==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 25-JUL-10 3O3N . COMPND 2 MOLECULE: ALPHA-SUBUNIT 2-HYDROXYISOCAPROYL-COA DEHYDRATASE . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM DIFFICILE; . AUTHOR S.H.KNAUER,W.BUCKEL,H.DOBBEK . 1548 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57054.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1155 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 138 8.9 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 . 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 . 101 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 178 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 680 43.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 2.1 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 6 0 2 0 0 6 6 10 7 4 2 2 3 0 1 2 1 3 5 0 0 0 1 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 1 6 9 2 4 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 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 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 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 K 0 0 210 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 118.0 62.5 20.2 -11.3 2 6 A E > - 0 0 125 1,-0.1 4,-1.8 234,-0.0 5,-0.2 -0.733 360.0-136.6 -97.2 140.6 58.9 19.0 -11.0 3 7 A A H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.918 103.0 53.9 -57.5 -49.9 56.5 19.7 -8.1 4 8 A R H > S+ 0 0 84 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.877 107.1 51.8 -55.6 -41.0 55.1 16.2 -7.8 5 9 A V H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.961 112.9 43.8 -60.9 -52.1 58.6 14.7 -7.5 6 10 A V H X S+ 0 0 38 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.872 115.1 51.0 -59.8 -40.0 59.5 17.2 -4.7 7 11 A I H X S+ 0 0 4 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.951 111.2 45.4 -63.6 -52.2 56.2 16.6 -3.0 8 12 A N H X S+ 0 0 76 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.859 115.8 47.5 -61.4 -35.7 56.4 12.8 -3.1 9 13 A D H X S+ 0 0 96 -4,-2.3 4,-1.0 -5,-0.2 -1,-0.2 0.825 111.4 50.5 -74.9 -30.9 59.9 13.0 -1.8 10 14 A L H X S+ 0 0 10 -4,-2.0 4,-1.0 -5,-0.2 -2,-0.2 0.890 112.9 46.7 -72.1 -39.7 59.0 15.5 0.9 11 15 A L H >X S+ 0 0 26 -4,-2.7 4,-1.1 1,-0.2 3,-1.0 0.959 113.7 46.9 -65.3 -50.3 56.1 13.2 2.0 12 16 A A H 3X S+ 0 0 60 -4,-2.5 4,-1.6 1,-0.3 -1,-0.2 0.716 106.4 61.3 -64.3 -21.2 58.3 10.1 2.0 13 17 A E H 3X S+ 0 0 97 -4,-1.0 4,-2.4 2,-0.2 -1,-0.3 0.782 95.7 59.5 -76.7 -27.4 60.9 12.1 3.9 14 18 A Q H S+ 0 0 0 -4,-2.6 5,-3.8 1,-0.2 4,-0.4 0.872 111.1 52.1 -54.1 -40.3 64.1 9.4 15.3 22 26 A K H ><5S+ 0 0 67 -4,-1.9 3,-1.2 3,-0.2 -1,-0.2 0.941 109.6 48.6 -60.8 -49.5 62.7 6.1 16.5 23 27 A E H 3<5S+ 0 0 169 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.885 112.4 47.9 -58.1 -44.0 66.1 4.4 