==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 31-AUG-09 3IUV . COMPND 2 MOLECULE: UNCHARACTERIZED TETR FAMILY PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR A3(2); . AUTHOR K.TAN,M.CUFF,X.XU,H.ZHENG,A.SAVCHENKO,A.EDWARDS, . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9566.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 80.3 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 . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 108 62.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 0 0 1 0 1 1 1 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 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 7 A P 0 0 124 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-104.0 11.1 29.5 17.2 2 8 A E > + 0 0 127 0, 0.0 4,-1.0 0, 0.0 5,-0.0 0.120 360.0 56.1-170.0 -22.7 12.8 28.0 20.3 3 9 A R H > S+ 0 0 78 2,-0.1 4,-1.5 3,-0.1 39,-0.0 0.944 116.6 37.8 -69.2 -56.3 16.1 29.8 20.3 4 10 A R H > S+ 0 0 92 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.733 114.1 56.2 -73.0 -23.3 14.3 33.1 20.4 5 11 A Q H > S+ 0 0 49 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.937 103.4 52.8 -69.5 -49.2 11.6 31.9 22.7 6 12 A R H X S+ 0 0 95 -4,-1.0 4,-2.0 1,-0.2 -2,-0.2 0.902 111.4 50.4 -51.5 -41.8 14.1 30.8 25.3 7 13 A I H X S+ 0 0 0 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.970 111.4 44.0 -61.6 -57.6 15.4 34.3 25.0 8 14 A I H X S+ 0 0 2 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.892 113.5 52.1 -54.7 -44.3 12.1 36.2 25.4 9 15 A D H X S+ 0 0 50 -4,-3.3 4,-2.5 1,-0.2 -1,-0.2 0.904 109.9 49.2 -61.1 -41.8 11.1 33.9 28.3 10 16 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.3 -2,-0.2 0.912 108.7 51.4 -63.4 -44.0 14.3 34.7 30.0 11 17 A A H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.948 109.3 54.3 -55.4 -47.2 13.8 38.4 29.4 12 18 A I H X S+ 0 0 57 -4,-3.0 4,-1.5 1,-0.2 3,-0.4 0.937 111.2 42.1 -49.8 -53.9 10.4 37.7 31.0 13 19 A R H X S+ 0 0 109 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.897 107.9 60.2 -67.1 -39.6 11.9 36.1 34.1 14 20 A V H < S+ 0 0 8 -4,-3.1 4,-0.3 1,-0.2 -1,-0.2 0.867 109.6 44.1 -52.8 -36.7 14.7 38.7 34.5 15 21 A V H X S+ 0 0 29 -4,-1.6 4,-4.7 -3,-0.4 3,-0.4 0.907 106.4 49.6 -86.5 -47.2 12.1 41.5 34.9 16 22 A G H < S+ 0 0 47 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.1 0.692 124.9 40.1 -62.9 -12.1 9.3 40.4 37.2 17 23 A Q T < S+ 0 0 139 -4,-0.8 -2,-0.3 -5,-0.3 -1,-0.2 0.493 138.9 10.5-113.8 -13.6 12.3 39.5 39.3 18 24 A K T 4 S- 0 0 142 -3,-0.4 4,-0.4 -4,-0.3 3,-0.3 0.303 98.5-139.0-149.9 3.9 14.6 42.5 38.6 19 25 A G >< - 0 0 16 -4,-4.7 3,-1.7 1,-0.2 4,-0.3 0.126 47.9 -39.1 71.5-178.2 12.3 45.0 36.8 20 26 A I G > S+ 0 0 94 