==== 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 16-AUG-04 1X80 . COMPND 2 MOLECULE: 2-OXOISOVALERATE DEHYDROGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.M.WYNN,M.KATO,M.MACHIUS,J.L.CHUANG,J.LI,D.R.TOMCHICK,D.T.C . 698 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 472 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 10.3 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 . 39 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 32.8 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 1 1 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 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 7 A P 0 0 62 0, 0.0 7,-0.2 0, 0.0 9,-0.0 0.000 360.0 360.0 360.0 134.5 48.8 -2.9 43.9 2 8 A Q + 0 0 183 5,-0.1 5,-0.1 0, 0.0 0, 0.0 0.031 360.0 133.2-116.2 26.8 51.7 -1.2 45.8 3 9 A F > - 0 0 151 3,-0.2 3,-0.8 5,-0.1 5,-0.1 -0.651 47.2-150.2 -90.5 130.2 54.6 -1.5 43.4 4 10 A P T 3 S+ 0 0 138 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.687 91.5 63.3 -69.6 -20.0 56.8 1.5 42.7 5 11 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 0, 0.0 -2,-0.0 0.764 110.6 24.1 -76.6 -25.3 57.7 0.5 39.2 6 12 A A < - 0 0 69 -3,-0.8 2,-0.6 2,-0.1 -3,-0.2 -0.999 58.3-139.9-148.5 143.1 54.1 0.6 37.8 7 13 A S + 0 0 134 -2,-0.3 2,-0.3 -3,-0.1 -5,-0.1 -0.917 57.7 120.0 -97.1 114.8 50.6 2.2 38.3 8 14 A A - 0 0 63 -2,-0.6 2,-0.1 -7,-0.2 -5,-0.1 -0.980 56.0-112.6-170.2 161.9 48.1 -0.6 37.5 9 15 A E - 0 0 172 -2,-0.3 2,-0.2 1,-0.1 -2,-0.0 -0.427 40.9-100.9 -91.4 172.5 45.3 -2.8 38.8 10 16 A F - 0 0 158 -2,-0.1 2,-0.4 -9,-0.0 -1,-0.1 -0.590 28.8-155.2 -82.6 158.5 45.5 -6.5 39.4 11 17 A I - 0 0 112 -2,-0.2 4,-0.0 1,-0.0 3,-0.0 -0.987 8.4-159.5-127.0 148.2 44.0 -8.9 36.9 12 18 A D S S+ 0 0 140 -2,-0.4 2,-0.4 2,-0.0 -1,-0.0 0.323 72.2 74.1-108.4 9.6 42.9 -12.4 38.0 13 19 A K S S- 0 0 118 2,-0.1 2,-0.6 0, 0.0 -1,-0.0 -0.987 84.9-118.7-123.8 129.3 43.1 -14.0 34.5 14 20 A L + 0 0 150 -2,-0.4 2,-0.4 1,-0.0 -2,-0.0 -0.552 46.8 160.0 -68.6 112.7 46.3 -14.9 32.7 15 21 A E - 0 0 127 -2,-0.6 2,-0.2 -4,-0.0 -2,-0.1 -0.900 30.0-147.4-140.2 112.7 46.4 -12.8 29.5 16 22 A F - 0 0 189 -2,-0.4 2,-0.4 1,-0.1 -2,-0.0 -0.500 26.8-118.3 -74.1 141.4 49.5 -12.0 27.4 17 23 A I - 0 0 162 -2,-0.2 -1,-0.1 1,-0.0 -2,-0.0 -0.739 30.0-149.6 -86.7 129.4 