==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 03-MAY-99 1QGO . COMPND 2 MOLECULE: ANAEROBIC COBALAMIN BIOSYNTHETIC COBALT CHELATASE . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR H.L.SCHUBERT,E.RAUX,M.J.WARREN,K.S.WILSON . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 77.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 38 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 38.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.9 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 1 0 0 1 0 0 1 2 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 1 3 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 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 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 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 K 0 0 154 0, 0.0 73,-1.3 0, 0.0 74,-1.1 0.000 360.0 360.0 360.0 99.9 25.9 80.2 61.7 2 3 A K E -a 75 0A 81 32,-0.4 34,-2.0 71,-0.2 2,-0.3 -0.910 360.0-158.3-117.8 145.4 25.4 76.6 60.4 3 4 A A E -ab 76 36A 0 72,-2.9 74,-2.5 -2,-0.4 2,-0.5 -0.843 12.3-152.1-123.4 157.9 23.5 75.3 57.4 4 5 A L E -ab 77 37A 0 32,-3.4 34,-2.5 -2,-0.3 2,-0.5 -0.998 16.3-167.6-121.9 120.9 21.9 72.1 56.3 5 6 A L E -ab 78 38A 0 72,-3.1 74,-1.9 -2,-0.5 2,-0.6 -0.978 3.2-161.8-114.9 118.3 21.9 71.6 52.5 6 7 A V E -ab 79 39A 0 32,-2.8 34,-2.0 -2,-0.5 2,-0.5 -0.953 9.3-161.5-107.9 119.2 19.7 68.8 51.2 7 8 A V E +ab 80 40A 0 72,-2.5 74,-3.4 -2,-0.6 2,-0.3 -0.881 14.5 168.0-104.6 125.6 20.6 67.7 47.6 8 9 A S E - b 0 41A 0 32,-2.3 34,-1.6 -2,-0.5 35,-0.3 -0.910 45.8-120.2-122.8 171.2 18.3 65.8 45.3 9 10 A F - 0 0 93 72,-0.3 34,-2.3 -2,-0.3 33,-0.8 0.977 65.6-136.3 -66.0 -58.9 18.1 64.8 41.7 10 11 A G - 0 0 9 31,-0.2 2,-0.3 32,-0.1 -1,-0.1 -0.452 22.2-138.4 124.5 167.1 14.8 66.7 41.5 11 12 A T - 0 0 9 -2,-0.1 -3,-0.0 -3,-0.1 193,-0.0 -0.967 11.4-150.4-155.8 150.2 11.3 66.4 40.2 12 13 A S S S+ 0 0 11 -2,-0.3 2,-0.8 1,-0.0 -1,-0.0 0.379 75.6 98.9-104.5 4.5 8.9 68.9 38.5 13 14 A Y > - 0 0 91 1,-0.2 4,-2.1 2,-0.0 5,-0.2 -0.854 61.5-161.2 -91.2 103.0 5.9 67.1 39.9 14 15 A H H > S+ 0 0 95 -2,-0.8 4,-3.0 1,-0.2 5,-0.2 0.856 82.1 52.4 -52.9 -48.3 4.9 69.1 43.0 15 16 A D H > S+ 0 0 110 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.947 113.8 40.6 -62.2 -50.4 2.8 66.4 44.8 16 17 A T H >>S+ 0 0 11 2,-0.2 4,-1.5 1,-0.2 5,-0.5 0.884 115.3 54.8 -67.9 -30.6 5.4 63.6 44.7 17 18 A C H X>S+ 0 0 7 -4,-2.1 5,-2.3 2,-0.2 