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.795 137.9 50.4 -48.1 -33.0 12.7 47.3 33.8 21 27 A A G 3 S+ 0 0 99 -3,-0.3 -1,-0.3 1,-0.2 -2,-0.2 0.521 100.5 60.4 -93.2 -8.0 16.2 48.1 35.1 22 28 A G G < S+ 0 0 19 -3,-1.7 2,-0.6 -4,-0.4 -1,-0.2 0.332 87.5 86.4-101.4 7.3 17.6 44.6 35.5 23 29 A L < + 0 0 8 -3,-0.5 2,-0.3 -4,-0.3 27,-0.1 -0.921 44.4 138.2-122.2 114.5 17.2 43.4 31.9 24 30 A S >> - 0 0 42 -2,-0.6 4,-3.2 1,-0.1 3,-1.2 -0.964 65.7 -92.4-144.7 158.3 19.8 43.9 29.2 25 31 A H H 3> S+ 0 0 32 -2,-0.3 4,-2.2 1,-0.3 5,-0.1 0.825 127.8 48.2 -34.9 -47.2 21.2 41.8 26.4 26 32 A R H 3> S+ 0 0 189 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.866 115.0 43.2 -70.1 -35.0 23.9 40.7 28.7 27 33 A T H <> S+ 0 0 59 -3,-1.2 4,-2.6 2,-0.2 -2,-0.2 0.833 115.3 48.4 -82.9 -35.6 21.6 39.8 31.6 28 34 A V H X S+ 0 0 0 -4,-3.2 4,-2.0 2,-0.2 -2,-0.2 0.853 110.5 53.3 -65.2 -38.3 19.1 38.1 29.3 29 35 A A H X>S+ 0 0 8 -4,-2.2 5,-1.6 -5,-0.5 4,-1.0 0.970 110.8 46.7 -61.8 -51.4 22.0 36.2 27.8 30 36 A A H ><5S+ 0 0 71 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.970 113.4 47.2 -49.5 -60.6 23.1 35.1 31.2 31 37 A E H 3<5S+ 0 0 101 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.815 115.8 45.7 -56.5 -31.5 19.6 34.1 32.3 32 38 A A H 3<5S- 0 0 10 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.558 101.8-130.8 -88.1 -8.5 19.0 32.2 29.0 33 39 A D T <<5 + 0 0 142 -3,-1.8 -3,-0.2 -4,-1.0 -2,-0.1 0.990 68.4 127.8 47.5 63.4 22.4 30.5 29.0 34 40 A V < - 0 0 13 -5,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 -0.983 68.3 -92.0-148.8 141.7 22.7 31.7 25.5 35 41 A P >> - 0 0 83 0, 0.0 4,-2.1 0, 0.0 3,-0.6 -0.288 28.1-124.5 -59.2 146.2 25.4 33.7 23.7 36 42 A L H 3> S+ 0 0 67 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.913 114.5 60.8 -50.3 -42.8 25.1 37.4 23.7 37 43 A G H 3> S+ 0 0 44 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.826 103.3 47.7 -56.6 -39.7 25.4 37.1 20.0 38 44 A S H <> S+ 0 0 20 -3,-0.6 4,-2.2 2,-0.2 5,-0.3 0.935 110.2 54.4 -59.1 -53.9 22.2 35.0 19.9 39 45 A T H X S+ 0 0 2 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.897 115.0 37.4 -46.8 -48.6 20.6 37.5 22.0 40 46 A T H < S+ 0 0 63 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.815 107.4 64.5 -83.6 -26.0 21.5 40.3 19.6 41 47 A Y H < S+ 0 0 194 -4,-2.1 -1,-0.2 -5,-0.3 -2,-0.2 0.894 115.0 34.2 -61.8 -35.5 20.9 38.2 16.5 42 48 A H H < S+ 0 0 54 -4,-2.2 2,-0.4 1,-0.3 -1,-0.2 0.752 130.9 29.4 -91.4 -24.7 17.3 38.1 17.6 43 49 A F < + 0 0 7 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.1 -0.829 53.5 174.4-144.3 104.4 17.0 41.5 19.2 44 50 A A S S+ 0 0 79 -2,-0.4 -1,-0.2 -3,-0.2 -19,-0.1 0.994 73.3 45.5 -66.0 -68.1 19.0 44.6 18.1 45 51 A T S > S- 0 