15.9 24 28 A E T 3<5S- 0 0 102 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.2 0.446 121.1-106.5 -79.9 -1.0 68.0 7.2 17.7 25 29 A G T < 5S+ 0 0 65 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.686 71.9 141.4 85.5 17.3 65.6 7.0 20.6 26 30 A R < - 0 0 90 -5,-3.8 -1,-0.3 -6,-0.2 -2,-0.1 -0.788 58.6 -98.2 -95.8 137.9 63.7 10.3 19.9 27 31 A P - 0 0 28 0, 0.0 19,-0.9 0, 0.0 2,-0.4 -0.232 33.8-162.6 -57.0 132.8 59.9 10.3 20.5 28 32 A V E -a 46 0A 0 74,-0.2 76,-3.9 17,-0.1 77,-1.1 -0.956 9.4-160.8-116.3 134.0 57.6 9.9 17.6 29 33 A G E -ab 47 105A 0 17,-2.3 19,-3.0 -2,-0.4 2,-0.4 -0.746 13.9-141.7-115.3 164.0 54.0 10.9 17.8 30 34 A W E -ab 48 106A 3 75,-1.5 77,-2.7 -2,-0.3 2,-0.3 -0.964 28.6-173.8-118.3 139.6 50.8 10.1 16.0 31 35 A S E - b 0 107A 0 17,-2.3 20,-0.4 -2,-0.4 77,-0.2 -0.971 27.2-106.5-140.6 151.3 48.3 12.9 15.4 32 36 A T > - 0 0 0 75,-2.1 3,-1.0 -2,-0.3 78,-0.1 -0.256 45.7-102.4 -67.4 164.4 44.8 13.6 14.1 33 37 A S T 3 S+ 0 0 12 1,-0.2 -1,-0.1 76,-0.1 75,-0.0 0.731 115.0 32.5 -64.3 -26.6 44.6 15.4 10.7 34 38 A V T 3 S+ 0 0 2 75,-0.3 -1,-0.2 2,-0.1 77,-0.1 -0.230 83.7 139.8-125.7 46.5 43.8 18.9 12.0 35 39 A F S < S- 0 0 0 -3,-1.0 2,-2.8 72,-0.1 3,-0.2 -0.468 72.4 -92.7 -83.4 157.5 45.6 19.0 15.3 36 40 A P > + 0 0 0 0, 0.0 3,-1.9 0, 0.0 4,-0.3 -0.438 51.6 177.4 -72.0 78.3 47.5 22.2 16.3 37 41 A Q T >> + 0 0 9 -2,-2.8 4,-2.2 1,-0.3 3,-1.3 0.717 66.5 77.0 -55.6 -23.8 50.7 20.9 14.8 38 42 A E H 3> S+ 0 0 1 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.841 85.8 64.5 -56.1 -33.3 52.5 24.2 15.7 39 43 A L H <4 S+ 0 0 0 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.756 111.5 31.3 -62.9 -30.1 52.7 22.9 19.3 40 44 A A H X4>S+ 0 0 2 -3,-1.3 5,-1.9 -4,-0.3 3,-1.2 0.732 111.8 64.0 -99.3 -29.0 55.0 19.9 18.4 41 45 A E H ><5S+ 0 0 25 -4,-2.2 3,-3.1 1,-0.3 -2,-0.2 0.924 93.1 62.0 -60.2 -45.6 56.8 21.5 15.6 42 46 A V T 3<5S+ 0 0 7 -4,-1.9 -1,-0.3 1,-0.3 130,-0.2 0.702 105.9 48.9 -55.3 -18.3 58.3 24.2 17.9 43 47 A F T < 5S- 0 0 6 -3,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.337 113.2-119.4-101.8 3.9 60.0 21.2 19.6 44 48 A D T < 5 + 0 0 89 -3,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.754 55.9 166.4 61.7 26.0 61.3 19.6 16.4 45 49 A L < - 0 0 16 -5,-1.9 2,-0.6 1,-0.1 -1,-0.2 -0.425 40.3-121.4 -73.3 145.0 59.3 16.5 17.2 46 50 A N E -a 28 0A 29 -19,-0.9 -17,-2.3 -2,-0.1 2,-0.4 -0.790 36.5-175.2 -88.2 119.8 58.6 13.9 14.5 47 51 A V E -a 29 0A 26 -2,-0.6 2,-0.3 -19,-0.2 -17,-0.2 -0.971 9.1-168.4-125.9 126.3 54.9 13.5 14.0 48 52 A L E -a 30 0A 5 -19,-3.0 -17,-2.3 -2,-0.4 52,-0.0 -0.730 17.4-130.8-108.5 157.7 53.0 11.0 11.8 49 53 A Y > - 0 0 7 -2,-0.3 4,-2.6 -19,-0.2 3,-0.5 -0.893 6.7-162.4-117.5 108.5 49.3 11.0 10.8 50 54 A P H > S+ 0 0 0 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.857 