4,-0.6 0.946 109.3 46.1 -60.5 -50.5 8.1 66.2 45.6 18 19 A E H <>S+ 0 0 120 -4,-3.0 5,-0.9 1,-0.2 -2,-0.2 0.926 115.0 48.6 -59.4 -44.1 6.1 67.3 48.6 19 20 A K H <5S+ 0 0 95 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.650 130.6 11.9 -72.7 -22.1 5.6 63.7 49.6 20 21 A N H X5S+ 0 0 0 -4,-1.5 4,-2.3 -3,-0.5 5,-0.2 0.690 129.9 38.5-119.2 -60.8 9.2 62.5 49.3 21 22 A I H X< S+ 0 0 0 -4,-2.8 3,-0.6 2,-0.2 4,-0.3 0.950 113.6 46.7 -59.8 -49.1 16.7 66.0 58.0 29 30 A A H >< S+ 0 0 24 -4,-2.8 3,-2.3 1,-0.2 6,-0.3 0.961 110.5 54.4 -57.0 -44.5 16.2 69.7 59.1 30 31 A A H 3< S+ 0 0 75 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.748 102.0 55.9 -65.6 -25.5 14.5 68.5 62.2 31 32 A S T << S+ 0 0 37 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.451 107.7 54.0 -85.2 0.7 17.4 66.4 63.3 32 33 A C X + 0 0 4 -3,-2.3 3,-1.9 -4,-0.3 -1,-0.2 -0.693 64.3 169.9-132.2 69.5 19.6 69.5 63.0 33 34 A P T 3 S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.661 76.8 54.1 -62.3 -15.4 17.9 72.1 65.2 34 35 A D T 3 S+ 0 0 101 -3,-0.1 -32,-0.4 -5,-0.1 2,-0.4 0.151 97.3 82.1-101.3 14.1 20.8 74.5 65.0 35 36 A R S < S- 0 0 23 -3,-1.9 2,-0.4 -6,-0.3 -32,-0.3 -0.940 73.3-127.3-121.3 149.4 21.0 74.6 61.2 36 37 A D E -b 3 0A 82 -34,-2.0 -32,-3.4 -2,-0.4 2,-0.4 -0.760 33.0-124.5 -88.2 138.5 19.1 76.5 58.5 37 38 A L E +b 4 0A 71 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.719 33.8 173.3 -90.1 129.7 17.6 74.2 55.8 38 39 A F E -b 5 0A 53 -34,-2.5 -32,-2.8 -2,-0.4 2,-0.3 -0.971 16.6-142.5-132.5 158.6 18.5 74.8 52.2 39 40 A R E +b 6 0A 70 -2,-0.3 20,-0.4 -34,-0.2 2,-0.3 -0.871 14.2 179.7-123.4 150.7 17.8 72.9 49.0 40 41 A A E -b 7 0A 0 -34,-2.0 -32,-2.3 -2,-0.3 2,-0.3 -0.988 11.2-156.1-145.2 137.0 19.6 72.1 45.8 41 42 A F E -b 8 0A 1 18,-2.2 -32,-0.2 -2,-0.3 -31,-0.2 -0.855 4.1-158.6-103.8 160.8 18.6 70.1 42.8 42 43 A T + 0 0 23 -34,-1.6 2,-0.8 -33,-0.8 -33,-0.2 0.745 64.3 89.6-107.9 -30.1 21.0 68.5 40.5 43 44 A S > - 0 0 13 -34,-2.3 4,-2.3 -35,-0.3 3,-0.4 -0.583 56.1-161.4 -80.8 111.6 19.1 68.0 37.2 44 45 A G H > S+ 0 0 33 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.872 91.2 57.0 -54.5 -43.5 19.4 71.0 35.0 45 46 A M H > S+ 0 0 112 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 109.1 45.0 -56.1 -43.8 16.3 69.9 33.0 46 47 A I H > S+ 0 0 13 -3,-0.4 4,-2.6 2,-0.2 5,-0.3 0.937 112.2 52.1 -68.3 -42.4 14.1 69.9 36.2 47 48 A I H X S+ 0 0 21 -4,-2.3 4,-1.7 1,-0.2 11,-0.3 