==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER BIOSYNTHETIC PROTEIN 29-AUG-02 1MKZ . COMPND 2 MOLECULE: MOLYBDENUM COFACTOR BIOSYNTHESIS PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SANISHVILI,T.SKARINA,A.JOACHIMIAK,A.EDWARDS,A.SAVCHENKO, . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15936.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 244 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 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 . 2 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 . 27 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 101 29.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.4 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 4 0 0 0 0 2 0 1 3 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 4 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 PARALLEL BRIDGES PER LADDER . 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A Q 0 0 179 0, 0.0 2,-0.5 0, 0.0 160,-0.4 0.000 360.0 360.0 360.0 -83.1 13.4 35.0 53.0 2 4 A V - 0 0 21 158,-0.1 154,-0.2 161,-0.1 2,-0.1 -0.960 360.0-146.6-120.5 117.1 12.2 33.6 56.4 3 5 A S - 0 0 29 152,-2.1 4,-0.0 -2,-0.5 160,-0.0 -0.411 15.7-141.6 -75.8 146.8 8.5 32.5 56.9 4 6 A T S S+ 0 0 123 -2,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.664 88.7 50.2 -74.6 -17.1 6.6 32.8 60.1 5 7 A E S S- 0 0 128 150,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.901 88.1-106.1-127.6 150.2 5.0 29.5 59.1 6 8 A F - 0 0 56 -2,-0.3 148,-0.1 149,-0.1 -2,-0.1 -0.495 32.8-162.2 -67.7 139.4 5.9 26.0 57.9 7 9 A I - 0 0 59 146,-0.2 148,-0.2 -2,-0.2 33,-0.0 -0.972 19.2-124.4-129.3 109.3 5.1 25.5 54.3 8 10 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 32,-0.2 -0.258 24.4-149.4 -53.0 138.8 4.8 22.0 53.0 9 11 A T - 0 0 0 144,-0.0 32,-2.7 60,-0.0 2,-0.6 -0.797 16.3-116.8-105.7 157.6 7.1 21.2 50.1 10 12 A R E -a 41 0A 64 -2,-0.3 59,-2.1 57,-0.2 60,-1.6 -0.874 38.6-173.2 -98.9 117.5 6.4 18.6 47.3 11 13 A I E -ab 42 70A 0 30,-3.0 32,-2.0 -2,-0.6 33,-1.0 -0.874 17.6-162.2-119.2 138.5 9.0 15.8 47.4 12 14 A A E -ab 44 71A 0 58,-2.5 60,-2.8 -2,-0.3 2,-0.5 -0.945 15.2-151.2-114.5 140.5 9.7 12.9 45.1 13 15 A I E -ab 45 72A 0 31,-1.9 33,-2.3 -2,-0.4 2,-0.5 -0.955 9.5-169.9-120.4 126.6 11.8 10.0 46.4 14 16 A L E -ab 46 73A 0 58,-3.4 60,-2.4 -2,-0.5 2,-0.5 -0.959 5.6-161.5-113.0 125.3 14.1 7.8 44.3 15 17 A T E -ab 47 74A 4 31,-2.3 33,-2.5 -2,-0.5 2,-0.7 -0.922 7.6-155.0-100.0 135.0 15.7 4.6 45.6 16 18 A V E +a 48 0A 7 58,-2.7 2,-0.3 -2,-0.5 60,-0.2 -0.931 36.9 137.2-111.2 107.9 18.6 3.3 43.5 17 19 A S - 0 0 17 31,-2.8 -2,-0.1 -2,-0.7 58,-0.0 -0.959 48.2-152.1-155.0 