95.0 54.1 -51.5 -40.4 47.2 7.8 11.1 51 55 A E H > S+ 0 0 25 -20,-0.4 4,-1.9 2,-0.2 5,-0.2 0.904 110.9 45.8 -63.3 -40.7 44.6 9.2 8.8 52 56 A N H > S+ 0 0 34 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.908 112.5 49.8 -67.7 -43.1 47.2 9.8 6.1 53 57 A Q H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.895 112.3 48.8 -62.3 -40.2 48.9 6.4 6.6 54 58 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.856 110.0 49.6 -69.7 -38.5 45.5 4.7 6.3 55 59 A A H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.924 112.1 50.5 -65.5 -43.1 44.4 6.6 3.1 56 60 A G H X S+ 0 0 19 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.903 111.5 46.0 -61.3 -43.2 47.8 5.6 1.6 57 61 A V H <>S+ 0 0 2 -4,-2.2 5,-2.6 2,-0.2 6,-0.3 0.906 111.6 52.3 -66.5 -41.3 47.4 2.0 2.5 58 62 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.8 4,-0.2 -2,-0.2 0.905 107.7 51.2 -61.5 -41.6 43.8 1.9 1.2 59 63 A A H 3<5S+ 0 0 38 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.900 107.4 53.8 -61.9 -39.1 45.0 3.4 -2.1 60 64 A K T 3<5S- 0 0 135 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.241 120.1-116.0 -78.2 12.2 47.6 0.7 -2.3 61 65 A K T < 5S+ 0 0 142 -3,-1.8 -3,-0.2 203,-0.1 -2,-0.1 0.787 87.3 108.9 59.7 33.1 44.7 -1.8 -1.8 62 66 A G >< + 0 0 17 -5,-2.6 4,-0.6 -6,-0.1 -4,-0.2 0.207 42.0 91.7-124.9 18.7 45.9 -3.1 1.5 63 67 A S H > S+ 0 0 1 -6,-0.3 4,-2.5 -5,-0.2 5,-0.2 0.711 76.8 67.5 -84.6 -20.8 43.4 -1.6 4.0 64 68 A L H > S+ 0 0 56 2,-0.2 4,-3.3 1,-0.2 5,-0.3 0.981 98.0 49.0 -61.8 -57.6 41.1 -4.7 3.9 65 69 A E H > S+ 0 0 140 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.834 114.5 47.9 -50.8 -37.8 43.6 -7.1 5.5 66 70 A L H X S+ 0 0 8 -4,-0.6 4,-2.6 2,-0.2 -1,-0.2 0.905 111.0 48.0 -74.0 -42.0 44.1 -4.6 8.3 67 71 A C H X S+ 0 0 0 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.939 111.4 52.7 -63.8 -41.0 40.4 -3.9 8.9 68 72 A E H X S+ 0 0 94 -4,-3.3 4,-2.0 -5,-0.2 -1,-0.2 0.868 108.9 50.2 -62.3 -32.5 39.9 -7.6 9.0 69 73 A I H X S+ 0 0 44 -4,-1.4 4,-0.9 -5,-0.3 -2,-0.2 0.962 111.8 45.5 -69.2 -49.2 42.6 -8.0 11.6 70 74 A A H ><>S+ 0 0 0 -4,-2.6 5,-1.8 14,-0.3 3,-0.7 0.890 113.4 53.0 -58.7 -39.6 41.1 -5.2 13.8 71 75 A E H ><5S+ 0 0 46 -4,-3.0 3,-1.9 1,-0.2 -1,-0.2 0.874 101.6 56.6 -65.1 -38.1 37.7 -6.9 13.3 72 76 A S H 3<5S+ 0 0 101 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.709 102.7 59.2 -67.7 -16.7 39.0 -10.3 14.4 73 77 A K T <<5S- 0 0 56 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.470 131.7 -91.3 -88.9 -2.6 40.0 -8.6 17.6 74 78 A G T < 5S+ 0 0 24 -3,-1.9 2,-0.6 1,-0.3 -3,-0.2 0.466 78.3 141.6 108.4 1.0 36.4 -7.5 18.2 75 79 A Y < - 0 0 4 -5,-1.8 -1,-0.3 -6,-0.1 -2,-0.1 -0.693 51.6-123.7 -80.3 121.4 36.3 -4.1 16.6 76 80 A S > - 0 0 32 -2,-0.6 3,-1.9 653,-0.3 -1,-0.1 -0.366 9.1-126.4 -67.5 141.8 