==== 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 OXIDOREDUCTASE 12-AUG-03 1OLS . COMPND 2 MOLECULE: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.WYNN,M.MACHIUS,J.L.CHUANG,J.LI,D.R.TOMCHICK,D.T.CHUANG . 722 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31267.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 493 68.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 73 10.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 2.9 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 . 47 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 233 32.3 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 1 4 1 0 0 2 0 1 3 3 0 2 1 1 1 0 0 0 0 0 1 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 4 2 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 0 203 0, 0.0 9,-0.1 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 128.5 45.2 -2.6 45.0 2 7 A P - 0 0 33 0, 0.0 7,-0.2 0, 0.0 9,-0.0 -0.326 360.0-169.6 -59.2 135.5 48.7 -3.2 43.6 3 8 A Q + 0 0 157 5,-0.1 5,-0.0 -2,-0.0 0, 0.0 0.253 35.1 134.7-111.1 10.5 51.4 -1.4 45.7 4 9 A F > - 0 0 145 1,-0.1 3,-0.9 5,-0.1 5,-0.1 -0.377 48.6-148.2 -70.0 132.4 54.4 -1.8 43.4 5 10 A P T 3 S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.807 90.4 67.4 -68.1 -26.5 56.6 1.2 42.8 6 11 A G T 3 S+ 0 0 79 1,-0.1 2,-0.3 2,-0.0 -2,-0.0 0.670 110.1 10.8 -70.4 -16.5 57.6 0.2 39.3 7 12 A A < - 0 0 75 -3,-0.9 2,-0.6 2,-0.1 -1,-0.1 -0.989 60.5-129.0-157.7 162.0 54.1 0.6 37.7 8 13 A S + 0 0 129 -2,-0.3 2,-0.3 -5,-0.0 -5,-0.1 -0.970 56.6 117.0-117.1 113.9 50.7 1.9 38.1 9 14 A A - 0 0 68 -2,-0.6 2,-0.2 -7,-0.2 -5,-0.1 -0.985 57.3-103.4-165.9 171.3 48.0 -0.7 37.4 10 15 A E - 0 0 163 -2,-0.3 2,-0.2 -9,-0.1 -2,-0.0 -0.573 42.1-104.2 -97.7 166.4 45.1 -2.9 38.6 11 16 A F - 0 0 138 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.539 30.7-155.8 -83.6 157.4 45.4 -6.6 39.3 12 17 A I - 0 0 119 -2,-0.2 4,-0.0 1,-0.0 0, 0.0 -0.986 8.3-156.5-132.1 142.0 43.9 -9.0 36.8 13 18 A D S S+ 0 0 165 -2,-0.4 2,-0.4 2,-0.1 -1,-0.0 0.370 71.6 70.3-102.2 5.4 42.8 -12.5 37.8 14 19 A K S S- 0 0 129 2,-0.1 2,-0.7 0, 0.0 0, 0.0 -0.971 86.5-113.3-123.6 138.9 43.0 -14.2 34.4 15 20 A L + 0 0 141 -2,-0.4 2,-0.4 2,-0.0 -2,-0.1 -0.593 47.8 160.8 -74.8 111.8 46.3 -15.1 32.4 16 21 A E - 0 0 110 -2,-0.7 2,-0.2 -4,-0.0 -2,-0.1 -0.949 28.9-148.3-138.2 114.7 46.3 -12.9 29.3 17 22 A F - 0 0 183 -2,-0.4 2,-0.5 1,-0.1 -2,-0.0 -0.599 27.4-117.0 -79.6 142.5 49.4 -12.1 27.2 18 23 A I - 0 0 160 