133.9 19.0 -0.4 44.0 18 20 A N S S+ 0 0 69 -2,-0.3 31,-0.1 31,-0.2 -1,-0.1 0.764 100.8 17.5 -69.6 -27.0 19.6 -3.5 41.8 19 21 A R S S+ 0 0 231 2,-0.1 2,-0.2 30,-0.0 -1,-0.1 0.694 96.8 95.5-123.2 -30.6 17.7 -5.9 44.2 20 22 A R - 0 0 77 4,-0.1 2,-0.2 3,-0.1 -3,-0.1 -0.486 45.3-175.6 -75.1 135.0 15.4 -4.1 46.6 21 23 A G > - 0 0 33 -2,-0.2 3,-1.1 26,-0.0 -2,-0.1 -0.565 52.3 -77.2-108.9-170.6 11.8 -3.7 45.7 22 24 A E G > S+ 0 0 83 1,-0.2 3,-1.6 -2,-0.2 7,-0.1 0.863 123.6 70.0 -56.8 -33.3 9.3 -1.8 47.7 23 25 A E G 3 S+ 0 0 169 1,-0.3 -1,-0.2 2,-0.0 -3,-0.1 0.841 115.3 21.0 -56.6 -38.0 9.0 -4.6 50.3 24 26 A D G < S+ 0 0 59 -3,-1.1 2,-1.8 1,-0.1 -1,-0.3 -0.091 80.6 128.8-125.2 33.7 12.5 -4.0 51.7 25 27 A D <> + 0 0 1 -3,-1.6 4,-2.7 1,-0.2 5,-0.3 -0.520 27.4 165.5 -86.1 72.0 13.2 -0.5 50.6 26 28 A T H > S+ 0 0 83 -2,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.883 70.1 44.4 -60.9 -41.0 14.2 0.5 54.1 27 29 A S H > S+ 0 0 8 -3,-0.2 4,-2.5 2,-0.2 5,-0.2 0.923 113.5 49.3 -76.6 -39.4 15.8 3.8 53.3 28 30 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.938 112.3 49.2 -60.6 -43.3 13.1 4.9 50.9 29 31 A H H X S+ 0 0 46 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.905 109.5 52.4 -60.0 -41.7 10.5 4.1 53.5 30 32 A Y H X S+ 0 0 31 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.934 112.0 45.7 -59.0 -47.1 12.4 6.1 56.1 31 33 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.903 114.5 46.8 -67.3 -42.7 12.6 9.1 53.9 32 34 A R H X S+ 0 0 62 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.962 115.6 45.4 -62.8 -49.9 9.0 9.0 52.9 33 35 A D H X S+ 0 0 64 -4,-2.8 4,-2.6 -5,-0.2 -2,-0.2 0.901 114.7 48.2 -59.8 -40.9 7.8 8.5 56.5 34 36 A S H X S+ 0 0 12 -4,-2.6 4,-1.8 -5,-0.3 -1,-0.2 0.914 112.6 48.3 -69.9 -40.9 10.1 11.2 57.8 35 37 A A H <>S+ 0 0 0 -4,-2.4 5,-2.3 -5,-0.2 4,-0.4 0.933 115.2 44.3 -63.8 -49.3 9.0 13.7 55.1 36 38 A Q H ><5S+ 0 0 100 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.926 111.0 54.0 -61.7 -45.5 5.2 13.0 55.7 37 39 A E H 3<5S+ 0 0 166 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.894 106.7 52.7 -57.1 -38.2 5.7 13.1 59.5 38 40 A A T 3<5S- 0 0 43 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.525 125.6-103.6 -75.7 -9.5 7.3 16.6 59.1 39 41 A G T < 5S+ 0 0 31 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.511 77.0 132.6 100.4 5.4 4.3 17.7 57.1 40 42 A H < - 0 0 8 -5,-2.3 2,-0.6 -6,-0.2 -1,-0.3 -0.290 57.0-117.0 -79.5 170.7 5.7 17.6 53.6 41 43 A H E -a 10 0A 103 -32,-2.7 -30,-3.0 -2,-0.1 2,-0.9 -0.964 13.1-152.4-116.4 115.6 3.9 16.0 50.6 42 44 A V E +a 11 0A 36 -2,-0.6 -30,-0.2 -32,-0.2 3,-0.1 -0.821 20.5 175.9 -90.0 102.3 5.6 13.0 49.0 43 45 A V E + 0 0 55 -32,-2.0 2,-0.3 -2,-0.9 -31,-0.2 0.643 60.4 8.0 -89.2 -18.8 4.1 13.4 45.5 44 46 A D E -a 12 0A 71 -33,-1.0 -31,-1.9 -3,-0.1 2,-0.3 -0.990 56.5-173.2-160.1 159.0 5.9 10.6 43.8 45 47 A K E +a 13 0A 41 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.957 10.5 169.6-154.4 139.9 8.2 7.7 44.6 46 48 A A E -a 14 0A 18 -33,-2.3 -31,-2.3 -2,-0.3 2,-0.4 -0.977 23.1-145.2-148.9 158.5 10.2 5.2 42.4 47 49 A I E +a 15 0A 47 -2,-0.3 2,-0.3 -33,-0.2 -31,-0.2 -0.990 25.1 176.5-122.7 130.7 12.8 2.5 42.6 48 50 A V E -a 16 0A 23 -33,-2.5 -31,-2.8 -2,-0.4 -2,-0.0 -0.908 29.5-104.6-130.1 161.3 15.3 2.1 39.7 49 51 A K - 0 0 131 -2,-0.3 2,-2.1 -33,-0.2 -31,-0.2 -0.196 50.8 -82.9 -76.9 173.3 18.3 -0.1 39.1 50 52 A E S S+ 0 0 61 -34,-0.1 2,-0.4 4,-0.1 -1,-0.1 -0.565 88.4 125.1 -80.1 72.5 21.9 1.1 39.3 51 53 A N > - 0 0 60 -2,-2.1 4,-1.9 1,-0.1 5,-0.2 -0.989 60.0-144.0-138.7 124.0 21.7 2.4 35.8 52 54 A R H > S+ 0 0 69 -2,-0.4 4,-2.5 1,-0.2 5,-0.1 0.831 100.2 51.3 -63.6 -31.5 22.6 5.9 34.8 53 55 A Y H > S+ 0 0 33 2,-0.2 4,-2.2 1,-0.2 182,-0.2 0.872 107.9 50.7 -73.4 -40.6 19.8 6.1 32.1 54 56 A A H > S+ 0 0 25 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.916 113.2 46.9 -59.0 -43.9 17.1 4.9 34.4 55 57 A I H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.4 0.950 112.8 48.7 -63.6 -50.3 18.1 7.5 37.0 56 58 A R H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.870 109.9 52.8 -59.6 -35.9 18.3 10.3 34.4 57 59 A A H X S+ 0 0 21 -4,-2.2 4,-1.5 174,-0.2 -1,-0.2 0.952 114.7 39.0 -64.9 -50.8 14.9 9.4 33.0 58 60 A Q H X S+ 0 0 51 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.936 119.5 45.5 -69.4 -44.8 13.1 9.5 36.3 59 61 A V H X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.917 110.6 54.1 -68.3 -35.2 14.9 12.6 37.7 60 62 A S H X S+ 0 0 3 -4,-2.3 4,-2.0 -5,-0.4 168,-0.3 0.865 106.5 53.1 -66.0 -37.4 14.6 14.5 34.4 61 63 A A H X S+ 0 0 43 -4,-1.5 4,-1.2 -5,-0.2 -1,-0.2 0.951 112.4 43.6 -61.9 -45.8 10.8 13.9 34.5 62 64 A W H < S+ 0 0 9 -4,-1.8 6,-0.3 2,-0.2 3,-0.2 0.892 110.6 55.1 -69.4 -37.4 10.6 15.4 38.0 63 65 A I H < S+ 0 0 6 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.934 113.5 42.2 -56.2 -47.1 12.9 18.3 37.1 64 66 A A H < S+ 0 0 33 -4,-2.0 -1,-0.2 160,-0.2 -2,-0.2 0.666 95.6 105.9 -75.8 -18.4 10.6 19.2 34.2 65 67 A S S < S- 0 0 25 -4,-1.2 -3,-0.0 -3,-0.2 160,-0.0 -0.131 70.9-132.7 -62.2 159.8 7.4 18.7 36.2 66 68 A D S S+ 0 0 135 1,-0.1 -1,-0.1 103,-0.0 -4,-0.1 0.762 99.6 38.0 -75.9 -29.7 5.2 21.5 37.4 67 69 A D S S+ 0 0 73 102,-0.1 2,-0.6 -24,-0.0 -57,-0.2 0.686 85.0 94.6-103.6 -23.9 4.8 20.1 40.9 68 70 A V + 