==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-13 4JXN . COMPND 2 MOLECULE: OCTAPRENYL-DIPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROSEOBACTER DENITRIFICANS; . AUTHOR Y.PATSKOVSKY,R.TORO,R.BHOSLE,B.HILLERICH,R.D.SEIDEL,E.WASHIN . 297 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13689.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 239 80.5 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 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 64.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 3.0 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 0 0 2 0 0 1 2 1 0 1 1 0 0 0 2 1 0 0 0 1 1 1 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 A > 0 0 64 0, 0.0 4,-1.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 0.2 -24.0 -30.5 6.1 2 8 A Q H >> + 0 0 157 2,-0.2 4,-2.6 3,-0.1 3,-0.6 0.985 360.0 41.2 -72.5 -61.3 -26.5 -29.8 9.0 3 9 A K H 3> S+ 0 0 60 1,-0.3 4,-1.4 2,-0.2 -1,-0.1 0.879 115.7 53.0 -57.1 -42.7 -28.5 -33.0 9.2 4 10 A P H 3> S+ 0 0 35 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.805 111.4 46.5 -58.0 -33.5 -25.2 -35.0 8.8 5 11 A H H S+ 0 0 75 -3,-0.4 4,-2.5 -4,-0.3 -1,-0.2 0.907 114.0 49.5 -75.5 -44.4 -25.8 -39.7 26.0 15 21 A D H > S+ 0 0 26 -4,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.894 110.2 52.7 -62.2 -39.8 -22.0 -40.0 26.3 16 22 A M H X S+ 0 0 33 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.864 109.7 49.2 -62.5 -37.6 -21.7 -36.2 26.0 17 23 A A H X S+ 0 0 49 -4,-1.5 4,-1.3 -5,-0.3 -2,-0.2 0.959 111.9 47.9 -60.3 -51.1 -24.2 -35.8 28.8 18 24 A A H X S+ 0 0 43 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.682 113.0 49.1 -70.9 -23.2 -22.3 -38.3 31.0 19 25 A V H >X S+ 0 0 1 -4,-1.7 4,-2.1 2,-0.2 3,-1.5 0.937 107.7 51.8 -72.4 -57.2 -19.0 -36.6 30.2 20 26 A S H 3X S+ 0 0 66 -4,-2.4 4,-1.3 1,-0.3 -2,-0.2 0.691 106.1 58.5 -59.4 -20.1 -20.2 -33.0 31.0 21 27 A T H 3X S+ 0 0 82 -4,-1.3 4,-2.8 2,-0.2 -1,-0.3 0.848 107.2 45.7 -66.1 -41.7 -21.4 -34.5 34.2 22 28 A L H > S+ 0 0 23 -3,-0.3 3,-3.2 -6,-0.1 4,-1.4 0.897 82.5 64.4 -95.6 -58.4 -13.2 -22.6 41.7 36 42 A P H 3> S+ 0 0 56 0, 0.0 4,-1.8 0, 0.0 5,-0.4 0.654 95.1 63.0 -51.9 -23.4 -16.7 -23.6 40.5 37 43 A E H 34 S+ 0 0 143 -4,-0.3 4,-0.3 1,-0.2 -2,-0.1 0.745 112.6 37.1 -68.0 -24.4 -17.8 -20.0 39.8 38 44 A V H <> S+ 0 0 42 -3,-3.2 4,-0.8 2,-0.1 -1,-0.2 0.820 117.9 48.1 -94.1 -39.1 -15.0 -19.9 37.1 39 45 A T H >X S+ 0 0 6 -4,-1.4 4,-1.2 2,-0.2 3,-0.6 0.911 112.7 45.9 -72.7 -46.3 -15.2 -23.5 35.8 40 46 A A H >< S+ 0 0 68 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.914 109.4 58.3 -59.3 -43.7 -19.0 -23.6 35.2 41 47 A H H 34 S+ 0 0 143 -5,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.743 109.5 44.2 -55.2 -28.5 -18.6 -20.1 33.6 42 48 A L H << 