0 60 1,-0.1 4,-1.0 -5,-0.0 5,-0.0 -0.402 83.2-126.1 -74.4 157.0 17.5 47.3 20.3 46 52 A L H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.725 113.0 64.8 -68.6 -21.7 16.8 46.6 23.9 47 53 A D H > S+ 0 0 95 2,-0.2 4,-4.1 1,-0.2 5,-0.2 0.943 92.2 55.9 -65.5 -50.5 13.4 47.7 22.9 48 54 A D H > S+ 0 0 62 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.862 108.7 50.5 -53.5 -38.1 12.7 44.8 20.6 49 55 A L H X S+ 0 0 2 -4,-1.0 4,-3.8 2,-0.2 -1,-0.2 0.987 116.5 38.2 -63.6 -56.6 13.5 42.6 23.5 50 56 A X H X S+ 0 0 54 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.806 117.4 54.2 -61.0 -28.3 11.0 44.4 25.8 51 57 A V H X S+ 0 0 40 -4,-4.1 4,-2.3 2,-0.2 -2,-0.2 0.929 115.1 36.7 -73.7 -45.6 8.7 44.8 22.8 52 58 A A H X S+ 0 0 16 -4,-3.2 4,-2.0 -5,-0.2 5,-0.2 0.954 112.5 62.0 -65.5 -48.9 8.6 41.1 22.1 53 59 A A H X S+ 0 0 15 -4,-3.8 4,-0.9 -5,-0.3 -2,-0.2 0.855 114.1 33.1 -44.8 -46.1 8.7 40.4 25.8 54 60 A L H >X S+ 0 0 9 -4,-1.9 4,-2.1 2,-0.2 3,-0.9 0.958 107.3 63.1 -79.0 -54.8 5.4 42.2 26.3 55 61 A R H 3X S+ 0 0 93 -4,-2.3 4,-1.6 1,-0.3 -2,-0.2 0.795 103.6 56.4 -42.6 -29.3 3.6 41.4 23.0 56 62 A Q H 3X S+ 0 0 50 -4,-2.0 4,-2.1 2,-0.2 -1,-0.3 0.939 105.6 47.8 -66.6 -50.0 3.9 37.8 24.3 57 63 A A H XX S+ 0 0 10 -4,-0.9 4,-1.8 -3,-0.9 3,-1.2 0.988 111.5 51.6 -47.6 -63.5 2.1 38.9 27.5 58 64 A N H 3X S+ 0 0 13 -4,-2.1 4,-1.5 1,-0.3 -1,-0.2 0.791 110.2 48.9 -40.9 -38.8 -0.5 40.6 25.3 59 65 A E H 3< S+ 0 0 108 -4,-1.6 4,-0.4 -5,-0.4 -1,-0.3 0.788 105.4 58.5 -78.1 -25.6 -0.8 37.3 23.3 60 66 A G H XX S+ 0 0 16 -4,-2.1 3,-0.6 -3,-1.2 4,-0.6 0.923 109.1 42.9 -65.6 -47.3 -1.2 35.3 26.5 61 67 A F H >X S+ 0 0 5 -4,-1.8 4,-2.4 1,-0.2 3,-1.2 0.889 108.6 58.1 -64.5 -43.2 -4.3 37.2 27.6 62 68 A A H 3X S+ 0 0 51 -4,-1.5 4,-2.0 1,-0.3 -1,-0.2 0.631 103.7 56.1 -63.2 -12.6 -5.8 37.2 24.1 63 69 A R H <4 S+ 0 0 168 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.648 104.8 49.4 -93.8 -20.4 -5.6 33.5 24.4 64 70 A V H << S+ 0 0 21 -3,-1.2 -2,-0.2 -4,-0.6 -3,-0.1 0.848 115.6 45.5 -73.8 -41.9 -7.7 33.6 27.6 65 71 A V H >< S+ 0 0 24 -4,-2.4 3,-2.9 1,-0.2 6,-0.2 0.956 109.6 51.7 -64.5 -55.2 -10.1 35.8 25.7 66 72 A A T 3< S+ 0 0 74 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.686 102.3 64.6 -57.2 -17.0 -10.1 33.6 22.6 67 73 A A T 3 S+ 0 0 60 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.2 0.444 98.4 56.4 -87.7 -0.5 -10.9 30.8 25.1 68 74 A H X + 0 0 21 -3,-2.9 3,-1.4 1,-0.1 -1,-0.2 -0.700 59.1 164.6-126.7 83.6 -14.2 32.4 25.9 69 75 A P G > + 0 0 93 0, 0.0 3,-2.0 0, 0.0 4,-0.4 0.804 67.0 80.1 -64.1 -33.1 -15.9 32.7 22.5 70 76 A A G > S+ 0 0 26 1,-0.3 3,-1.4 2,-0.2 6,-0.3 0.701 72.8 76.7 -45.1 -28.7 -19.1 33.4 24.4 71 77 A L G < S+ 0 0 6 -3,-1.4 -1,-0.3 1,-0.3 11,-0.1 0.849 98.3 44.4 -55.4 -35.3 -18.0 37.1 24.9 72 78 A S G < S+ 0 0 72 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.2 0.514 94.9 97.5 -88.7 -5.9 -19.0 37.8 21.4 73 79 A D X - 0 0 68 -3,-1.4 3,-1.0 -4,-0.4 58,-0.0 -0.778 61.4-159.1 -88.2 115.1 -22.2 35.8 21.9 74 80 A P T 3 S+ 0 0 92 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.699 92.3 58.2 -65.7 -24.0 -25.2 38.2 22.7 75 81 A E T 3 S+ 0 0 179 2,-0.1 2,-0.2 3,-0.0 -5,-0.0 0.706 94.7 87.6 -76.9 -18.5 -27.2 35.3 24.2 76 82 A A S < S- 0 0 21 -3,-1.0 2,-1.0 -6,-0.3 0, 0.0 -0.477 94.8 -99.0 -85.3 152.3 -24.3 34.8 26.7 77 83 A D > - 0 0 87 1,-0.2 4,-2.7 -2,-0.2 5,-0.2 -0.567 33.9-165.7 -72.7 102.7 -23.9 36.6 30.0 78 84 A L H > S+ 0 0 6 -2,-1.0 4,-2.5 1,-0.2 5,-0.2 0.922 85.8 45.7 -56.4 -55.5 -21.5 39.4 29.2 79 85 A S H > S+ 0 0 5 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.934 114.2 50.2 -50.2 -54.1 -20.6 40.3 32.9 80 86 A G H > S+ 0 0 17 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.902 110.8 48.3 -52.9 -48.2 -20.3 36.6 33.8 81 87 A E H X S+ 0 0 44 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.886 112.0 48.5 -64.6 -43.0 -17.9 35.9 30.9 82 88 A L H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.904 107.2 55.0 -63.5 -42.3 -15.7 38.9 31.6 83 89 A A H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.800 109.8 49.1 -63.6 -26.3 -15.4 38.0 35.3 84 90 A R H X S+ 0 0 20 -4,-1.2 4,-1.8 2,-0.2 -1,-0.2 0.783 107.7 51.9 -84.6 -30.0 -14.2 34.6 34.2 85 91 A V H X S+ 0 0 1 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.960 114.5 44.4 -64.0 -50.6 -11.6 35.9 31.8 86 92 A L H X S+ 0 0 0 -4,-2.7 4,-1.1 1,-0.2 5,-0.3 0.883 109.2 56.9 -56.5 -42.3 -10.3 38.1 34.6 87 93 A G H X S+ 0 0 16 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.896 114.5 38.8 -57.6 -40.4 -10.6 35.1 37.0 88 94 A E H < S+ 0 0 91 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.971 109.7 56.9 -73.7 -56.6 -8.3 33.1 34.7 89 95 A W H < S+ 0 0 29 -4,-3.0 8,-0.2 1,-0.2 -1,-0.2 0.691 119.9 35.3 -46.6 -22.5 -5.9 35.9 33.7 90 96 A L H X S+ 0 0 16 -4,-1.1 4,-1.1 -5,-0.2 -1,-0.2 0.836 91.7 95.1-103.5 -47.7 -5.3 36.3 37.4 91 97 A G T < S+ 0 0 61 -4,-2.4 2,-0.4 -5,-0.3 -4,-0.0 -0.189 82.2 38.9 -44.3 133.5 -5.4 32.8 38.8 92 98 A G T 4 S- 0 0 75 1,-0.1 -2,-0.0 2,-0.0 -3,-0.0 -0.957 127.3 -41.2 117.2-144.5 -1.8 31.5 39.0 93 99 A D T 4 - 0 0 130 -2,-0.4 2,-0.8 0, 0.0 -2,-0.1 -0.210 68.4-118.7-119.3 44.9 1.0 33.9 40.0 94 100 A R >X + 0 0 18 -4,-1.1 4,-2.2 1,-0.2 3,-2.1 0.338 65.5 143.7 54.5 -7.1 -0.0 37.1 38.1 95 101 A T H 3> + 0 0 94 -2,-0.8 4,-1.9 1,-0.3 -1,-0.2 0.712 68.4 42.0 -42.0 -46.6 3.2 36.9 36.2 96 102 A G H 3> S+ 0 0 21 2,-0.2 4,-1.5 1,-0.2 -1,-0.3 0.768 115.6 