==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER MOLYBDENUM COFACTOR BIOSYNTHESIS 28-NOV-02 1O8Q . COMPND 2 MOLECULE: MOLYBDOPTERIN BIOSYNTHESIS CNX1 PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR J.KUPER,J.WINKING,H.J.HECHT,G.SCHWARZ,R.R.MENDEL . 1272 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 52224.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 997 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 176 13.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 5.7 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 . 8 0.6 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 . 89 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 137 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 445 35.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 32 2.5 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 8 0 0 0 8 2 6 0 0 8 8 0 0 0 0 3 5 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 16 0 0 8 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 . 4 8 0 8 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 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 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 5 A E 0 0 171 0, 0.0 2,-0.5 0, 0.0 39,-0.2 0.000 360.0 360.0 360.0 -46.5 -35.5 121.8 -1.9 2 6 A Y E -a 40 0A 20 37,-1.6 39,-2.2 32,-0.1 2,-0.8 -0.944 360.0-139.9 -99.6 127.6 -33.5 121.5 1.4 3 7 A K E -a 41 0A 92 -2,-0.5 66,-2.3 37,-0.2 67,-1.9 -0.784 21.4-170.4 -90.3 111.9 -32.8 125.0 2.8 4 8 A V E -ab 42 70A 0 37,-2.7 39,-3.0 -2,-0.8 40,-0.8 -0.809 4.9-171.5-100.0 138.1 -29.3 125.1 4.3 5 9 A A E -ab 44 71A 0 65,-2.6 67,-2.3 -2,-0.4 2,-0.5 -0.995 8.8-152.3-127.4 141.9 -28.0 128.0 6.3 6 10 A I E -ab 45 72A 1 38,-2.2 40,-1.6 -2,-0.4 2,-0.6 -0.941 4.9-163.8-121.2 117.6 -24.4 128.5 7.5 7 11 A L E -ab 46 73A 0 65,-2.7 67,-2.4 -2,-0.5 2,-0.6 -0.877 5.7-156.2-102.4 121.9 -23.4 130.4 10.6 8 12 A T E -ab 47 74A 8 38,-3.0 40,-2.5 -2,-0.6 2,-0.6 -0.866 6.7-159.1 -95.7 125.8 -19.8 131.6 11.0 9 13 A V E +a 48 0A 6 65,-3.2 2,-0.2 -2,-0.6 67,-0.1 -0.931 35.3 128.7-108.6 115.8 -18.9 132.1 14.6 10 14 A S > - 0 0 27 38,-3.0 4,-2.8 -2,-0.6 5,-0.2 -0.768 48.5-153.4-171.2 115.9 -15.8 134.4 15.0 11 15 A D H > S+ 0 0 46 -2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.919 103.1 51.5 -50.9 -48.3 -15.0 137.5 17.0 12 16 A T H 4>S+ 0 0 80 2,-0.2 5,-1.6 1,-0.2 6,-0.8 0.909 113.8 40.4 -58.9 -51.9 -12.4 138.5 14.3 13 17 A V H >45S+ 0 0 22 4,-0.2 3,-1.4 1,-0.2 1154,-0.2 