==== 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 OXIDOREDUCTASE 06-DEC-04 2BFB . COMPND 2 MOLECULE: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.MACHIUS,R.M.WYNN,J.L.CHUANG,D.R.TOMCHICK,C.A.BRAUTIGAM, D. . 699 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30734.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 483 69.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 10.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 40 5.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 232 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 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 2 3 1 0 0 1 1 1 3 3 0 2 1 1 1 0 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 1 5 1 2 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 PARALLEL BRIDGES PER LADDER . 2 2 1 1 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 . 2 0 0 1 0 1 1 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 6 A K 0 0 188 0, 0.0 9,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 -33.3 45.6 -2.3 45.1 2 7 A P - 0 0 31 0, 0.0 7,-0.2 0, 0.0 9,-0.0 -0.404 360.0-161.1 -62.0 142.9 49.2 -3.2 43.9 3 8 A Q + 0 0 172 -2,-0.1 5,-0.1 5,-0.1 0, 0.0 -0.093 38.6 136.1-115.2 27.1 51.8 -1.5 45.9 4 9 A F > - 0 0 148 3,-0.2 3,-0.9 5,-0.1 5,-0.1 -0.687 46.0-152.0 -90.4 129.2 54.8 -1.8 43.5 5 10 A P T 3 S+ 0 0 141 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.746 90.2 66.3 -66.3 -23.4 57.1 1.3 42.9 6 11 A G T 3 S+ 0 0 78 1,-0.1 2,-0.3 0, 0.0 -2,-0.0 0.725 111.2 12.0 -76.7 -19.3 58.0 0.2 39.4 7 12 A A < - 0 0 72 -3,-0.9 2,-0.5 2,-0.1 -3,-0.2 -0.987 60.2-131.2-156.9 159.0 54.6 0.5 37.8 8 13 A S + 0 0 130 -2,-0.3 2,-0.3 -5,-0.1 -5,-0.1 -0.977 57.1 121.7-115.6 111.3 51.1 1.9 38.3 9 14 A A - 0 0 68 -2,-0.5 2,-0.2 -7,-0.2 -5,-0.1 -0.988 55.2-109.5-166.9 158.6 48.5 -0.9 37.5 10 15 A E - 0 0 160 -2,-0.3 2,-0.2 -9,-0.1 -2,-0.0 -0.526 41.4-100.5 -87.1 169.4 45.6 -3.0 38.8 11 16 A F - 0 0 119 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.524 30.7-156.5 -76.9 156.4 45.8 -6.7 39.5 12 17 A I - 0 0 110 -2,-0.2 4,-0.1 1,-0.0 0, 0.0 -0.994 8.8-155.8-129.8 139.8 44.4 -9.2 37.0 13 18 A D S S+ 0 0 139 -2,-0.4 2,-0.3 2,-0.1 -2,-0.0 0.222 72.6 64.5-100.6 16.7 43.3 -12.7 38.0 14 19 A K S S- 0 0 115 2,-0.1 2,-0.5 0, 0.0 0, 0.0 -0.996 85.6-111.4-139.5 143.4 43.7 -14.5 34.6 15 20 A L + 0 0 147 -2,-0.3 2,-0.3 2,-0.0 -2,-0.1 -0.610 47.1 157.9 -78.0 121.7 46.9 -15.1 32.6 16 21 A E - 0 0 122 -2,-0.5 2,-0.2 -4,-0.1 -2,-0.1 -0.923 30.8-144.0-150.1 111.8 