0 0 47 -4,-0.8 -1,-0.2 -3,-0.6 -2,-0.2 0.610 360.0 360.0 -95.4 -15.9 -16.2 -21.7 31.1 43 49 A V << 0 0 87 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.1 0.062 360.0 360.0-120.8 360.0 -18.3 -24.8 30.4 44 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 45 55 A R > 0 0 125 0, 0.0 4,-1.4 0, 0.0 28,-0.1 0.000 360.0 360.0 360.0 151.9 -17.7 -29.8 21.8 46 56 A L H > + 0 0 27 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.798 360.0 63.2 -74.8 -29.5 -15.8 -31.6 19.0 47 57 A R H > S+ 0 0 32 2,-0.2 4,-1.0 1,-0.2 3,-0.4 0.966 110.3 37.3 -60.1 -55.4 -12.6 -32.5 20.9 48 58 A P H > S+ 0 0 1 0, 0.0 4,-1.7 0, 0.0 3,-0.3 0.837 113.1 61.2 -65.2 -30.8 -14.2 -34.8 23.5 49 59 A M H X S+ 0 0 21 -4,-1.4 4,-2.8 1,-0.2 5,-0.2 0.827 97.1 58.8 -58.6 -38.5 -16.6 -36.0 20.7 50 60 A L H X S+ 0 0 1 -4,-1.9 4,-2.2 -3,-0.4 -1,-0.2 0.886 105.3 49.3 -58.3 -39.7 -13.6 -37.3 18.8 51 61 A T H X S+ 0 0 0 -4,-1.0 4,-2.0 -3,-0.3 -2,-0.2 0.924 114.7 42.6 -68.8 -46.3 -12.7 -39.6 21.7 52 62 A L H X S+ 0 0 0 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.914 114.5 51.0 -66.8 -44.0 -16.2 -41.0 22.2 53 63 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.924 110.7 49.2 -58.8 -43.9 -16.7 -41.4 18.5 54 64 A A H X S+ 0 0 0 -4,-2.2 4,-1.2 -5,-0.2 -1,-0.2 0.871 110.7 50.2 -66.8 -37.1 -13.4 -43.2 18.1 55 65 A A H ><>S+ 0 0 0 -4,-2.0 5,-2.1 2,-0.2 3,-0.6 0.954 113.5 44.3 -65.2 -50.2 -14.2 -45.6 21.0 56 66 A H H ><5S+ 0 0 39 -4,-2.7 3,-2.4 1,-0.2 -2,-0.2 0.920 106.9 60.4 -62.2 -43.1 -17.6 -46.5 19.6 57 67 A L H 3<5S+ 0 0 18 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.836 109.0 44.4 -52.1 -34.2 -16.2 -46.9 16.1 58 68 A C T <<5S- 0 0 33 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.227 122.1-106.0 -98.0 12.2 -13.9 -49.6 17.5 59 69 A G T < 5 + 0 0 56 -3,-2.4 2,-0.4 1,-0.2 -3,-0.2 0.767 52.0 176.0 75.1 31.0 -16.7 -51.3 19.6 60 70 A Y < + 0 0 36 -5,-2.1 -1,-0.2 1,-0.2 108,-0.1 -0.547 13.2 178.2 -74.3 123.0 -15.7 -50.2 23.1 61 71 A D + 0 0 161 -2,-0.4 -1,-0.2 107,-0.1 107,-0.1 0.932 50.1 87.2 -80.7 -53.4 -18.2 -51.3 25.8 62 72 A G S S- 0 0 28 105,-0.1 3,-0.1 1,-0.1 106,-0.0 0.558 79.5-109.3 -52.4-169.2 -16.5 -50.0 28.9 63 73 A P S >> S+ 0 0 75 0, 0.0 3,-1.2 0, 0.0 4,-0.7 0.588 89.8 84.9-100.7 -13.8 -16.6 -46.7 30.9 64 74 A F H 3> S+ 0 0 65 1,-0.3 4,-3.0 2,-0.2 5,-0.2 0.694 72.6 73.6 -77.7 -20.8 -13.2 -45.1 30.4 65 75 A H H 3> S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.837 97.8 54.8 -53.8 -32.2 -13.9 -43.4 27.0 66 76 A I H <> S+ 0 0 23 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.915 107.7 47.2 -65.6 -46.7 -15.9 -41.0 29.2 67 77 A N H X S+ 0 0 17 -4,-0.7 4,-2.9 1,-0.2 -2,-0.2 0.960 114.2 48.0 -57.1 -50.4 -12.8 -40.4 31.4 68 78 A L H X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.2 -2,-0.2 0.842 110.2 49.4 -64.9 -37.5 -10.7 -39.8 28.3 69 79 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.877 111.7 50.3 -71.4 -35.3 -13.1 -37.4 26.6 70 80 A A H X S+ 0 0 0 -4,-2.1 4,-3.4 2,-0.2 -2,-0.2 0.957 109.1 51.4 -61.3 -51.8 -13.4 -35.4 29.9 71 81 A T H X S+ 0 0 0 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.908 106.4 56.2 -46.1 -48.2 -9.6 -35.3 30.1 72 82 A V H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.917 111.5 41.2 -56.1 -47.0 -9.6 -34.0 26.6 73 83 A E H X S+ 0 0 6 -4,-1.8 4,-3.1 2,-0.2 5,-0.3 0.938 112.2 54.8 -69.9 -44.0 -11.9 -31.1 27.4 74 84 A F H X S+ 0 0 3 -4,-3.4 4,-2.8 1,-0.2 5,-0.2 0.950 111.5 46.3 -49.9 -49.9 -10.1 -30.4 30.7 75 85 A I H X S+ 0 0 10 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.863 112.0 49.4 -62.0 -40.3 -6.9 -30.1 28.8 76 86 A H H X S+ 0 0 34 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.959 114.3 45.6 -65.2 -47.6 -8.4 -27.9 26.1 77 87 A T H X S+ 0 0 6 -4,-3.1 4,-2.5 2,-0.2 3,-0.4 0.935 110.5 51.6 -58.9 -51.8 -9.9 -25.5 28.7 78 88 A A H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.3 -1,-0.2 0.872 109.8 51.5 -55.1 -41.0 -6.8 -25.2 30.9 79 89 A T H X S+ 0 0 21 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.3 0.849 108.6 51.6 -62.9 -37.6 -4.8 -24.4 27.7 80 90 A L H >X S+ 0 0 69 -4,-1.6 4,-2.1 -3,-0.4 3,-1.0 0.982 107.9 50.6 -64.2 -58.0 -7.3 -21.6 26.9 81 91 A L H 3< S+ 0 0 7 -4,-2.5 4,-0.4 1,-0.3 3,-0.2 0.909 109.4 52.5 -39.9 -53.7 -7.1 -20.0 30.3 82 92 A H H >< S+ 0 0 51 -4,-2.0 3,-0.6 1,-0.2 -1,-0.3 0.794 108.0 49.8 -61.5 -30.8 -3.3 -20.0 30.0 83 93 A D H << S+ 0 0 80 -4,-1.3 -1,-0.2 -3,-1.0 -2,-0.2 0.841 94.8 71.3 -77.9 -32.4 -3.4 -18.2 26.7 84 94 A D T 3< 0 0 133 -4,-2.1 -1,-0.2 -3,-0.2 -2,-0.2 0.590 360.0 360.0 -59.7 -11.8 -5.8 -15.5 28.0 85 95 A V < 0 0 96 -3,-0.6 -2,-0.2 -4,-0.4 -1,-0.1 0.632 360.0 360.0-103.2 360.0 -2.6 -14.5 29.9 86 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 87 114 A N > 0 0 135 0, 0.0 4,-1.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0 -59.5 -4.7 -13.1 35.7 88 115 A K H > + 0 0 70 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.820 360.0 61.3 -75.3 -34.6 -3.4 -15.1 38.7 89 116 A S H > S+ 0 0 79 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.782 102.2 51.7 -63.8 -29.3 -6.8 -16.7 38.9 90 117 A S H > S+ 0 0 26 2,-0.2 4,-2.9 3,-0.2 3,-0.5 0.989 105.5 50.6 -70.3 -63.0 -6.4 -18.2 35.4 91 118 A V H X S+ 0 0 55 -4,-1.1 4,-2.6 1,-0.3 5,-0.2 0.888 115.8 42.3 -39.5 -55.6 -3.0 -19.9 35.7 92 119 A L H X S+ 0 0 116 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.806 112.8 51.7 -72.6 -31.9 -4.0 -21.7 38.9 93 120 A V H X S+ 0 0 15 -4,-1.2 4,-1.8 -3,-0.5 -1,-0.2 0.921 112.0 47.2 -69.9 -44.5 -7.5 -22.7 37.7 94 121 A G H X S+ 0 0 0 