0.921 114.2 53.5 -67.1 -42.8 -14.7 138.2 11.4 14 18 A S H 3<5S+ 0 0 46 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.873 107.3 51.5 -61.7 -35.8 -17.7 139.7 13.2 15 19 A A T 3<5S- 0 0 78 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.571 114.4-116.1 -77.5 -8.2 -15.6 142.8 14.1 16 20 A G T < 5S+ 0 0 32 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.513 84.3 121.3 81.8 7.1 -14.5 143.3 10.4 17 21 A A S S+ 0 0 114 -2,-0.8 4,-0.6 1143,-0.2 -1,-0.2 0.662 75.3 46.7 -94.1 -17.5 -12.2 131.9 4.9 22 26 A S H > S+ 0 0 11 2,-0.1 4,-2.6 -3,-0.1 5,-0.2 0.877 98.6 65.5 -95.1 -43.0 -14.5 129.0 6.1 23 27 A G H > S+ 0 0 5 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.914 103.9 45.1 -38.8 -64.8 -17.9 130.3 5.2 24 28 A P H > S+ 0 0 2 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.866 112.4 52.8 -58.3 -38.3 -17.3 130.2 1.4 25 29 A R H X S+ 0 0 39 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.933 110.3 47.6 -58.1 -49.7 -15.7 126.8 1.6 26 30 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.923 110.7 51.6 -59.7 -45.1 -18.7 125.4 3.5 27 31 A V H X S+ 0 0 3 -4,-2.6 4,-2.7 1,-0.2 15,-0.2 0.931 112.0 47.3 -58.1 -43.0 -21.2 127.0 1.0 28 32 A S H X S+ 0 0 22 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.882 110.1 51.4 -74.3 -33.8 -19.3 125.4 -1.8 29 33 A V H < S+ 0 0 23 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.938 113.2 44.9 -61.5 -48.6 -19.1 121.9 -0.1 30 34 A V H >< S+ 0 0 0 -4,-2.7 3,-2.2 1,-0.2 4,-0.5 0.981 113.1 53.0 -56.3 -53.9 -22.9 121.9 0.5 31 35 A D H >< S+ 0 0 34 -4,-2.7 3,-0.8 1,-0.3 -2,-0.2 0.842 110.8 43.9 -50.5 -44.9 -23.5 123.2 -3.0 32 36 A S T 3< S+ 0 0 94 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.376 111.9 54.6 -88.2 7.3 -21.4 120.4 -4.6 33 37 A S T <> S+ 0 0 15 -3,-2.2 4,-1.9 -4,-0.3 -1,-0.2 0.351 77.0 110.4-109.2 0.9 -23.0 117.8 -2.3 34 38 A S T <4>S+ 0 0 37 -3,-0.8 5,-3.8 -4,-0.5 -2,-0.1 0.809 76.1 45.7 -47.2 -50.0 -26.5 118.9 -3.4 35 39 A E T >45S+ 0 0 182 3,-0.2 3,-2.4 1,-0.2 -1,-0.2 0.971 114.2 48.7 -58.0 -55.1 -27.4 115.8 -5.4 36 40 A K T 345S+ 0 0 142 1,-0.3 116,-0.3 -4,-0.2 -2,-0.2 0.738 110.4 52.4 -59.8 -27.3 -26.1 113.5 -2.7 37 41 A L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -7,-0.2 -2,-0.2 0.274 123.5-105.1 -89.3 7.2 -28.1 115.5 -0.1 38 42 A G T < 5S- 0 0 29 -3,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.761 84.6 -33.6 72.5 29.7 -31.3 115.1 -2.2 39 43 A G S - 0 0 88 -2,-2.0 4,-2.1 1,-0.1 3,-0.2 -0.996 