==== 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 3FPE . 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) . 24582.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 383 72.5 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 . 23 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 71 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 201 38.1 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 3 1 0 5 0 1 3 0 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 56 0, 0.0 506,-0.2 0, 0.0 503,-0.1 0.000 360.0 360.0 360.0 171.8 5.6 -4.2 26.8 2 3 A a + 0 0 38 504,-0.1 2,-0.1 4,-0.0 505,-0.1 -0.190 360.0 171.7-156.9 46.9 2.5 -2.0 26.8 3 4 A Y >> - 0 0 14 1,-0.1 3,-1.3 48,-0.1 4,-0.7 -0.400 35.1-135.4 -71.4 136.6 2.1 0.2 23.7 4 5 A I H 3> S+ 0 0 104 1,-0.2 4,-1.5 2,-0.2 3,-0.2 0.826 103.5 64.8 -59.6 -29.3 -1.2 2.1 23.3 5 6 A Y H 3> S+ 0 0 34 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.736 87.3 70.1 -68.1 -24.8 -1.2 1.1 19.6 6 7 A W H <> S+ 0 0 45 -3,-1.3 4,-2.4 2,-0.2 -1,-0.2 0.972 104.7 38.4 -56.7 -57.9 -1.5 -2.6 20.5 7 8 A D H X S+ 0 0 112 -4,-0.7 4,-2.6 -3,-0.2 -1,-0.2 0.865 113.8 56.4 -61.2 -39.1 -5.1 -2.2 21.7 8 9 A K H X S+ 0 0 103 -4,-1.5 4,-2.3 2,-0.2 -1,-0.2 0.928 110.4 45.2 -59.0 -44.5 -6.0 0.3 19.0 9 10 A I H X S+ 0 0 1 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.926 111.6 51.0 -64.0 -46.8 -4.9 -2.3 16.4 10 11 A K H X S+ 0 0 69 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.897 110.8 51.1 -58.4 -41.5 -6.8 -5.2 18.1 11 12 A R H X S+ 0 0 181 -4,-2.6 4,-1.0 2,-0.2 -2,-0.2 0.945 110.1 46.4 -63.9 -47.7 -9.9 -3.0 18.1 12 13 A I H >< S+ 0 0 8 -4,-2.3 3,-1.5 1,-0.2 4,-0.4 0.958 112.4 52.5 -55.9 -47.7 -9.7 -2.1 14.4 13 14 A A H >X S+ 0 0 5 -4,-2.7 3,-1.6 1,-0.3 4,-1.5 0.859 100.6 61.2 -58.5 -37.6 -9.1 -5.8 13.6 14 15 A S H 3< S+ 0 0 70 -4,-2.1 4,-0.4 1,-0.3 -1,-0.3 0.778 103.5 50.6 -59.9 -28.0 -12.2 -6.8 15.6 15 16 A R T << S+ 0 0 118 -3,-1.5 -1,-0.3 -4,-1.0 -2,-0.2 0.461 110.3 50.4 -91.5 -2.1 -14.3 -4.7 13.2 16 17 A L T X4 S+ 0 0 0 -3,-1.6 3,-2.2 -4,-0.4 4,-0.4 0.634 86.3 84.9 -97.8 -23.0 -12.7 -6.4 10.2 17 18 A E G >< S+ 0 0 92 -4,-1.5 3,-1.9 1,-0.3 -2,-0.1 0.863 84.2 58.5 -49.9 -43.8 -13.3 -10.0 11.4 18 19 A G G 3 S+ 0 0 84 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.570 105.0 50.6 -68.5 -12.4 -16.8 -10.2 10.0 19 20 A M G X S+ 0 0 55 -3,-2.2 3,-2.3 2,-0.0 -1,-0.3 0.416 81.3 138.9 -96.3 -3.8 -15.5 -9.4 6.5 20 21 A N T < S+ 0 0 27 -3,-1.9 -3,-0.0 -4,-0.4 47,-0.0 -0.086 74.2 7.4 -53.6 139.0 -12.8 -12.2 6.6 21 22 A Y T 3 S+ 0 0 180 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.493 127.5 65.5 67.5 