==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-SEP-08 3EE4 . COMPND 2 MOLECULE: PROBABLE RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.S.ANDERSSON,T.A.JONES,M.HOGBOM . 289 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 81.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 5 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 175 60.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 5.2 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 0 0 0 1 1 1 0 3 0 1 0 0 0 0 0 0 1 0 0 0 1 0 1 0 1 0 1 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 2 A T 0 0 175 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 48.2 19.3 42.9 -12.3 2 3 A R + 0 0 178 1,-0.1 3,-0.1 3,-0.0 0, 0.0 -0.342 360.0 156.2 -96.1 143.4 18.2 40.3 -14.9 3 4 A T + 0 0 139 1,-0.3 2,-0.3 -2,-0.1 -1,-0.1 0.668 68.8 14.7-125.9 -34.9 18.8 39.8 -18.7 4 5 A R - 0 0 162 5,-0.0 2,-0.5 0, 0.0 -1,-0.3 -0.920 63.2-126.5-142.0 170.1 18.3 36.1 -19.6 5 6 A S > - 0 0 53 -2,-0.3 3,-1.8 1,-0.1 4,-0.2 -0.981 6.1-153.3-129.8 118.0 16.7 33.0 -18.1 6 7 A G G > S+ 0 0 29 -2,-0.5 3,-1.3 1,-0.3 -1,-0.1 0.773 94.9 63.3 -55.2 -31.8 18.7 29.8 -17.8 7 8 A S G 3 S+ 0 0 76 1,-0.3 -1,-0.3 -3,-0.1 6,-0.1 0.650 99.7 54.5 -74.1 -13.6 15.5 27.7 -18.0 8 9 A L G < S+ 0 0 138 -3,-1.8 -1,-0.3 4,-0.1 -2,-0.2 0.400 80.7 124.6 -99.7 -2.9 14.9 29.0 -21.5 9 10 A A S X S- 0 0 37 -3,-1.3 3,-2.2 -4,-0.2 2,-0.1 -0.191 75.9 -89.8 -58.1 147.7 18.3 28.0 -23.0 10 11 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 -0.377 118.0 21.0 -50.0 129.8 18.4 25.8 -26.1 11 12 A G T 3 S- 0 0 85 -3,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.466 106.7-128.1 84.2 -4.6 18.5 22.2 -24.9 12 13 A G < - 0 0 39 -3,-2.2 2,-0.3 2,-0.1 -4,-0.1 -0.186 56.7 -17.2 69.5-149.8 17.0 23.1 -21.6 13 14 A L - 0 0 39 -6,-0.1 2,-1.0 74,-0.0 3,-0.1 -0.723 65.3-118.1 -91.6 149.4 18.6 22.0 -18.3 14 15 A N > - 0 0 84 -2,-0.3 3,-2.0 1,-0.2 6,-0.3 -0.685 24.1-170.7 -92.1 101.8 21.2 19.2 -18.2 15 16 A W T 3 S+ 0 0 182 -2,-1.0 -1,-0.2 1,-0.3 9,-0.1 0.660 82.7 62.9 -68.6 -16.1 19.6 16.6 -15.9 16 17 A A T 3 S+ 0 0 66 4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.490 76.6 110.4 -86.0 -7.6 22.9 14.7 -15.9 17 18 A S S <> S- 0 0 11 -3,-2.0 4,-2.4 1,-0.1 3,-0.3 -0.419 80.4-116.3 -70.1 146.8 24.8 17.6 -14.1 18 19 A L H > S+ 0 0 43 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.918 111.7 51.1 -49.4 -52.6 25.7 16.8 -10.5 19 20 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.877 113.3 45.8 -61.4 -34.9 23.6 19.5 -8.9 20 21 A L H > S+ 0 0 