62.1-139.7-138.1 129.0 -21.0 135.2 22.4 52 56 A V H > S+ 0 0 49 -2,-0.4 4,-3.5 1,-0.2 5,-0.2 0.859 101.3 52.9 -60.2 -41.3 -23.7 132.7 23.4 53 57 A E H > S+ 0 0 106 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.925 110.2 48.3 -59.9 -45.0 -26.7 135.2 23.1 54 58 A R H > S+ 0 0 78 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.904 115.4 45.3 -61.8 -41.9 -25.7 136.1 19.6 55 59 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.957 113.5 47.9 -68.0 -52.6 -25.3 132.5 18.6 56 60 A K H X S+ 0 0 27 -4,-3.5 4,-2.9 1,-0.2 5,-0.2 0.905 107.9 56.4 -51.2 -47.4 -28.6 131.3 20.3 57 61 A D H X S+ 0 0 83 -4,-2.6 4,-3.1 -5,-0.2 -1,-0.2 0.911 110.2 44.0 -56.6 -46.2 -30.6 134.2 18.7 58 62 A I H X S+ 0 0 22 -4,-1.5 4,-3.4 2,-0.2 5,-0.3 0.912 112.9 50.3 -67.3 -45.2 -29.6 133.2 15.2 59 63 A L H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 5,-0.2 0.903 114.8 45.9 -59.2 -40.4 -30.2 129.5 15.8 60 64 A Q H X>S+ 0 0 67 -4,-2.9 4,-3.9 -5,-0.2 5,-0.6 0.972 114.7 47.0 -64.4 -53.8 -33.6 130.3 17.2 61 65 A K H X>S+ 0 0 72 -4,-3.1 5,-2.2 1,-0.2 4,-1.7 0.922 114.4 45.5 -53.6 -50.8 -34.4 132.7 14.4 62 66 A W H <5S+ 0 0 1 -4,-3.4 6,-2.7 3,-0.2 -1,-0.2 0.786 121.9 38.3 -70.1 -27.8 -33.3 130.3 11.6 63 67 A S H <5S+ 0 0 9 -4,-1.6 64,-0.3 -5,-0.3 -2,-0.2 0.908 127.1 30.6 -83.6 -49.9 -35.1 127.4 13.1 64 68 A D H <5S+ 0 0 84 -4,-3.9 -3,-0.2 -5,-0.2 -2,-0.2 0.909 133.7 21.7 -83.1 -44.9 -38.3 129.0 14.5 65 69 A V T < S- 0 0 47 1,-0.1 3,-1.0 2,-0.0 398,-0.2 -0.241 76.8-118.2 -49.2 139.4 -10.2 128.4 24.1 81 85 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.1 0, 0.0 397,-0.1 0.747 114.3 54.1 -62.7 -22.7 -12.2 130.3 26.7 82 86 A R T 3 S+ 0 0 113 1,-0.1 2,-1.1 -31,-0.0 -2,-0.0 0.752 79.4 104.3 -80.3 -22.7 -14.1 132.2 24.0 83 87 A D < + 0 0 25 -3,-1.0 4,-0.1 1,-0.2 -6,-0.1 -0.418 36.1 142.3 -62.1 96.5 -15.1 129.0 22.2 84 88 A V > + 0 0 27 -2,-1.1 4,-2.1 2,-0.1 5,-0.2 0.214 25.9 110.7-123.5 13.1 -18.8 128.9 23.3 85 89 A T H > S+ 0 0 0 -9,-1.9 4,-2.8 1,-0.2 5,-0.2 0.916 79.8 48.4 -58.9 -48.2 -20.6 127.5 20.2 86 90 A P H > S+ 0 0 0 0, 0.0 4,-3.2 0, 0.0 -1,-0.2 0.900 110.4 52.1 -61.8 -40.0 -21.5 124.1 21.7 87 91 A E H > S+ 0 0 34 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.919 112.7 45.2 -63.5 -40.1 -22.9 125.7 24.9 88 92 A A H X S+ 0 0 0 -4,-2.1 4,-0.9 1,-0.2 3,-0.4 0.926 114.6 49.0 -65.6 -43.1 -25.0 128.0 22.8 89 93 A T H >X S+ 0 0 0 -4,-2.8 4,-1.8 1,-0.2 3,-0.9 0.900 105.7 56.3 -64.3 -43.0 -26.1 125.1 20.6 90 94 A K H 