6.1 -12.4 -14.3 3.4 22 23 A H X + 0 0 104 -3,-2.3 3,-1.9 2,-0.0 -2,-0.2 0.107 53.1 123.4-142.6 25.6 -14.8 -11.8 1.7 23 24 A F G > + 0 0 0 1,-0.3 3,-1.7 2,-0.2 -3,-0.1 0.706 66.1 71.9 -61.9 -22.3 -13.0 -8.5 1.6 24 25 A D G 3 S+ 0 0 96 1,-0.3 -1,-0.3 53,-0.0 -2,-0.0 0.694 89.6 62.8 -69.5 -12.5 -13.3 -8.3 -2.2 25 26 A E G < S+ 0 0 143 -3,-1.9 -1,-0.3 -6,-0.2 -2,-0.2 0.404 78.9 131.4 -89.5 1.2 -17.0 -7.6 -1.6 26 27 A M < - 0 0 11 -3,-1.7 2,-0.7 1,-0.1 3,-0.1 -0.165 63.5-122.4 -55.1 143.6 -16.2 -4.4 0.2 27 28 A D > - 0 0 110 1,-0.2 4,-1.5 2,-0.0 5,-0.1 -0.846 23.8-149.1 -86.1 113.4 -18.0 -1.1 -0.6 28 29 A T T 4 S+ 0 0 15 -2,-0.7 4,-0.4 1,-0.2 3,-0.4 0.887 91.9 40.6 -56.6 -51.0 -15.2 1.2 -1.5 29 30 A S T >4 S+ 0 0 93 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.915 113.1 57.2 -64.3 -39.9 -16.7 4.5 -0.5 30 31 A G T 34 S+ 0 0 53 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.736 107.4 46.7 -64.6 -26.5 -18.2 2.9 2.7 31 32 A V T >X S+ 0 0 14 -4,-1.5 4,-1.7 -3,-0.4 3,-0.6 0.381 78.1 99.6-102.9 3.4 -14.8 1.6 4.0 32 33 A M H <> S+ 0 0 35 -3,-1.1 4,-2.5 -4,-0.4 -1,-0.2 0.903 79.1 58.9 -58.2 -41.3 -12.7 4.7 3.6 33 34 A P H 3> S+ 0 0 79 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.879 104.1 52.4 -54.0 -36.3 -13.1 5.6 7.3 34 35 A L H <> S+ 0 0 22 -3,-0.6 4,-2.2 2,-0.2 -2,-0.2 0.900 107.3 50.8 -65.1 -42.1 -11.5 2.2 8.2 35 36 A L H X S+ 0 0 2 -4,-1.7 4,-3.1 2,-0.2 5,-0.2 0.928 108.3 53.9 -59.5 -42.1 -8.5 2.9 5.9 36 37 A D H X S+ 0 0 77 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.936 107.7 50.0 -56.3 -46.7 -8.2 6.3 7.7 37 38 A E H X S+ 0 0 71 -4,-2.2 4,-0.9 1,-0.2 -1,-0.2 0.918 113.9 44.8 -56.4 -47.2 -8.1 4.5 11.1 38 39 A I H >X S+ 0 0 2 -4,-2.2 4,-2.5 1,-0.2 3,-0.7 0.931 112.8 50.5 -67.4 -44.0 -5.4 2.1 9.9 39 40 A E H 3X S+ 0 0 4 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.780 99.3 65.2 -67.7 -27.2 -3.4 4.9 8.3 40 41 A E H 3< S+ 0 0 157 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.872 112.1 36.4 -58.7 -37.2 -3.4 7.1 11.4 41 42 A I H X< S+ 0 0 11 -4,-0.9 3,-1.5 -3,-0.7 -2,-0.2 0.929 116.8 51.4 -80.0 -48.9 -1.4 4.3 13.1 42 43 A A H 3< S+ 0 0 1 -4,-2.5 184,-0.2 1,-0.3 -2,-0.2 0.860 114.9 43.4 -55.6 -40.3 0.7 3.4 10.0 43 44 A H T 3< S+ 0 0 34 -4,-2.7 2,-0.7 -5,-0.1 -1,-0.3 0.336 78.7 124.7 -92.9 3.2 1.7 7.1 9.5 44 45 A D X - 0 0 47 -3,-1.5 3,-1.4 1,-0.2 181,-0.2 -0.532 45.1-162.5 -71.3 109.4 2.4 8.0 13.1 45 46 A S T 3 S+ 0 0 120 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.546 81.8 69.8 -75.5 -4.7 6.0 9.3 13.1 46 47 A T T 3 S+ 0 0 102 2,-0.1 2,-0.8 464,-0.0 -1,-0.3 0.593 77.3 93.2 -84.4 -11.4 6.4 8.9 16.8 47 48 A I S < S- 0 0 