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.945 110.0 52.9 -56.5 -50.3 -6.0 -24.2 34.5 95 122 A D H X S+ 0 0 71 -4,-2.6 4,-2.6 -5,-0.3 -1,-0.2 0.875 107.0 54.2 -53.6 -38.6 -3.3 -26.0 36.6 96 123 A Y H X S+ 0 0 33 -4,-1.7 4,-2.4 2,-0.2 -1,-0.3 0.904 108.4 47.3 -61.8 -43.0 -6.2 -27.3 38.6 97 124 A L H X S+ 0 0 2 -4,-1.8 4,-3.1 2,-0.2 -2,-0.2 0.893 110.3 52.8 -68.9 -39.8 -7.9 -28.7 35.5 98 125 A F H X S+ 0 0 66 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.954 110.0 48.0 -54.9 -53.6 -4.6 -30.2 34.3 99 126 A S H X S+ 0 0 53 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.924 114.0 47.3 -55.3 -44.8 -4.3 -32.0 37.6 100 127 A R H X S+ 0 0 47 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.886 108.8 54.0 -65.0 -38.6 -7.9 -33.2 37.3 101 128 A S H X S+ 0 0 5 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.871 108.5 51.1 -59.5 -35.1 -7.3 -34.3 33.7 102 129 A F H X S+ 0 0 123 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.896 105.8 53.5 -74.0 -43.3 -4.4 -36.4 34.9 103 130 A Q H X S+ 0 0 87 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.884 108.2 52.3 -53.1 -46.3 -6.4 -38.1 37.7 104 131 A L H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.904 110.1 45.7 -61.3 -45.9 -9.0 -39.1 35.1 105 132 A M H ><>S+ 0 0 17 -4,-1.7 3,-1.3 1,-0.2 5,-0.6 0.893 110.5 54.3 -66.6 -39.4 -6.5 -40.8 32.7 106 133 A V H ><5S+ 0 0 75 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.904 100.5 60.7 -61.5 -40.7 -4.7 -42.6 35.5 107 134 A E T 3<5S+ 0 0 86 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.685 91.8 68.9 -58.9 -18.4 -8.0 -44.1 36.6 108 135 A T T < 5S- 0 0 10 -3,-1.3 -1,-0.3 -4,-0.5 -2,-0.2 0.617 98.1-136.0 -76.8 -15.6 -8.3 -45.8 33.2 109 136 A G T < 5 + 0 0 69 -3,-1.9 2,-0.7 -4,-0.3 -3,-0.1 0.487 61.3 127.4 75.1 5.5 -5.5 -48.1 34.0 110 137 A S >< - 0 0 25 -5,-0.6 4,-1.2 1,-0.2 -1,-0.2 -0.841 37.7-176.8-108.0 114.3 -3.9 -47.7 30.6 111 138 A L H > S+ 0 0 145 -2,-0.7 4,-3.0 1,-0.2 5,-0.2 0.892 85.2 62.0 -72.0 -37.7 -0.2 -46.7 30.3 112 139 A R H > S+ 0 0 114 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 105.8 43.8 -52.7 -48.8 -0.5 -46.5 26.6 113 140 A V H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.809 112.5 54.5 -69.3 -29.8 -3.1 -43.7 26.6 114 141 A L H X S+ 0 0 32 -4,-1.2 4,-2.5 2,-0.2 -2,-0.2 0.911 108.5 48.1 -68.0 -44.8 -1.1 -41.9 29.3 115 142 A D H X S+ 0 0 97 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.944 112.3 50.1 -56.4 -48.4 1.9 -42.0 27.1 116 143 A I H X S+ 0 0 20 -4,-2.3 4,-1.9 1,-0.2 -2,-0.2 0.941 116.8 39.1 -59.4 -49.7 -0.2 -40.7 24.2 117 144 A L H X S+ 0 0 2 -4,-2.9 4,-2.0 2,-0.2 -1,-0.2 0.747 114.2 55.2 -73.7 -25.8 -1.7 -37.8 26.3 118 145 A A H X S+ 0 0 51 -4,-2.5 4,-1.4 2,-0.2 -2,-0.2 0.932 112.4 42.5 -70.4 -46.0 1.7 -37.2 28.0 119 146 A N H X S+ 