3< S+ 0 0 70 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.789 102.7 57.1 -61.1 -30.1 -27.0 122.9 23.6 91 95 A K H 3< S+ 0 0 150 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.787 113.7 38.0 -69.5 -28.5 -29.4 125.5 24.9 92 96 A V H << S+ 0 0 1 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.662 93.8 92.6-102.9 -19.3 -31.5 125.6 21.7 93 97 A I < - 0 0 27 -4,-1.8 32,-0.2 1,-0.1 3,-0.1 -0.455 46.8-170.9 -79.0 153.8 -31.6 122.0 20.6 94 98 A E S S+ 0 0 113 30,-2.7 2,-0.5 1,-0.3 31,-0.2 0.734 74.4 33.1-109.6 -37.5 -34.5 119.7 21.6 95 99 A R E S-E 124 0A 20 29,-2.0 29,-2.8 144,-0.0 -1,-0.3 -0.968 79.7-135.6-129.7 114.5 -33.4 116.3 20.4 96 100 A E E -E 123 0A 96 -2,-0.5 27,-0.3 27,-0.2 3,-0.1 -0.328 6.9-158.5 -67.4 152.0 -29.7 115.3 20.5 97 101 A T >> + 0 0 0 25,-1.1 3,-1.2 1,-0.1 4,-1.0 -0.585 21.0 167.2-126.6 68.9 -28.3 113.5 17.5 98 102 A P H 3> + 0 0 46 0, 0.0 4,-2.5 0, 0.0 181,-0.1 0.671 67.9 66.9 -62.8 -21.7 -25.2 111.9 19.0 99 103 A G H 3> S+ 0 0 0 179,-0.6 4,-2.4 177,-0.3 178,-0.2 0.868 98.0 53.2 -68.3 -35.8 -24.5 109.5 16.1 100 104 A L H <> S+ 0 0 0 -3,-1.2 4,-2.2 176,-0.3 -1,-0.2 0.905 111.9 46.5 -61.4 -39.1 -23.7 112.5 13.9 101 105 A L H X S+ 0 0 46 -4,-1.0 4,-2.4 1,-0.2 5,-0.2 0.905 110.1 52.5 -71.9 -39.1 -21.2 113.6 16.5 102 106 A F H X S+ 0 0 17 -4,-2.5 4,-2.9 1,-0.2 -1,-0.2 0.919 111.1 47.2 -60.4 -44.7 -19.8 110.1 16.8 103 107 A V H X S+ 0 0 6 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.931 111.5 48.8 -66.5 -46.6 -19.2 109.9 13.1 104 108 A M H X S+ 0 0 12 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.911 115.6 44.9 -59.5 -44.3 -17.5 113.3 12.8 105 109 A M H X S+ 0 0 20 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.939 112.6 51.1 -63.7 -47.8 -15.2 112.5 15.7 106 110 A Q H X S+ 0 0 32 -4,-2.9 4,-0.5 -5,-0.2 -2,-0.2 0.923 115.8 40.8 -57.4 -47.4 -14.4 109.0 14.4 107 111 A E H >X S+ 0 0 66 -4,-2.8 3,-1.4 1,-0.2 4,-0.6 0.935 113.2 52.5 -70.2 -44.4 -13.5 110.2 11.0 108 112 A A H >X S+ 0 0 33 -4,-2.6 4,-2.0 -5,-0.3 3,-1.1 0.846 103.7 58.7 -58.6 -36.0 -11.6 113.3 12.1 109 113 A L H 3< S+ 0 0 31 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.671 95.4 64.3 -69.9 -17.9 -9.4 111.2 14.4 110 114 A K H << S+ 0 0 141 -3,-1.4 -1,-0.3 -4,-0.5 -2,-0.2 0.750 108.8 40.5 -74.0 -21.6 -8.3 109.2 11.5 111 115 A I H << S- 0 0 111 -3,-1.1 -2,-0.2 -4,-0.6 -1,-0.1 0.897 133.6 -10.2 -92.0 -45.9 -6.6 112.3 10.1 112 116 A T >< - 0 0 50 -4,-2.0 3,-1.3 1,-0.1 -1,-0.3 -0.990 50.9-130.4-154.2 