0.892 111.7 46.7 -59.5 -43.1 15.6 73.3 37.3 48 49 A R H X S+ 0 0 158 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.903 111.6 50.5 -69.7 -39.8 14.8 74.9 34.0 49 50 A K H X S+ 0 0 94 -4,-2.0 4,-2.7 2,-0.2 5,-0.5 0.925 110.6 47.5 -64.7 -47.9 11.2 73.5 33.9 50 51 A L H X S+ 0 0 4 -4,-2.6 4,-1.7 1,-0.2 6,-1.6 0.884 113.7 50.8 -62.0 -34.6 10.3 74.7 37.4 51 52 A R H X S+ 0 0 153 -4,-1.7 4,-1.4 -5,-0.3 -2,-0.2 0.968 115.0 39.9 -68.1 -49.0 11.8 78.0 36.5 52 53 A Q H < S+ 0 0 151 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.935 126.3 33.2 -67.8 -47.1 9.8 78.5 33.2 53 54 A R H < S+ 0 0 106 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.887 134.8 19.0 -78.6 -42.6 6.5 77.0 34.4 54 55 A D H < S- 0 0 60 -4,-1.7 -3,-0.2 -5,-0.5 -2,-0.2 0.419 92.3-120.3-105.8 -11.9 6.3 78.0 38.0 55 56 A G < + 0 0 63 -4,-1.4 2,-0.4 -5,-0.4 -4,-0.2 0.611 63.4 148.9 79.3 6.3 8.8 80.9 38.4 56 57 A I - 0 0 58 -6,-1.6 2,-0.7 -7,-0.1 -1,-0.3 -0.647 38.1-152.1 -78.5 129.4 10.6 78.7 41.0 57 58 A D - 0 0 88 -2,-0.4 2,-0.6 -3,-0.1 -9,-0.1 -0.870 14.0-174.5-105.1 104.2 14.4 79.2 41.2 58 59 A I - 0 0 12 -2,-0.7 -18,-0.1 -11,-0.3 2,-0.1 -0.855 17.7-135.5-103.4 123.1 16.2 76.0 42.4 59 60 A D - 0 0 29 -2,-0.6 -18,-2.2 -20,-0.4 -2,-0.0 -0.401 9.8-129.3 -72.8 149.5 19.9 76.2 43.0 60 61 A T > - 0 0 39 -20,-0.2 4,-3.6 -2,-0.1 5,-0.2 -0.520 39.1 -98.1 -81.4 169.9 22.4 73.6 41.9 61 62 A P H > S+ 0 0 4 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.901 127.1 50.8 -58.4 -42.1 24.8 72.4 44.6 62 63 A L H > S+ 0 0 47 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.941 113.1 44.5 -62.1 -45.6 27.4 74.8 43.3 63 64 A Q H > S+ 0 0 85 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.920 111.9 54.0 -68.4 -34.1 25.0 77.8 43.4 64 65 A A H X S+ 0 0 3 -4,-3.6 4,-2.0 1,-0.2 -1,-0.2 0.893 111.0 43.7 -63.7 -45.7 23.7 76.7 46.8 65 66 A L H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.915 112.3 52.5 -69.3 -38.8 27.1 76.6 48.5 66 67 A Q H X S+ 0 0 98 -4,-2.1 4,-2.6 1,-0.2 -2,-0.2 0.932 112.3 46.4 -61.1 -41.6 28.3 79.9 46.9 67 68 A K H X S+ 0 0 91 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.859 110.8 53.0 -69.9 -33.9 25.1 81.6 48.2 68 69 A L H <>S+ 0 0 1 -4,-2.0 5,-2.4 2,-0.2 3,-0.3 0.926 109.7 47.6 -67.5 -38.7 25.7 80.0 51.6 69 70 A A H ><5S+ 0 0 30 -4,-2.9 3,-2.3 1,-0.3 -2,-0.2 0.949 110.6 52.5 -66.3 -38.7 29.3 81.4 51.7 70 71 A A H 3<5S+ 0 0 90 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.782 