6 -3,-0.3 4,-2.4 -6,-0.3 -2,-0.2 0.839 110.9 52.4 -74.2 -31.8 20.5 18.3 -10.8 21 22 A K H X S+ 0 0 125 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.921 111.8 47.3 -66.1 -43.1 21.2 14.7 -10.0 22 23 A L H X S+ 0 0 22 -4,-2.8 4,-2.8 2,-0.2 -2,-0.2 0.922 110.3 52.1 -61.4 -42.5 21.4 15.6 -6.3 23 24 A F H X S+ 0 0 48 -4,-2.1 4,-1.8 -5,-0.2 -2,-0.2 0.932 110.1 47.8 -58.9 -47.6 18.2 17.6 -6.5 24 25 A A H X S+ 0 0 57 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.898 111.5 52.8 -62.8 -38.4 16.4 14.6 -8.1 25 26 A G H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.909 107.7 49.9 -60.2 -44.8 17.9 12.5 -5.3 26 27 A G H < S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.789 111.2 49.8 -64.5 -32.8 16.6 14.8 -2.6 27 28 A N H >< S+ 0 0 99 -4,-1.8 3,-0.9 -5,-0.2 -2,-0.2 0.896 112.4 45.8 -71.3 -44.7 13.2 14.7 -4.2 28 29 A A H 3< S+ 0 0 88 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.841 120.0 40.8 -65.0 -33.6 13.2 10.9 -4.3 29 30 A K T 3< S+ 0 0 107 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.140 79.6 145.3-106.7 18.3 14.4 10.5 -0.8 30 31 A F < - 0 0 84 -3,-0.9 2,-0.4 -5,-0.1 -3,-0.1 -0.334 32.6-158.7 -57.0 134.1 12.4 13.3 0.8 31 32 A W - 0 0 18 -2,-0.1 -2,-0.1 165,-0.1 3,-0.1 -0.916 11.8-128.7-124.8 146.6 11.4 12.3 4.3 32 33 A H > - 0 0 96 -2,-0.4 3,-1.9 1,-0.1 4,-0.4 -0.809 1.4-151.6 -96.0 121.9 8.7 13.6 6.6 33 34 A P G > S+ 0 0 15 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.886 99.7 62.0 -57.2 -30.9 9.5 14.8 10.1 34 35 A A G 3 S+ 0 0 92 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.664 94.7 63.1 -74.9 -11.2 6.0 13.7 11.1 35 36 A D G < S+ 0 0 114 -3,-1.9 2,-0.5 2,-0.1 -1,-0.3 0.633 80.4 96.2 -84.9 -15.0 6.9 10.1 10.1 36 37 A I S < S- 0 0 10 -3,-1.8 2,-0.8 -4,-0.4 153,-0.1 -0.656 75.2-135.2 -81.4 125.7 9.5 9.9 12.8 37 38 A D + 0 0 85 -2,-0.5 3,-0.2 1,-0.2 155,-0.1 -0.749 35.1 163.3 -83.8 113.8 8.2 8.2 15.9 38 39 A F >> + 0 0 23 -2,-0.8 3,-1.1 1,-0.1 4,-0.7 0.397 48.7 100.7-102.4 -1.7 9.3 10.2 19.0 39 40 A T T 34 S+ 0 0 124 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.544 83.5 45.0 -73.2 -2.7 6.8 8.7 21.3 40 41 A R T 3> S+ 0 0 144 -3,-0.2 4,-1.2 2,-0.1 -1,-0.3 0.593 92.0 77.9-113.0 -14.9 9.3 6.3 22.9 41 42 A D H <> S+ 0 0 0 -3,-1.1 4,-2.8 1,-0.2 5,-0.2 0.844 85.9 60.0 -69.3 -34.7 12.3 8.5 23.5 42 43 A R H X S+ 0 0 113 -4,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.928 102.8 52.9 -61.7 -39.9 11.0 10.3 26.6 43 44 A A H > S+ 0 0 57 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.911 113.9 42.3 -61.6 -42.6 10.7 7.0 28.5 44 45 A D H >X S+ 0 0 14 -4,-1.2 4,-0.8 1,-0.2 3,-0.6 0.906 112.0 56.0 -66.0 -44.9 14.4 6.1 27.6 45 46 A W H >< S+ 0 0 16 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.895 104.9 51.8 -55.1 -41.8 15.5 9.7 28.4 46 47 A E H 3< S+ 0 0 123 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.746 104.2 57.7 -73.6 -21.5 14.0 9.5 31.9 47 48 A K H << S+ 0 0 176 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.663 89.8 93.4 -83.2 -14.2 15.9 6.3 32.6 48 49 A L S << S- 0 0 10 -3,-0.9 2,-0.1 -4,-0.8 -3,-0.0 -0.204 82.8-103.2 -70.9 169.4 19.3 7.9 31.9 49 50 A S > - 0 0 53 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.402 32.0-105.2 -79.8 167.5 21.5 9.5 34.6 50 51 A D H > S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.906 123.2 50.1 -57.1 -46.1 21.8 13.2 35.2 51 52 A D H > S+ 0 0 78 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.899 109.0 50.5 -61.8 -42.7 25.2 13.1 33.6 52 53 A E H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.927 112.9 46.8 -64.3 -43.9 24.0 11.2 30.5 53 54 A R H X S+ 0 0 57 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.883 111.6 52.2 -63.9 -39.5 21.1 13.7 30.0 54 55 A D H X S+ 0 0 47 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.952 111.5 45.3 -60.6 -51.1 23.5 16.6 30.5 55 56 A Y H X S+ 0 0 24 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.926 115.4 46.0 -60.2 -46.9 25.9 15.3 27.9 56 57 A A H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.840 111.0 53.4 -68.9 -31.6 23.2 14.5 25.3 57 58 A T H X S+ 0 0 8 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.926 109.9 48.2 -67.5 -41.9 21.5 17.8 25.9 58 59 A R H X S+ 0 0 24 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.897 112.1 48.9 -67.5 -37.5 24.8 19.6 25.2 59 60 A L H X S+ 0 0 15 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.932 112.4 48.8 -66.4 -42.7 25.3 17.5 22.0 60 61 A C H X S+ 0 0 0 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.864 108.8 53.3 -62.6 -38.4 21.8 18.2 20.9 61 62 A T H X S+ 0 0 5 -4,-2.2 4,-2.2 2,-0.2 5,-0.3 0.926 108.3 49.3 -63.8 -46.9 22.3 21.9 21.5 62 63 A Q H X S+ 0 0 33 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.917 114.3 48.5 -58.4 -41.8 25.5 22.0 19.4 63 64 A F H X S+ 0 0 17 -4,-2.3 4,-3.0 2,-0.2 -2,-0.2 0.958 111.9 43.8 -62.8 -55.5 23.6 20.2 16.7 64 65 A I H X S+ 0 0 20 -4,-3.1 4,-2.2 1,-0.2 5,-0.2 0.897 114.4 49.0 -68.8 -40.0 20.5 22.3 16.5 65 66 A A H X S+ 0 0 16 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.839 111.9 52.0 -60.1 -30.0 22.3 25.6 16.7 66 67 A