142.3 -5.2 113.7 13.3 113 117 A P G > S+ 0 0 53 0, 0.0 3,-1.9 0, 0.0 357,-0.1 0.690 100.9 79.5 -64.8 -17.2 -5.4 113.1 17.1 114 118 A F G > S+ 0 0 102 1,-0.3 3,-2.2 2,-0.2 -5,-0.1 0.685 71.4 84.1 -65.2 -14.0 -6.1 116.9 17.5 115 119 A A G X S+ 0 0 12 -3,-1.3 3,-2.0 1,-0.3 -1,-0.3 0.773 73.6 72.2 -53.8 -31.3 -9.6 116.0 16.5 116 120 A M G < S+ 0 0 3 -3,-1.9 304,-0.3 1,-0.3 303,-0.3 0.609 84.2 68.6 -65.1 -11.9 -10.3 115.1 20.1 117 121 A L G < S+ 0 0 9 -3,-2.2 2,-0.4 302,-0.2 -1,-0.3 0.443 74.8 105.4 -86.8 1.1 -10.2 118.8 20.9 118 122 A S < - 0 0 25 -3,-2.0 301,-0.6 1,-0.1 -40,-0.2 -0.682 46.5-175.8 -79.0 133.5 -13.4 119.4 19.0 119 123 A R + 0 0 0 -42,-2.1 -1,-0.1 -2,-0.4 297,-0.1 0.001 24.5 161.6-115.4 27.5 -16.3 119.9 21.4 120 124 A S - 0 0 10 -19,-0.1 2,-0.3 12,-0.1 -15,-0.1 -0.085 21.0-162.0 -55.2 144.0 -19.1 120.0 18.7 121 125 A A - 0 0 6 12,-0.0 11,-2.6 2,-0.0 2,-0.3 -0.769 8.4-177.9-113.0 168.4 -22.7 119.5 19.6 122 126 A A E + F 0 131A 4 -2,-0.3 -25,-1.1 9,-0.2 2,-0.3 -0.966 14.0 131.0-161.3 155.5 -25.6 118.7 17.2 123 127 A G E -EF 96 130A 0 7,-2.3 7,-3.2 -2,-0.3 2,-0.4 -0.949 47.5 -82.6 169.8 172.7 -29.3 118.2 17.5 124 128 A I E -EF 95 129A 0 -29,-2.8 -30,-2.7 -2,-0.3 -29,-2.0 -0.823 26.6-172.4-101.5 134.3 -32.8 118.9 16.1 125 129 A R E > S- F 0 128A 35 3,-3.0 3,-3.7 -2,-0.4 2,-0.2 -1.000 70.8 -41.4-121.8 128.4 -34.8 122.0 17.0 126 130 A G T 3 S- 0 0 45 -2,-0.4 -62,-0.1 1,-0.3 -2,-0.0 -0.375 126.4 -31.0 54.3-115.1 -38.4 121.9 15.7 127 131 A S T 3 S+ 0 0 56 -64,-0.3 2,-0.5 -2,-0.2 -1,-0.3 0.066 117.8 105.7-114.8 28.4 -37.7 120.5 12.2 128 132 A T E < - 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0 0 88 -2,-2.0 4,-2.1 1,-0.1 3,-0.2 -0.998 62.1-139.6-135.0 130.5 -45.5 109.7 23.6 212 56 B V H > S+ 0 0 48 -2,-0.4 4,-3.5 1,-0.2 5,-0.2 0.875 101.4 52.4 -60.1 -42.2 -43.0 110.8 26.3 213 57 B E H > S+ 0 0 107 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.907 110.0 48.8 -60.8 -43.5 -45.4 110.5 29.3 214 58 B R H > S+ 0 0 110 -3,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.894 115.2 45.4 -62.2 -39.9 -46.4 106.9 28.3 215 59 B I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.958 113.3 48.4 -69.7 -50.2 -42.7 106.0 27.9 216 60 B K H X S+ 0 0 27 -4,-3.5 4,-2.8 1,-0.2 5,-0.2 0.896 107.7 55.6 -54.0 -46.0 -41.6 107.6 31.2 217 61 B D H X S+ 0 0 84 -4,-2.4 4,-3.0 -5,-0.2 -1,-0.2 0.910 110.2 44.6 -58.9 -44.6 -44.5 106.0 33.2 218 62 B I H X S+ 0 0 31 -4,-1.4 4,-3.4 2,-0.2 5,-0.3 0.920 113.1 