49.5 -8.7 25.7 18 24 A Q - 0 0 173 -2,-0.4 2,-0.2 1,-0.0 -1,-0.0 -0.758 13.0-117.5-104.6 141.7 49.7 -9.0 22.0 19 25 A P - 0 0 95 0, 0.0 2,-1.0 0, 0.0 3,-0.2 -0.558 18.1-137.5 -71.5 137.8 51.2 -6.5 19.5 20 26 A N + 0 0 104 -2,-0.2 5,-0.1 1,-0.2 211,-0.1 -0.779 48.4 142.8 -94.5 94.6 48.9 -4.9 17.0 21 27 A V > + 0 0 67 -2,-1.0 3,-0.6 3,-0.1 -1,-0.2 0.850 62.1 56.6 -99.4 -44.5 51.0 -5.1 13.9 22 28 A I T 3 S+ 0 0 172 1,-0.3 2,-0.5 -3,-0.2 -2,-0.1 0.864 119.2 34.8 -58.4 -40.6 48.5 -5.9 11.1 23 29 A S T 3 S+ 0 0 84 3,-0.0 -1,-0.3 0, 0.0 208,-0.1 -0.710 93.9 171.6-115.9 81.8 46.4 -2.8 12.0 24 30 A G < - 0 0 26 -3,-0.6 -3,-0.1 -2,-0.5 3,-0.1 0.006 45.9 -51.1 -84.3-172.7 49.1 -0.3 13.1 25 31 A I S S- 0 0 52 206,-0.2 -1,-0.2 -5,-0.1 209,-0.1 -0.399 73.0-115.4 -58.3 124.2 49.3 3.3 14.0 26 32 A P - 0 0 108 0, 0.0 2,-0.6 0, 0.0 220,-0.5 -0.218 23.6-108.4 -70.1 165.6 47.5 5.0 11.0 27 33 A I - 0 0 90 218,-0.1 2,-0.4 -3,-0.1 220,-0.2 -0.829 26.5-132.5-103.5 115.5 49.3 7.3 8.6 28 34 A Y B +a 247 0A 47 218,-2.7 220,-2.3 -2,-0.6 2,-0.3 -0.495 30.7 178.1 -69.6 125.0 48.4 10.9 8.9 29 35 A R + 0 0 128 -2,-0.4 3,-0.1 218,-0.2 220,-0.0 -0.957 22.5 176.0-130.1 142.1 47.7 12.4 5.5 30 36 A V S S+ 0 0 2 -2,-0.3 8,-3.1 1,-0.3 9,-0.5 0.719 74.5 30.5-109.2 -46.0 46.7 16.0 4.5 31 37 A M B S-H 37 0B 0 6,-0.2 -1,-0.3 7,-0.1 6,-0.2 -0.914 75.5-131.6-124.0 144.4 46.7 15.9 0.7 32 38 A D > - 0 0 41 4,-2.8 3,-1.9 -2,-0.4 -2,-0.1 -0.077 43.5 -83.4 -81.2-170.2 45.9 13.0 -1.6 33 39 A R T 3 S+ 0 0 148 1,-0.3 258,-0.1 2,-0.1 251,-0.1 0.713 129.2 56.5 -72.4 -18.6 48.0 11.9 -4.7 34 40 A Q T 3 S- 0 0 120 2,-0.1 -1,-0.3 257,-0.1 3,-0.1 0.283 122.1-105.2 -91.7 10.3 46.4 14.5 -6.8 35 41 A G S < S+ 0 0 1 -3,-1.9 2,-0.4 1,-0.3 -2,-0.1 0.693 72.5 147.2 75.1 16.8 47.4 17.3 -4.5 36 42 A Q - 0 0 101 1,-0.0 -4,-2.8 259,-0.0 2,-0.4 -0.761 53.4-121.4 -91.1 129.9 43.9 17.6 -3.1 37 43 A I B -H 31 0B 41 -2,-0.4 -6,-0.2 -6,-0.2 -7,-0.1 -0.563 24.2-161.4 -68.9 125.6 43.4 18.6 0.6 38 44 A I S S+ 0 0 68 -8,-3.1 -1,-0.2 -2,-0.4 -7,-0.1 0.786 75.3 20.5 -85.0 -31.0 41.4 15.7 2.1 39 45 A N > - 0 0 77 -9,-0.5 3,-2.9 1,-0.1 4,-0.4 -0.885 68.7-153.6-145.6 100.9 40.0 17.3 5.2 40 46 A P G > S+ 0 0 99 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.758 91.6 67.9 -57.3 -25.9 39.9 21.2 5.2 41 47 A S G 3 S+ 