==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 23-JUL-10 3O31 . COMPND 2 MOLECULE: THERMONICOTIANAMINE SYNTHASE; . 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) . 24358.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 391 74.1 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 . 26 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 14.4 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 4 0 0 5 0 0 4 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 58 0, 0.0 506,-0.2 0, 0.0 503,-0.1 0.000 360.0 360.0 360.0 170.5 26.7 4.5 26.7 2 3 A a + 0 0 39 504,-0.1 2,-0.1 4,-0.0 505,-0.1 -0.177 360.0 170.3-156.8 43.2 29.7 2.2 26.8 3 4 A Y >> - 0 0 17 1,-0.1 3,-1.5 48,-0.1 4,-0.6 -0.405 35.3-136.5 -69.8 135.5 30.1 -0.0 23.7 4 5 A I H 3> S+ 0 0 102 1,-0.3 4,-1.4 2,-0.2 3,-0.2 0.822 103.3 65.1 -58.4 -31.5 33.4 -1.9 23.4 5 6 A Y H 3> S+ 0 0 31 1,-0.2 4,-2.5 2,-0.2 -1,-0.3 0.686 86.1 72.1 -68.9 -20.3 33.4 -0.9 19.7 6 7 A W H <> S+ 0 0 46 -3,-1.5 4,-2.4 2,-0.2 -1,-0.2 0.982 104.4 36.3 -59.5 -58.9 33.8 2.8 20.6 7 8 A D H X S+ 0 0 111 -4,-0.6 4,-2.9 -3,-0.2 5,-0.2 0.864 114.6 57.1 -62.1 -38.3 37.4 2.4 21.8 8 9 A K H X S+ 0 0 103 -4,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.927 110.3 45.0 -59.1 -43.7 38.2 -0.1 19.1 9 10 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.926 112.9 49.7 -64.4 -46.6 37.1 2.4 16.4 10 11 A K H X S+ 0 0 69 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.885 110.3 51.8 -59.9 -41.9 39.0 5.2 18.0 11 12 A R H X S+ 0 0 179 -4,-2.9 4,-1.1 2,-0.2 -2,-0.2 0.942 110.4 46.9 -60.6 -48.5 42.2 3.1 18.2 12 13 A I H >< S+ 0 0 7 -4,-2.3 3,-1.3 1,-0.2 4,-0.5 0.964 111.6 52.2 -57.7 -46.3 42.0 2.2 14.5 13 14 A A H >X S+ 0 0 5 -4,-2.8 3,-1.5 1,-0.3 4,-1.4 0.848 100.5 61.3 -61.1 -34.5 41.4 5.8 13.6 14 15 A S H 3< S+ 0 0 69 -4,-2.0 4,-0.4 1,-0.3 -1,-0.3 0.810 103.6 51.2 -60.8 -30.5 44.5 6.9 15.6 15 16 A R T << S+ 0 0 119 -3,-1.3 -1,-0.3 -4,-1.1 -2,-0.2 0.498 110.6 48.8 -86.6 -5.1 46.6 4.7 13.3 16 17 A L T X4 S+ 0 0 0 -3,-1.5 3,-2.1 -4,-0.5 4,-0.4 0.603 87.8 86.0 -99.2 -22.7 45.0 6.4 10.2 17 18 A E G >< S+ 0 0 92 -4,-1.4 3,-1.6 1,-0.3 -2,-0.1 0.840 84.5 55.7 -49.2 -44.8 45.5 10.0 11.5 18 19 A G G 3 S+ 0 0 82 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.571 105.2 53.4 -71.6 -10.4 49.1 10.2 10.1 19 20 A M G X S+ 0 0 57 -3,-2.1 3,-2.2 2,-0.0 -1,-0.3 0.417 80.4 135.2 -94.9 -3.1 47.8 9.3 6.6 20 21 A N T < S+ 0 0 15 -3,-1.6 -3,-0.0 -4,-0.4 47,-0.0 -0.182 74.5 9.6 -57.9 139.8 45.1 12.2 6.6 21 22 A Y T 3 S+ 0 0 176 1,-0.1 -1,-0.3 3,-0.0 -3,-0.0 0.411 127.3 64.5 71.1 3.1 44.9 14.2 3.4 22 23 A H X + 0 0 103 -3,-2.2 3,-2.0 2,-0.0 -2,-0.2 0.092 53.3 122.7-140.8 23.5 47.2 11.7 1.7 23 24 A F G > + 0 0 5 1,-0.3 3,-1.5 2,-0.2 -3,-0.1 0.733 68.4 69.9 -59.6 -23.5 45.2 8.4 1.7 24 25 A D G 3 S+ 0 0 95 1,-0.3 -1,-0.3 53,-0.0 -2,-0.0 0.690 91.6 61.1 -68.4 -16.0 45.6 8.3 -2.1 25 26 A E G < S+ 0 0 131 -3,-2.0 -1,-0.3 -6,-0.2 -2,-0.2 0.422 80.4 128.2 -90.1 0.6 49.3 7.6 -1.6 26 27 A M < - 0 0 12 -3,-1.5 2,-0.8 -4,-0.1 3,-0.1 -0.149 65.5-122.6 -57.8 147.4 48.6 4.3 0.3 27 28 A D > - 0 0 109 1,-0.2 4,-1.7 2,-0.0 5,-0.2 -0.852 22.9-153.0 -87.2 108.5 50.3 1.0 -0.6 28 29 A T T 4 S+ 0 0 13 -2,-0.8 4,-0.5 1,-0.2 3,-0.2 0.868 91.9 46.5 -58.7 -40.5 47.2 -1.1 -1.2 29 30 A S T >4 S+ 0 0 91 1,-0.2 3,-1.1 2,-0.2 -1,-0.2 0.944 112.3 51.8 -64.2 -44.4 48.9 -4.4 -0.3 30 31 A G T 34 S+ 0 0 52 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.738 109.9 48.3 -63.9 -27.2 50.4 -2.9 2.9 31 32 A V T >X S+ 0 0 12 -4,-1.7 4,-1.7 -3,-0.2 3,-0.6 0.404 78.1 99.4-100.5 4.0 47.1 -1.6 4.2 32 33 A M H <> S+ 0 0 35 -3,-1.1 4,-2.4 -4,-0.5 -1,-0.2 0.896 79.2 58.1 -56.5 -42.0 45.0 -4.7 3.7 33 34 A P H 3> S+ 0 0 80 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.865 104.3 53.2 -56.9 -34.4 45.3 -5.6 7.4 34 35 A L H <> S+ 0 0 23 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.916 106.7 50.4 -64.9 -44.7 43.8 -2.2 8.3 35 36 A L H X S+ 0 0 0 -4,-1.7 4,-3.2 1,-0.2 5,-0.2 0.919 108.6 53.7 -57.7 -41.2 40.8 -2.9 6.1 36 37 A D H X S+ 0 0 79 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.900 107.2 50.9 -60.9 -41.0 40.4 -6.2 7.8 37 38 A E H X S+ 0 0 68 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.907 113.4 45.1 -60.7 -43.1 40.4 -4.5 11.2 38 39 A I H >X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 3,-0.9 0.946 113.4 49.1 -67.4 -47.1 37.7 -2.1 10.0 39 40 A E H 3X S+ 0 0 7 -4,-3.2 4,-3.0 1,-0.3 -1,-0.2 0.793 99.2 67.2 -65.7 -29.3 35.6 -4.8 8.4 40 41 A E H 3< S+ 0 0 149 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.874 112.3 34.2 -52.3 -39.4 35.8 -7.0 11.6 41 42 A I H X< S+ 0 0 11 -3,-0.9 3,-1.6 -4,-0.8 -2,-0.2 0.921 117.2 52.2 -83.0 -51.6 33.7 -4.3 13.2 42 43 A A H 3< S+ 0 0 1 -4,-2.7 184,-0.3 1,-0.3 183,-0.2 0.876 114.6 44.2 -50.0 -42.8 31.6 -3.4 10.2 43 44 A H T 3< S+ 0 0 37 -4,-3.0 2,-0.7 -5,-0.2 -1,-0.3 0.337 78.5 123.3 -91.2 5.3 30.7 -7.0 9.6 44 45 A D X - 0 0 45 -3,-1.6 3,-1.4 1,-0.2 181,-0.2 -0.561 46.0-162.8 -74.0 110.9 29.9 -7.9 13.2 45 46 A S T 3 S+ 0 0 116 -2,-0.7 -1,-0.2 1,-0.3 -4,-0.0 0.606 81.5 70.7 -74.7 -8.6 26.4 -9.3 13.1 46 47 A T T 3 S+ 0 0 105 2,-0.1 2,-0.7 464,-0.0 -1,-0.3 0.582 78.8 89.5 -81.0 -8.8 25.9 -8.8 16.9 47 48 A I S < S- 0 0 13 -3,-1.4 178,-0.3 -6,-0.2 2,-0.1 -0.799 73.3-147.9 -89.9 113.7 25.9 -5.0 16.5 48 49 A D > - 0 0 34 -2,-0.7 4,-2.4 1,-0.1 3,-0.3 -0.348 24.0-108.4 -80.7 163.3 22.3 -3.9 16.0 49 50 A F H > S+ 0 0 99 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.837 118.1 55.0 -62.6 -32.5 21.4 -0.9 13.9 50 51 A E H > S+ 0 0 75 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.889 110.3 46.5 -65.9 -39.3 20.4 1.2 16.9 51 52 A S H > S+ 0 0 4 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.910 111.9 50.3 -67.7 -43.2 23.8 0.6 18.5 52 53 A A H X S+ 0 0 1 -4,-2.4 4,-3.1 1,-0.2 5,-0.3 0.939 111.4 48.7 -60.7 -45.2 25.7 1.4 15.3 53 54 A K H X S+ 0 0 110 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.907 108.2 54.9 -60.6 -43.9 23.7 4.6 14.9 54 55 A H H < S+ 0 0 39 -4,-2.1 4,-0.4 1,-0.2 -1,-0.2 0.914 116.0 38.0 -54.0 -48.4 24.4 5.5 18.5 55 56 A I H >< S+ 0 0 0 -4,-2.2 3,-1.0 2,-0.2 -2,-0.2 0.959 119.4 44.2 -68.6 -52.2 28.2 5.2 17.9 56 57 A L H 3< S+ 0 0 9 -4,-3.1 -2,-0.2 1,-0.3 -3,-0.2 0.753 112.9 50.2 -76.1 -24.5 28.4 6.6 14.4 57 58 A D T 3< S+ 0 0 113 -4,-2.3 -1,-0.3 -5,-0.3 2,-0.2 0.531 81.8 114.8 -87.3 -9.6 26.2 9.6 15.0 58 59 A D X - 0 0 52 -3,-1.0 3,-2.0 -4,-0.4 4,-0.4 -0.458 68.7-135.5 -67.5 130.9 28.0 10.8 18.1 59 60 A A G > S+ 0 0 87 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.806 105.3 60.3 -52.5 -35.5 29.7 14.1 17.7 60 61 A E G 3 S+ 0 0 140 1,-0.3 4,-0.3 2,-0.1 -1,-0.3 0.639 102.6 53.7 -70.4 -15.8 32.8 12.8 19.4 61 62 A M G <> S+ 0 0 0 -3,-2.0 4,-2.7 -6,-0.2 5,-0.3 0.466 80.8 96.4 -93.7 -4.9 33.1 10.1 16.7 62 63 A N H <> S+ 0 0 110 -3,-1.3 4,-2.3 -4,-0.4 -1,-0.1 0.881 84.6 43.7 -57.0 -47.3 33.0 12.6 13.8 63 64 A H H > S+ 0 0 93 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.914 115.4 48.4 -66.6 -43.1 36.8 12.8 13.2 64 65 A A H > S+ 0 0 6 -4,-0.3 4,-2.4 1,-0.2 -2,-0.2 0.902 111.4 50.4 -62.3 -43.7 37.4 9.1 13.5 65 66 A L H X S+ 0 0 11 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.918 108.5 53.3 -62.6 -42.5 34.5 8.4 11.1 66 67 A S H X S+ 0 0 35 -4,-2.3 4,-2.5 -5,-0.3 -2,-0.2 