49.5 -67.4 -45.4 -43.5 102.5 32.2 219 63 B L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.902 114.4 46.7 -60.5 -40.5 -39.8 103.0 32.8 220 64 B Q H X>S+ 0 0 66 -4,-2.8 4,-3.7 -5,-0.2 5,-0.5 0.958 114.6 46.6 -65.0 -49.4 -40.6 104.5 36.2 221 65 B K H X>S+ 0 0 102 -4,-3.0 5,-2.2 1,-0.2 4,-2.0 0.934 113.9 46.6 -59.3 -49.3 -42.9 101.7 37.0 222 66 B W H <5S+ 0 0 11 -4,-3.4 6,-2.8 3,-0.2 -1,-0.2 0.815 121.5 37.7 -68.3 -30.6 -40.6 98.9 35.9 223 67 B S H <5S+ 0 0 8 -4,-1.8 64,-0.3 -5,-0.3 -2,-0.2 0.917 127.2 31.0 -81.3 -50.0 -37.6 100.4 37.7 224 68 B D H <5S+ 0 0 86 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.2 0.868 133.7 21.6 -84.5 -38.8 -39.3 101.7 40.9 225 69 B V T < S- 0 0 47 1,-0.1 3,-1.1 2,-0.1 -82,-0.2 -0.247 77.3-118.6 -46.1 139.3 -38.7 111.4 12.7 241 85 B P T 3 S+ 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -83,-0.1 0.737 114.0 54.3 -63.4 -23.1 -40.6 114.0 14.8 242 86 B R T 3 S+ 0 0 114 1,-0.0 2,-1.1 -31,-0.0 -2,-0.1 0.727 79.0 104.8 -80.8 -21.1 -42.5 111.3 16.7 243 87 B D < + 0 0 25 -3,-1.1 4,-0.1 1,-0.2 -6,-0.1 -0.432 36.1 142.2 -63.7 97.3 -39.2 109.5 17.7 244 88 B V > + 0 0 27 -2,-1.1 4,-2.3 2,-0.1 5,-0.2 0.246 26.0 110.2-122.9 9.2 -39.1 110.6 21.4 245 89 B T H > S+ 0 0 0 -9,-1.7 4,-3.0 1,-0.2 5,-0.2 0.920 79.9 48.8 -56.0 -47.6 -37.8 107.5 23.2 246 90 B P H > S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 -1,-0.2 0.916 110.4 51.7 -62.5 -41.5 -34.4 109.0 24.1 247 91 B E H > S+ 0 0 33 1,-0.2 4,-1.4 2,-0.2 -2,-0.2 0.925 113.0 45.0 -60.9 -43.4 -35.9 112.2 25.5 248 92 B A H X S+ 0 0 0 -4,-2.3 4,-0.8 1,-0.2 3,-0.3 0.950 114.2 50.1 -61.8 -44.0 -38.3 110.1 27.7 249 93 B T H >X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 3,-0.9 0.886 105.7 55.3 -63.0 -42.8 -35.4 107.9 28.7 250 94 B K H 3< S+ 0 0 70 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.821 102.8 57.4 -60.4 -33.9 -33.1 110.9 29.6 251 95 B K H 3< S+ 0 0 151 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.801 113.7 37.8 -67.2 -28.6 -35.8 112.2 32.0 252 96 B V H << S+ 0 0 1 -3,-0.9 -2,-0.2 -4,-0.8 -1,-0.2 0.690 93.6 91.5-103.5 -20.0 -35.8 109.0 34.0 253 97 B I < - 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0 0 28 38,-3.0 4,-2.8 -2,-0.6 5,-0.2 -0.743 49.1-152.4-173.6 116.1 -12.7 105.7 47.2 331 15 C D H > S+ 0 0 47 -2,-0.2 4,-2.2 1,-0.2 6,-0.3 0.927 103.5 52.4 -52.4 -50.0 -14.7 104.9 50.4 332 16 C T H 4>S+ 0 0 80 2,-0.2 5,-1.6 1,-0.2 6,-0.7 0.911 113.7 40.2 -53.0 -54.4 -12.1 102.3 51.4 333 17 C V