46.9 -13.1 29.4 17 22 A F - 0 0 190 -2,-0.3 2,-0.5 1,-0.1 -2,-0.0 -0.545 26.1-117.8 -70.9 145.5 49.9 -12.1 27.3 18 23 A I - 0 0 162 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.781 29.6-150.1 -87.0 125.3 49.8 -8.7 25.7 19 24 A Q - 0 0 175 -2,-0.5 2,-0.1 1,-0.0 0, 0.0 -0.809 12.6-121.2-101.2 136.2 49.9 -9.0 21.9 20 25 A P - 0 0 97 0, 0.0 2,-0.9 0, 0.0 3,-0.2 -0.501 18.0-133.4 -69.5 143.0 51.5 -6.3 19.7 21 26 A N + 0 0 100 1,-0.2 5,-0.1 -2,-0.1 211,-0.0 -0.812 49.5 142.9-100.3 95.4 49.2 -4.7 17.1 22 27 A V > + 0 0 61 -2,-0.9 3,-0.6 3,-0.1 -1,-0.2 0.780 61.0 59.6-103.8 -32.6 51.3 -4.9 13.9 23 28 A I T 3 S+ 0 0 168 1,-0.3 2,-0.5 -3,-0.2 -2,-0.1 0.879 120.4 29.1 -67.5 -38.8 48.8 -5.6 11.2 24 29 A S T 3 S+ 0 0 74 3,-0.0 -1,-0.3 0, 0.0 208,-0.1 -0.771 94.2 170.4-116.8 83.9 46.8 -2.5 12.0 25 30 A G < - 0 0 26 -3,-0.6 -3,-0.1 -2,-0.5 3,-0.1 0.076 47.8 -44.8 -82.3-163.4 49.5 -0.2 13.3 26 31 A I S S- 0 0 54 206,-0.2 -1,-0.2 -5,-0.1 209,-0.1 -0.437 74.7-111.3 -65.4 130.5 49.6 3.4 14.1 27 32 A P - 0 0 111 0, 0.0 2,-0.7 0, 0.0 220,-0.5 -0.234 25.1-110.2 -69.6 162.7 47.9 5.2 11.2 28 33 A I E -a 247 0A 94 218,-0.1 2,-0.3 -3,-0.1 220,-0.3 -0.805 28.0-131.4 -99.1 112.4 49.7 7.4 8.8 29 34 A Y E +a 248 0A 48 218,-2.7 220,-2.7 -2,-0.7 2,-0.3 -0.505 31.0 180.0 -68.7 130.5 48.9 11.1 9.1 30 35 A R + 0 0 134 -2,-0.3 3,-0.1 218,-0.2 220,-0.0 -0.932 23.9 173.7-131.0 143.4 48.1 12.7 5.7 31 36 A V S S+ 0 0 2 1,-0.4 8,-2.8 -2,-0.3 9,-0.5 0.649 74.4 28.8-116.8 -42.4 47.1 16.3 4.7 32 37 A M B S-H 38 0B 1 6,-0.2 -1,-0.4 7,-0.1 6,-0.2 -0.941 75.7-128.6-122.5 145.9 47.0 16.2 0.9 33 38 A D > - 0 0 42 4,-2.6 3,-2.1 -2,-0.4 -2,-0.0 -0.139 42.5 -86.3 -75.9-177.3 46.3 13.3 -1.4 34 39 A R T 3 S+ 0 0 137 1,-0.3 251,-0.1 2,-0.2 258,-0.1 0.709 129.0 57.6 -65.7 -19.5 48.5 12.2 -4.4 35 40 A Q T 3 S- 0 0 105 2,-0.1 -1,-0.3 257,-0.1 -2,-0.0 0.264 121.9-107.3 -89.2 9.5 46.8 14.8 -6.6 36 41 A G S < S+ 0 0 1 -3,-2.1 2,-0.4 1,-0.2 -2,-0.2 0.755 72.0 145.5 72.5 24.2 47.8 17.5 -4.2 37 42 A Q - 0 0 88 259,-0.0 -4,-2.6 1,-0.0 2,-0.3 -0.825 54.7-116.8 -98.8 136.7 44.3 18.0 -2.9 38 43 A I B -H 32 0B 45 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.0 -0.535 25.4-165.1 -69.7 129.5 43.7 19.0 0.8 39 44 A I S S+ 0 0 75 -8,-2.8 -1,-0.1 -2,-0.3 -7,-0.1 0.847 75.0 23.7 -86.7 -36.8 41.8 16.1 2.4 40 45 A N > - 0 0 74 -9,-0.5 3,-2.8 1,-0.1 4,-0.5 -0.904 67.9-154.6-139.0 100.8 40.5 17.7 5.6 41 46 A P G > S+ 0 0 96 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.787 91.9 63.5 -52.7 -32.8 40.2 21.5 5.6 42 47 A S G 3 S+ 0 0 99 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.684 103.7 50.5 -66.9 -14.5 40.6 21.9 9.4 43 48 A E G < S+ 0 0 78 -3,-2.8 -1,-0.3 -12,-0.1 215,-0.1 0.466 79.5 114.9 -98.4 -6.8 44.2 20.4 9.0 44 49 A D < - 0 0 23 -3,-1.3 211,-0.0 -4,-0.5 -12,-0.0 -0.503 54.7-156.8 -66.4 123.6 45.3 22.8 6.2 45 50 A P - 0 0 35 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.641 22.6-143.2 -75.9 -10.0 48.1 25.0 7.7 46 51 A H - 0 0 134 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.916 23.5-167.8 44.4 53.4 47.3 27.6 5.0 47 52 A L - 0 0 13 1,-0.1 -1,-0.1 2,-0.1 5,-0.0 -0.443 25.9-102.8 -63.5 142.5 51.0 28.5 4.5 48 53 A P > - 0 0 84 0, 0.0 4,-2.3 0, 0.0 3,-0.4 -0.259 29.3-107.1 -69.3 160.1 51.4 31.7 2.4 49 54 A K H > S+ 0 0 103 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.870 116.6 54.2 -56.5 -45.5 52.5 31.5 -1.2 50 55 A E H > S+ 0 0 170 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.894 111.5 45.3 -58.5 -42.8 56.1 32.7 -0.6 51 56 A K H > S+ 0 0 51 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.905 113.1 49.1 -66.8 -44.4 56.7 30.0 2.0 52 57 A V H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.920 110.7 50.5 -65.5 -41.7 55.2 27.2 -0.1 53 58 A L H X S+ 0 0 29 -4,-2.9 4,-3.2 1,-0.2 5,-0.3 0.895 108.6 53.5 -57.0 -41.8 57.2 28.3 -3.1 54 59 A K H X S+ 0 0 63 -4,-1.9 4,-2.5 -5,-0.2 -2,-0.2 0.907 107.5 50.4 -61.9 -42.0 60.3 28.2 -0.9 55 60 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.962 114.6 45.1 -57.9 -48.0 59.4 24.6 0.1 56 61 A Y H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.926 114.8 45.2 -64.5 -46.0 59.1 23.7 -3.5 57 62 A K H X S+ 0 0 73 -4,-3.2 4,-2.5 1,-0.2 5,-0.2 0.876 111.3 54.0 -71.9 -31.5 62.3 25.5 -4.8 58 63 A S H X S+ 0 0 8 -4,-2.5 4,-2.1 -5,-0.3 -1,-0.2 0.933 111.7 45.3 -61.1 -47.9 64.3 24.1 -1.9 59 64 A M H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.927 116.7 43.6 -61.6 -48.6 63.2 20.5 -2.7 60 65 A T H X S+ 0 0 15 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.888 111.4 53.5 -71.0 -35.9 63.9 20.8 -6.5 61 66 A L H X S+ 0 0 24 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.922 109.8 49.5 -61.9 -42.9 67.2 22.7 -6.0 62 67 A L H X S+ 0 0 1 -4,-2.1 4,-2.9 -5,-0.2 -2,-0.2 0.928 110.8 50.0 -58.6 -43.3 68.3 19.7 -3.8 63 68 A N H X S+ 0 0 19 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.923 109.7 50.3 -65.2 -40.5 67.2 17.3 -6.5 64 69 A T H X S+ 0 0 25 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.901 112.3 47.2 -59.4 -45.6 69.1 19.3 -9.2 65 70 A M H X S+ 0 0 0 -4,-2.4 4,-3.0 1,-0.2 5,-0.3 0.920 109.0 54.8 -67.1 -44.0 72.3 19.2 -7.0 66 71 A D H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.3 0.902 106.9 51.5 -48.5 -48.5 71.8 15.4 -6.3 67 72 A R H X S+ 0 0 152 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.911 114.2 41.9 -60.0 -44.7 71.7 14.7 -10.1 68 73 A I H X S+ 0 0 31 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.919 117.5 44.3 -72.0 -45.4 74.9 16.6 -10.8 69 74 A L H X S+ 0 0 0 -4,-3.0 4,-2.6 2,-0.2 -2,-0.2 0.862 109.9 56.1 -73.2 -30.9 76.9 15.4 -7.8 70 75 A Y H X S+ 0 0 105 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.957 110.1 45.7 -63.1 -44.3 75.7 11.8 -8.3 71 76 A E H X S+ 0 0 97 -4,-1.7 4,-1.5 -5,-0.3 -2,-0.2 0.897 109.9 55.2 -61.9 -38.2 77.1 12.0 -11.9 72 77 A S H <>S+ 0 0 2 -4,-2.2 5,-2.5 1,-0.2 6,-0.7 0.919 107.8 49.1 -61.0 -41.0 80.3 13.6 -10.6 73 78 A Q H ><5S+ 0 0 41 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.922 105.1 57.4 -63.7 -45.2 80.7 10.6 -8.2 74 79 A R H 3<5S+ 0 0 134 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.802 109.4 47.1 -58.1 -29.4 80.2 8.1 -11.1 75 80 A Q T 3<5S- 0 0 101 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.484 115.6-116.2 -88.9 -3.5 83.1 9.7 -12.8 76 81 A G T < 5S+ 0 0 58 -3,-1.9 -3,-0.2 -4,-0.3 -2,-0.1 0.669 79.5 127.4 73.2 17.6 85.3 9.7 -9.7 77 82 A R S > + 0 0 0 -22,-0.1 3,-2.6 -21,-0.1 4,-0.6 0.085 42.1 153.6-115.7 16.1 68.3 12.7 -1.1 85 90 A Y T 34 S+ 0 0 87 1,-0.3 -2,-0.0 2,-0.2 200,-0.0 -0.315 76.7 7.8 -61.4 127.7 65.7 11.1 -3.6 86 91 A G T 34 S+ 0 0 9 196,-0.1 -1,-0.3 194,-0.1 4,-0.3 0.249 117.4 81.4 85.0 -14.6 62.4 10.6 -1.8 87 92 A E T <> + 0 0 2 -3,-2.6 4,-2.1 1,-0.1 5,-0.3 0.504 60.8 95.0 -94.1 -11.6 63.7 12.5 1.3 88 93 A E H X S+ 0 0 0 -4,-0.6 4,-2.3 1,-0.2 5,-0.3 0.860 85.6 44.9 -60.5 -42.4 63.1 16.0 -0.0 89 94 A G H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.3 0.879 110.2 51.8 -71.7 -39.9 59.7 16.5 1.6 90 95 A T H > S+ 0 0 0 160,-0.3 4,-1.5 -4,-0.3 5,-0.2 0.904 117.0 41.0 -62.7 -39.6 60.5 15.1 5.1 91 96 A H H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.927 120.0 39.1 -77.1 -42.4 63.5 17.4 5.3 92 97 A V H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.3 -3,-0.2 0.890 117.4 51.1 -75.3 -34.3 62.2 20.6 3.8 93 98 A G H X S+ 0 0 0 -4,-2.1 4,-0.7 -5,-0.3 -2,-0.2 0.913 115.7 40.9 -66.8 -44.4 58.8 20.2 5.5 94 99 A S H >X S+ 0 0 0 -4,-1.5 3,-1.1 -5,-0.3 4,-0.5 0.922 112.5 53.9 -72.3 -41.2 60.3 19.7 8.9 95 100 A A H >< S+ 0 0 