==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-DEC-12 3ZHX . COMPND 2 MOLECULE: 1-DEOXY-D-XYLULOSE 5-PHOSPHATE REDUCTOISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR C.BJORKELID,A.M.JANSSON,T.BERGFORS,T.UNGE,S.L.MOWBRAY,T.A.JO . 751 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 556 74.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 45 6.0 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 . 2 0.3 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 . 46 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 95 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 2 2 0 1 3 4 3 4 4 0 3 0 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 4 4 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 6 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 . 1 0 0 0 0 2 0 0 1 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 11 A G 0 0 114 0, 0.0 2,-0.5 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 -47.7 -9.4 28.3 -8.8 2 12 A R - 0 0 127 27,-0.1 2,-0.5 1,-0.0 27,-0.3 -0.588 360.0-149.2 -73.5 116.6 -6.7 30.6 -7.7 3 13 A L E -a 29 0A 44 25,-3.2 27,-2.8 -2,-0.5 2,-0.4 -0.749 12.2-135.0 -85.3 128.2 -3.8 28.8 -6.1 4 14 A R E -a 30 0A 77 -2,-0.5 84,-2.1 25,-0.2 85,-2.1 -0.727 26.4-159.4 -83.0 130.4 -2.0 30.9 -3.4 5 15 A V E -ab 31 89A 0 25,-3.6 27,-2.8 -2,-0.4 28,-0.7 -0.947 18.1-158.2-123.0 129.1 1.8 30.6 -3.9 6 16 A V E -ab 33 90A 0 83,-2.6 85,-3.5 -2,-0.4 2,-0.7 -0.910 16.6-156.3 -97.7 124.3 4.7 31.2 -1.6 7 17 A V E -ab 34 91A 0 26,-2.8 28,-1.7 -2,-0.6 3,-0.5 -0.889 6.2-166.8-105.7 107.6 7.9 31.9 -3.5 8 18 A L E S+ab 35 92A 0 83,-3.6 85,-2.4 -2,-0.7 28,-0.2 -0.820 78.3 19.2 -93.3 131.5 11.2 31.1 -1.6 9 19 A G S > S+ 0 0 9 26,-2.3 3,-1.0 -2,-0.5 6,-0.6 0.917 78.3 169.8 75.0 49.6 14.3 32.5 -3.2 10 20 A S T 3 + 0 0 0 25,-2.2 9,-0.2 -3,-0.5 26,-0.1 0.655 65.1 58.2 -69.3 -21.2 12.3 34.9 -5.3 11 21 A T T 3 S+ 0 0 28 24,-0.3 -1,-0.2 4,-0.2 25,-0.1 0.543 90.3 87.4 -91.2 -9.7 15.3 36.9 -6.6 12 22 A G S <> S- 0 0 37 -3,-1.0 4,-2.5 81,-0.1 5,-0.2 -0.194 98.4 -89.2 -78.3 179.8 17.0 34.0 -8.2 13 23 A S H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.922 126.4 42.3 -56.4 -52.4 16.5 32.7 -11.8 14 24 A I H > S+ 0 0 34 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.923 114.0 53.1 -63.8 -45.9 13.7 30.2 -10.9 15 25 A G H > S+ 0 0 0 -6,-0.6 4,-2.2 1,-0.2 -2,-0.2 0.920 110.9 44.9 -54.5 -50.8 12.0 32.7 -8.5 16 26 A T H X S+ 0 0 44 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.893 112.8 50.4 -65.9 -41.1 11.8 35.5 -11.1 17 27 A Q H X S+ 0 0 35 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.895 110.4 51.7 -62.4 -38.6 10.6 33.1 -13.9 18 28 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.886 105.9 53.4 -64.7 -41.6 7.9 31.9 -11.5 19 29 A L H X S+ 0 0 20 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.900 109.1 50.1 -60.0 -39.4 6.8 35.4 -10.7 20 30 A Q H X S+ 0 0 100 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.857 109.4 50.4 -67.0 -38.7 6.3 36.0 -14.5 21 31 A V H X S+ 0 0 4 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.940 113.5 46.1 -61.5 -46.4 4.3 32.8 -14.9 22 32 A I H >< S+ 0 0 9 -4,-2.6 3,-1.2 1,-0.2 7,-0.3 0.938 111.4 51.2 -63.9 -46.8 2.1 33.9 -12.0 23 33 A A H 3< S+ 0 0 71 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.837 110.4 50.0 -57.8 -34.4 1.8 37.5 -13.4 24 34 A D H 3< S+ 0 0 114 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.613 117.9 40.5 -79.2 -12.0 0.7 36.0 -16.8 25 35 A N XX + 0 0 34 -3,-1.2 4,-2.5 -4,-0.7 3,-1.0 -0.472 59.9 152.5-136.0 61.1 -1.9 33.7 -15.1 26 36 A P T 34 S+ 0 0 62 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.756 76.5 60.9 -68.8 -20.6 -3.7 35.7 -12.3 27 37 A D T 34 S+ 0 0 144 1,-0.1 3,-0.1 -3,-0.1 -2,-0.1 0.794 115.0 34.2 -69.8 -28.7 -6.8 33.5 -12.9 28 38 A R T <4 S+ 0 0 31 -3,-1.0 -25,-3.2 1,-0.2 2,-0.3 0.844 123.9 25.0 -92.4 -40.7 -4.6 30.4 -11.9 29 39 A F E < -a 3 0A 1 -4,-2.5 2,-0.4 -7,-0.3 -25,-0.2 -0.926 48.8-166.2-135.1 152.7 -2.2 31.8 -9.3 30 40 A E E -a 4 0A 71 -27,-2.8 -25,-3.6 -2,-0.3 2,-0.4 -0.996 23.7-131.9-135.8 130.5 -1.6 34.4 -6.6 31 41 A V E +a 5 0A 17 -2,-0.4 -25,-0.2 -27,-0.2 3,-0.1 -0.683 31.3 166.2 -76.4 128.5 1.7 35.3 -4.9 32 42 A V E + 0 0 26 -27,-2.8 2,-0.2 -2,-0.4 -26,-0.2 0.262 60.3 18.9-127.9 8.5 1.2 35.5 -1.2 33 43 A G E -a 6 0A 0 -28,-0.7 -26,-2.8 20,-0.1 2,-0.3 -0.851 55.0-162.4-177.8 139.2 4.8 35.5 0.1 34 44 A L E -ac 7 56A 0 21,-2.0 23,-2.3 -2,-0.2 2,-0.3 -0.971 5.2-174.3-128.7 146.4 8.4 36.1 -0.9 35 45 A A E +ac 8 57A 1 -28,-1.7 -26,-2.3 -2,-0.3 -25,-2.2 -0.998 11.6 159.6-138.4 139.2 11.7 35.1 0.6 36 46 A A E - c 0 58A 7 21,-2.2 23,-2.1 -2,-0.3 24,-0.2 -0.952 45.9-115.4-148.0 165.8 15.3 36.1 -0.4 37 47 A G - 0 0 39 -2,-0.3 23,-2.4 21,-0.2 26,-0.2 0.881 49.8-119.3 -69.9 -41.5 18.8 36.2 1.1 38 48 A G S > S+ 0 0 8 21,-0.2 3,-1.0 20,-0.1 4,-0.1 0.195 87.0 108.6 117.1 -13.4 19.1 40.0 0.8 39 49 A A T 3 S+ 0 0 93 1,-0.3 2,-0.3 2,-0.1 3,-0.2 0.854 89.8 39.4 -58.8 -36.8 22.1 40.1 -1.5 40 50 A H T 3> S+ 0 0 108 1,-0.2 4,-1.8 2,-0.1 3,-0.4 -0.491 71.6 149.0-111.5 59.5 19.7 41.3 -4.3 41 51 A L H <> + 0 0 13 -3,-1.0 4,-3.1 -2,-0.3 5,-0.3 0.873 68.5 64.1 -58.4 -40.6 17.6 43.6 -2.1 42 52 A D H > S+ 0 0 99 1,-0.2 4,-1.9 -3,-0.2 -1,-0.2 0.912 106.3 44.1 -46.0 -48.7 17.0 45.8 -5.2 43 53 A T H > S+ 0 0 15 -3,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.917 112.9 50.7 -66.0 -46.4 15.2 42.9 -6.8 44 54 A L H X S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.911 112.5 45.5 -59.9 -46.3 13.2 42.0 -3.7 45 55 A L H X S+ 0 0 59 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.860 113.1 51.3 -65.2 -37.2 12.0 45.6 -3.1 46 56 A R H X S+ 0 0 122 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.892 111.1 48.2 -64.7 -41.5 11.2 45.8 -6.9 47 57 A Q H X S+ 0 0 10 -4,-2.8 4,-2.4 2,-0.2 6,-0.4 0.867 108.7 53.3 -66.4 -40.0 9.2 42.5 -6.5 48 58 A R H X S+ 0 0 54 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.945 111.7 47.5 -56.2 -48.2 7.4 43.9 -3.4 49 59 A A H < S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 116.4 41.2 -58.9 -48.3 6.4 46.9 -5.5 50 60 A Q H < S+ 0 0 150 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.818 124.4 35.1 -75.4 -34.5 5.2 44.9 -8.6 51 61 A T H < S- 0 0 53 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.770 94.4-135.6 -88.5 -28.3 3.4 42.2 -6.7 52 62 A G < + 0 0 54 -4,-2.3 2,-0.5 -5,-0.4 -4,-0.1 0.325 53.9 147.4 84.7 -5.3 2.1 44.3 -3.8 53 63 A V + 0 0 18 -6,-0.4 -1,-0.3 1,-0.2 -2,-0.1 -0.503 23.1 171.5 -72.7 115.6 3.2 41.5 -1.5 54 64 A T + 0 0 102 -2,-0.5 2,-1.7 -3,-0.1 -1,-0.2 0.620 54.8 98.8 -95.6 -18.4 4.4 42.8 1.9 55 65 A N + 0 0 36 15,-0.1 -21,-2.0 16,-0.1 2,-0.3 -0.541 60.5 151.9 -71.8 86.5 4.6 39.4 3.4 56 66 A I E -c 34 0A 1 -2,-1.7 16,-1.3 -23,-0.2 2,-0.4 -0.901 37.1-153.3-129.8 147.8 8.3 39.0 2.9 57 67 A A E -cd 35 72A 0 -23,-2.3 -21,-2.2 -2,-0.3 2,-0.4 -0.976 7.9-167.1-122.6 136.0 11.3 37.2 4.5 58 68 A V E -cd 36 73A 0 14,-2.5 16,-1.6 -2,-0.4 -21,-0.2 -0.983 12.0-160.7-126.6 123.5 15.0 38.3 4.5 59 69 A A S S+ 0 0 33 -23,-2.1 2,-0.4 -2,-0.4 -21,-0.2 0.900 75.3 75.3 -66.4 -44.4 17.9 36.1 5.5 60 70 A D > - 0 0 78 -23,-2.4 4,-1.7 -24,-0.2 5,-0.1 -0.603 64.8-159.4 -77.4 122.1 20.4 38.9 6.1 61 71 A E H > S+ 0 0 95 -2,-0.4 4,-1.4 1,-0.2 -1,-0.1 0.828 93.7 48.4 -68.7 -34.7 19.8 40.8 9.3 62 72 A H H > S+ 0 0 136 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.752 112.0 49.7 -78.2 -26.4 21.7 43.8 8.2 63 73 A A H > S+ 0 0 1 2,-0.2 4,-0.5 -26,-0.2 -2,-0.2 0.785 110.0 49.9 -79.2 -32.0 19.9 43.9 4.9 64 74 A A H >X S+ 0 0 3 -4,-1.7 4,-3.5 1,-0.2 3,-0.8 0.829 105.9 57.8 -71.1 -33.8 16.5 43.6 6.7 65 75 A Q H 3< S+ 0 0 140 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.776 93.7 69.6 -60.8 -30.5 17.8 46.5 8.8 66 76 A R H 3< S+ 0 0 170 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 119.5 15.8 -60.3 -35.4 18.2 48.5 5.5 67 77 A V H << S- 0 0 46 -3,-0.8 -2,-0.2 -4,-0.5 -1,-0.2 0.704 81.1-163.9-107.0 -35.4 14.4 48.6 5.1 68 78 A G < + 0 0 64 -4,-3.5 -3,-0.1 -5,-0.1 -4,-0.1 0.609 69.8 94.5 59.6 13.9 13.3 47.7 8.7 69 79 A D + 0 0 114 -5,-0.3 -1,-0.1 3,-0.1 -4,-0.1 0.320 51.5 112.1-114.4 0.8 9.8 47.1 7.2 70 80 A I - 0 0 6 -6,-0.4 -15,-0.1 1,-0.1 -12,-0.1 -0.707 58.3-150.3 -89.0 117.9 10.3 43.3 6.6 71 81 A P S S+ 0 0 68 0, 0.0 2,-0.4 0, 0.0 -14,-0.1 0.734 84.4 42.9 -58.0 -27.6 8.1 41.1 8.8 72 82 A Y E +d 57 0A 37 -16,-1.3 -14,-2.5 2,-0.0 2,-0.3 -0.984 67.1 158.0-129.0 125.7 10.6 38.3 8.8 73 83 A H E +d 58 0A 78 -2,-0.4 -14,-0.2 -16,-0.2 3,-0.2 -0.988 31.8 50.3-143.5 150.3 14.4 38.6 9.2 74 84 A G S > S- 0 0 8 -16,-1.6 3,-1.4 -2,-0.3 4,-0.3 -0.572 96.6 -48.5 115.0-178.5 17.3 36.4 10.3 75 85 A S T 3 S+ 0 0 121 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.655 137.7 35.6 -68.5 -18.5 18.6 32.9 9.5 76 86 A D T 3> S+ 0 0 71 -3,-0.2 4,-2.1 -18,-0.1 -1,-0.3 0.063 80.8 114.9-121.8 22.3 15.2 31.2 9.9 77 87 A A H <> S+ 0 0 1 -3,-1.4 4,-1.6 1,-0.2 -2,-0.1 0.868 78.0 50.1 -59.8 -41.9 13.1 34.1 8.4 78 88 A A H > S+ 0 0 17 -4,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.913 109.5 51.0 -64.2 -44.9 12.0 31.9 5.4 79 89 A T H > S+ 0 0 15 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.913 110.9 48.4 -57.4 -46.2 11.0 29.0 7.6 80 90 A R H X S+ 0 0 76 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.777 107.6 55.4 -69.1 -29.3 8.8 31.3 9.8 81 91 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.911 109.0 47.8 -64.5 -45.3 7.2 32.8 6.7 82 92 A V H < S+ 0 0 2 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.923 109.7 52.5 -61.5 -47.0 6.1 29.3 5.6 83 