0 0 95 1,-0.3 -3,-0.0 -3,-0.1 0, 0.0 0.618 101.7 48.7 -69.7 -9.8 40.1 21.4 8.9 42 48 A E G < S+ 0 0 79 -3,-2.9 -1,-0.3 -12,-0.1 215,-0.1 0.371 80.8 120.7-104.2 -2.8 43.7 20.1 8.7 43 49 A D < - 0 0 28 -3,-1.4 211,-0.0 -4,-0.4 -12,-0.0 -0.467 51.5-157.4 -66.0 128.9 44.8 22.4 6.0 44 50 A P - 0 0 30 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.647 19.5-146.4 -80.0 -10.9 47.8 24.6 7.2 45 51 A H - 0 0 135 1,-0.1 -2,-0.0 3,-0.0 3,-0.0 0.947 21.3-168.2 38.5 67.0 47.0 27.3 4.6 46 52 A L - 0 0 11 1,-0.1 -1,-0.1 2,-0.1 2,-0.1 -0.615 28.0-103.0 -76.8 142.7 50.7 28.1 4.2 47 53 A P > - 0 0 70 0, 0.0 4,-2.1 0, 0.0 3,-0.4 -0.449 29.9-108.4 -70.2 158.1 51.1 31.3 2.2 48 54 A K H > S+ 0 0 90 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.824 114.8 53.8 -58.3 -43.9 52.1 31.1 -1.4 49 55 A E H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.917 111.3 45.5 -64.1 -41.1 55.6 32.4 -1.0 50 56 A K H > S+ 0 0 54 -3,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.932 112.5 50.3 -67.8 -44.0 56.4 29.8 1.6 51 57 A V H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.863 110.1 50.4 -61.4 -37.1 54.9 26.9 -0.3 52 58 A L H X S+ 0 0 34 -4,-2.4 4,-3.0 2,-0.2 -1,-0.2 0.875 107.3 54.4 -68.7 -37.3 56.8 27.9 -3.4 53 59 A K H X S+ 0 0 64 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.901 107.9 50.5 -60.3 -44.7 60.0 28.0 -1.3 54 60 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.934 113.2 45.7 -54.2 -48.7 59.2 24.5 -0.3 55 61 A Y H X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.936 114.0 46.8 -64.4 -46.8 58.7 23.5 -3.9 56 62 A K H X S+ 0 0 79 -4,-3.0 4,-2.1 2,-0.2 5,-0.2 0.852 111.7 50.5 -66.4 -33.9 61.8 25.2 -5.1 57 63 A S H X S+ 0 0 10 -4,-2.2 4,-2.2 -5,-0.2 5,-0.2 0.923 111.5 49.1 -70.0 -43.1 64.0 23.8 -2.3 58 64 A M H X S+ 0 0 0 -4,-2.2 4,-2.0 -5,-0.2 -2,-0.2 0.956 116.3 42.0 -58.9 -49.0 62.7 20.2 -3.0 59 65 A T H X S+ 0 0 16 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.823 113.0 51.2 -71.1 -36.5 63.4 20.5 -6.7 60 66 A L H X S+ 0 0 22 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.884 109.4 51.9 -67.8 -38.2 66.8 22.3 -6.4 61 67 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.2 -2,-0.2 0.959 109.5 50.5 -59.4 -43.2 67.9 19.6 -4.1 62 68 A N H X S+ 0 0 24 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.919 