0 0 86 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.856 113.5 52.7 -66.1 -35.2 3.4 -36.8 24.7 120 147 A A H X S+ 0 0 9 -4,-1.9 4,-3.2 -5,-0.3 -1,-0.2 0.925 106.7 51.7 -65.3 -46.2 0.6 -34.7 23.3 121 148 A S H X S+ 0 0 59 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.831 109.1 53.1 -58.0 -35.5 0.7 -32.3 26.3 122 149 A A H X S+ 0 0 48 -4,-1.4 4,-2.4 2,-0.2 -2,-0.2 0.968 110.3 45.8 -63.4 -52.5 4.4 -32.0 25.5 123 150 A T H X S+ 0 0 60 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.924 113.1 50.8 -56.0 -46.1 3.7 -31.1 21.8 124 151 A I H X S+ 0 0 10 -4,-3.2 4,-2.4 1,-0.2 3,-0.4 0.963 113.7 42.1 -58.9 -56.0 1.0 -28.7 22.9 125 152 A A H X S+ 0 0 49 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.835 113.4 55.2 -60.1 -34.3 3.1 -26.8 25.4 126 153 A E H X S+ 0 0 138 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.818 108.2 48.0 -68.8 -36.0 6.0 -26.9 22.9 127 154 A G H X S+ 0 0 4 -4,-2.3 4,-2.8 -3,-0.4 -2,-0.2 0.938 104.7 59.3 -66.4 -49.8 4.0 -25.3 20.2 128 155 A E H X S+ 0 0 46 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.845 111.9 40.9 -46.6 -41.5 2.7 -22.5 22.6 129 156 A V H X S+ 0 0 87 -4,-1.3 4,-1.3 2,-0.2 -1,-0.2 0.889 111.5 54.4 -77.5 -43.0 6.3 -21.5 23.2 130 157 A L H X S+ 0 0 54 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.831 103.9 59.3 -56.3 -33.2 7.3 -21.9 19.5 131 158 A Q H X S+ 0 0 26 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.914 97.3 59.0 -62.1 -43.4 4.4 -19.6 18.8 132 159 A L H < S+ 0 0 127 -4,-1.0 -1,-0.2 -3,-0.2 -2,-0.2 0.933 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135.2 -11.5 -9.4 10.6 205 237 A G T 3> S+ 0 0 0 -8,-2.7 4,-2.6 3,-0.1 5,-0.3 0.419 84.8 130.3 82.5 1.7 -7.8 -8.6 10.7 206 238 A D H <> S+ 0 0 51 -3,-1.7 4,-2.9 -9,-0.3 5,-0.2 0.912 73.8 46.7 -54.0 -51.8 -7.4 -9.8 14.2 207 239 A D H 4>S+ 0 0 10 -4,-0.2 5,-2.4 2,-0.2 4,-0.5 0.837 111.8 55.1 -58.3 -35.5 -4.4 -12.0 13.4 208 240 A F H >45S+ 0 0 1 -3,-0.3 3,-1.0 2,-0.2 -2,-0.2 0.949 111.0 41.2 -63.3 -52.2 -3.0 -9.0 11.5 209 241 A R H 3<5S+ 0 0 119 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.912 113.0 56.5 -62.1 -41.3 -3.2 -6.6 14.4 210 242 A E T 3<5S- 0 0 114 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.584 104.9-132.6 -63.8 -16.0 -1.9 -9.5 16.7 211 243 A R T < 5 + 0 0 65 -3,-1.0 -75,-1.3 -4,-0.5 2,-0.5 0.810 54.7 151.3 65.3 30.6 1.2 -9.8 14.4 212 244 A K < - 0 0 28 -5,-2.4 2,-1.6 -77,-0.2 -1,-0.3 -0.832 51.3-122.3-100.0 125.4 0.5 -13.5 14.4 213 245 A L - 0 0 9 -2,-0.5 -5,-0.1 -79,-0.2 2,-0.0 -0.544 35.3-178.8 -81.8 86.4 1.7 -15.3 11.3 214 246 A T > - 0 0 0 -2,-1.6 4,-1.9 -20,-0.1 3,-0.2 -0.259 42.4-102.9 -65.8 161.9 -1.3 -17.0 9.8 215 247 A M H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.913 121.2 55.6 -62.1 -45.7 -0.9 -19.1 