93 A E H < S+ 0 0 118 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.813 117.9 37.3 -57.3 -34.4 4.8 28.4 9.0 84 94 A Q H < S+ 0 0 137 -4,-1.2 2,-0.4 -5,-0.1 -1,-0.2 0.810 96.9 86.6 -92.1 -33.1 2.6 31.5 9.2 85 95 A T S < S- 0 0 26 -4,-2.2 2,-0.7 -5,-0.1 -79,-0.1 -0.588 72.6-127.9 -88.8 128.6 1.3 32.1 5.7 86 96 A E + 0 0 145 -2,-0.4 2,-0.3 -54,-0.1 -1,-0.1 -0.579 48.1 156.6 -68.7 109.5 -1.9 30.4 4.3 87 97 A A - 0 0 20 -2,-0.7 -82,-0.2 -5,-0.1 3,-0.1 -0.924 47.3-158.5-138.6 158.3 -0.8 28.8 1.0 88 98 A D S S+ 0 0 50 -84,-2.1 24,-2.3 1,-0.3 2,-0.4 0.681 90.9 27.3 -99.8 -32.8 -1.7 26.1 -1.5 89 99 A V E -be 5 112A 0 -85,-2.1 -83,-2.6 22,-0.2 2,-0.6 -0.996 62.2-160.4-135.5 129.4 1.7 25.8 -3.0 90 100 A V E -be 6 113A 2 22,-3.1 24,-1.8 -2,-0.4 2,-0.9 -0.940 10.3-159.0-107.7 111.8 5.2 26.5 -1.6 91 101 A L E -be 7 114A 0 -85,-3.5 -83,-3.6 -2,-0.6 2,-1.0 -0.814 7.4-166.1 -88.4 107.0 7.8 27.1 -4.3 92 102 A N E +be 8 115A 0 22,-1.9 24,-2.4 -2,-0.9 25,-0.6 -0.805 27.8 151.2 -98.7 95.9 11.2 26.5 -2.6 93 103 A A + 0 0 15 -85,-2.4 -78,-0.2 -2,-1.0 -79,-0.2 0.024 28.4 136.0-109.2 22.4 13.9 27.8 -4.9 94 104 A L - 0 0 19 5,-0.1 2,-0.4 4,-0.1 5,-0.1 -0.317 54.2-118.8 -62.5 155.3 16.3 28.6 -2.0 95 105 A V > - 0 0 111 22,-0.1 3,-1.0 23,-0.1 22,-0.1 -0.823 57.8 -30.5-105.9 137.8 19.9 27.5 -2.6 96 106 A G G > S- 0 0 7 -2,-0.4 3,-1.9 1,-0.2 4,-0.2 -0.180 120.4 -9.3 66.1-148.0 21.9 25.0 -0.5 97 107 A A G >> S+ 0 0 61 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.697 120.5 77.7 -59.9 -23.4 21.4 24.4 3.2 98 108 A L G <4 S+ 0 0 105 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.710 90.6 57.6 -57.6 -21.4 19.0 27.4 3.4 99 109 A G G <> S+ 0 0 0 -3,-1.9 4,-1.8 1,-0.1 -1,-0.2 0.630 85.5 75.4 -89.8 -16.5 16.3 25.2 1.8 100 110 A L H <> S+ 0 0 10 -3,-1.1 4,-1.9 -4,-0.2 -1,-0.1 0.952 97.2 41.1 -67.8 -56.9 16.0 22.3 4.2 101 111 A R H X S+ 0 0 120 -4,-0.5 4,-2.9 2,-0.2 5,-0.2 0.937 115.3 52.0 -57.7 -47.9 14.1 23.7 7.2 102 112 A P H > S+ 0 0 3 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.888 107.8 53.3 -56.7 -39.2 11.7 25.7 4.9 103 113 A T H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.904 110.7 46.9 -57.0 -43.7 11.1 22.4 3.0 104 114 A L H X S+ 0 0 33 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.925 112.6 48.2 -68.6 -44.2 10.1 20.8 6.4 105 115 A A H X S+ 0 0 7 -4,-2.9 4,-1.3 2,-0.2 -2,-0.2 0.922 112.1 50.7 -56.5 -46.4 7.9 23.7 7.4 106 116 A A H >X>S+ 0 0 0 -4,-2.6 5,-0.7 -5,-0.2 4,-0.6 0.926 110.5 47.6 -60.9 -48.6 6.2 23.6 4.0 107 117 A L H ><5S+ 0 0 6 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.872 106.5 58.9 -60.1 -38.9 5.5 19.9 4.1 108 118 A K H 3<5S+ 0 0 186 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.825 100.2 57.5 -60.3 -34.1 4.1 20.2 7.7 109 119 A T H <<5S- 0 0 70 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.705 108.7-122.9 -68.8 -22.1 1.5 22.7 6.4 110 120 A G T <<5 + 0 0 36 -3,-1.1 -3,-0.1 -4,-0.6 -2,-0.1 0.286 66.1 137.3 91.1 -10.3 0.1 20.2 4.0 111 121 A A < - 0 0 7 -5,-0.7 -1,-0.3 1,-0.1 -22,-0.2 -0.329 66.2 -94.8 -63.7 149.4 0.7 22.6 1.0 112 122 A R E -e 89 0A 42 -24,-2.3 -22,-3.1 -3,-0.1 2,-0.8 -0.439 36.6-139.7 -60.5 134.1 2.1 21.2 -2.2 113 123 A L E -ef 90 137A 0 23,-3.1 25,-3.1 -24,-0.2 2,-1.1 -0.908 10.0-162.1-103.2 107.0 5.8 21.7 -2.3 114 124 A A E -ef 91 138A 0 -24,-1.8 -22,-1.9 -2,-0.8 2,-0.6 -0.804 26.2-152.6 -83.0 101.0 7.1 22.8 -5.7 115 125 A L E +ef 92 139A 8 23,-1.7 25,-2.1 -2,-1.1 26,-0.6 -0.721 43.3 149.3 -98.3 114.7 10.6 21.8 -5.0 116 126 A A + 0 0 34 -24,-2.4 2,-0.8 -2,-0.6 -23,-0.2 0.280 53.7 95.8-117.3 3.4 13.6 23.5 -6.8 117 127 A N >> - 0 0 0 -25,-0.6 3,-0.6 1,-0.2 4,-0.6 -0.847 54.2-169.5 -98.5 104.2 16.0 23.1 -3.8 118 128 A K H >> S+ 0 0 30 -2,-0.8 4,-2.4 1,-0.2 3,-0.7 0.860 80.1 65.6 -61.4 -37.1 18.1 19.9 -4.6 119 129 A E H 3>>S+ 0 0 26 1,-0.2 4,-2.7 2,-0.2 5,-1.3 0.839 89.2 67.4 -57.0 -39.3 19.6 19.9 -1.1 120 130 A S H <>5S+ 0 0 0 -3,-0.6 4,-0.7 3,-0.2 -1,-0.2 0.898 115.1 24.5 -45.0 -53.1 16.2 19.2 0.6 121 131 A L H XX + 0 0 4 -4,-1.7 4,-1.9 1,-0.3 3,-1.0 -0.105 67.6 0.0 51.2-131.5 16.7 12.0 2.5 126 136 A S H 3> S+ 0 0 23 178,-0.3 4,-3.4 1,-0.3 -1,-0.3 0.738 126.5 67.6 -64.4 -27.3 14.1 9.9 4.5 127 137 A L H <> S+ 0 0 23 -3,-1.5 4,-0.6 2,-0.2 -1,-0.3 0.886 108.2 38.3 -58.0 -41.0 13.7 12.8 7.0 128 138 A V H < S+ 0 0 67 -4,-1.9 3,-1.1 1,-0.2 -2,-0.2 0.902 105.8 52.8 -64.5 -41.0 10.3 11.7 2.8 130 140 A R H 3< S+ 0 0 142 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.781 108.1 53.2 -63.8 -26.1 8.8 10.9 6.3 131 141 A A H 3< S+ 0 0 41 -4,-0.6 2,-0.3 -3,-0.3 -1,-0.2 0.603 101.5 76.4 -82.6 -13.3 7.4 14.5 6.4 132 142 A A << - 0 0 28 -3,-1.1 3,-0.1 -4,-0.6 -24,-0.0 -0.714 66.9-144.0-104.6 149.2 5.7 14.2 3.0 133 143 A R > - 0 0 124 -2,-0.3 3,-2.1 1,-0.1 4,-0.4 -0.699 