51.1 -73.6 -27.3 1.9 38.2 32.8 97 103 A V H <> S+ 0 0 0 -3,-2.1 4,-1.2 2,-0.2 5,-0.3 0.804 105.2 55.3 -76.7 -34.5 -0.2 40.8 34.5 98 104 A E H >X S+ 0 0 69 -4,-2.2 4,-2.8 1,-0.2 3,-0.7 0.969 110.7 48.9 -55.9 -50.2 2.9 42.0 36.5 99 105 A L H 3X S+ 0 0 23 -4,-1.9 4,-4.0 -5,-0.2 -2,-0.2 0.871 104.8 57.0 -51.7 -47.6 4.4 42.3 33.0 100 106 A E H 3X S+ 0 0 10 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.739 116.2 33.8 -68.6 -24.4 1.5 44.3 31.5 101 107 A Y H + 0 0 34 -6,-0.3 4,-0.7 -5,-0.2 5,-0.3 0.031 54.1 122.4 -84.3 25.7 6.9 52.8 23.3 113 119 A L H > + 0 0 84 -3,-0.5 4,-2.4 -6,-0.3 -1,-0.2 0.933 60.1 60.3 -48.3 -52.9 3.4 53.6 24.7 114 120 A R H 4>S+ 0 0 169 -3,-0.5 5,-1.4 2,-0.2 -1,-0.2 0.801 94.3 50.6 -58.0 -53.5 1.5 51.8 22.0 115 121 A P H 45S+ 0 0 24 0, 0.0 5,-0.4 0, 0.0 4,-0.3 0.958 125.2 28.3 -56.7 -58.4 2.3 48.1 21.9 116 122 A V H X5S+ 0 0 20 -4,-0.7 4,-1.4 3,-0.1 -2,-0.2 0.998 125.7 53.4 -56.2 -64.1 1.8 47.5 25.6 117 123 A A H >X5S+ 0 0 41 -4,-2.4 3,-1.1 -5,-0.3 4,-0.5 0.837 122.8 10.3 -42.6-102.7 -0.7 50.2 25.8 118 124 A A H 3>5S+ 0 0 43 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.847 112.0 75.8 -51.4 -46.5 -3.4 49.9 23.3 119 125 A E H 3>< S+ 0 0 37 -4,-3.0 3,-1.2 -5,-0.3 -1,-0.2 0.982 110.9 45.4 -54.9 -58.6 -17.8 47.7 21.3 130 136 A A H 3< S+ 0 0 92 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.874 116.6 47.0 -50.6 -39.6 -19.3 45.4 18.6 131 137 A R H 3< S- 0 0 57 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.562 135.4 -4.2 -85.9 -9.2 -21.1 43.5 21.4 132 138 A T S << S- 0 0 47 -4,-1.4 -3,-0.1 -3,-1.2 3,-0.1 -0.064 103.8 -61.6-138.9-111.9 -22.4 46.6 23.2 133 139 A D > - 0 0 55 -5,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.934 45.0-102.7-144.8 166.0 -21.7 50.2 22.4 134 140 A P H > S+ 0 0 89 0, 0.0 4,-2.3 0, 0.0 5,-0.3 0.915 117.2 51.7 -60.2 -45.7 -18.5 52.3 22.4 135 141 A T H > S+ 0 0 92 1,-0.2 4,-2.5 2,-0.2 3,-0.5 0.968 111.5 45.3 -56.7 -61.2 -19.2 54.0 25.7 136 142 A T H > S+ 0 0 6 1,-0.2 4,-3.8 2,-0.2 -1,-0.2 0.844 110.5 55.9 -44.3 -46.5 -19.8 50.8 27.6 137 143 A A H X S+ 0 0 3 -4,-2.2 4,-2.9 2,-0.2 -1,-0.2 0.907 107.3 46.9 -60.3 -45.4 -16.8 49.2 26.0 138 144 A R H X S+ 0 0 183 -4,-2.3 4,-2.7 -3,-0.5 -1,-0.2 0.918 115.9 47.8 -62.2 -41.6 -14.4 51.9 27.2 139 145 A A H X S+ 0 0 35 -4,-2.5 4,-2.0 -5,-0.3 -2,-0.2 0.947 111.2 48.9 -62.6 -48.3 -16.0 51.6 30.6 140 146 A L H >X S+ 0 0 0 -4,-3.8 4,-2.2 1,-0.2 3,-0.5 0.982 114.0 47.1 -56.8 -53.9 -15.7 47.9 30.6 141 147 A V H 3X S+ 0 0 22 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.902 108.7 53.7 -52.3 -48.7 -12.1 48.1 29.6 142 148 A A H 3X S+ 0 0 67 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.873 110.7 47.6 -58.4 -35.6 -11.2 