G H X S+ 0 0 9 -4,-1.4 4,-2.4 -5,-0.3 5,-0.2 0.919 109.0 48.4 -75.4 -42.9 24.6 24.3 13.9 67 68 A E H X S+ 0 0 9 -4,-3.0 4,-2.5 2,-0.2 -2,-0.2 0.913 112.6 48.8 -56.2 -49.0 21.6 23.4 11.7 68 69 A E H X S+ 0 0 99 -4,-2.2 4,-2.1 -5,-0.2 5,-0.3 0.940 110.4 51.7 -56.8 -47.4 20.1 26.8 12.3 69 70 A A H X S+ 0 0 9 -4,-2.2 4,-3.7 1,-0.2 -2,-0.2 0.915 111.8 44.9 -57.8 -43.7 23.5 28.4 11.5 70 71 A V H X S+ 0 0 4 -4,-2.4 4,-1.7 1,-0.2 5,-0.2 0.920 107.6 58.6 -72.3 -38.5 23.9 26.5 8.1 71 72 A T H < S+ 0 0 26 -4,-2.5 4,-0.3 -5,-0.2 -1,-0.2 0.915 117.6 34.1 -51.1 -43.5 20.2 27.2 7.2 72 73 A E H >< S+ 0 0 113 -4,-2.1 3,-1.3 1,-0.2 -2,-0.2 0.946 118.8 49.3 -78.7 -46.7 21.1 30.9 7.5 73 74 A D H 3< S+ 0 0 17 -4,-3.7 4,-0.2 1,-0.3 -2,-0.2 0.546 95.5 69.4 -81.8 -5.3 24.6 30.9 6.3 74 75 A I T >X S+ 0 0 0 -4,-1.7 3,-1.8 1,-0.2 4,-0.8 0.717 78.9 86.2 -79.4 -21.9 24.1 28.9 3.0 75 76 A Q H X> S+ 0 0 89 -3,-1.3 4,-1.3 1,-0.3 3,-1.2 0.838 77.8 57.5 -55.5 -47.7 22.2 31.7 1.5 76 77 A P H 3> S+ 0 0 10 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.746 99.4 63.7 -54.7 -23.9 25.2 33.8 0.1 77 78 A F H <> S+ 0 0 0 -3,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.858 97.6 54.4 -68.9 -33.3 26.2 30.7 -1.9 78 79 A M H S+ 0 0 0 -4,-2.1 5,-2.8 2,-0.2 4,-0.4 0.904 108.9 50.7 -68.8 -38.5 25.7 30.7 -8.1 82 83 A R H ><5S+ 0 0 119 -4,-2.0 3,-1.6 1,-0.2 -2,-0.2 0.950 109.3 50.9 -65.4 -41.7 23.4 33.3 -9.6 83 84 A A H 3<5S+ 0 0 72 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.870 110.6 49.0 -64.9 -34.0 26.5 35.5 -10.3 84 85 A E T 3<5S- 0 0 72 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.536 115.0-119.4 -80.8 -4.4 28.2 32.6 -12.0 85 86 A G T < 5 + 0 0 66 -3,-1.6 2,-0.8 -4,-0.4 -3,-0.2 0.864 65.0 143.6 64.2 40.5 25.1 31.9 -14.1 86 87 A R >< + 0 0 40 -5,-2.8 4,-2.2 1,-0.2 -1,-0.2 -0.727 18.1 168.9-116.7 85.3 24.7 28.4 -12.7 87 88 A L H > S+ 0 0 52 -2,-0.8 4,-2.9 1,-0.2 5,-0.2 0.897 75.8 56.8 -66.3 -40.5 20.9 27.8 -12.4 88 89 A A H > S+ 0 0 17 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.928 109.6 45.7 -60.3 -42.3 21.3 24.1 -11.7 89 90 A D H > S+ 0 0 2 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.904 111.6 52.5 -65.6 -40.0 23.5 24.8 -8.7 90 91 A E H X S+ 0 0 54 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.940 109.3 49.5 -58.2 -45.6 21.1 27.5 -7.5 91 92 A M H >X S+ 0 0 50 -4,-2.9 4,-1.3 2,-0.2 3,-0.6 0.947 110.8 50.8 -57.2 -49.5 18.2 25.1 -7.7 92 93 A Y H >X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.3 3,-0.7 0.953 105.9 54.6 -56.7 -46.3 20.3 22.5 -5.7 93 