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.0 -0.699 29.0-148.7 -82.8 123.4 49.5 -8.7 25.6 19 24 A Q - 0 0 155 -2,-0.5 2,-0.1 1,-0.0 -1,-0.0 -0.762 14.4-119.4 -95.8 138.2 49.5 -9.0 21.8 20 25 A P - 0 0 99 0, 0.0 2,-0.9 0, 0.0 3,-0.2 -0.459 18.1-135.4 -71.0 145.2 51.2 -6.4 19.5 21 26 A N + 0 0 127 1,-0.2 5,-0.1 -2,-0.1 210,-0.0 -0.746 52.0 138.0-103.5 85.4 48.9 -4.7 17.0 22 27 A V > + 0 0 57 -2,-0.9 3,-0.8 3,-0.1 -1,-0.2 0.849 62.7 56.2 -97.8 -38.8 51.0 -4.8 13.9 23 28 A I T 3 S+ 0 0 168 1,-0.3 2,-0.4 -3,-0.2 -1,-0.1 0.859 122.2 32.9 -61.2 -36.5 48.5 -5.7 11.1 24 29 A S T 3 S+ 0 0 97 3,-0.0 -1,-0.3 0, 0.0 208,-0.1 -0.684 94.6 169.6-119.4 73.3 46.5 -2.7 12.1 25 30 A G < - 0 0 27 -3,-0.8 -3,-0.1 -2,-0.4 3,-0.1 0.025 48.9 -50.1 -75.8-174.8 49.2 -0.3 13.3 26 31 A I S S- 0 0 53 206,-0.2 -1,-0.2 -5,-0.1 210,-0.1 -0.375 73.9-108.9 -56.7 129.3 49.2 3.3 14.2 27 32 A P - 0 0 107 0, 0.0 2,-0.7 0, 0.0 220,-0.5 -0.231 26.4-111.7 -64.1 155.8 47.4 5.1 11.3 28 33 A I - 0 0 92 -3,-0.1 2,-0.3 218,-0.1 220,-0.2 -0.798 26.8-133.5 -95.0 112.4 49.3 7.3 8.8 29 34 A Y B +a 248 0A 52 218,-2.6 220,-2.7 -2,-0.7 2,-0.3 -0.497 30.3 178.6 -69.4 128.0 48.3 11.0 9.1 30 35 A R + 0 0 134 -2,-0.3 3,-0.1 218,-0.2 220,-0.0 -0.976 22.0 178.1-132.1 141.7 47.7 12.5 5.6 31 36 A V S S+ 0 0 1 1,-0.4 8,-2.9 -2,-0.3 9,-0.6 0.712 73.3 24.6-111.6 -38.9 46.6 16.1 4.7 32 37 A M B S-H 38 0B 0 6,-0.3 -1,-0.4 7,-0.1 6,-0.2 -0.943 76.3-123.8-129.3 151.4 46.5 16.0 0.9 33 38 A D > - 0 0 43 4,-2.0 3,-2.1 -2,-0.3 -2,-0.0 -0.188 42.8 -86.8 -82.2-177.5 46.0 13.2 -1.6 34 39 A R T 3 S+ 0 0 95 1,-0.3 269,-0.2 2,-0.1 276,-0.1 0.558 129.2 59.1 -66.7 -10.3 48.3 12.2 -4.4 35 40 A Q T 3 S- 0 0 132 2,-0.1 -1,-0.3 275,-0.1 -2,-0.0 0.261 120.3-109.6-100.5 8.9 46.5 14.7 -6.6 36 41 A G < + 0 0 0 -3,-2.1 2,-0.4 1,-0.2 -2,-0.1 0.699 69.7 145.8 72.1 20.5 47.6 17.5 -4.2 37 42 A Q - 0 0 87 1,-0.0 -4,-2.0 277,-0.0 2,-0.5 -0.769 55.9-116.1 -93.8 133.9 44.0 18.0 -2.9 38 43 A I B -H 32 0B 41 -2,-0.4 -6,-0.3 -6,-0.2 6,-0.1 -0.527 27.2-166.3 -68.0 118.2 43.4 19.0 0.7 39 44 A I S S+ 0 0 74 -8,-2.9 -1,-0.2 -2,-0.5 -7,-0.1 0.893 74.4 24.9 -74.6 -41.5 41.4 16.1 2.2 40 45 A N > - 0 0 74 -9,-0.6 3,-2.6 1,-0.1 4,-0.4 -0.934 67.1-153.6-132.8 106.0 40.2 17.7 5.4 41 46 A P G > S+ 0 0 99 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.829 93.9 63.4 -45.6 -41.3 39.8 21.5 5.5 42 47 A S G 3 S+ 0 0 95 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.675 105.2 49.0 -61.5 -14.0 40.3 21.6 9.3 43 48 A E G < S+ 