50.8 32.2 143 149 A V H X S+ 0 0 58 -4,-3.7 3,-2.5 -5,-0.2 4,-2.5 0.963 108.2 48.7 -48.6 -68.1 -4.7 46.8 39.4 150 156 A Q H 3X S+ 0 0 105 -4,-2.6 4,-2.6 1,-0.3 6,-0.5 0.810 104.8 59.7 -36.0 -48.0 -6.3 46.6 42.8 151 157 A V H 3< S+ 0 0 19 -4,-2.0 -1,-0.3 -5,-0.3 -2,-0.2 0.780 116.3 32.6 -62.0 -24.3 -5.8 42.9 43.0 152 158 A L H << S+ 0 0 44 -3,-2.5 -2,-0.2 -4,-1.2 -1,-0.2 0.858 119.4 48.1 -98.3 -43.8 -2.0 43.3 42.6 153 159 A L H < S+ 0 0 128 -4,-2.5 -3,-0.2 1,-0.2 -2,-0.2 0.864 124.3 34.3 -65.8 -37.1 -1.4 46.7 44.4 154 160 A T S < S- 0 0 73 -4,-2.6 -1,-0.2 -5,-0.3 -3,-0.2 0.484 100.2-140.7 -92.0 -7.0 -3.5 45.5 47.4 155 161 A D + 0 0 137 -5,-0.3 -3,-0.2 1,-0.2 -4,-0.1 0.617 52.8 143.1 53.0 17.4 -2.2 41.9 46.9 156 162 A T - 0 0 66 -6,-0.5 2,-0.3 1,-0.1 -1,-0.2 -0.224 57.8 -97.4 -73.3 165.0 -5.8 40.7 47.7 157 163 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.709 47.0 -95.3 -84.5 148.3 -7.4 37.7 46.0 158 164 A Y - 0 0 42 -2,-0.3 2,-0.8 -71,-0.1 -10,-0.0 -0.337 28.9-147.0 -60.5 130.8 -9.7 38.3 43.1 159 165 A D > - 0 0 81 1,-0.2 4,-2.0 -2,-0.1 5,-0.1 -0.898 15.1-175.6-104.7 107.2 -13.4 38.5 44.0 160 166 A E H > S+ 0 0 93 -2,-0.8 4,-2.4 2,-0.2 -1,-0.2 0.836 83.4 52.8 -77.6 -33.7 -15.2 37.1 41.0 161 167 A E H > S+ 0 0 163 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.903 111.0 52.4 -62.7 -40.3 -18.7 37.7 42.4 162 168 A Y H > S+ 0 0 130 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.922 109.0 44.9 -61.2 -51.7 -17.5 41.2 42.9 163 169 A A H X S+ 0 0 0 -4,-2.0 4,-3.3 2,-0.2 5,-0.3 0.954 111.7 54.9 -63.7 -43.7 -16.2 41.8 39.4 164 170 A R H X S+ 0 0 99 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.931 110.0 46.1 -52.2 -53.6 -19.4 40.3 38.0 165 171 A E H X S+ 0 0 90 -4,-2.6 4,-1.2 2,-0.2 -1,-0.2 0.913 114.9 46.7 -52.1 -47.4 -21.5 42.7 40.0 166 172 A V H >X S+ 0 0 30 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.947 112.6 48.6 -66.3 -50.9 -19.4 45.7 39.0 167 173 A L H >X S+ 0 0 0 -4,-3.3 3,-1.5 1,-0.2 4,-0.8 0.906 105.1 59.2 -54.1 -47.0 -19.3 44.9 35.4 168 174 A T H >< S+ 0 0 50 -4,-2.5 3,-0.6 -5,-0.3 -1,-0.2 0.831 99.9 58.5 -53.8 -35.0 -23.1 44.3 35.3 169 175 A R H << S+ 0 0 189 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.739 103.1 51.1 -69.0 -24.3 -23.6 47.9 36.4 170 176 A L H << S+ 0 0 60 -3,-1.5 -1,-0.2 -4,-0.7 -2,-0.2 0.596 94.5 87.7 -87.1 -12.6 -21.7 49.3 33.4 171 177 A I S << S- 0 0 46 -4,-0.8 -39,-0.0 -3,-0.6 2,-0.0 -0.818 72.7-149.6 -96.9 123.4 -23.9 47.2 31.2 172 178 A P 0 0 74 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.024 360.0 360.0 -86.8-178.2 -27.2 49.0 30.1 173 179 A V 0 0 199 -2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.956 360.0 360.0 53.1 360.0 -30.8 48.2 29.2