94 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 -1,-0.3 0.793 100.0 60.4 -63.0 -27.5 21.1 25.0 -3.0 94 95 A T H S+ 0 0 0 -4,-2.5 5,-2.8 1,-0.2 4,-0.6 0.923 112.3 47.5 -58.2 -43.0 13.9 18.3 22.3 112 113 A D H ><5S+ 0 0 89 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.909 109.0 55.0 -63.8 -39.9 10.2 19.0 22.7 113 114 A A H 3<5S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.823 109.4 46.5 -65.0 -34.1 9.5 15.2 22.8 114 115 A V H 3<5S- 0 0 6 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.507 121.8-106.3 -89.5 -2.4 12.0 14.6 25.7 115 116 A G T <<5 + 0 0 39 -3,-1.0 2,-0.8 -4,-0.6 -3,-0.2 0.649 64.1 152.6 90.6 19.4 10.6 17.6 27.6 116 117 A I < + 0 0 19 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.755 3.7 145.2 -86.1 115.5 13.4 20.2 27.1 117 118 A S + 0 0 115 -2,-0.8 -1,-0.2 2,-0.1 3,-0.1 0.481 34.6 105.0-126.4 -7.4 12.0 23.7 27.4 118 119 A E S S- 0 0 86 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 -0.268 85.3 -87.3 -73.2 157.9 14.7 25.8 29.0 119 120 A D - 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0 0 37 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.127 68.5-107.5 -65.5 161.1 34.9 34.5 -7.0 151 152 A P H > S+ 0 0 56 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.922 121.2 52.4 -57.0 -39.4 36.1 30.9 -7.3 152 153 A A H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.911 110.1 47.5 -64.6 -41.0 38.6 31.6 -4.4 153 154 A A H > S+ 0 0 4 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.899 112.0 51.0 -67.1 -40.5 35.8 32.9 -2.1 154 155 A Q H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.887 109.4 49.6 -60.4 -44.3 33.6 29.9 -3.0 155 156 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.934 111.0 49.1 -65.3 -45.2 36.3 27.5 -2.2 156 157 A R H X S+ 0 0 91 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.938 114.9 46.1 -58.0 -41.0 37.0 29.1 1.2 157 158 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 1,-0.2 5,-0.3 0.896 111.4 50.2 -72.7 -39.0 33.3 29.0 2.0 158 159 A S H X>S+ 0 0 0 -4,-2.7 4,-1.6 2,-0.2 5,-1.6 0.872 108.2 53.3 -68.2 -39.0 32.8 25.5 0.8 159 160 A V H <>S+ 0 0 0 -4,-2.5 5,-2.2 3,-0.2 4,-0.5 0.966 114.4 42.6 -56.6 -48.9 35.8 24.3 3.0 160 161 A T H <>S+ 0 0 1 -4,-2.1 5,-2.4 -5,-0.2 -2,-0.2 0.928 126.5 30.8 -64.5 -46.4 34.2 26.0 6.0 161 162 A Y H <>S+ 0 0 0 -4,-2.7 5,-2.2 3,-0.2 6,-0.2 0.978 132.5 22.9 -80.2 -61.8 30.6 24.8 5.4 162 163 A N I <>S+ 0 0 0 -4,-1.6 5,-1.9 -5,-0.3 -3,-0.2 0.873 128.5 36.0 -83.4 -39.3 30.9 21.5 3.6 163 164 A H I XS+ 0 0 3 -5,-2.2 5,-3.0 -6,-0.3 4,-1.5 