0 0 2 -6,-0.3 -57,-0.2 1,-0.2 99,-0.1 -0.621 34.5 165.8 -84.6 122.9 8.0 18.5 42.1 69 71 A Q + 0 0 8 -59,-2.1 61,-2.5 -2,-0.6 2,-0.4 0.749 65.5 28.3-100.7 -31.0 10.1 20.8 44.2 70 72 A V E -bc 11 130A 0 -60,-1.6 -58,-2.5 59,-0.2 2,-0.5 -1.000 59.7-160.5-139.6 132.5 12.6 18.4 45.8 71 73 A V E -bc 12 131A 0 59,-3.2 61,-2.9 -2,-0.4 2,-0.5 -0.983 7.4-165.0-112.6 123.9 14.0 15.1 44.7 72 74 A L E -bc 13 132A 0 -60,-2.8 -58,-3.4 -2,-0.5 2,-0.4 -0.950 8.1-172.6-105.2 129.5 15.6 12.8 47.4 73 75 A I E -bc 14 133A 0 59,-2.8 61,-2.9 -2,-0.5 2,-0.4 -0.970 5.7-170.7-120.2 137.9 17.7 9.9 46.1 74 76 A T E +bc 15 134A 2 -60,-2.4 -58,-2.7 -2,-0.4 62,-0.3 -0.991 50.7 27.9-129.1 127.4 19.2 7.1 48.1 75 77 A G S S+ 0 0 5 59,-2.2 -58,-0.1 -2,-0.4 59,-0.1 -0.142 79.5 66.3 111.3 151.8 21.7 4.7 46.8 76 78 A G + 0 0 6 -60,-0.2 9,-2.3 9,-0.1 -59,-0.1 0.591 61.7 112.5 80.3 17.7 24.4 4.6 44.1 77 79 A T + 0 0 3 8,-0.2 43,-1.0 7,-0.2 6,-0.1 0.341 51.0 111.3-101.0 6.2 26.9 7.1 45.6 78 80 A G S S- 0 0 12 41,-0.2 41,-0.1 1,-0.1 7,-0.1 0.107 77.2-104.0 -72.5-167.8 29.6 4.5 46.3 79 81 A L S S+ 0 0 91 39,-0.3 2,-0.2 3,-0.0 -1,-0.1 0.216 80.9 92.2-112.0 7.6 33.0 4.0 44.7 80 82 A T S > S- 0 0 94 1,-0.0 3,-1.1 0, 0.0 -2,-0.0 -0.546 88.1 -94.3-101.0 172.4 32.6 1.0 42.5 81 83 A E T 3 S+ 0 0 187 1,-0.2 -1,-0.0 -2,-0.2 0, 0.0 0.804 119.4 51.2 -48.0 -42.8 31.6 0.5 38.8 82 84 A G T 3 S+ 0 0 22 -31,-0.0 2,-0.8 2,-0.0 -1,-0.2 0.613 83.5 96.2 -83.2 -12.3 27.9 0.0 39.5 83 85 A D < + 0 0 23 -3,-1.1 4,-0.2 1,-0.2 -6,-0.1 -0.676 43.2 153.6 -81.3 108.0 27.4 3.1 41.6 84 86 A Q > + 0 0 32 -2,-0.8 4,-2.3 2,-0.1 5,-0.2 0.264 29.8 106.1-124.1 7.8 26.1 5.7 39.1 85 87 A A H > S+ 0 0 0 -9,-2.3 4,-2.3 1,-0.2 5,-0.3 0.968 88.2 41.9 -65.4 -47.9 24.0 8.3 40.9 86 88 A P H > S+ 0 0 6 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.920 115.6 50.7 -62.1 -43.1 26.6 11.1 40.8 87 89 A E H 4 S+ 0 0 61 1,-0.2 -2,-0.2 2,-0.2 -3,-0.1 0.861 114.8 45.4 -57.9 -38.5 27.5 10.3 37.2 88 90 A A H < S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.1 4,-0.2 0.898 121.0 34.9 -69.7 -42.5 23.9 10.3 36.3 89 91 A L H >X S+ 0 0 0 -4,-2.3 3,-2.2 -5,-0.2 4,-0.6 0.835 97.8 72.0 -93.7 -39.0 22.9 13.5 38.1 90 92 A L G >< S+ 0 0 71 -4,-2.6 3,-1.5 -5,-0.3 -1,-0.2 0.894 97.1 54.1 -49.3 -45.1 25.8 15.9 37.9 91 93 A P G 34 S+ 0 0 42 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.700 104.7 57.3 -62.1 -17.3 25.2 16.6 34.1 92 94 A L G <4 S+ 0 0 2 -3,-2.2 2,-0.2 -4,-0.2 -2,-0.2 0.536 86.0 104.4 -90.2 -9.3 21.6 17.5 34.8 93 95 A F << - 0 0 26 -3,-1.5 33,-0.2 -4,-0.6 3,-0.2 -0.523 52.2-163.9 -80.3 139.9 22.4 20.3 37.3 94 96 A D S S- 0 0 50 31,-2.7 2,-0.3 