106.5 54.5 -68.2 -25.9 27.9 84.8 50.7 71 72 A Q T 3<5S- 0 0 92 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.413 120.6-107.8 -87.5 7.5 25.4 84.5 53.5 72 73 A G T < 5 + 0 0 38 -3,-2.3 2,-0.6 1,-0.3 -3,-0.2 0.652 64.2 152.5 82.4 12.3 28.2 83.9 56.1 73 74 A Y < + 0 0 14 -5,-2.4 -1,-0.3 1,-0.2 -71,-0.2 -0.754 16.8 178.5 -75.7 121.3 27.5 80.2 56.8 74 75 A Q + 0 0 124 -73,-1.3 31,-2.2 -2,-0.6 30,-2.0 0.654 66.7 45.7 -96.2 -19.3 30.8 78.7 57.9 75 76 A D E +ac 2 105A 20 -74,-1.1 -72,-2.9 29,-0.2 2,-0.4 -0.964 66.3 177.8-128.8 115.0 29.7 75.2 58.5 76 77 A V E -ac 3 106A 0 29,-2.5 31,-2.3 -2,-0.5 2,-0.4 -0.977 12.5-161.1-122.9 130.2 27.5 73.4 56.0 77 78 A A E -ac 4 107A 0 -74,-2.5 -72,-3.1 -2,-0.4 2,-0.4 -0.896 14.3-163.0-108.2 133.0 26.3 69.8 56.3 78 79 A I E -ac 5 108A 0 29,-2.8 31,-3.1 -2,-0.4 2,-0.4 -0.972 13.0-176.3-122.9 134.4 25.0 68.2 53.1 79 80 A Q E -a 6 0A 0 -74,-1.9 -72,-2.5 -2,-0.4 2,-0.4 -0.995 15.5-148.7-125.1 130.6 22.9 65.1 52.6 80 81 A S E -a 7 0A 0 -2,-0.4 2,-0.7 29,-0.4 -72,-0.2 -0.782 10.3-141.1 -98.0 140.4 22.2 63.8 49.1 81 82 A L + 0 0 4 -74,-3.4 2,-0.3 -2,-0.4 -72,-0.3 -0.341 54.5 132.4 -92.2 58.1 18.9 62.0 48.6 82 83 A H - 0 0 19 -2,-0.7 30,-2.9 1,-0.2 31,-0.1 -0.808 49.8-155.5-106.5 151.5 20.1 59.4 46.2 83 84 A I S S+ 0 0 17 -2,-0.3 30,-3.0 28,-0.2 2,-0.3 0.937 82.5 58.1 -82.8 -49.4 19.6 55.6 46.3 84 85 A I B S-d 113 0B 27 28,-0.2 2,-1.4 27,-0.1 5,-0.4 -0.602 71.4-144.4 -85.7 131.9 22.7 54.8 44.4 85 86 A N + 0 0 54 28,-0.7 2,-0.1 -2,-0.3 -1,-0.0 -0.753 69.4 95.3 -90.6 84.6 26.2 55.7 45.5 86 87 A G S > S- 0 0 4 -2,-1.4 4,-2.7 63,-0.0 5,-0.2 -0.288 86.2 -25.0-138.8-131.0 27.4 56.3 41.9 87 88 A D H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.935 127.6 49.4 -68.0 -45.3 28.0 58.9 39.3 88 89 A E H > S+ 0 0 87 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.968 115.5 45.9 -57.8 -49.5 25.4 61.5 40.4 89 90 A Y H > S+ 0 0 19 -5,-0.4 4,-2.4 1,-0.2 -2,-0.2 0.906 108.5 54.6 -62.8 -38.8 26.8 61.3 44.0 90 91 A E H X S+ 0 0 88 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.907 102.9 58.1 -65.3 -32.1 30.5 61.5 42.9 91 92 A K H X S+ 0 0 83 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.969 108.6 45.1 -61.1 -41.7 29.7 64.7 41.0 92 93 A I H X S+ 0 0 1 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.876 108.1 58.2 -69.3 -36.9 28.5 66.2 44.3 93 94 A V H X S+ 0 0 39 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.948 