32.9 -3.6 14.9 77 81 A I T 3 S+ 0 0 85 1,-0.3 -1,-0.1 -2,-0.1 4,-0.1 0.568 104.8 77.4 -61.9 -9.0 32.7 -2.8 11.2 78 82 A D T 3 S+ 0 0 0 2,-0.1 -1,-0.3 647,-0.1 3,-0.1 0.813 76.4 91.3 -71.4 -32.2 30.6 0.2 12.3 79 83 A L S < S- 0 0 0 -3,-1.9 5,-0.1 1,-0.2 263,-0.1 -0.284 98.1 -77.7 -66.5 148.2 33.6 2.1 13.4 80 84 A C >> - 0 0 16 261,-0.2 4,-1.8 1,-0.1 3,-0.7 -0.155 37.6-128.3 -47.2 134.2 35.5 4.4 11.0 81 85 A A H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.758 106.5 60.5 -57.2 -32.0 37.7 2.6 8.5 82 86 A Y H 3> S+ 0 0 19 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.916 107.5 45.4 -63.8 -42.2 40.7 4.7 9.4 83 87 A A H <> S+ 0 0 0 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.868 114.0 48.0 -67.6 -40.2 40.5 3.5 13.0 84 88 A R H X S+ 0 0 1 -4,-1.8 4,-2.0 2,-0.2 -14,-0.3 0.935 113.1 48.5 -67.1 -44.5 40.0 -0.1 12.0 85 89 A T H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.922 113.9 46.8 -61.1 -42.2 42.9 0.1 9.6 86 90 A N H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.877 109.1 53.1 -67.8 -37.9 45.1 1.7 12.2 87 91 A F H X S+ 0 0 5 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.845 109.2 51.1 -65.9 -31.5 44.1 -0.9 14.9 88 92 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.861 107.5 52.4 -72.2 -35.0 45.1 -3.6 12.5 89 93 A L H X>S+ 0 0 4 -4,-1.6 5,-3.1 2,-0.2 4,-0.6 0.904 111.1 47.3 -65.6 -42.9 48.4 -1.9 11.9 90 94 A L H ><5S+ 0 0 41 -4,-2.2 3,-0.6 3,-0.2 -2,-0.2 0.925 115.7 43.3 -65.1 -45.9 49.1 -1.8 15.6 91 95 A E H 3<5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.884 116.9 47.5 -67.7 -37.6 48.1 -5.4 16.2 92 96 A N H 3<5S- 0 0 93 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.490 112.0-119.3 -82.7 -4.0 50.0 -6.5 13.1 93 97 A G T <<5S- 0 0 70 -3,-0.6 2,-0.2 -4,-0.6 -3,-0.2 0.804 72.2 -45.2 70.7 29.1 53.1 -4.5 14.0 94 98 A G < - 0 0 7 -5,-3.1 2,-0.3 -6,-0.2 5,-0.1 -0.720 68.8-105.6 112.5-166.0 52.9 -2.4 10.9 95 99 A C - 0 0 21 -2,-0.2 4,-0.1 1,-0.1 5,-0.1 -0.912 14.1-120.4-153.0 176.5 52.4 -3.3 7.3 96 100 A E S S+ 0 0 182 -2,-0.3 3,-0.5 2,-0.1 -1,-0.1 0.868 98.6 57.3 -95.0 -43.5 54.3 -3.6 4.0 97 101 A A S S- 0 0 53 1,-0.3 2,-0.1 -35,-0.1 -1,-0.1 0.851 131.3 -1.5 -58.4 -41.2 52.7 -1.2 1.5 98 102 A L S S- 0 0 45 2,-0.0 -1,-0.3 -38,-0.0 -41,-0.1 -0.594 83.2-174.6-155.5 84.0 53.2 1.9 3.7 99 103 A D + 0 0 63 -3,-0.5 -3,-0.1 -2,-0.1 -5,-0.1 -0.390 5.5 177.6 -85.1 156.4 54.8 1.2 7.0 100 104 A M - 0 0 8 -2,-0.1 -5,-0.1 -5,-0.1 -84,-0.1 -0.980 31.6 -96.5-155.9 149.8 55.4 3.6 9.9 101 105 A P - 0 0 8 0, 0.0 -53,-0.1 0, 0.0 -7,-0.1 -0.273 43.6 -98.7 -69.0 152.5 56.8 3.3 13.5 102 106 A A - 0 0 48 1,-0.1 -74,-0.2 -9,-0.1 2,-0.2 -0.290 46.4-105.1 -65.4 153.2 54.8 2.9 16.6 103 107 A P - 0 0 5 0, 0.0 -74,-0.2 0, 0.0 3,-0.1 -0.485 20.6-165.7 -84.8 154.3 54.1 6.1 18.6 104 108 A D S