108.8 50.7 -64.4 -40.3 66.8 17.0 -6.7 63 69 A T H X S+ 0 0 24 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.924 111.3 48.2 -58.8 -44.2 68.7 18.8 -9.4 64 70 A M H X S+ 0 0 0 -4,-2.5 4,-3.2 1,-0.2 5,-0.3 0.920 109.4 53.9 -67.6 -40.0 71.9 18.8 -7.3 65 71 A D H X S+ 0 0 0 -4,-2.6 4,-2.4 -5,-0.2 5,-0.2 0.890 107.0 51.7 -57.3 -43.9 71.4 15.1 -6.5 66 72 A R H X S+ 0 0 165 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.909 114.2 42.5 -60.8 -45.3 71.2 14.3 -10.2 67 73 A I H X S+ 0 0 31 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.960 117.7 43.2 -71.4 -49.6 74.4 16.1 -10.9 68 74 A L H X S+ 0 0 0 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.838 111.3 55.6 -68.1 -33.2 76.4 14.9 -7.9 69 75 A Y H X S+ 0 0 98 -4,-2.4 4,-2.3 -5,-0.3 -1,-0.2 0.950 109.7 45.8 -62.0 -46.2 75.2 11.4 -8.3 70 76 A E H X S+ 0 0 99 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.891 109.3 56.8 -64.2 -37.6 76.4 11.3 -11.9 71 77 A S H <>S+ 0 0 2 -4,-2.1 5,-2.0 2,-0.2 6,-0.8 0.879 106.6 49.4 -57.3 -41.1 79.7 12.8 -10.7 72 78 A Q H ><5S+ 0 0 44 -4,-2.2 3,-2.5 1,-0.2 -2,-0.2 0.970 107.6 54.1 -63.5 -48.7 80.1 9.9 -8.3 73 79 A R H 3<5S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.767 108.8 49.3 -57.4 -27.7 79.4 7.4 -11.1 74 80 A Q T 3<5S- 0 0 99 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.424 116.4-116.6 -89.1 -2.0 82.2 9.0 -13.1 75 81 A G T < 5S+ 0 0 61 -3,-2.5 -3,-0.2 2,-0.2 -2,-0.1 0.544 79.2 125.4 75.4 12.7 84.6 8.8 -10.2 76 82 A R S + 0 0 3 -22,-0.1 3,-2.6 -2,-0.1 4,-0.3 0.175 45.1 149.2-115.8 12.1 67.8 12.5 -1.2 84 90 A Y T 3 S+ 0 0 84 1,-0.3 -2,-0.0 2,-0.2 200,-0.0 -0.284 78.0 9.2 -57.9 128.9 65.3 10.9 -3.6 85 91 A G T 3 S+ 0 0 9 196,-0.1 -1,-0.3 194,-0.1 195,-0.2 0.287 118.7 78.5 81.9 -12.0 62.0 10.3 -1.8 86 92 A E <> + 0 0 4 -3,-2.6 4,-1.3 2,-0.1 5,-0.2 0.246 60.7 93.7-109.6 6.7 63.2 12.3 1.1 87 93 A E H > S+ 0 0 0 -4,-0.3 4,-2.5 1,-0.2 5,-0.4 0.955 87.2 48.0 -70.3 -41.5 62.7 15.8 -0.2 88 94 A G H > S+ 0 0 0 1,-0.2 4,-1.8 2,-0.2 5,-0.3 0.865 109.6 50.5 -65.5 -40.0 59.3 16.2 1.4 89 95 A T H > S+ 0 0 0 160,-0.3 4,-0.9 -4,-0.2 -1,-0.2 0.834 117.7 40.0 -65.4 -34.5 60.2 15.0 4.9 90 96 A H H X S+ 0 0 0 -4,-1.3 4,-1.7 -3,-0.2 -2,-0.2 0.892 118.7 40.6 -89.8 -42.4 63.1 17.3 5.0 91 97 A V H X S+ 0 0 0 -4,-2.5 4,-1.8 -5,-0.2 -3,-0.2 0.934 117.5 49.5 -70.7 -45.1 61.9 20.4 3.5 92 98 A G H < S+ 0 0 0 -4,-1.8 4,-0.5 -5,-0.4 -2,-0.2 0.834 114.7 43.6 -61.8 -38.7 58.4 20.2 5.2 93 99 A S H >< S+ 0 0 0 -4,-0.9 3,-1.2 -5,-0.3 4,-0.4 0.922 111.3 53.0 -72.9 -44.3 59.9 19.6 8.6 94 100 A A H >< S+ 0 0 3 -4,-1.7 3,-1.2 1,-0.3 -2,-0.2 0.865 104.0 58.5 -54.5 -38.1 62.6 22.3 8.3 95 101 A A T 3< S+ 0 0 4 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.747 102.1 54.5 -65.2 -24.9 59.9 24.8 7.4 96 102 A A T < S+ 0 0 0 -3,-1.2 -1,-0.2 -4,-0.5 2,-0.2 0.451 98.6 84.2 -87.9 -1.7 58.1 24.1 10.7 97 103 A L S < S- 0 0 17 -3,-1.2 2,-0.2 -4,-0.4 163,-0.1 -0.645 84.6-110.5 -98.7 157.9 61.1 24.8 12.7 98 104 A D > - 0 0 72 -2,-0.2 3,-1.3 1,-0.1 82,-0.1 -0.526 35.3-115.5 -71.7 153.0 62.6 28.0 13.9 99 105 A N T 3 S+ 0 0 113 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.666 114.0 50.5 -61.9 -26.6 65.8 28.9 12.2 100 106 A T T 3 S+ 0 0 61 2,-0.1 -1,-0.3 0, 0.0 2,-0.2 0.396 77.6 119.5 -97.6 -1.1 67.8 28.6 15.3 101 107 A D S < S- 0 0 0 -3,-1.3 2,-0.3 1,-0.1 80,-0.2 -0.487 71.1-116.6 -60.4 133.7 66.5 25.2 16.3 102 108 A L E -b 181 0A 11 78,-1.0 80,-2.2 -2,-0.2 2,-0.4 -0.589 28.4-153.4 -79.4 129.4 69.5 22.8 16.3 103 109 A V E -bc 182 151A 0 47,-2.4 49,-2.6 -2,-0.3 2,-0.3 -0.901 14.4-178.5-111.1 129.4 69.5 20.0 13.8 104 110 A F E +b 183 0A 3 78,-2.4 80,-2.2 -2,-0.4 2,-0.2 -0.934 27.0 125.4-116.2 144.5 71.2 16.6 14.2 105 111 A G - 0 0 4 -2,-0.3 50,-0.4 47,-0.3 56,-0.1 -0.824 40.3-132.3-164.0-156.1 71.0 14.0 11.4 106 112 A Q - 0 0 6 -2,-0.2 3,-0.5 48,-0.1 38,-0.2 -0.155 66.9 -17.0-146.7-104.7 72.9 11.8 9.0 107 113 A Y S S+ 0 0 41 1,-0.2 3,-0.2 2,-0.1 -26,-0.1 0.557 122.5 45.6 -96.8 -11.3 72.8 11.1 5.4 108 114 A R S S+ 0 0 59 1,-0.1 3,-0.3 2,-0.1 -1,-0.2 0.012 84.4 92.7-117.3 25.1 69.4 12.3 4.0 109 115 A E >> + 0 0 1 -3,-0.5 3,-1.4 1,-0.2 4,-1.2 0.235 42.8 106.1-109.3 8.6 69.1 15.7 5.7 110 116 A A H 3> S+ 0 0 6 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.820 72.9 70.3 -59.5 -26.0 70.6 18.0 3.0 111 117 A G H 3> S+ 0 0 0 -3,-0.3 4,-2.4 2,-0.2 -1,-0.3 0.850 95.3 52.8 -55.8 -33.0 67.0 19.1 2.4 112 118 A V H <> S+ 0 0 0 -3,-1.4 4,-2.3 2,-0.2 -1,-0.2 0.942 109.8 47.2 -70.4 -46.3 67.1 20.9 5.8 113 119 A L H <>S+ 0 0 0 -4,-1.2 5,-2.2 2,-0.2 -2,-0.2 0.924 110.8 53.0 -60.5 -43.0 