==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN, TRANSFERASE 05-JAN-09 3FPG . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOTHERMOBACTER THERMAUTOTROPHICUS . AUTHOR C.DREYFUS,D.PIGNOL,P.ARNOUX . 528 2 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 389 73.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 5.3 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 . 29 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 38.3 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 0 2 0 4 0 0 4 1 1 2 1 0 0 0 1 0 0 0 0 0 0 0 0 2 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 4 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 S 0 0 58 0, 0.0 506,-0.2 0, 0.0 503,-0.1 0.000 360.0 360.0 360.0 164.2 -5.4 3.8 26.7 2 3 A a + 0 0 42 504,-0.1 2,-0.2 4,-0.0 505,-0.1 -0.295 360.0 168.4-145.4 46.5 -2.3 1.6 26.8 3 4 A Y >> - 0 0 16 1,-0.1 3,-1.7 48,-0.1 4,-0.7 -0.537 35.9-137.9 -71.4 136.3 -2.1 -0.5 23.5 4 5 A I H 3> S+ 0 0 101 1,-0.3 4,-1.7 -2,-0.2 3,-0.4 0.825 102.7 64.6 -61.3 -33.1 1.3 -2.3 23.1 5 6 A Y H 3> S+ 0 0 33 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.668 89.7 68.1 -57.3 -26.5 1.1 -1.3 19.4 6 7 A W H <> S+ 0 0 42 -3,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.956 105.8 37.6 -63.5 -51.8 1.3 2.4 20.4 7 8 A D H X S+ 0 0 108 -4,-0.7 4,-2.5 -3,-0.4 -2,-0.2 0.855 114.8 55.7 -67.2 -40.6 4.9 2.1 21.6 8 9 A K H X S+ 0 0 108 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.935 109.6 46.4 -61.0 -45.7 5.8 -0.4 18.8 9 10 A I H X S+ 0 0 1 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.946 111.7 50.5 -60.4 -47.5 4.7 2.2 16.2 10 11 A K H X S+ 0 0 62 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.901 110.8 51.1 -58.1 -38.5 6.5 5.0 17.9 11 12 A R H X S+ 0 0 184 -4,-2.5 4,-1.2 2,-0.2 -2,-0.2 0.941 110.0 47.1 -64.7 -47.3 9.7 2.8 18.0 12 13 A I H >< S+ 0 0 7 -4,-2.3 3,-0.7 1,-0.2 4,-0.3 0.918 111.5 52.9 -56.4 -42.8 9.5 2.0 14.3 13 14 A A H >X S+ 0 0 5 -4,-2.9 3,-1.8 1,-0.2 4,-1.4 0.858 100.6 60.7 -64.0 -36.5 8.9 5.7 13.5 14 15 A S H 3< S+ 0 0 68 -4,-2.0 4,-0.5 1,-0.3 -1,-0.2 0.840 104.1 50.4 -58.2 -33.8 12.0 6.7 15.5 15 16 A R T << S+ 0 0 117 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.500 110.8 49.7 -84.4 -4.4 14.1 4.6 13.1 16 17 A L T X4 S+ 0 0 0 -3,-1.8 3,-2.3 -4,-0.3 4,-0.3 0.605 87.8 84.8 -98.2 -19.4 12.4 6.3 10.1 17 18 A E G >< S+ 0 0 92 -4,-1.4 3,-2.1 1,-0.3 -2,-0.1 0.872 84.1 56.1 -55.1 -45.5 13.0 9.8 11.4 18 19 A G G 3 S+ 0 0 83 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.531 104.1 55.2 -72.1 -5.4 16.5 10.1 10.0 19 20 A M G X S+ 0 0 52 -3,-2.3 3,-2.3 2,-0.0 -1,-0.3 0.387 80.6 139.7 -94.1 0.6 15.2 9.2 6.5 20 21 A N T < S+ 0 