0 0 69 -3,-2.6 -1,-0.3 -12,-0.1 215,-0.1 0.435 78.4 115.3-104.6 -3.2 43.8 20.3 8.7 44 49 A D < - 0 0 25 -3,-1.6 -12,-0.0 -4,-0.4 -6,-0.0 -0.535 54.2-156.2 -68.6 127.3 44.9 22.7 6.0 45 50 A P - 0 0 32 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.631 19.8-143.9 -79.2 -8.9 47.8 24.7 7.5 46 51 A H - 0 0 139 1,-0.1 3,-0.1 2,-0.0 -2,-0.1 0.941 24.1-169.0 44.2 56.6 47.0 27.5 4.9 47 52 A L - 0 0 13 1,-0.1 -1,-0.1 2,-0.1 5,-0.0 -0.511 28.7 -98.4 -71.7 144.4 50.7 28.3 4.6 48 53 A P >> - 0 0 84 0, 0.0 4,-2.4 0, 0.0 3,-0.5 -0.311 30.4-111.5 -64.7 150.7 51.3 31.6 2.7 49 54 A K H 3> S+ 0 0 103 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.854 114.8 54.2 -48.3 -48.1 52.2 31.4 -1.1 50 55 A E H 3> S+ 0 0 171 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.908 110.7 46.5 -58.9 -42.9 55.8 32.6 -0.7 51 56 A K H <> S+ 0 0 64 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.909 112.3 49.0 -67.2 -43.1 56.5 29.9 1.9 52 57 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.921 110.4 51.2 -65.3 -38.8 54.9 27.1 -0.1 53 58 A L H X S+ 0 0 32 -4,-2.8 4,-3.4 -5,-0.2 5,-0.2 0.893 108.8 52.2 -63.7 -36.6 56.9 28.2 -3.2 54 59 A K H X S+ 0 0 63 -4,-1.8 4,-2.2 -5,-0.2 5,-0.2 0.887 107.7 51.5 -65.6 -37.5 60.0 28.1 -1.1 55 60 A L H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.975 114.6 44.1 -62.3 -48.1 59.1 24.5 0.0 56 61 A Y H X S+ 0 0 0 -4,-2.8 4,-2.0 1,-0.2 5,-0.3 0.954 115.2 45.3 -60.3 -52.2 58.7 23.6 -3.6 57 62 A K H X S+ 0 0 79 -4,-3.4 4,-2.4 1,-0.2 5,-0.2 0.856 110.7 54.8 -63.3 -34.9 61.8 25.3 -5.0 58 63 A S H X S+ 0 0 9 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.941 110.5 44.9 -64.2 -45.6 64.0 24.0 -2.1 59 64 A M H X S+ 0 0 1 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.843 115.4 45.7 -74.0 -26.9 63.1 20.4 -2.8 60 65 A T H X S+ 0 0 15 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.844 112.1 52.3 -79.3 -34.7 63.5 20.7 -6.7 61 66 A L H X S+ 0 0 23 -4,-2.4 4,-2.3 -5,-0.3 -2,-0.2 0.925 110.2 49.6 -64.7 -40.1 66.8 22.6 -6.2 62 67 A L H X S+ 0 0 1 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.930 110.1 50.7 -61.8 -43.3 67.9 19.7 -3.9 63 68 A N H X S+ 0 0 16 -4,-1.6 4,-2.3 1,-0.2 -2,-0.2 0.900 109.5 50.1 -62.7 -39.0 66.8 17.2 -6.6 64 69 A T H X S+ 0 0 25 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.902 112.1 47.5 -65.8 -41.6 68.8 19.1 -9.3 65 70 A M H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 5,-0.3 0.916 109.6 54.2 -67.2 -40.2 71.9 19.0 -7.1 66 71 A D H X S+ 0 