 24.7 158 158 A I H <5S+ 0 0 9 -4,-2.9 -98,-0.3 1,-0.2 -2,-0.2 0.896 117.4 42.9 -62.0 -38.9 56.0 8.1 27.1 159 159 A L H <5S- 0 0 44 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.582 108.6-122.9 -83.0 -11.7 53.2 10.5 26.2 160 160 A G T <5S+ 0 0 33 -4,-1.2 -3,-0.2 -3,-0.4 -4,-0.1 0.741 78.0 120.7 75.0 24.2 53.9 10.5 22.5 161 161 A T < + 0 0 71 -5,-2.3 -4,-0.2 -6,-0.2 -5,-0.1 0.206 27.3 141.4-105.9 14.6 54.3 14.3 22.6 162 162 A X - 0 0 24 -6,-0.7 -9,-0.0 -115,-0.3 -152,-0.0 -0.334 34.5-162.4 -57.6 136.4 57.8 14.6 21.4 163 163 A R + 0 0 173 2,-0.0 2,-0.4 -153,-0.0 -1,-0.1 -0.272 34.5 140.7-117.4 44.0 58.2 17.6 19.0 164 164 A T - 0 0 16 -118,-0.2 2,-0.7 2,-0.1 -150,-0.1 -0.710 58.0-127.5 -82.2 139.3 61.4 16.9 17.2 165 165 A G + 0 0 40 -2,-0.4 2,-0.7 -152,-0.3 -1,-0.1 0.017 66.1 131.7 -79.6 36.0 60.8 18.0 13.6 166 166 A V + 0 0 14 -2,-0.7 2,-0.2 -121,-0.2 -2,-0.1 -0.781 31.2 176.7 -94.8 114.2 62.0 14.7 12.4 167 167 A A > - 0 0 23 -2,-0.7 4,-2.8 291,-0.1 5,-0.2 -0.586 48.5 -93.3-106.9 173.0 59.7 13.1 9.8 168 168 A E H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.870 125.3 55.6 -53.3 -39.6 60.1 9.8 7.8 169 169 A G H > S+ 0 0 4 287,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.936 110.5 43.0 -59.7 -47.6 61.7 11.8 5.0 170 170 A L H > S+ 0 0 12 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.890 113.3 52.0 -67.4 -38.9 64.4 13.3 7.2 171 171 A L H X S+ 0 0 2 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.929 109.5 50.1 -64.8 -41.7 65.0 9.9 8.9 172 172 A R H X S+ 0 0 18 -4,-2.9 4,-2.2 -5,-0.2 -2,-0.2 0.950 113.3 46.3 -58.4 -48.0 65.4 8.3 5.6 173 173 A D H X S+ 0 0 27 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.854 110.6 53.8 -62.5 -36.3 67.9 11.0 4.6 174 174 A A H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -1,-0.2 0.881 108.1 48.5 -66.9 -40.0 69.7 10.7 7.9 175 175 A I H X S+ 0 0 0 -4,-2.4 4,-2.2 2,-0.2 6,-0.2 0.936 112.4 48.4 -65.4 -45.5 70.2 7.0 7.5 176 176 A A H <>S+ 0 0 11 -4,-2.2 5,-2.1 -5,-0.2 4,-0.5 0.927 116.6 44.0 -59.6 -43.6 71.5 7.5 4.0 177 177 A X H ><5S+ 0 0 66 -4,-2.5 3,-0.6 3,-0.2 -2,-0.2 0.904 112.3 51.7 -68.9 -42.7 73.8 10.3 5.2 178 178 A A H 3<5S+ 0 0 3 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.892 121.8 29.2 -63.3 -41.2 75.0 8.4 8.3 179 179 A F T 3<5S- 0 0 23 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.219 105.2-117.2-109.6 17.8 76.0 5.2 6.5 180 180 A H T < 5 + 0 0 147 -3,-0.6 2,-0.3 -4,-0.5 28,-0.3 0.921 66.6 139.7 47.3 55.4 77.0 6.6 3.2 181 181 A V < - 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