0.881 128.6 38.2 -97.9 -62.3 34.7 21.2 8.1 165 166 A V I 4XS+ 0 0 8 -5,-2.4 5,-2.7 -6,-0.3 -3,-0.2 0.970 138.4 16.8 -61.3 -47.2 31.3 22.0 9.6 166 167 A E I 4XS+ 0 0 3 -5,-2.2 5,-1.8 3,-0.2 -3,-0.2 0.962 130.6 46.8 -85.4 -53.6 29.5 19.0 7.7 167 168 A G T 4S+ 0 0 1 -4,-2.6 5,-2.3 -5,-0.2 4,-0.6 0.818 105.9 65.2-103.9 -35.4 22.2 5.1 21.2 182 183 A V T ><5S+ 0 0 46 -4,-2.0 3,-0.8 -5,-0.3 -3,-0.1 0.927 103.1 38.2 -72.5 -55.6 22.9 2.0 19.2 183 184 A E T 345S+ 0 0 175 -5,-0.5 -1,-0.2 1,-0.3 -2,-0.1 0.879 121.3 47.9 -70.3 -32.6 24.4 -0.6 21.5 184 185 A R T 345S- 0 0 113 -5,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 0.589 104.3-134.8 -79.1 -9.9 22.0 0.4 24.3 185 186 A A T <<5 + 0 0 70 -3,-0.8 2,-0.3 -4,-0.6 -3,-0.2 0.943 55.7 141.4 56.0 48.2 19.1 0.3 21.9 186 187 A I < + 0 0 19 -5,-2.3 -1,-0.2 1,-0.2 5,-0.2 -0.802 42.1 22.7-115.8 166.1 17.8 3.7 23.1 187 188 A L > - 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0 0 86 -4,-1.4 3,-2.8 -3,-0.3 4,-0.4 -0.831 57.4-147.1-166.2 113.6 42.7 26.8 -11.8 220 221 A D T >> S+ 0 0 69 1,-0.3 3,-1.1 -2,-0.3 4,-1.0 0.706 95.6 76.0 -61.9 -15.8 45.3 25.2 -9.6 221 222 A A H 3> S+ 0 0 50 1,-0.3 4,-1.4 2,-0.2 -1,-0.3 0.789 87.7 62.8 -61.1 -28.9 45.5 28.5 -7.5 222 223 A N H <> S+ 0 0 11 -3,-2.8 4,-2.4 -7,-0.3 -1,-0.3 0.731 92.4 61.5 -72.1 -19.0 42.2 27.3 -6.1 223 224 A W H <> S+ 0 0 21 -3,-1.1 4,-3.0 -4,-0.4 5,-0.3 0.904 102.2 53.7 -68.0 -38.4 44.0 24.2 -4.6 224 225 A T H X S+ 0 0 84 -4,-1.0 4,-2.5 2,-0.2 5,-0.2 0.930 109.3 47.0 -56.3 -48.9 46.0 26.7 -2.7 225 226 A V H X S+ 0 0 21 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.924 114.0 47.6 -61.8 -51.5 42.9 28.3 -1.3 226 227 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.923 114.1 44.7 -53.3 -52.8 41.4 24.9 -0.4 227 228 A E H X S+ 0 0 82 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.911 114.3 49.1 -65.7 -42.1 44.5 23.5 1.3 228 229 A T H X S+ 0 0 70 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.934 112.6 46.4 -62.6 -47.9 45.2 26.7 3.3 229 230 A R H X S+ 0 0 18 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.922 112.6 50.5 -68.0 -40.6 41.6 27.1 4.5 230 231 A M H X S+ 0 0 0 -4,-2.5 4,-2.8 -5,-0.2 -1,-0.2 0.949 110.8 48.7 -58.1 -47.8 41.4 23.4 5.5 231 232 A N H < S+ 0 0 85 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.864 110.5 52.8 -67.0 -30.0 44.7 23.6 7.5 232 233 A E H < S+ 0 0 108 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.861 117.7 35.4 -66.8 -42.0 43.4 26.8 9.2 233 234 A L H X S+ 0 0 6 -4,-1.9 4,-2.7 -3,-0.2 3,-0.4 0.750 96.3 