S+ 0 0 65 -76,-3.9 2,-0.3 1,-0.4 -75,-0.2 0.492 84.4 7.8-107.8 -13.5 55.6 7.2 21.9 105 109 A F E S-b 29 0A 0 -77,-1.1 -75,-1.5 24,-0.2 -1,-0.4 -0.978 72.5-132.7-161.9 157.8 53.0 9.9 22.4 106 110 A L E -bc 30 131A 0 24,-2.2 26,-2.8 -2,-0.3 2,-0.5 -0.896 2.3-156.2-123.4 151.2 49.7 11.0 20.7 107 111 A L E -bc 31 132A 1 -77,-2.7 -75,-2.1 -2,-0.3 2,-0.4 -0.952 21.4-177.5-125.0 111.2 48.1 14.2 19.6 108 112 A C E + c 0 133A 0 24,-3.1 26,-2.8 -2,-0.5 2,-0.4 -0.919 12.8 171.4-119.5 133.4 44.4 14.3 19.5 109 113 A C E > - c 0 134A 0 -2,-0.4 3,-0.7 24,-0.2 -75,-0.3 -0.974 18.6-159.2-138.1 122.0 41.9 17.0 18.4 110 114 A N T 3 + 0 0 3 24,-0.8 25,-0.1 -2,-0.4 28,-0.1 0.147 64.4 106.8 -86.7 20.3 38.2 16.4 17.9 111 115 A N T 3 S+ 0 0 0 23,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.834 86.7 44.0 -68.6 -26.0 37.6 19.4 15.7 112 116 A I S < S- 0 0 16 -3,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.799 135.9 -42.0 -84.1 -31.0 37.2 16.9 12.8 113 117 A C - 0 0 18 -4,-0.2 -1,-0.3 231,-0.1 4,-0.1 -0.952 46.0-111.5 179.9 173.8 35.0 14.4 14.8 114 118 A N S >> S+ 0 0 16 -2,-0.3 3,-1.1 1,-0.1 4,-0.9 0.583 97.9 81.9-100.0 -11.9 34.7 12.8 18.2 115 119 A Q H 3> S+ 0 0 6 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.854 83.1 62.6 -61.2 -35.4 35.6 9.2 17.0 116 120 A V H 3> S+ 0 0 4 1,-0.2 4,-3.0 2,-0.2 -1,-0.3 0.803 95.2 63.7 -61.7 -25.0 39.3 10.0 17.2 117 121 A I H <> S+ 0 0 5 -3,-1.1 4,-2.1 2,-0.2 -1,-0.2 0.982 109.6 35.5 -61.4 -55.7 38.8 10.6 20.9 118 122 A K H X S+ 0 0 15 -4,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.921 116.9 55.2 -62.1 -45.7 37.8 6.9 21.6 119 123 A W H X S+ 0 0 4 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 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-16.3 64.1 1543 366 D Q H X S+ 0 0 60 -4,-2.7 4,-2.6 -5,-0.2 5,-0.2 0.968 112.1 45.7 -60.3 -50.3 49.8 -19.9 63.8 1544 367 D T H X S+ 0 0 92 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.828 112.7 51.8 -59.7 -34.4 46.4 -21.1 64.9 1545 368 D F H X S+ 0 0 8 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.919 109.5 48.8 -69.3 -45.0 44.8 -18.7 62.5 1546 369 D A H X S+ 0 0 11 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.933 112.3 48.0 -59.8 -48.7 46.9 -19.9 59.5 1547 370 D E H X S+ 0 0 118 -4,-2.6 4,-1.6 1,-0.2 3,-0.3 0.900 110.5 53.6 -59.1 -41.4 46.1 -23.5 60.3 1548 371 D M H < S+ 0 0 91 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.907 105.2 52.3 -61.7 -43.6 42.4 -22.6 60.5 1549 372 D M H < S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.775 105.7 56.9 -66.0 -25.6 42.4 -20.9 57.1 1550 373 D S H < 0 0 72 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.982 360.0 360.0 -68.4 -58.7 43.9 -24.0 55.5 1551 374 D L < 0 0 183 -4,-1.6 -3,-0.1 0, 0.0 -2,-0.1 0.938 360.0 360.0 -65.0 360.0 41.2 -26.5 56.6