0 0 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.925 107.4 49.9 -57.4 -47.9 71.4 15.3 -6.3 67 72 A R H X S+ 0 0 162 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.941 114.8 44.1 -58.5 -47.6 71.3 14.5 -10.1 68 73 A I H X S+ 0 0 31 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.931 116.4 43.1 -66.1 -45.6 74.5 16.4 -10.7 69 74 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.879 110.3 57.4 -71.8 -33.3 76.5 15.2 -7.7 70 75 A Y H X S+ 0 0 55 -4,-2.8 4,-2.4 -5,-0.3 -1,-0.2 0.953 110.5 44.0 -59.1 -45.7 75.4 11.6 -8.2 71 76 A E H X S+ 0 0 96 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.893 108.9 58.1 -64.5 -38.6 76.8 11.7 -11.8 72 77 A S H <>S+ 0 0 2 -4,-2.2 5,-2.7 1,-0.2 6,-0.7 0.899 107.5 46.9 -59.5 -41.3 79.9 13.4 -10.5 73 78 A Q H ><5S+ 0 0 41 -4,-2.3 3,-4.4 1,-0.2 -2,-0.2 0.978 105.7 57.8 -64.3 -53.8 80.5 10.5 -8.2 74 79 A R H 3<5S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.825 108.6 48.7 -44.8 -35.4 79.9 7.9 -11.0 75 80 A Q T 3<5S- 0 0 100 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.476 117.7-115.6 -85.2 -2.0 82.7 9.7 -12.9 76 81 A G T < 5S+ 0 0 60 -3,-4.4 -3,-0.2 2,-0.3 -2,-0.1 0.675 80.7 125.1 75.9 16.8 85.0 9.5 -9.8 77 82 A R S > + 0 0 3 -22,-0.1 3,-2.7 -2,-0.1 4,-0.5 0.103 40.8 155.1-122.4 17.1 67.6 12.4 -1.1 85 90 A Y T 34 S+ 0 0 42 1,-0.3 198,-1.3 2,-0.2 199,-0.7 -0.286 76.2 6.1 -56.8 122.8 65.2 11.0 -3.7 86 91 A G T 34 S+ 0 0 0 196,-0.2 195,-0.4 197,-0.2 -1,-0.3 0.273 117.9 79.6 87.2 -9.3 61.8 10.5 -2.0 87 92 A E T <> + 0 0 0 -3,-2.7 4,-1.6 1,-0.1 -2,-0.2 0.343 60.5 99.1-107.3 2.7 63.0 12.2 1.2 88 93 A E H X S+ 0 0 0 -4,-0.5 4,-2.3 1,-0.2 5,-0.3 0.913 83.3 45.4 -61.1 -41.6 62.6 15.8 -0.1 89 94 A G H > S+ 0 0 0 1,-0.2 4,-2.0 2,-0.2 5,-0.3 0.833 107.2 56.3 -73.0 -32.5 59.2 16.4 1.5 90 95 A T H > S+ 0 0 0 160,-0.2 4,-1.3 -4,-0.2 -1,-0.2 0.877 113.9 43.1 -65.8 -34.7 60.0 15.0 4.9 91 96 A H H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 -2,-0.2 0.951 118.6 37.7 -78.9 -46.9 62.9 17.4 5.1 92 97 A V H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -3,-0.2 0.900 116.9 53.6 -70.4 -39.2 61.5 20.7 3.7 93 98 A G H X S+ 0 0 0 -4,-2.0 4,-0.6 -5,-0.3 -1,-0.2 0.904 115.5 38.5 -59.8 -45.5 58.2 20.1 5.5 94 99 A S H >< S+ 0 0 0 -4,-1.3 3,-0.8 -5,-0.3 4,-0.5 0.903 114.0 54.2 -75.0 -39.1 59.7 19.5 8.9 95 100 A A H >< S+ 0 0 2 -4,-2.4 3,-1.2 1,-0.2 -2,-0.2 0.884 103.8 57.0 -61.5 -34.9 62.4 22.2 8.5 96 101 A A H 3< S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.754 