109.6 44.4 -56.1 -47.5 31.6 64.8 46.0 94 95 A R H X S+ 0 0 148 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.940 112.7 49.8 -63.3 -52.1 33.8 66.8 43.6 95 96 A E H X S+ 0 0 20 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.847 111.2 49.9 -57.4 -40.0 31.8 70.0 43.8 96 97 A V H X S+ 0 0 1 -4,-2.7 4,-0.9 -5,-0.2 3,-0.2 0.957 110.5 49.8 -63.6 -46.1 31.9 69.9 47.6 97 98 A Q H < S+ 0 0 120 -4,-2.3 3,-0.3 1,-0.2 -2,-0.2 0.847 109.1 53.2 -59.4 -38.2 35.6 69.3 47.5 98 99 A L H < S+ 0 0 114 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.898 113.8 40.4 -61.4 -45.5 36.1 72.3 45.2 99 100 A L H >< S+ 0 0 17 -4,-1.7 3,-1.9 -3,-0.2 -1,-0.2 0.436 84.3 102.7 -93.5 7.0 34.2 74.7 47.4 100 101 A R G >< S+ 0 0 92 -4,-0.9 3,-2.8 -3,-0.3 -1,-0.2 0.905 70.9 64.8 -54.1 -42.8 35.6 73.5 50.7 101 102 A P G 3 S+ 0 0 113 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.645 92.0 64.2 -60.4 -15.5 38.0 76.4 50.9 102 103 A L G < S+ 0 0 93 -3,-1.9 2,-0.3 2,-0.0 -2,-0.2 0.489 105.2 53.2 -81.8 -10.2 35.1 78.9 51.3 103 104 A F S < S- 0 0 20 -3,-2.8 3,-0.2 -4,-0.2 -28,-0.2 -0.906 70.6-135.9-127.9 163.6 34.1 77.2 54.5 104 105 A T S S+ 0 0 111 -30,-2.0 2,-0.4 1,-0.3 -29,-0.2 0.910 99.4 7.8 -79.8 -43.2 35.4 76.3 57.9 105 106 A R E +c 75 0A 93 -31,-2.2 -29,-2.5 -3,-0.1 2,-0.4 -0.983 59.4 178.2-146.1 131.9 33.6 72.9 57.7 106 107 A L E -c 76 0A 6 -2,-0.4 2,-0.4 -31,-0.2 -29,-0.2 -0.998 12.5-178.6-127.4 123.7 31.8 71.1 54.9 107 108 A T E -c 77 0A 12 -31,-2.3 -29,-2.8 -2,-0.4 2,-0.4 -0.986 6.9-164.6-128.0 144.8 30.5 67.6 55.5 108 109 A L E -c 78 0A 30 -2,-0.4 -29,-0.2 -31,-0.2 -31,-0.0 -0.962 7.4-149.7-131.3 120.5 28.7 65.4 53.1 109 110 A G - 0 0 2 -31,-3.1 -29,-0.4 -2,-0.4 142,-0.2 -0.304 26.5-111.5 -77.8 174.0 26.6 62.2 53.9 110 111 A V - 0 0 44 140,-0.2 4,-0.1 1,-0.2 140,-0.1 -0.637 28.8 -92.3-114.0 155.8 26.3 59.3 51.4 111 112 A P - 0 0 0 0, 0.0 -28,-0.2 0, 0.0 3,-0.2 -0.070 50.0 -90.6 -53.1 167.5 23.5 57.8 49.3 112 113 A L S S+ 0 0 1 -30,-2.9 2,-1.2 1,-0.2 3,-0.2 0.902 116.1 50.0 -47.7 -56.9 21.3 55.0 50.6 113 114 A L B +d 84 0B 9 -30,-3.0 -28,-0.7 1,-0.2 -1,-0.2 -0.634 67.9 122.1 -96.0 85.3 23.3 52.0 49.3 114 115 A S S S+ 0 0 40 -2,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.300 70.5 14.4-128.3 12.5 26.8 52.6 50.5 115 116 A S S > S- 0 0 55 -3,-0.2 4,-1.5 1,-0.2 -1,-0.2 -0.971 82.6 -92.6-170.8 168.7 27.8 49.6 52.6 116 117 A H H >> S+ 0 0 125 -2,-0.3 4,-1.8 1,-0.2 