1,-0.3 32,-0.2 0.850 88.8 -0.9 -70.2 -42.8 22.1 24.0 36.7 95 97 A R E S-D 125 0A 144 30,-1.7 30,-2.4 -3,-0.1 -1,-0.3 -0.992 73.5-123.1-143.3 148.3 24.3 24.5 39.8 96 98 A E E -D 124 0A 106 -2,-0.3 2,-0.8 28,-0.2 28,-0.3 -0.712 12.1-144.3 -86.5 144.6 25.9 22.3 42.4 97 99 A V >> - 0 0 39 26,-2.4 3,-1.9 -2,-0.3 4,-0.6 -0.781 23.3-179.7-104.8 80.9 25.0 22.8 46.1 98 100 A E H 3> S+ 0 0 92 -2,-0.8 4,-1.8 1,-0.3 5,-0.2 0.761 70.0 70.2 -59.9 -25.9 28.6 22.0 47.4 99 101 A G H 3> S+ 0 0 37 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.753 89.2 61.6 -64.3 -26.1 27.5 22.5 51.0 100 102 A F H <> S+ 0 0 8 -3,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.970 107.8 39.6 -70.0 -54.2 25.3 19.4 51.1 101 103 A G H X S+ 0 0 3 -4,-0.6 4,-2.4 2,-0.2 -1,-0.2 0.871 118.0 51.1 -57.6 -41.7 28.1 16.9 50.4 102 104 A E H X S+ 0 0 115 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.946 114.2 40.3 -65.0 -48.2 30.5 18.8 52.6 103 105 A V H X S+ 0 0 54 -4,-2.4 4,-2.9 1,-0.2 5,-0.3 0.906 115.0 53.3 -69.8 -41.5 28.3 19.1 55.7 104 106 A F H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.943 111.1 46.5 -58.1 -42.3 27.0 15.5 55.2 105 107 A R H X S+ 0 0 86 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.887 111.9 51.7 -68.5 -37.1 30.7 14.3 55.1 106 108 A X H X S+ 0 0 123 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.928 115.0 41.1 -63.9 -48.5 31.5 16.4 58.2 107 109 A L H X S+ 0 0 53 -4,-2.9 4,-1.3 1,-0.2 -2,-0.2 0.894 115.3 51.9 -69.3 -36.6 28.5 15.0 60.2 108 110 A S H X>S+ 0 0 6 -4,-2.6 4,-3.3 -5,-0.3 5,-0.6 0.866 100.8 60.5 -68.9 -35.5 29.2 11.5 58.9 109 111 A F H X5S+ 0 0 104 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.898 105.5 50.5 -58.5 -35.8 32.8 11.6 59.9 110 112 A E H <5S+ 0 0 154 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.2 0.872 118.2 37.3 -70.1 -33.4 31.6 12.0 63.5 111 113 A E H <5S+ 0 0 88 -4,-1.3 -2,-0.2 2,-0.1 -1,-0.2 0.780 138.0 10.3 -89.5 -35.8 29.2 9.1 63.2 112 114 A I H ><5S- 0 0 70 -4,-3.3 3,-1.3 1,-0.2 -3,-0.2 0.304 87.6-149.0-129.7 6.6 31.2 6.6 61.1 113 115 A G G >< S+ 0 0 108 1,-0.3 3,-2.4 2,-0.2 -1,-0.2 0.645 113.2 83.2 -70.0 -13.3 36.8 7.3 57.8 115 117 A S G X + 0 0 68 -3,-1.3 3,-1.9 1,-0.3 -1,-0.3 0.676 69.6 83.5 -59.6 -14.6 34.1 5.2 56.2 116 118 A T G X S+ 0 0 10 -3,-1.7 3,-1.4 1,-0.3 -1,-0.3 0.786 76.6 70.8 -57.3 -24.6 32.7 8.5 55.1 117 119 A L G < S+ 0 0 121 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.711 84.2 69.3 -64.4 -20.2 35.2 8.2 52.2 118 120 A Q G < S+ 0 0 114 -3,-1.9 -39,-0.3 -4,-0.2 2,-0.3 0.491 93.6 64.3 -86.0 -1.0 33.1 5.4 50.6 119 121 A S < - 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