0 31 -3,-2.1 -3,-0.1 -4,-0.3 47,-0.0 -0.150 73.0 2.9 -59.0 134.5 12.7 12.1 6.6 21 22 A Y T 3 S+ 0 0 178 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.383 128.3 65.3 70.2 -1.9 12.3 14.1 3.3 22 23 A H X + 0 0 109 -3,-2.3 3,-1.5 1,-0.1 -2,-0.2 -0.033 54.0 123.6-134.3 36.5 14.7 11.8 1.6 23 24 A F G > + 0 0 1 1,-0.3 3,-1.9 2,-0.2 -3,-0.1 0.745 64.1 71.9 -68.6 -23.8 13.0 8.4 1.5 24 25 A D G 3 S+ 0 0 88 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.677 89.9 64.4 -64.0 -16.7 13.2 8.2 -2.3 25 26 A E G < S+ 0 0 136 -3,-1.5 -1,-0.3 -6,-0.2 -2,-0.2 0.337 79.2 134.0 -88.4 5.9 16.9 7.6 -1.6 26 27 A M < - 0 0 10 -3,-1.9 2,-0.7 1,-0.1 3,-0.1 -0.146 62.8-121.2 -54.2 140.2 16.1 4.3 0.2 27 28 A D > - 0 0 113 1,-0.2 4,-1.3 2,-0.0 -1,-0.1 -0.818 25.7-152.8 -83.5 114.5 18.0 1.0 -0.4 28 29 A T T 4 S+ 0 0 18 -2,-0.7 4,-0.4 1,-0.2 3,-0.3 0.915 88.2 42.8 -61.2 -48.3 15.2 -1.3 -1.5 29 30 A S T >4 S+ 0 0 93 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.927 114.2 51.2 -63.3 -43.4 16.7 -4.6 -0.5 30 31 A G T 34 S+ 0 0 54 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.655 106.5 53.8 -72.5 -19.8 18.0 -3.3 2.9 31 32 A V T >X S+ 0 0 11 -4,-1.3 4,-1.6 -3,-0.3 3,-0.7 0.429 78.6 95.9 -93.5 0.5 14.7 -1.7 4.0 32 33 A M H <> S+ 0 0 34 -3,-1.1 4,-2.5 -4,-0.4 5,-0.2 0.895 79.9 56.3 -62.6 -37.3 12.5 -4.9 3.6 33 34 A P H 3> S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.838 104.9 55.1 -57.2 -34.0 12.8 -6.0 7.3 34 35 A L H <> S+ 0 0 22 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.908 107.4 48.0 -67.1 -42.1 11.4 -2.5 8.1 35 36 A L H X S+ 0 0 0 -4,-1.6 4,-3.2 1,-0.2 -1,-0.2 0.932 109.0 54.1 -63.6 -40.1 8.4 -3.2 5.9 36 37 A D H X S+ 0 0 75 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.899 107.2 52.1 -57.4 -41.8 8.0 -6.6 7.6 37 38 A E H X S+ 0 0 66 -4,-1.9 4,-0.9 2,-0.2 -1,-0.2 0.896 113.0 42.6 -60.0 -46.3 7.9 -4.8 11.0 38 39 A I H X S+ 0 0 2 -4,-1.9 4,-2.7 1,-0.2 3,-0.4 0.906 114.1 52.4 -70.7 -41.7 5.2 -2.4 9.9 39 40 A E H X S+ 0 0 2 -4,-3.2 4,-2.9 2,-0.2 -2,-0.2 0.838 99.1 62.3 -61.9 -37.0 3.3 -5.2 8.2 40 41 A E H < S+ 0 0 156 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.865 112.9 39.4 -52.1 -41.3 3.4 -7.4 11.3 41 42 A I H >< S+ 0 0 10 -4,-0.9 3,-1.5 -3,-0.4 -2,-0.2 0.958 114.5 50.3 -74.9 -53.7 1.4 -4.6 12.9 42 43 A A H 3< S+ 0 0 2 -4,-2.7 184,-0.3 1,-0.3 -2,-0.2 0.857 115.1 45.6 -51.5 -40.3 -0.9 -3.7 9.9 43 44 A H T 3< S+ 0 0 34 -4,-2.9 2,-0.7 -5,-0.2 -1,-0.3 0.361 76.7 124.4 -91.8 5.8 -1.8 -7.4 9.5 44 45 A D X - 0 0 47 -3,-1.5 3,-1.6 1,-0.2 181,-0.2 -0.549 43.4-165.2 -72.5 107.8 -2.6 -8.3 13.1 45 46 A S T 3 S+ 0 0 117 -2,-0.7 -1,-0.2 1,-0.3 -3,-0.0 0.711 79.5 71.0 -75.2 -16.4 -6.1 -9.7 