6.7 216 248 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.880 110.2 48.1 -53.2 -36.5 -2.4 -16.4 4.3 217 249 A L H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.871 110.1 51.1 -71.3 -37.6 0.2 -14.0 5.7 218 250 A I H X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.908 110.8 47.8 -64.7 -44.8 3.1 -16.5 5.3 219 251 A K H < S+ 0 0 36 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.824 114.6 47.4 -66.6 -32.9 2.1 -17.1 1.7 220 252 A A H >< S+ 0 0 0 -4,-1.5 3,-1.9 -5,-0.3 4,-0.2 0.962 113.3 46.2 -69.9 -52.7 1.9 -13.3 1.1 221 253 A V H >< S+ 0 0 7 -4,-3.0 3,-2.3 1,-0.3 -2,-0.2 0.884 102.1 67.1 -56.9 -40.8 5.2 -12.5 2.7 222 254 A A T 3< S+ 0 0 72 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.680 108.6 38.4 -54.1 -20.1 6.8 -15.4 0.8 223 255 A K T < S+ 0 0 118 -3,-1.9 2,-0.3 -4,-0.3 -1,-0.3 0.271 87.1 133.3-114.6 9.9 6.2 -13.3 -2.4 224 256 A A < - 0 0 10 -3,-2.3 2,-0.1 -4,-0.2 -3,-0.1 -0.454 41.4-154.4 -69.0 122.1 7.0 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<5S+ 0 0 0 -4,-1.9 -2,-0.2 4,-0.2 -1,-0.1 0.539 130.4 25.9 -88.3 -9.5 3.3 -3.8 10.7 236 268 A I T <5S+ 0 0 1 -4,-1.4 -3,-0.2 -5,-0.2 -2,-0.1 0.715 129.7 32.1-118.1 -61.9 4.4 -7.2 12.1 237 269 A E T - 0 0 94 -2,-0.3 3,-1.3 1,-0.1 4,-0.3 -0.659 46.7 -53.0-133.2-175.4 -2.1 3.1 11.0 243 275 A E T 3 S+ 0 0 185 1,-0.2 -1,-0.1 -2,-0.2 0, 0.0 -0.487 123.1 25.7 -60.6 136.2 -5.4 3.9 9.2 244 276 A G T 3> S+ 0 0 36 -2,-0.2 4,-1.6 -3,-0.0 -1,-0.2 0.155 89.2 107.5 95.7 -16.2 -5.5 2.0 5.8 245 277 A D H <> S+ 0 0 14 -3,-1.3 4,-2.0 1,-0.2 -2,-0.1 0.783 75.8 51.1 -70.4 -32.0 -3.0 -0.8 6.8 246 278 A L H > S+ 0 0 44 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.875 109.9 50.6 -69.4 -39.5 -5.6 -3.6 7.1 247 279 A Q H > S+ 0 0 142 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.861 111.2 49.1 -67.0 -36.5 -7.0 -2.8 3.6 248 280 A H H X S+ 0 0 76 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.916 109.2 51.4 -70.4 -45.3 -3.5 -2.9 2.2 249 281 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.918 111.1 48.7 -52.3 -49.6 -2.7 -6.2 3.8 250 282 A I H X S+ 0 0 35 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83 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.900 114.9 49.0 -55.6 -43.9 -7.4 -19.2 -2.5 261 293 A D H X S+ 0 0 62 -4,-1.8 4,-1.4 2,-0.2 -1,-0.2 0.838 111.1 47.9 -67.5 -36.4 -4.2 -21.0 -2.0 262 294 A T H X S+ 0 0 0 -4,-0.8 4,-2.6 2,-0.2 -2,-0.2 0.881 107.5 56.8 -71.6 -39.1 -4.8 -21.4 1.8 263 295 A S H X S+ 0 0 7 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.857 104.8 54.0 -52.0 -39.1 -8.3 -22.6 1.1 264 296 A V H X S+ 0 0 69 -4,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.883 106.7 48.9 -69.3 -39.9 -6.7 -25.3 -1.0 265 297 A V H X S+ 0 0 35 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.936 