2 -4,-2.2 3,-1.4 1,-0.3 -2,-0.2 0.908 104.9 56.5 -60.0 -37.9 63.0 22.3 8.6 96 101 A A H 3< S+ 0 0 5 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.750 103.8 53.4 -64.3 -25.7 60.2 24.9 7.7 97 102 A A H << S+ 0 0 1 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.485 98.2 85.8 -88.0 -7.6 58.4 24.1 11.0 98 103 A L S << S- 0 0 16 -3,-1.4 2,-0.2 -4,-0.5 163,-0.1 -0.515 84.8-108.2 -89.5 160.2 61.6 24.8 13.0 99 104 A D > - 0 0 71 -2,-0.2 3,-1.5 1,-0.1 -2,-0.1 -0.613 34.8-114.5 -73.0 149.2 62.9 28.1 14.4 100 105 A N T 3 S+ 0 0 119 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.812 116.5 46.7 -54.0 -33.2 66.1 29.2 12.5 101 106 A T T 3 S+ 0 0 63 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.405 79.2 120.6 -95.7 0.9 68.1 28.7 15.7 102 107 A D S < S- 0 0 0 -3,-1.5 2,-0.3 1,-0.1 80,-0.2 -0.474 70.2-115.9 -65.6 133.0 66.8 25.3 16.6 103 108 A L E -b 182 0A 8 78,-0.8 80,-2.6 -2,-0.2 2,-0.5 -0.572 28.1-153.8 -82.0 131.9 69.8 22.9 16.7 104 109 A V E -bc 183 152A 0 47,-2.6 49,-3.0 -2,-0.3 2,-0.4 -0.899 13.3-177.5-111.1 127.5 69.8 20.0 14.2 105 110 A F E +b 184 0A 2 78,-2.6 80,-2.7 -2,-0.5 2,-0.2 -0.964 26.3 141.7-115.1 141.6 71.6 16.7 14.6 106 111 A G - 0 0 4 -2,-0.4 50,-0.4 47,-0.4 56,-0.2 -0.731 41.3-116.4-153.6-159.5 71.4 14.3 11.7 107 112 A A > - 0 0 8 -2,-0.2 3,-0.7 48,-0.1 48,-0.1 -0.282 63.6 -58.6-134.7-144.4 72.9 11.6 9.4 108 113 A Y T 3 S+ 0 0 62 1,-0.2 3,-0.2 -2,-0.1 -26,-0.1 0.383 122.6 63.8 -97.7 14.0 73.6 11.6 5.7 109 114 A R T 3 S+ 0 0 28 1,-0.1 3,-0.4 2,-0.1 -1,-0.2 0.156 79.3 87.7-109.8 16.5 70.1 12.3 4.4 110 115 A E X> + 0 0 0 -3,-0.7 3,-1.6 1,-0.2 4,-1.0 0.269 43.1 111.1-106.5 11.5 69.7 15.7 6.0 111 116 A A H 3> S+ 0 0 3 1,-0.3 4,-2.5 -3,-0.2 -1,-0.2 0.791 71.7 66.8 -53.8 -33.8 71.1 18.0 3.3 112 117 A G H 3> S+ 0 0 0 -3,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.782 94.0 57.6 -59.7 -30.2 67.6 19.4 2.6 113 118 A V H <> S+ 0 0 0 -3,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.927 109.7 44.4 -63.8 -46.3 67.5 21.0 6.1 114 119 A L H <>S+ 0 0 0 -4,-1.0 5,-2.5 2,-0.2 -2,-0.2 0.912 111.4 53.5 -61.5 -42.2 70.7 22.9 5.2 115 120 A M H ><5S+ 0 0 9 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.939 109.2 48.7 -60.3 -45.3 69.2 23.8 1.7 116 121 A Y H 3<5S+ 0 0 30 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.890 107.7 55.7 -58.1 -38.6 66.0 25.2 3.5 117 122 A R T 3<5S- 0 0 21 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.209 122.4-109.3 -81.5 16.4 68.3 27.2 5.8 118 123 A D T < 5 + 0 0 