13.1 46 47 A T T 3 S+ 0 0 107 2,-0.1 2,-0.7 -3,-0.0 -1,-0.3 0.531 78.9 89.4 -74.5 -5.6 -6.6 -9.4 16.8 47 48 A I S < S- 0 0 12 -3,-1.6 178,-0.3 -6,-0.1 462,-0.0 -0.851 74.3-142.5 -98.0 120.9 -6.7 -5.6 16.5 48 49 A D > - 0 0 29 -2,-0.7 4,-2.5 1,-0.1 5,-0.2 -0.289 22.8-108.7 -80.4 165.6 -10.3 -4.4 16.0 49 50 A F H > S+ 0 0 102 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.862 118.4 53.0 -65.1 -34.5 -11.3 -1.5 13.8 50 51 A E H > S+ 0 0 72 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.887 110.8 46.5 -65.1 -44.2 -12.1 0.7 16.8 51 52 A S H > S+ 0 0 4 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.923 110.8 52.3 -60.7 -45.7 -8.7 0.1 18.4 52 53 A A H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.924 111.5 47.7 -54.6 -47.4 -6.9 0.8 15.1 53 54 A K H X S+ 0 0 101 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.894 104.0 59.0 -61.8 -43.2 -8.8 4.1 14.8 54 55 A H H < S+ 0 0 37 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.914 113.3 42.0 -49.0 -43.7 -8.0 5.0 18.4 55 56 A I H >< S+ 0 0 0 -4,-1.9 3,-0.7 2,-0.2 -2,-0.2 0.942 117.6 40.4 -74.4 -50.0 -4.3 4.8 17.4 56 57 A L H 3< S+ 0 0 20 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.813 115.1 52.9 -72.7 -28.7 -4.2 6.4 13.9 57 58 A D T 3< S+ 0 0 100 -4,-2.6 2,-0.2 -5,-0.3 -1,-0.2 0.553 82.9 108.5 -82.9 -8.9 -6.6 9.2 15.0 58 59 A D X - 0 0 57 -3,-0.7 3,-1.7 -4,-0.4 4,-0.3 -0.529 68.9-137.3 -75.0 136.2 -4.6 10.3 18.0 59 60 A A G > S+ 0 0 88 1,-0.3 3,-1.4 -2,-0.2 4,-0.3 0.828 102.7 61.5 -58.0 -35.8 -2.8 13.7 17.7 60 61 A E G 3 S+ 0 0 139 1,-0.3 -1,-0.3 2,-0.1 4,-0.3 0.578 101.9 53.3 -66.6 -16.3 0.3 12.2 19.4 61 62 A M G <> S+ 0 0 0 -3,-1.7 4,-2.6 -6,-0.2 -1,-0.3 0.408 80.7 97.8 -97.6 -3.3 0.7 9.7 16.5 62 63 A N H <> S+ 0 0 115 -3,-1.4 4,-1.9 -4,-0.3 5,-0.1 0.905 83.5 42.3 -63.3 -47.8 0.6 12.2 13.7 63 64 A H H > S+ 0 0 94 -4,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.908 116.7 48.4 -64.2 -41.5 4.3 12.6 13.0 64 65 A A H > S+ 0 0 7 -4,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.881 110.7 53.1 -66.0 -39.6 5.1 8.8 13.3 65 66 A L H X S+ 0 0 5 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.892 108.3 48.5 -60.4 -42.3 2.2 8.1 11.0 66 67 A S H X S+ 0 0 58 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.880 110.4 52.5 -67.7 -32.7 3.5 10.5 8.4 67 68 A L H X S+ 0 0 3 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.944 111.8 45.4 -65.8 -46.4 7.0 8.8 8.6 68 69 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.916 114.4 48.1 -62.2 -46.1 5.5 5.4 8.1 69 70 A R H X S+ 0 0 63 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.929 111.0 49.8 -63.0 -45.5 3.3 6.5 5.2 70 71 A K H X S+ 0 0 61 -4,-2.6 