3,-0.9 0.968 123.8 53.2 -56.5 -53.9 26.7 46.0 53.4 117 118 A N H 3> S+ 0 0 108 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.846 102.4 58.4 -53.7 -35.1 24.7 47.3 56.4 118 119 A D H 3> S+ 0 0 5 1,-0.2 4,-3.3 2,-0.2 -1,-0.3 0.898 105.7 49.5 -63.0 -36.9 22.8 49.8 54.2 119 120 A Y H < S+ 0 0 3 -4,-2.8 3,-1.2 1,-0.2 4,-0.5 0.943 109.4 51.6 -59.7 -48.4 12.7 49.4 55.4 126 127 A L H >X S+ 0 0 0 -4,-3.0 3,-1.7 1,-0.3 4,-0.6 0.898 100.5 63.3 -59.5 -37.5 11.2 48.0 52.2 127 128 A R H >< S+ 0 0 134 -4,-2.0 3,-0.9 1,-0.3 -1,-0.3 0.842 95.6 62.7 -55.1 -31.2 9.5 45.3 54.3 128 129 A Q T << S+ 0 0 142 -3,-1.2 -1,-0.3 -4,-1.0 -2,-0.2 0.655 105.0 42.4 -67.9 -21.4 7.5 48.1 56.0 129 130 A Q T <4 S+ 0 0 41 -3,-1.7 -1,-0.2 -4,-0.5 -2,-0.2 0.363 89.9 108.2-103.4 -0.9 5.7 49.3 52.9 130 131 A M << - 0 0 24 -3,-0.9 2,-0.1 -4,-0.6 3,-0.1 -0.622 68.3-127.7 -78.4 135.8 4.9 45.8 51.5 131 132 A P - 0 0 32 0, 0.0 64,-0.1 0, 0.0 -2,-0.1 -0.394 40.8 -75.2 -76.9 159.7 1.3 44.8 51.7 132 133 A S - 0 0 113 -2,-0.1 2,-0.4 1,-0.1 0, 0.0 -0.303 60.5-148.9 -50.5 131.1 0.2 41.5 53.3 133 134 A L - 0 0 51 -3,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.883 16.6-135.1-117.1 145.9 1.0 38.8 50.8 134 135 A R > - 0 0 147 -2,-0.4 3,-2.3 1,-0.1 59,-0.1 -0.642 43.2-107.6 -76.4 155.8 -0.5 35.4 49.9 135 136 A Q T 3 S+ 0 0 162 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.630 122.0 52.1 -65.3 -14.5 2.4 32.9 49.6 136 137 A T T 3 S+ 0 0 54 55,-0.1 56,-2.8 2,-0.0 57,-0.9 0.169 99.2 89.7-100.0 11.8 2.1 32.9 45.8 137 138 A E E < +e 193 0C 44 -3,-2.3 2,-0.3 54,-0.2 57,-0.2 -0.820 53.2 179.4-109.5 152.2 2.3 36.7 45.8 138 139 A K E -e 194 0C 50 55,-1.7 57,-1.7 -2,-0.3 2,-0.4 -0.985 27.0-123.6-144.4 155.0 5.3 38.9 45.6 139 140 A V E -ef 195 168C 0 28,-2.3 30,-2.0 -2,-0.3 2,-0.5 -0.816 23.8-153.3 -93.3 140.5 6.2 42.6 45.5 140 141 A V E -ef 196 169C 0 55,-3.5 57,-2.1 -2,-0.4 2,-0.4 -0.968 6.1-153.6-118.5 117.4 8.2 43.7 42.5 141 142 A F E -ef 197 170C 0 28,-3.4 30,-2.9 -2,-0.5 2,-0.7 -0.716 3.7-147.9 -93.5 140.9 10.4 46.8 42.9 142 143 A M E -ef 198 171C 0 55,-2.0 57,-2.8 -2,-0.4 30,-0.2 -0.858 17.2-173.0-109.5 107.1 11.3 49.0 40.0 143 144 A G E - f 0 172C 0 28,-3.3 30,-2.3 -2,-0.7 2,-0.4 -0.406 11.0-142.1 -89.0 168.8 14.7 50.7 40.1 144 145 A H + 0 0 82 55,-0.4 30,-0.1 28,-0.2 2,-0.1 -0.994 50.8 70.9-136.1 138.0 16.0 53.3 37.8 145 146 A G - 0 0 16 28,-0.5 31,-0.4 -2,-0.4 -2,-0.1 0.003 44.2-151.6 127.4 131.5 19.5 