77.1 -91.0 -28.4 40.2 25.2 10.4 234 235 A I H X S+ 0 0 12 -4,-2.8 4,-2.3 1,-0.2 5,-0.2 0.941 99.2 47.1 -52.1 -45.7 41.2 21.5 11.2 235 236 A P H > S+ 0 0 70 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.847 111.2 51.6 -67.9 -27.6 42.8 22.6 14.5 236 237 A L H > S+ 0 0 6 -3,-0.4 4,-1.7 -4,-0.4 -2,-0.2 0.901 109.9 49.0 -73.6 -39.0 39.8 24.7 15.4 237 238 A A H X S+ 0 0 0 -4,-2.7 4,-1.5 2,-0.2 -1,-0.2 0.910 111.3 49.6 -63.6 -40.5 37.5 21.9 14.8 238 239 A L H X S+ 0 0 35 -4,-2.3 4,-2.7 -5,-0.3 -2,-0.2 0.871 107.1 55.0 -69.3 -34.6 39.6 19.6 16.9 239 240 A R H X S+ 0 0 104 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.882 103.6 56.2 -64.4 -35.6 39.7 22.2 19.7 240 241 A L H X S+ 0 0 13 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.936 109.9 45.1 -59.8 -43.2 35.9 22.2 19.7 241 242 A I H X S+ 0 0 15 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.937 113.3 50.3 -69.5 -43.4 35.9 18.4 20.2 242 243 A E H X S+ 0 0 84 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.904 107.8 51.9 -61.5 -42.0 38.6 18.7 22.9 243 244 A E H X S+ 0 0 37 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.890 107.8 53.8 -65.9 -41.6 36.7 21.5 24.8 244 245 A G H < S+ 0 0 12 -4,-1.8 4,-0.4 -5,-0.2 -1,-0.2 0.902 111.3 44.3 -56.4 -44.1 33.6 19.3 24.9 245 246 A F H ><>S+ 0 0 5 -4,-2.1 5,-2.4 1,-0.2 3,-1.6 0.889 107.3 60.0 -65.4 -39.6 35.5 16.4 26.4 246 247 A A H ><5S+ 0 0 58 -4,-2.3 3,-2.0 1,-0.3 -2,-0.2 0.868 94.1 63.5 -63.1 -33.4 37.2 18.6 28.9 247 248 A L T 3<5S+ 0 0 68 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.767 106.4 46.2 -63.2 -21.8 33.9 19.7 30.5 248 249 A Y T X 5S- 0 0 26 -3,-1.6 3,-1.6 -4,-0.4 -1,-0.3 0.012 126.3 -97.1-109.5 25.9 33.4 16.1 31.5 249 250 A G T < 5 - 0 0 60 -3,-2.0 -3,-0.2 1,-0.3 -2,-0.1 0.679 69.4 -72.6 69.3 19.4 36.8 15.5 32.9 250 251 A D T 3 S+ 0 0 14 0, 0.0 3,-1.3 0, 0.0 -5,-0.0 -0.087 106.7 51.2 -65.7 175.1 29.2 9.4 30.0 254 255 A F T 3 S- 0 0 15 1,-0.3 -73,-0.0 -74,-0.1 -202,-0.0 0.679 120.8 -87.5 65.5 17.9 28.4 6.7 27.5 255 256 A D T 3 + 0 0 157 -3,-0.5 -1,-0.3 1,-0.2 2,-0.1 0.742 69.6 176.0 58.2 28.5 32.0 5.6 27.7 256 257 A L < - 0 0 9 -3,-1.3 2,-0.6 -4,-0.2 -1,-0.2 -0.409 22.7-139.8 -66.6 133.1 33.0 8.0 24.9 257 258 A S > - 0 0 56 1,-0.2 4,-2.4 -2,-0.1 5,-0.2 -0.875 5.1-153.8-101.1 120.1 36.8 8.0 24.3 258 259 A K H > S+ 0 0 51 -2,-0.6 4,-2.4 -8,-0.5 5,-0.2 0.934 97.7 48.8 -54.4 -48.5 38.4 11.4 23.7 259 260 A D H > S+ 0 0 102 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.893 109.6 52.2 -63.7 -40.2 41.2 9.9 21.7 260 261 A D