70.3 22.7 4.8 114 120 A M H ><5S+ 0 0 10 -4,-2.6 3,-2.3 1,-0.2 -2,-0.2 0.954 108.7 48.2 -61.4 -46.1 68.7 23.6 1.4 115 121 A Y H 3<5S+ 0 0 28 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.935 108.7 55.3 -60.3 -40.1 65.6 25.1 3.1 116 122 A R T 3<5S- 0 0 18 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.266 121.9-110.7 -78.2 13.6 67.9 27.0 5.4 117 123 A D T < 5 + 0 0 105 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.1 0.792 47.9 177.4 70.8 32.4 69.7 28.5 2.3 118 124 A Y < - 0 0 17 -5,-2.2 -1,-0.2 -6,-0.1 5,-0.1 -0.550 41.1-104.5 -68.6 130.7 73.0 26.8 2.6 119 125 A P >> - 0 0 51 0, 0.0 3,-1.5 0, 0.0 4,-1.3 -0.281 15.7-131.6 -61.3 138.4 74.9 27.9 -0.5 120 126 A L H 3> S+ 0 0 25 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H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.786 127.1 52.8 -62.7 -26.3 107.1 -3.4 45.3 688 330 B W H > S+ 0 0 140 2,-0.2 4,-2.2 3,-0.2 -1,-0.2 0.867 108.2 48.8 -77.8 -37.5 108.9 -6.8 45.3 689 331 B K H > S+ 0 0 53 -3,-0.4 4,-1.8 2,-0.2 -2,-0.2 0.935 116.5 43.8 -64.2 -44.7 108.3 -7.4 41.6 690 332 B C H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.910 112.3 51.3 -68.8 -45.1 109.6 -4.0 40.9 691 333 B Y H X S+ 0 0 33 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.914 110.2 50.0 -59.5 -43.3 112.5 -4.2 43.2 692 334 B D H X S+ 0 0 61 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.853 111.3 48.6 -66.7 -35.7 113.6 -7.5 41.7 693 335 B A H X S+ 0 0 15 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.910 111.7 49.1 -67.1 -44.7 113.4 -6.1 38.2 694 336 B L H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.928 107.1 56.9 -58.4 -43.4 115.4 -3.0 39.2 695 337 B R H X S+ 0 0 92 -4,-2.7 4,-1.6 1,-0.2 3,-0.2 0.946 109.8 43.6 -53.8 -52.4 118.0 -5.3 40.9 696 338 B K H X S+ 0 0 115 -4,-1.7 4,-0.7 1,-0.2 -1,-0.2 0.890 111.2 54.6 -62.5 -41.8 118.6 -7.2 37.6 697 339 B M H >< S+ 0 0 7 -4,-2.1 3,-0.7 1,-0.2 -1,-0.2 0.873 105.8 53.0 -59.6 -39.8 118.7 -4.0 35.6 698 340 B I H 3< S+ 0 0 42 -4,-2.4 -1,-0.2 -3,-0.2 -2,-0.2 0.879 115.7 40.6 -62.6 -37.2 121.4 -2.6 37.9 699 341 B N H 3< 0 0 111 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.414 360.0 360.0 -93.8 3.5 123.5 -5.7 37.3 700 342 B Y << 0 0 209 -3,-0.7 -3,-0.1 -4,-0.7 -4,-0.0 -0.111 360.0 360.0 -47.2 360.0 122.7 -6.1 33.5