4,-2.0 -5,-0.2 5,-0.2 0.916 112.6 50.0 -59.7 -38.3 6.2 8.3 3.5 71 72 A F H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.957 112.2 45.6 -62.7 -53.1 8.3 5.2 3.9 72 73 A Y H X S+ 0 0 27 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.926 114.4 45.9 -60.5 -47.3 5.6 2.8 2.5 73 74 A V H X S+ 0 0 31 -4,-2.8 4,-2.7 156,-0.2 5,-0.2 0.975 115.8 46.9 -63.6 -47.8 4.7 5.0 -0.6 74 75 A N H X S+ 0 0 15 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.896 113.4 48.1 -60.0 -40.5 8.4 5.6 -1.4 75 76 A L H X S+ 0 0 2 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.948 112.5 48.3 -64.2 -49.3 9.3 1.9 -1.0 76 77 A G H X S+ 0 0 18 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.934 113.2 48.2 -54.9 -47.0 6.4 0.8 -3.2 77 78 A M H X S+ 0 0 77 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.915 112.3 48.0 -62.8 -44.0 7.3 3.3 -5.9 78 79 A K H X S+ 0 0 58 -4,-2.2 4,-2.9 -5,-0.2 -1,-0.2 0.892 111.7 49.7 -62.7 -41.0 11.0 2.4 -6.0 79 80 A L H X S+ 0 0 18 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.881 110.9 50.2 -65.5 -41.4 10.2 -1.3 -6.1 80 81 A Q H X S+ 0 0 34 -4,-2.1 4,-2.1 -5,-0.2 -2,-0.2 0.904 112.6 46.0 -60.3 -45.9 7.8 -0.8 -9.0 81 82 A M H X S+ 0 0 76 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.949 114.5 48.3 -63.6 -47.7 10.4 1.3 -10.9 82 83 A E H X S+ 0 0 82 -4,-2.9 4,-1.9 1,-0.2 -2,-0.2 0.910 113.8 46.2 -63.2 -43.1 13.1 -1.3 -10.2 83 84 A K H X S+ 0 0 17 -4,-2.7 4,-2.7 -5,-0.2 -1,-0.2 0.893 107.3 57.5 -67.4 -37.2 10.9 -4.2 -11.2 84 85 A A H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.953 110.3 43.5 -58.5 -50.8 9.7 -2.5 -14.4 85 86 A Q H X S+ 0 0 99 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.898 111.7 55.2 -60.8 -36.7 13.3 -2.1 -15.7 86 87 A E H X S+ 0 0 97 -4,-1.9 4,-0.8 1,-0.2 -1,-0.2 0.919 108.3 48.2 -64.7 -39.4 14.1 -5.6 -14.6 87 88 A V H >< S+ 0 0 2 -4,-2.7 3,-0.9 1,-0.2 -1,-0.2 0.933 108.7 53.4 -66.0 -45.2 11.2 -7.0 -16.7 88 89 A I H 3< S+ 0 0 39 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.838 114.5 42.3 -57.5 -39.1 12.2 -5.0 -19.7 89 90 A E H 3< S+ 0 0 149 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.538 94.9 111.1 -86.7 -6.6 15.7 -6.4 -19.5 90 91 A S << - 0 0 36 -3,-0.9 4,-0.1 -4,-0.8 -3,-0.0 -0.386 57.7-154.5 -80.7 143.9 14.8 -10.0 -18.8 91 92 A D S S+ 0 0 165 1,-0.2 -1,-0.1 -2,-0.1 -4,-0.1 0.643 105.6 37.8 -74.4 -21.0 15.1 -13.2 -20.9 92 93 A S S > S+ 0 0 57 1,-0.1 4,-2.3 2,-0.0 -1,-0.2 -0.655 74.0 168.1-132.1 69.6 12.1 -14.5 -18.8 93 94 A P H > S+ 0 0 27 0, 0.0 4,-3.1 0, 0.0 5,-0.2 0.848 73.2 52.0 -60.7 -41.2 9.9 -11.5 -18.3 94 95 A W H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.914 111.7 47.3 -61.1 -42.4 6.8 -13.3 -16.9 95 96 A E H > S+ 0 0 128 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.938 113.3 49.0 -65.8 -42.4 8.9 -15.1 -14.4 96 97 A T H >< S+ 0 0 15 -4,-2.3 3,-1.0 1,-0.2 4,-0.4 0.920 109.7 52.5 -62.4 -42.2 10.6 -11.8 -13.4 97 98 A L H >< S+ 0 0 0 -4,-3.1 3,-2.2 1,-0.3 -1,-0.2 0.955 106.7 52.8 -55.3 -49.5 7.2 -10.1 -13.2 98 99 A R H 3< S+ 0 0 124 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.620 97.2 66.6 -65.9 -11.8 6.0 -12.9 -10.9 99 100 A S T << S+ 0 0 70 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.546 72.6 125.0 -86.1 -3.3 9.0 -12.2 -8.6 100 101 A F S X S- 0 0 6 -3,-2.2 3,-2.0 -4,-0.4 -20,-0.1 -0.276 71.6-124.6 -53.7 133.3 7.6 -8.8 -7.8 101 102 A Y T 3 S+ 0 0 83 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.884 109.0 37.8 -57.0 -40.2 7.3 -8.5 -4.1 102 103 A F T 3> S+ 0 0 11 1,-0.2 4,-2.2 2,-0.1 -1,-0.3 0.378 86.8 106.2 -92.8 6.1 3.6 -7.7 -4.1 103 104 A Y H <> S+ 0 0 30 -3,-2.0 4,-2.0 1,-0.2 3,-0.2 0.925 78.7 46.9 -50.5 -59.0 2.7 -10.1 -7.0 104 105 A P H > S+ 0 0 84 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.874 114.3 51.5 -52.6 -38.2 1.0 -12.8 -5.0 105 106 A R H > S+ 0 0 21 -4,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.895 108.4 47.6 -65.9 -46.1 -1.0 -10.1 -3.2 106 107 A Y H X S+ 0 0 56 -4,-2.2 4,-2.8 -3,-0.2 5,-0.3 0.873 107.8 58.3 -62.3 -38.9 -2.2 -8.3 -6.3 107 108 A L H X S+ 0 0 61 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.949 111.9 39.3 -59.7 -48.0 -3.2 -11.6 -7.8 108 109 A E H X S+ 0 0 82 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.885 114.1 54.4 -67.7 -43.2 -5.6 -12.3 -4.8 109 110 A L H X S+ 0 0 4 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.893 111.7 45.0 -53.1 -47.7 -6.8 -8.6 -4.6 110 111 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.894 109.0 56.1 -65.3 -42.8 -7.8 -8.8 -8.3 111 112 A K H X S+ 0 0 117 -4,-1.9 4,-1.4 -5,-0.3 -2,-0.2 0.955 111.1 44.1 -50.9 -55.1 -9.4 -12.2 -7.8 112 113 A N H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.867 114.0 50.6 -54.2 -48.1 -11.6 -10.6 -5.0 113 114 A E H X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.2 5,-0.2 0.871 103.8 57.8 -64.9 -39.6 -12.3 -7.5 -7.2 114 115 A A H X>S+ 0 0 10 -4,-2.9 5,-1.9 2,-0.2 4,-0.7 0.900 109.2 45.3 -60.7 -39.4 -13.3 -9.6 -10.2 115 116 A A H ><5S+ 0 0 76 -4,-1.4 3,-0.6 3,-0.2 -2,-0.2 0.952 115.6 47.9 -64.7 -46.6 -16.0 -11.3 -8.1 116 117 A L H 3<5S+ 0 0 41 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.912 121.5 34.0 -60.5 -47.8 -17.1 -7.9 -6.7 117 118 A G H 3<5S- 0 0 2 -4,-3.3 -1,-0.2 -5,-0.1 -2,-0.2 0.416 105.4-126.2 -90.3 -1.0 -17.2 -6.2 -10.0 118 119 A R T <<5 - 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