H > S+ 0 0 50 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.900 112.0 46.8 -57.6 -43.5 38.8 7.8 19.6 261 262 A F H X S+ 0 0 5 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.877 111.6 49.0 -75.6 -35.7 36.8 11.0 18.8 262 263 A L H X S+ 0 0 27 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.892 113.5 48.1 -65.6 -40.8 39.9 13.0 17.9 263 264 A Q H X S+ 0 0 137 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.932 112.8 49.2 -64.8 -43.5 41.2 10.2 15.7 264 265 A Y H X S+ 0 0 61 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.921 114.2 43.4 -60.4 -50.4 37.8 9.9 14.0 265 266 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.909 113.1 51.7 -64.5 -42.7 37.4 13.6 13.3 266 267 A T H X S+ 0 0 43 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.944 110.7 49.6 -59.4 -45.2 41.0 14.0 12.2 267 268 A D H X S+ 0 0 70 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.914 109.2 51.9 -59.6 -44.4 40.5 11.1 9.8 268 269 A K H < S+ 0 0 23 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.890 114.7 42.0 -60.6 -42.4 37.3 12.7 8.5 269 270 A G H >X S+ 0 0 0 -4,-2.5 3,-1.0 2,-0.2 4,-0.5 0.920 115.4 49.8 -68.6 -44.2 39.1 16.0 7.8 270 271 A M H >X S+ 0 0 101 -4,-3.0 3,-1.1 1,-0.3 4,-0.7 0.889 103.3 58.4 -65.4 -39.4 42.2 14.4 6.4 271 272 A R H 3X S+ 0 0 124 -4,-2.6 4,-0.9 1,-0.3 -1,-0.3 0.696 93.9 71.5 -66.8 -16.9 40.3 12.2 4.0 272 273 A R H <> S+ 0 0 25 -3,-1.0 4,-0.7 -4,-0.4 -1,-0.3 0.866 87.9 59.9 -64.9 -39.6 38.9 15.3 2.5 273 274 A F H XX S+ 0 0 31 -3,-1.1 4,-3.1 -4,-0.5 3,-1.2 0.897 101.2 52.2 -60.1 -47.7 42.0 16.5 0.8 274 275 A G H 3X S+ 0 0 41 -4,-0.7 4,-1.5 1,-0.3 -1,-0.2 0.866 103.9 58.2 -60.1 -35.4 42.5 13.5 -1.4 275 276 A T H 3< S+ 0 0 52 -4,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.682 116.0 34.5 -70.0 -23.8 39.0 13.8 -2.7 276 277 A I H X< S+ 0 0 0 -3,-1.2 3,-2.1 -4,-0.7 4,-0.3 0.748 109.0 62.8 -96.2 -36.7 39.7 17.3 -3.9 277 278 A S H >< S+ 0 0 45 -4,-3.1 3,-1.6 1,-0.3 -2,-0.2 0.799 89.8 70.1 -65.4 -25.0 43.4 16.9 -5.0 278 279 A N T 3< S+ 0 0 78 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.1 0.680 89.1 65.0 -64.1 -15.2 42.4 14.3 -7.6 279 280 A A T X S+ 0 0 0 -3,-2.1 3,-1.9 2,-0.1 -1,-0.3 0.679 75.0 113.3 -81.8 -16.6 40.8 17.2 -9.5 280 281 A R T < S+ 0 0 108 -3,-1.6 -63,-0.1 -4,-0.3 -64,-0.0 -0.353 88.3 5.0 -60.6 124.3 44.2 18.9 -10.1 281 282 A G T 3 S+ 0 0 75 -65,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.454 98.6 130.6 85.4 -2.8 45.1 18.8 -13.7 282 283 A R < - 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