15 -3,-1.4 178,-0.3 -6,-0.1 2,-0.1 -0.749 72.8-145.7 -84.6 113.7 6.5 5.1 16.5 48 49 A D > - 0 0 30 -2,-0.8 4,-2.0 1,-0.1 3,-0.2 -0.360 22.1-111.1 -75.0 160.4 10.1 4.0 16.1 49 50 A F H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.842 116.2 54.3 -65.1 -34.2 11.0 1.1 13.9 50 51 A E H > S+ 0 0 75 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 110.0 46.9 -65.0 -39.8 12.0 -1.1 16.9 51 52 A S H > S+ 0 0 3 2,-0.2 4,-1.9 -3,-0.2 -2,-0.2 0.839 110.7 52.8 -68.7 -36.7 8.6 -0.6 18.6 52 53 A A H X S+ 0 0 0 -4,-2.0 4,-2.9 2,-0.2 5,-0.2 0.944 110.4 47.2 -64.1 -46.1 6.8 -1.3 15.3 53 54 A K H X S+ 0 0 101 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.889 107.8 57.0 -61.6 -39.6 8.7 -4.6 14.9 54 55 A H H X S+ 0 0 38 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.927 114.3 38.6 -54.9 -49.6 7.9 -5.4 18.6 55 56 A I H >< S+ 0 0 0 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.925 118.5 45.4 -67.3 -49.6 4.1 -5.1 17.8 56 57 A L H 3< S+ 0 0 15 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.751 113.6 48.3 -77.1 -24.7 4.0 -6.6 14.3 57 58 A D H 3< S+ 0 0 107 -4,-2.3 -1,-0.2 -5,-0.2 2,-0.2 0.540 81.3 113.1 -89.0 -11.1 6.1 -9.6 15.1 58 59 A D X< - 0 0 51 -3,-0.7 3,-2.1 -4,-0.6 4,-0.4 -0.457 68.3-136.0 -65.1 130.2 4.3 -10.6 18.4 59 60 A A G > S+ 0 0 89 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.813 103.9 62.8 -56.0 -32.7 2.5 -14.0 17.8 60 61 A E G 3 S+ 0 0 142 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.601 101.9 53.4 -69.3 -11.4 -0.6 -12.6 19.6 61 62 A M G <> S+ 0 0 0 -3,-2.1 4,-2.8 -6,-0.1 -1,-0.3 0.484 80.2 96.8 -98.7 -8.0 -0.8 -10.1 16.8 62 63 A N H <> S+ 0 0 116 -3,-1.4 4,-2.3 -4,-0.4 -2,-0.1 0.907 86.0 42.2 -52.3 -49.1 -0.8 -12.6 13.9 63 64 A H H > S+ 0 0 93 -4,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.925 115.5 48.6 -69.2 -43.8 -4.5 -12.8 13.3 64 65 A A H > S+ 0 0 6 -4,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.900 111.8 51.0 -59.9 -44.1 -5.2 -9.1 13.6 65 66 A L H X S+ 0 0 11 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.920 107.6 53.0 -61.0 -42.8 -2.3 -8.4 11.2 66 67 A S H X S+ 0 0 53 -4,-2.3 4,-2.4 -5,-0.3 -2,-0.2 0.908 109.5 48.7 -60.1 -42.2 -3.7 -10.8 8.7 67 68 A L H X S+ 0 0 2 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.912 111.9 47.9 -63.6 -46.0 -7.1 -9.1 8.7 68 69 A I H X S+ 0 0 1 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.927 112.5 49.1 -63.2 -42.0 -5.6 -5.7 8.3 69 70 A R H X S+ 0 0 60 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.914 110.8 49.9 -65.5 -41.5 -3.4 -6.8 5.4 70 71 A K H X S+ 0 0 60 -4,-2.4 4,-2.1 -5,-0.2 5,-0.2 0.932 112.0 48.6 -61.9 -43.7 -6.4 -8.5 