51.2 -67.8 -98.1 160.1 2.5 12.5 1.9 134 144 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.209 120.4 3.9 -48.3 128.0 2.1 10.8 -1.6 135 145 A G T 3 S+ 0 0 60 78,-0.2 78,-0.0 2,-0.1 -3,-0.0 0.361 95.7 112.6 80.5 -4.4 2.2 13.4 -4.4 136 146 A Q < + 0 0 5 -3,-2.1 -23,-3.1 -24,-0.1 2,-0.7 0.835 64.8 67.6 -73.0 -33.8 2.9 16.4 -2.1 137 147 A I E -f 113 0A 24 -4,-0.4 -23,-0.2 -25,-0.2 -2,-0.1 -0.801 67.1-175.4 -88.8 116.0 6.4 17.0 -3.5 138 148 A V E -f 114 0A 9 -25,-3.1 -23,-1.7 -2,-0.7 7,-0.1 -0.961 22.8-127.6-117.3 118.0 6.2 18.1 -7.1 139 149 A P E -f 115 0A 16 0, 0.0 -23,-0.2 0, 0.0 -25,-0.1 -0.306 19.3-170.5 -71.1 142.2 9.6 18.6 -8.8 140 150 A V + 0 0 1 -25,-2.1 -24,-0.2 118,-0.1 118,-0.1 0.663 54.1 107.9-100.3 -23.6 10.6 21.8 -10.6 141 151 A D S > S- 0 0 32 -26,-0.6 4,-2.5 1,-0.1 5,-0.2 -0.254 77.4-123.3 -58.9 140.2 13.7 20.5 -12.3 142 152 A S H > S+ 0 0 20 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.877 108.5 50.6 -52.0 -43.1 13.4 20.0 -16.1 143 153 A E H > S+ 0 0 21 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.917 113.1 43.2 -65.3 -45.2 14.4 16.3 -15.9 144 154 A H H > S+ 0 0 1 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.830 112.4 53.8 -73.7 -30.8 12.0 15.3 -13.1 145 155 A S H X S+ 0 0 7 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.947 110.5 47.5 -61.8 -49.1 9.2 17.3 -14.7 146 156 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.922 111.3 51.0 -55.8 -48.0 9.8 15.4 -18.0 147 157 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.931 108.5 50.7 -58.4 -46.7 9.8 12.1 -16.1 148 158 A A H < S+ 0 0 17 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.872 112.9 47.6 -60.1 -38.6 6.5 12.9 -14.3 149 159 A Q H >< S+ 0 0 2 -4,-2.0 3,-1.1 1,-0.2 -1,-0.2 0.917 111.8 48.5 -65.8 -46.1 5.0 13.7 -17.7 150 160 A C H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.3 -2,-0.2 0.780 99.0 67.7 -68.6 -30.0 6.3 10.5 -19.4 151 161 A L G >< S+ 0 0 41 -4,-2.3 3,-1.5 1,-0.3 -1,-0.3 0.710 82.7 74.3 -61.8 -21.7 5.1 8.3 -16.5 152 162 A R G < S+ 0 0 59 -3,-1.1 -1,-0.3 -4,-0.5 -2,-0.2 0.674 77.8 82.6 -61.4 -13.4 1.5 9.2 -17.7 153 163 A G G < S- 0 0 2 -3,-2.0 2,-0.3 -4,-0.1 -1,-0.3 0.542 108.9 -23.8 -70.1 -8.3 2.5 6.7 -20.5 154 164 A G S < S- 0 0 20 -3,-1.5 489,-0.1 372,-0.1 5,-0.0 -0.954 81.1 -63.2-173.9-170.6 1.6 3.7 -18.4 155 165 A T > - 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