53.8 36.3 146 147 A A + 0 0 69 29,-0.1 -1,-0.1 4,-0.1 28,-0.0 0.484 59.7 114.9-105.0 -1.7 21.6 51.9 33.8 147 148 A S S > S- 0 0 40 1,-0.1 4,-2.6 4,-0.1 5,-0.3 -0.182 80.9-110.9 -61.7 168.0 25.1 52.9 35.1 148 149 A H H > S+ 0 0 113 1,-0.2 4,-1.3 2,-0.2 5,-0.2 0.804 118.9 55.8 -71.9 -30.1 27.1 50.0 36.5 149 150 A H H > S+ 0 0 57 2,-0.1 4,-1.2 3,-0.1 -1,-0.2 0.882 112.1 43.2 -62.8 -41.1 26.7 51.4 40.0 150 151 A A H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.967 115.2 43.0 -76.8 -47.9 23.0 51.3 39.7 151 152 A F H X S+ 0 0 80 -4,-2.6 4,-2.9 1,-0.2 5,-0.2 0.825 112.9 52.8 -71.9 -29.7 22.3 48.0 38.1 152 153 A A H X S+ 0 0 52 -4,-1.3 4,-2.8 -5,-0.3 -1,-0.2 0.932 109.7 50.9 -68.5 -37.8 24.8 46.1 40.3 153 154 A A H X S+ 0 0 4 -4,-1.2 4,-2.4 -5,-0.2 -2,-0.2 0.940 111.7 46.3 -60.9 -44.7 23.0 47.6 43.3 154 155 A Y H X S+ 0 0 5 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.958 114.3 47.9 -65.3 -45.8 19.7 46.4 41.9 155 156 A A H X S+ 0 0 29 -4,-2.9 4,-3.1 21,-0.3 -1,-0.2 0.877 111.0 51.4 -58.4 -46.5 21.1 42.9 41.2 156 157 A C H X S+ 0 0 45 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.933 109.9 48.7 -56.6 -47.8 22.7 42.7 44.6 157 158 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.915 113.0 47.7 -59.8 -45.7 19.4 43.6 46.3 158 159 A D H X S+ 0 0 19 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.923 111.2 52.9 -59.7 -43.7 17.6 41.0 44.2 159 160 A H H X S+ 0 0 133 -4,-3.1 4,-2.3 1,-0.2 -2,-0.2 0.936 112.0 44.3 -59.7 -42.1 20.4 38.5 45.1 160 161 A M H X S+ 0 0 24 -4,-3.0 4,-2.3 2,-0.2 -1,-0.2 0.915 112.9 50.2 -71.2 -40.6 19.9 39.2 48.8 161 162 A M H X>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 4,-0.8 0.975 113.1 46.1 -62.7 -52.3 16.1 39.0 48.7 162 163 A T H ><5S+ 0 0 75 -4,-2.5 3,-1.0 1,-0.2 -2,-0.2 0.936 113.6 48.4 -54.4 -50.9 16.1 35.7 46.8 163 164 A A H 3<5S+ 0 0 71 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.897 119.1 38.8 -57.9 -46.7 18.8 34.1 49.1 164 165 A Q H 3<5S- 0 0 125 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.416 110.8-120.4 -84.0 -2.6 16.9 35.2 52.2 165 166 A R T <<5 + 0 0 226 -3,-1.0 -3,-0.2 -4,-0.8 -4,-0.1 0.863 46.4 171.4 64.8 35.0 13.5 34.5 50.8 166 167 A F < - 0 0 17 -5,-2.5 2,-1.9 -6,-0.2 -1,-0.2 -0.621 43.6-118.3 -68.5 134.9 12.3 38.1 51.2 167 168 A P S S+ 0 0 23 0, 0.0 -28,-2.3 0, 0.0 2,-0.3 -0.045 84.5 79.8 -76.6 49.3 8.9 38.1 49.3 168 169 A A E -f 139 0C 1 -2,-1.9 2,-0.3 -30,-0.2 -28,-0.2 -0.960 