3.6 71 72 A F H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 5,-0.2 0.946 112.5 48.5 -58.3 -48.5 -8.5 -5.4 4.0 72 73 A Y H X S+ 0 0 32 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.909 112.1 46.3 -61.0 -46.8 -5.7 -3.2 2.7 73 74 A V H X S+ 0 0 34 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.916 115.1 46.9 -69.3 -38.0 -4.8 -5.3 -0.4 74 75 A N H X S+ 0 0 21 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.881 112.4 49.0 -71.1 -37.3 -8.5 -5.7 -1.4 75 76 A L H X S+ 0 0 2 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.930 111.7 49.7 -66.4 -43.8 -9.3 -2.0 -0.9 76 77 A G H X S+ 0 0 22 -4,-2.3 4,-2.2 1,-0.2 5,-0.2 0.927 111.8 48.0 -60.2 -47.3 -6.3 -0.9 -3.0 77 78 A M H X S+ 0 0 84 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.921 113.3 46.9 -61.0 -44.3 -7.2 -3.3 -5.8 78 79 A K H X S+ 0 0 59 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.887 110.2 52.6 -67.4 -39.6 -10.8 -2.2 -6.0 79 80 A L H X S+ 0 0 19 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.903 112.1 46.1 -61.3 -43.8 -9.9 1.5 -5.9 80 81 A E H X S+ 0 0 37 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.921 112.6 50.0 -64.8 -45.2 -7.5 1.0 -8.9 81 82 A M H X S+ 0 0 70 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.944 112.6 47.1 -58.8 -47.0 -10.1 -1.0 -10.8 82 83 A E H X S+ 0 0 86 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.891 113.3 47.6 -65.6 -39.5 -12.8 1.5 -10.3 83 84 A K H X S+ 0 0 18 -4,-2.1 4,-2.9 2,-0.2 -1,-0.2 0.910 107.8 55.6 -69.7 -40.7 -10.6 4.5 -11.2 84 85 A A H X S+ 0 0 0 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.945 110.6 45.6 -54.8 -48.7 -9.4 2.7 -14.4 85 86 A Q H X S+ 0 0 92 -4,-2.1 4,-1.6 1,-0.2 -1,-0.2 0.908 112.6 51.1 -62.6 -41.4 -13.0 2.2 -15.5 86 87 A E H X S+ 0 0 98 -4,-2.1 4,-0.7 2,-0.2 -2,-0.2 0.896 109.0 51.0 -59.8 -44.1 -13.8 5.9 -14.7 87 88 A V H >< S+ 0 0 1 -4,-2.9 3,-0.9 1,-0.2 -2,-0.2 0.919 109.2 49.8 -61.0 -45.8 -10.8 7.2 -16.6 88 89 A I H 3< S+ 0 0 39 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.830 115.2 44.6 -63.2 -34.5 -11.7 5.2 -19.8 89 90 A E H 3< S+ 0 0 144 -4,-1.6 -1,-0.2 -5,-0.2 2,-0.2 0.534 96.2 105.8 -87.3 -5.7 -15.3 6.5 -19.6 90 91 A S << - 0 0 33 -3,-0.9 4,-0.1 -4,-0.7 -3,-0.0 -0.503 58.4-155.2 -87.2 141.6 -14.3 10.2 -18.9 91 92 A D S S+ 0 0 168 1,-0.2 -1,-0.1 -2,-0.2 -4,-0.1 0.689 104.4 40.7 -73.0 -25.1 -14.4 13.3 -21.1 92 93 A S S > S+ 0 0 58 1,-0.1 4,-2.6 2,-0.1 -1,-0.2 -0.646 73.8 168.0-121.0 70.3 -11.6 14.7 -18.9 93 94 A P H > S+ 0 0 28 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.872 74.0 50.0 -60.7 -39.1 -9.4 11.7 -18.3 94 95 A W H > S+ 0 0 41 2,-0.2 4,-2.5 