103.5 54.5 -66.7 -24.0 59.7 24.8 7.6 97 102 A A T << S+ 0 0 8 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.512 96.3 84.4 -86.4 -7.5 58.0 24.1 11.0 98 103 A L S < S- 0 0 13 -3,-1.2 2,-0.3 -4,-0.5 163,-0.1 -0.515 84.3-111.4 -93.0 164.1 61.1 24.8 13.0 99 104 A D > - 0 0 82 -2,-0.2 3,-1.9 1,-0.1 82,-0.1 -0.668 36.2-110.9 -87.2 151.2 62.4 28.1 14.2 100 105 A N T 3 S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.773 116.7 47.1 -53.3 -31.5 65.6 29.1 12.5 101 106 A T T 3 S+ 0 0 76 2,-0.1 -1,-0.3 0, 0.0 2,-0.1 0.433 77.8 119.9 -94.8 0.8 67.6 28.6 15.6 102 107 A D S < S- 0 0 0 -3,-1.9 2,-0.3 1,-0.1 80,-0.2 -0.479 70.9-117.4 -64.5 133.9 66.3 25.2 16.6 103 108 A L E -b 182 0A 8 78,-1.3 80,-2.3 -2,-0.1 2,-0.4 -0.601 28.1-153.8 -79.2 134.3 69.3 22.9 16.6 104 109 A V E -bc 183 152A 0 47,-2.6 49,-2.7 -2,-0.3 2,-0.4 -0.908 14.8-179.4-115.0 132.1 69.3 20.0 14.1 105 110 A F E +b 184 0A 3 78,-2.4 80,-2.6 -2,-0.4 2,-0.2 -0.951 28.4 125.3-119.0 144.2 71.1 16.7 14.5 106 111 A G - 0 0 4 -2,-0.4 50,-0.4 47,-0.3 56,-0.2 -0.780 41.0-128.7-164.6-153.5 70.7 14.1 11.7 107 112 A Q - 0 0 3 -2,-0.2 3,-0.4 48,-0.1 38,-0.2 -0.201 62.8 -20.4-139.9-109.9 72.6 12.0 9.3 108 113 A Y S S+ 0 0 40 1,-0.2 3,-0.3 -2,-0.1 -26,-0.1 0.745 121.1 47.8 -85.1 -24.9 72.8 11.3 5.6 109 114 A R S S+ 0 0 12 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 -0.015 83.5 88.9-110.9 30.6 69.4 12.3 4.3 110 115 A E >> + 0 0 0 -3,-0.4 3,-2.2 1,-0.2 4,-1.1 0.240 42.8 114.5-111.8 11.0 68.8 15.8 5.7 111 116 A A H 3> S+ 0 0 5 -3,-0.3 4,-2.7 1,-0.3 3,-0.3 0.851 72.3 64.8 -50.4 -38.5 70.4 18.0 3.1 112 117 A G H 3> S+ 0 0 1 1,-0.2 4,-2.5 -3,-0.2 -1,-0.3 0.762 95.5 57.6 -56.2 -27.3 67.0 19.4 2.4 113 118 A V H <> S+ 0 0 0 -3,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.927 109.7 43.8 -69.1 -44.4 66.9 20.9 5.9 114 119 A L H <>S+ 0 0 0 -4,-1.1 5,-2.4 -3,-0.3 -2,-0.2 0.917 112.7 52.9 -64.3 -44.6 70.1 22.8 5.1 115 120 A M H ><5S+ 0 0 10 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.937 108.3 49.3 -57.2 -47.8 68.8 23.8 1.7 116 121 A Y H 3<5S+ 0 0 29 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.868 108.1 55.1 -59.2 -37.6 65.6 25.2 3.3 117 122 A R T 3<5S- 0 0 18 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.194 122.9-110.4 -80.8 15.3 67.9 27.1 5.7 118 123 A D T < 5 + 0 0 98 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.765 49.0 177.6 62.9 34.6 69.6 28.6 2.6 119 124 A Y < - 0 0 14 -5,-2.4 -1,-0.2 1,-0.1 2,-0.1 -0.484 40.2-103.0 -64.5 