0.919 109.6 47.8 -58.6 -44.9 36.0 10.9 8.6 67 68 A L H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.924 112.3 48.4 -61.4 -46.6 39.4 9.1 8.7 68 69 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.912 112.1 48.8 -63.5 -40.8 37.9 5.7 8.2 69 70 A R H X S+ 0 0 61 -4,-2.6 4,-2.6 2,-0.2 5,-0.3 0.920 110.7 50.6 -67.2 -40.5 35.7 6.8 5.3 70 71 A K H X S+ 0 0 61 -4,-2.5 4,-2.1 -5,-0.2 5,-0.2 0.928 112.2 48.0 -61.4 -42.0 38.7 8.5 3.6 71 72 A F H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.944 112.8 48.1 -61.1 -50.4 40.7 5.4 4.0 72 73 A Y H X S+ 0 0 28 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.930 113.0 45.5 -58.4 -51.2 37.9 3.1 2.6 73 74 A V H X S+ 0 0 33 -4,-2.6 4,-2.2 156,-0.2 -1,-0.2 0.908 116.0 46.7 -65.2 -39.1 37.1 5.2 -0.4 74 75 A N H X S+ 0 0 36 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.895 113.3 47.8 -70.2 -39.1 40.8 5.7 -1.4 75 76 A L H X S+ 0 0 2 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.937 112.2 50.0 -65.3 -44.5 41.6 2.0 -0.9 76 77 A G H X S+ 0 0 19 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.938 112.4 47.1 -57.7 -49.1 38.6 0.9 -3.0 77 78 A M H X S+ 0 0 86 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 113.5 47.4 -61.3 -42.2 39.5 3.3 -5.8 78 79 A K H X S+ 0 0 58 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.922 111.0 50.5 -69.3 -42.2 43.1 2.2 -5.8 79 80 A L H X S+ 0 0 22 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.903 113.2 47.5 -59.7 -39.2 42.3 -1.5 -5.8 80 81 A Q H X S+ 0 0 31 -4,-2.2 4,-2.4 -5,-0.2 -2,-0.2 0.894 112.3 48.2 -68.4 -43.4 39.9 -0.9 -8.7 81 82 A M H X S+ 0 0 65 -4,-2.4 4,-2.2 2,-0.2 5,-0.2 0.931 113.2 48.1 -61.9 -47.9 42.4 1.1 -10.7 82 83 A E H X S+ 0 0 84 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.916 113.3 47.2 -61.3 -43.8 45.1 -1.5 -10.2 83 84 A K H X S+ 0 0 15 -4,-2.2 4,-2.9 -5,-0.2 5,-0.2 0.918 108.3 54.6 -66.5 -41.8 42.8 -4.4 -11.1 84 85 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.944 111.7 45.0 -55.3 -49.9 41.5 -2.6 -14.3 85 86 A Q H X S+ 0 0 83 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.868 112.5 52.0 -63.9 -38.9 45.1 -2.1 -15.5 86 87 A E H X S+ 0 0 97 -4,-2.2 4,-1.1 -5,-0.2 -1,-0.2 0.922 109.5 49.3 -61.6 -45.3 46.0 -5.8 -14.6 87 88 A V H < S+ 0 0 1 -4,-2.9 3,-0.5 1,-0.2 -2,-0.2 0.903 109.2 51.7 -61.4 -44.0 43.0 -7.1 -16.5 88 89 A I H < S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.851 115.3 42.6 -62.0 -35.8 43.9 -5.0 -19.7 89 90 A E H < S+ 0 0 144 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.585 96.1 105.2 -87.4 -10.9 47.4 -6.4 -19.6 90 91 A S < - 0 0 31 -4,-1.1 4,-0.1 -3,-0.5 -3,-0.0 -0.424 58.7-154.7 -81.5 143.1 46.5 -10.0 -18.8 91 92 A D S S+ 0 0 163 1,-0.3 -1,-0.1 -2,-0.2 -4,-0.1 0.632 103.9 42.3 -78.7 -17.0 46.5 -13.0 -21.2 92 93 A S S > S+ 0 0 58 1,-0.1 4,-2.5 2,-0.1 -1,-0.3 -0.654 74.1 167.3-126.9 70.8 43.9 -14.5 -18.9 93 94 A P H > S+ 0 0 27 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.845 73.3 49.6 -61.9 -39.6 41.6 -11.5 -18.2 94 95 A W H > S+ 0 0 42 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.929 112.8 47.7 -67.8 -42.6 38.6 -13.4 -16.7 95 96 A E H > S+ 0 0 132 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.940 113.7 49.1 -57.2 -44.7 40.9 -15.3 -14.3 96 97 A T H >< S+ 0 0 18 -4,-2.5 3,-0.7 1,-0.2 4,-0.2 0.923 111.9 48.2 -60.5 -45.5 42.6 -12.0 -13.5 97 98 A L H >< S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 -1,-0.2 0.910 106.5 56.1 -61.2 -44.3 39.2 -10.4 -12.9 98 99 A R H 3< S+ 0 0 127 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.702 99.3 62.8 -64.8 -17.6 38.0 -13.2 -10.7 99 100 A S T << S+ 0 0 71 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.499 72.7 126.1 -84.5 -5.9 41.1 -12.7 -8.4 100 101 A F S X S- 0 0 8 -3,-1.9 3,-1.7 -4,-0.2 -20,-0.0 -0.291 71.7-122.8 -53.2 135.1 39.9 -9.2 -7.5 101 102 A Y T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.862 109.5 37.2 -55.0 -39.9 39.8 -9.0 -3.7 102 103 A F T >> S+ 0 0 22 1,-0.2 4,-1.4 2,-0.1 3,-1.0 0.401 84.3 110.6 -92.7 3.3 36.1 -8.0 -3.7 103 104 A Y H X> S+ 0 0 20 -3,-1.7 4,-1.5 1,-0.3 3,-0.5 0.869 74.9 50.5 -52.5 -51.2 34.9 -10.3 -6.6 104 105 A P H 3> S+ 0 0 83 0, 0.0 4,-1.7 0, 0.0 -1,-0.3 0.843 107.4 56.1 -56.8 -31.0 32.9 -12.8 -4.6 105 106 A R H <> S+ 0 0 24 -3,-1.0 4,-3.1 1,-0.2 -2,-0.2 0.873 102.8 54.9 -69.8 -37.7 31.0 -10.0 -2.8 106 107 A Y H S+ 0 0 13 -4,-2.6 5,-2.1 2,-0.2 4,-0.4 0.890 110.9 43.8 -61.8 -41.3 18.5 -9.3 -9.4 115 116 A A H ><5S+ 0 0 78 -4,-1.5 3,-1.0 3,-0.2 -2,-0.2 0.963 114.6 49.1 -67.4 -50.1 15.8 -10.7 -7.1 116 117 A L H 3<5S+ 0 0 33 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.854 120.7 35.4 -53.5 -43.5 14.9 -7.2 -5.7 117 118 A G T 3<5S- 0 0 2 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.351 105.2-127.2 -98.4 4.0 14.7 -5.6 -9.1 118 119 A R T < 5 - 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