H >45S+ 0 0 26 1,-0.2 3,-1.3 4,-0.2 5,-0.2 0.923 114.3 52.9 -68.1 -41.8 -9.1 104.6 51.0 334 18 C S H 3<5S+ 0 0 47 -4,-2.8 -1,-0.2 34,-0.3 -2,-0.2 0.850 107.5 51.9 -62.9 -34.4 -10.9 107.6 52.6 335 19 C A T 3<5S- 0 0 80 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.552 114.4-115.9 -77.7 -7.7 -11.8 105.5 55.7 336 20 C G T < 5S+ 0 0 65 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.501 83.7 122.6 82.5 6.1 -8.2 104.4 56.2 337 21 C A S S+ 0 0 158 -2,-0.8 4,-0.6 2,-0.1 -1,-0.2 0.653 75.1 46.2 -94.7 -18.1 -2.6 102.0 44.8 342 26 C S H > S+ 0 0 12 2,-0.1 4,-2.7 -3,-0.1 5,-0.2 0.866 98.6 65.9 -94.9 -40.9 -3.8 104.2 42.0 343 27 C G H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.926 103.6 44.9 -40.3 -65.3 -2.9 107.7 43.2 344 28 C P H > S+ 0 0 72 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.858 112.4 53.3 -58.0 -38.6 0.9 107.1 43.2 345 29 C R H X S+ 0 0 112 -4,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.931 110.1 47.5 -57.7 -48.6 0.7 105.4 39.7 346 30 C A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.3 0.925 110.6 51.8 -59.4 -45.3 -1.1 108.4 38.3 347 31 C V H X S+ 0 0 44 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.950 112.1 46.7 -57.4 -45.9 1.4 110.8 39.9 348 32 C S H X S+ 0 0 70 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.870 110.4 51.4 -70.6 -35.4 4.2 108.9 38.3 349 33 C V H < S+ 0 0 23 -4,-2.6 4,-0.3 2,-0.2 -1,-0.2 0.918 113.4 44.8 -61.5 -48.3 2.5 108.8 34.8 350 34 C V H >< S+ 0 0 0 -4,-2.7 3,-2.1 1,-0.2 4,-0.5 0.979 113.0 53.0 -57.3 -53.0 1.9 112.5 34.8 351 35 C D H >< S+ 0 0 90 -4,-2.8 3,-1.0 1,-0.3 4,-0.2 0.866 111.1 43.5 -51.9 -46.4 5.4 113.1 36.0 352 36 C S T 3< S+ 0 0 102 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.384 112.0 55.1 -85.4 5.3 7.1 111.0 33.3 353 37 C S T <> S+ 0 0 15 -3,-2.1 4,-1.9 -4,-0.3 -1,-0.2 0.352 77.0 109.4-107.6 0.3 4.8 112.6 30.7 354 38 C S T <4>S+ 0 0 37 -3,-1.0 5,-3.6 -4,-0.5 -2,-0.1 0.820 76.3 46.2 -47.0 -50.7 5.9 116.1 31.7 355 39 C E T >45S+ 0 0 180 1,-0.2 3,-2.3 3,-0.2 -1,-0.2 0.967 114.2 48.4 -58.1 -54.1 7.9 116.9 28.6 356 40 C K T 345S+ 0 0 142 1,-0.3 116,-0.3 -4,-0.2 -1,-0.2 0.734 110.5 52.6 -59.8 -27.1 5.2 115.6 26.3 357 41 C L T 3<5S- 0 0 0 -4,-1.9 -1,-0.3 -7,-0.2 -2,-0.2 0.300 123.5-104.5 -89.4 5.7 2.6 117.7 28.3 358 42 C G T < 5S- 0 0 28 -3,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.763 84.7 -34.2 76.1 28.5 4.7 120.9 27.9 359 43 C G S - 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