135.0 72.9 26.8 3.0 120 125 A P >> - 0 0 45 0, 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0.930 110.8 43.4 -64.8 -45.5 104.6 1.4 45.1 619 234 B I H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.809 107.8 59.7 -72.6 -25.5 107.6 2.7 43.2 620 235 B R H X S+ 0 0 28 -4,-2.1 4,-1.4 2,-0.2 -1,-0.2 0.919 110.3 43.3 -63.9 -41.4 108.2 5.3 45.8 621 236 B E H X S+ 0 0 46 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.886 110.1 55.5 -69.8 -38.1 108.6 2.4 48.3 622 237 B V H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.868 103.7 55.8 -61.3 -36.4 110.7 0.5 45.8 623 238 B A H X S+ 0 0 1 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.909 108.1 48.3 -60.7 -43.1 113.0 3.5 45.6 624 239 B S H X S+ 0 0 72 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.906 111.3 49.3 -64.3 -44.2 113.5 3.3 49.4 625 240 B M H X S+ 0 0 13 -4,-2.4 4,-3.0 1,-0.2 5,-0.4 0.898 111.2 50.0 -64.2 -40.5 114.2 -0.4 49.2 626 241 B A H X>S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 6,-1.6 0.928 111.8 47.4 -64.8 -44.3 116.7 0.1 46.4 627 242 B K H X5S+ 0 0 158 -4,-2.3 4,-1.0 4,-0.3 -2,-0.2 0.918 119.6 39.0 -62.2 -44.4 118.5 2.8 48.3 628 243 B E H <5S+ 0 0 158 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 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1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.921 103.3 50.4 -61.6 -45.4 110.3 15.5 27.6 649 264 B T H > S+ 0 0 34 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.931 113.3 45.8 -61.1 -43.7 110.3 15.0 31.4 650 265 B I H X S+ 0 0 0 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.932 116.1 44.5 -65.2 -46.3 110.7 11.2 31.0 651 266 B C H X S+ 0 0 11 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.910 111.2 53.5 -64.0 -44.1 113.5 11.4 28.4 652 267 B K H X S+ 0 0 164 -4,-2.9 4,-1.2 -5,-0.3 -1,-0.2 0.910 111.6 47.0 -58.4 -40.4 115.3 14.2 30.3 653 268 B S H X S+ 0 0 3 -4,-2.0 4,-2.5 -5,-0.3 3,-0.3 0.931 113.4 46.6 -67.5 -44.5 115.3 11.9 33.3 654 269 B V H X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.821 105.0 60.5 -68.3 -30.2 116.5 8.9 31.4 655 270 B I H < S+ 0 0 90 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.894 112.4 41.1 -63.6 -34.8 119.2 10.9 29.7 656 271 B K H < S+ 0 0 109 -4,-1.2 -2,-0.2 -3,-0.3 -1,-0.2 0.946 126.3 30.1 -76.7 -50.6 120.6 11.6 33.2 657 272 B T H < S- 0 0 5 -4,-2.5 -3,-0.2 2,-0.1 -2,-0.2 0.798 86.3-147.1 -81.5 -30.5 120.1 8.1 34.8 658 273 B G < + 0 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