58.5-153.8-149.8 160.3 10.0 40.7 46.8 169 170 A R E -f 140 0C 31 -30,-2.0 -28,-3.4 -2,-0.3 2,-0.4 -0.924 13.5-140.0-132.8 151.6 12.1 40.9 43.6 170 171 A V E +f 141 0C 0 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.993 23.6 167.3-121.7 128.7 14.0 43.9 42.1 171 172 A G E -f 142 0C 0 -30,-2.9 -28,-3.3 -2,-0.4 2,-0.4 -0.816 25.4-133.9-126.0 170.3 14.1 44.9 38.5 172 173 A A E > -f 143 0C 2 5,-2.5 3,-1.9 -2,-0.3 7,-0.3 -0.980 25.3-112.7-134.8 125.2 15.3 48.0 36.8 173 174 A V T 3 S- 0 0 7 -30,-2.3 -28,-0.5 -2,-0.4 3,-0.1 -0.237 99.7 -12.1 -55.6 123.2 13.4 49.9 34.0 174 175 A E T 3 S+ 0 0 156 1,-0.2 -1,-0.3 -30,-0.1 2,-0.2 0.818 133.9 66.4 47.3 43.6 15.5 49.5 30.8 175 176 A S S < S- 0 0 24 -3,-1.9 -1,-0.2 2,-0.3 -3,-0.2 -0.562 87.2 -21.0-155.8-145.0 18.4 48.2 32.8 176 177 A Y S S+ 0 0 112 -31,-0.4 -21,-0.3 -2,-0.2 -22,-0.2 -0.990 106.8 42.5-140.4 147.0 19.2 45.1 34.9 177 178 A P S S- 0 0 14 0, 0.0 -5,-2.5 0, 0.0 2,-0.4 0.491 93.4-132.8 -60.7 157.3 17.8 42.9 36.3 178 179 A E > - 0 0 97 -2,-0.2 4,-2.1 -7,-0.2 3,-0.1 -0.701 4.3-141.8 -88.5 136.3 15.4 42.7 33.4 179 180 A V H > S+ 0 0 8 -2,-0.4 4,-3.4 -7,-0.3 5,-0.2 0.898 99.7 58.6 -70.5 -29.5 11.7 42.6 34.0 180 181 A D H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.897 108.3 46.4 -64.4 -38.2 11.0 40.1 31.2 181 182 A I H > S+ 0 0 93 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.965 114.0 49.1 -66.0 -47.0 13.4 37.7 32.8 182 183 A L H X S+ 0 0 5 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.919 109.6 51.0 -55.8 -46.4 11.7 38.3 36.2 183 184 A I H X S+ 0 0 9 -4,-3.4 4,-2.8 2,-0.2 3,-0.3 0.978 111.7 47.2 -59.3 -53.0 8.2 37.9 34.7 184 185 A D H X S+ 0 0 87 -4,-2.3 4,-2.8 1,-0.3 -1,-0.2 0.906 114.1 48.9 -49.7 -52.3 9.2 34.5 33.2 185 186 A S H X S+ 0 0 31 -4,-2.8 4,-0.6 2,-0.2 -1,-0.3 0.869 112.0 46.4 -56.9 -41.8 10.8 33.5 36.5 186 187 A L H X>S+ 0 0 0 -4,-2.7 5,-2.8 -3,-0.3 4,-0.7 0.883 112.0 52.3 -74.9 -32.9 7.8 34.5 38.6 187 188 A R H ><5S+ 0 0 129 -4,-2.8 3,-1.4 -5,-0.2 -2,-0.2 0.963 108.3 49.9 -64.2 -47.6 5.5 32.7 36.2 188 189 A D H 3<5S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.627 108.4 54.9 -66.5 -18.4 7.5 29.5 36.4 189 190 A E H 3<5S- 0 0 111 -4,-0.6 -1,-0.3 -3,-0.4 -2,-0.2 0.605 120.0-106.7 -89.5 -14.0 7.4 29.7 40.2 190 191 A G T <<5 + 0 0 43 -3,-1.4 -3,-0.2 -4,-0.7 2,-0.2 0.651 51.8 176.7 95.9 21.4 3.6 29.9 40.3 191 192 A V < - 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