1,-0.2 5,-0.1 0.907 113.2 47.0 -66.2 -38.5 -6.4 13.5 -16.8 95 96 A E H > S+ 0 0 128 2,-0.2 4,-1.1 -3,-0.2 -1,-0.2 0.947 113.4 48.9 -64.4 -47.4 -8.6 15.4 -14.3 96 97 A T H >< S+ 0 0 16 -4,-2.6 3,-0.7 1,-0.2 4,-0.3 0.923 111.8 49.6 -55.2 -45.2 -10.4 12.2 -13.4 97 98 A L H >< S+ 0 0 0 -4,-3.0 3,-2.1 1,-0.2 -2,-0.2 0.936 105.7 56.5 -62.0 -43.9 -7.0 10.5 -13.0 98 99 A R H 3< S+ 0 0 127 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.711 99.1 61.7 -62.4 -20.8 -5.8 13.4 -10.7 99 100 A S T << S+ 0 0 73 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.503 73.4 126.3 -83.1 -5.7 -8.8 12.8 -8.4 100 101 A F S X S- 0 0 8 -3,-2.1 3,-1.9 -4,-0.3 -20,-0.1 -0.297 71.2-123.5 -52.1 131.2 -7.6 9.2 -7.6 101 102 A Y T 3 S+ 0 0 79 1,-0.3 4,-0.2 2,-0.1 -1,-0.1 0.844 109.6 37.4 -49.8 -39.8 -7.4 8.9 -3.8 102 103 A F T >> S+ 0 0 23 1,-0.2 4,-1.9 2,-0.1 3,-0.5 0.405 84.5 107.5 -94.3 1.3 -3.7 7.9 -3.9 103 104 A Y H <> S+ 0 0 24 -3,-1.9 4,-1.7 1,-0.2 3,-0.3 0.899 78.2 50.0 -50.9 -53.7 -2.6 10.3 -6.8 104 105 A P H 3> S+ 0 0 80 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.868 109.4 51.8 -56.1 -37.1 -0.6 12.8 -4.7 105 106 A R H <> S+ 0 0 23 -3,-0.5 4,-3.1 1,-0.2 -2,-0.2 0.884 105.7 55.4 -65.5 -39.8 1.3 10.0 -2.9 106 107 A Y H X S+ 0 0 40 -4,-1.9 4,-2.9 -3,-0.3 5,-0.2 0.887 104.1 53.8 -59.2 -40.0 2.3 8.5 -6.3 107 108 A L H X S+ 0 0 65 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.907 114.2 41.9 -61.0 -40.6 3.8 11.8 -7.3 108 109 A E H X S+ 0 0 83 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.912 113.0 52.4 -72.8 -43.3 5.9 11.9 -4.2 109 110 A L H X S+ 0 0 8 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.936 112.3 46.3 -56.2 -49.0 6.8 8.2 -4.4 110 111 A L H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.895 108.9 53.9 -65.0 -42.1 8.0 8.7 -8.0 111 112 A K H X S+ 0 0 117 -4,-2.0 4,-1.6 -5,-0.2 -1,-0.2 0.936 110.5 48.7 -54.4 -48.5 10.0 11.8 -7.1 112 113 A N H X S+ 0 0 35 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.906 114.2 45.8 -51.6 -49.9 11.7 9.7 -4.4 113 114 A E H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.863 106.8 56.9 -69.9 -36.8 12.5 6.9 -6.8 114 115 A A H <>S+ 0 0 13 -4,-2.8 5,-1.8 2,-0.2 4,-0.4 0.853 110.9 44.5 -64.3 -39.0 13.7 9.2 -9.6 115 116 A A H ><5S+ 0 0 80 -4,-1.6 3,-0.8 -5,-0.2 -2,-0.2 0.950 114.9 48.4 -66.8 -49.7 16.4 10.6 -7.3 116 117 A L H 3<5S+ 0 0 32 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.874 122.2 33.8 -56.3 -43.4 17.3 7.2 -6.0 117 118 A G T 3<5S- 0 0 2 -4,-2.9 -1,-0.2 -5,-0.1 -2,-0.2 0.347 103.4-128.3 -98.7 2.9 17.6 5.6 -9.5 118 119 A R T < 5 - 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