102 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.755 49.6 177.8 61.7 34.5 70.0 28.7 2.7 119 124 A Y < - 0 0 14 -5,-2.5 -1,-0.2 -6,-0.1 5,-0.1 -0.478 39.0-105.0 -64.7 129.5 73.3 26.9 3.0 120 125 A 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B F H > S+ 0 0 44 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.931 117.4 43.1 -57.0 -44.2 96.3 17.2 46.5 529 170 B Q H > S+ 0 0 9 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.920 111.0 55.7 -70.9 -37.7 97.2 15.9 43.0 530 171 B A H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 5,-0.2 0.920 108.6 45.4 -63.1 -45.2 93.6 14.7 42.3 531 172 B K H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.941 116.5 45.3 -68.2 -42.4 91.9 18.1 43.0 532 173 B G H X S+ 0 0 0 -4,-1.6 4,-1.7 -5,-0.2 35,-1.7 0.888 117.7 43.3 -67.7 -41.8 94.5 20.1 41.0 533 174 B L H X S+ 0 0 0 -4,-2.9 4,-2.4 33,-0.2 -1,-0.2 0.874 113.6 50.8 -71.4 -36.3 94.5 17.7 38.0 534 175 B L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.2 0.922 108.9 51.2 -70.5 -43.8 90.7 17.3 38.0 535 176 B L H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 -1,-0.2 0.914 111.1 49.7 -56.7 -42.5 90.2 21.1 38.0 536 177 B S H X S+ 0 0 13 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.899 110.8 48.8 -60.5 -46.6 92.6 21.2 35.0 537 178 B C H < S+ 0 0 0 -4,-2.4 5,-0.3 2,-0.2 -2,-0.2 0.914 110.8 50.5 -54.5 -48.6 90.7 18.5 33.2 538 179 B I H < S+ 0 0 7 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.908 118.6 38.0 -62.7 -39.4 87.3 20.2 33.8 539 180 B E H < S+ 0 0 66 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.629 91.7 106.7 -84.3 -18.3 88.7 23.5 32.5 540 181 B D S < S- 0 0 34 -4,-1.6 2,-0.4 -5,-0.2 4,-0.1 -0.376 74.7-128.3 -64.1 143.7 90.8 22.1 29.6 541 182 B K S S+ 0 0 123 -53,-0.1 -201,-0.3 2,-0.1 -54,-0.2 -0.101 84.6 73.2 -89.4 39.7 89.3 22.7 26.2 542 183 B N S S- 0 0 6 -55,-0.6 2,-0.2 -2,-0.4 -55,-0.1 -0.984 96.7 -91.6-146.2 149.6 89.5 19.0 25.2 543 184 B P - 0 0 11 0, 0.0 -23,-2.0 0, 0.0 2,-0.4 -0.486 51.9-166.2 -64.7 131.5 87.4 16.0 26.3 544 185 B C E -op 490 520F 2 -55,-1.6 -53,-2.9 -25,-0.2 2,-0.5 -0.955 21.3-150.7-124.6 143.0 89.3 14.4 29.2 545 186 B I E -op 491 521F 2 -25,-2.8 -23,-2.5 -2,-0.4 2,-0.6 -0.957 16.2-164.5-108.6 125.8 89.1 11.1 31.0 546 187 B F E -op 492 522F 0 -55,-3.3 -53,-2.2 -2,-0.5 2,-0.6 -0.947 3.4-158.4-115.8 113.0 90.1 11.4 34.7 547 188 B F E -o 493 0F 0 -25,-2.5 -55,-0.1 -2,-0.6 40,-0.1 -0.829 3.0-157.5 -98.1 121.9 90.8 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