111.1 51.8 -66.0 -44.6 -4.5 -26.5 1.8 266 298 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.952 112.5 44.3 -48.8 -56.5 -7.6 -26.6 4.1 267 299 A R H X S+ 0 0 111 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.860 112.4 53.7 -61.2 -34.6 -9.5 -28.7 1.6 268 300 A T H X S+ 0 0 88 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.885 109.1 46.2 -71.1 -42.6 -6.5 -31.0 0.9 269 301 A Q H X S+ 0 0 28 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.888 110.6 54.3 -65.7 -40.6 -6.0 -31.8 4.6 270 302 A A H X S+ 0 0 2 -4,-2.1 4,-1.7 -5,-0.3 -2,-0.2 0.859 109.2 47.5 -61.4 -36.2 -9.7 -32.4 5.0 271 303 A A H X S+ 0 0 56 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.878 109.4 55.1 -70.8 -35.6 -9.6 -34.9 2.1 272 304 A R H X S+ 0 0 68 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.885 104.3 54.2 -61.1 -41.8 -6.6 -36.5 3.8 273 305 A A H X S+ 0 0 0 -4,-2.3 4,-0.6 1,-0.2 3,-0.3 0.965 110.6 45.1 -56.0 -53.5 -8.6 -36.9 7.0 274 306 A K H >< S+ 0 0 67 -4,-1.7 3,-1.1 1,-0.2 4,-0.3 0.888 111.3 52.1 -62.1 -41.4 -11.3 -38.8 5.1 275 307 A A H >< S+ 0 0 65 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.856 98.9 65.4 -62.6 -34.3 -8.8 -41.0 3.2 276 308 A A H 3< S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.3 4,-0.2 0.724 96.4 57.8 -62.8 -20.8 -7.1 -41.9 6.4 277 309 A L T X< S+ 0 0 2 -3,-1.1 3,-0.9 -4,-0.6 -1,-0.3 0.581 80.3 101.1 -78.4 -9.4 -10.4 -43.7 7.4 278 310 A A T < S+ 0 0 65 -3,-2.1 -1,-0.2 -4,-0.3 -2,-0.1 0.836 76.1 46.5 -50.3 -56.0 -10.2 -45.9 4.3 279 311 A P T 3 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.777 90.6 101.3 -64.1 -26.5 -8.9 -49.2 5.6 280 312 A L S < S- 0 0 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S+ 0 0 41 -4,-1.1 4,-1.7 -3,-0.5 3,-0.6 0.955 111.3 47.1 -68.2 -55.4 -16.3 -38.4 7.0 291 323 A D H 3X S+ 0 0 41 -4,-2.4 4,-3.3 1,-0.3 -2,-0.2 0.844 108.8 56.9 -51.5 -39.0 -19.2 -35.8 7.2 292 324 A L H 3X S+ 0 0 3 -4,-1.8 4,-2.4 2,-0.2 -1,-0.3 0.867 102.0 54.8 -62.7 -37.9 -17.2 -34.1 10.0 293 325 A A H X S+ 0 0 69 -4,-1.7 3,-0.6 2,-0.2 4,-0.6 0.909 112.3 56.0 -68.8 -44.2 -16.6 -31.9 5.1 295 327 A Y H >< S+ 0 0 84 -4,-3.3 3,-1.0 1,-0.2 4,-0.4 0.873 100.7 58.4 -56.4 -41.6 -18.3 -30.0 7.9 296 328 A V H 3< S+ 0 0 8 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.863 115.4 35.5 -60.0 -34.1 -15.0 -28.5 9.1 297 329 A V H X< S+ 0 0 21 -4,-0.8 3,-1.5 -3,-0.6 -1,-0.2 0.360 87.6 100.1-101.8 8.2 -14.4 -27.0 5.6 298 330 A E T << S+ 0 0 95 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.842 73.2 64.7 -63.8 -32.9 -18.0 -26.1 4.7 299 331 A R T 3 0 0 154 -4,-0.4 -1,-0.3 -3,-0.3 -2,-0.1 0.374 360.0 360.0 -75.0 4.2 -17.5 -22.4 5.7 300 332 A I < 0 0 47 -3,-1.5 -1,-0.3 -37,-0.1 -2,-0.2 0.092 360.0 360.0-124.8 360.0 -15.0 -21.9 2.9