==== 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 OXIDOREDUCTASE 10-MAR-11 3R1J . COMPND 2 MOLECULE: ALPHA-KETOGLUTARATE-DEPENDENT TAURINE DIOXYGENASE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM AVIUM; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 487 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20817.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 126 25.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 33 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 18.1 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+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 0 0 2 2 0 0 0 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 7 0 6 6 6 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 4 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 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 I 0 0 89 0, 0.0 2,-0.4 0, 0.0 15,-0.2 0.000 360.0 360.0 360.0 119.0 32.9 33.0 81.3 2 6 A T E -A 15 0A 77 13,-2.2 13,-2.5 2,-0.0 2,-0.5 -0.925 360.0-156.7-122.9 148.0 30.6 35.4 79.4 3 7 A V E -A 14 0A 63 -2,-0.4 2,-0.5 11,-0.2 11,-0.2 -0.987 12.4-173.0-122.3 121.3 30.5 36.4 75.7 4 8 A T E -A 13 0A 60 9,-2.6 9,-2.7 -2,-0.5 -2,-0.0 -0.977 23.8-123.6-120.9 121.7 28.8 39.8 74.9 5 9 A K E -A 12 0A 115 -2,-0.5 7,-0.3 7,-0.2 6,-0.1 -0.292 15.4-166.6 -59.7 141.7 28.2 40.9 71.3 6 10 A L S S- 0 0 68 5,-2.9 2,-0.3 1,-0.3 6,-0.2 0.610 72.6 -3.2-100.4 -19.9 29.8 44.2 70.3 7 11 A G S S- 0 0 30 4,-0.8 -1,-0.3 3,-0.1 179,-0.1 -0.970 77.6 -94.7-165.0 169.4 27.8 44.5 67.0 8 12 A S S S+ 0 0 104 -2,-0.3 3,-0.1 1,-0.2 176,-0.1 0.816 116.7 18.5 -61.2 -39.4 25.2 42.7 64.9 9 13 A R S S+ 0 0 81 174,-0.4 2,-0.3 1,-0.3 97,-0.2 0.432 126.4 22.7-116.9 -7.3 27.6 41.0 62.4 10 14 A I S S+ 0 0 4 1,-0.2 -1,-0.3 175,-0.1 29,-0.2 -0.962 83.7 38.7-163.2 140.1 31.0 41.0 64.1 11 15 A G - 0 0 0 27,-2.8 -5,-2.9 -2,-0.3 -4,-0.8 0.554 36.8-169.3 102.0 134.6 32.8 41.2 67.4 12 16 A A E -Ab 5 41A 0 28,-1.6 30,-2.0 -7,-0.3 2,-0.5 -0.995 18.5-134.2-151.3 151.9 32.4 40.1 71.0 13 17 A R E -Ab 4 42A 79 -9,-2.7 -9,-2.6 -2,-0.3 2,-0.5 -0.906 18.4-153.8-105.3 132.2 34.0 40.7 74.3 14 18 A V E -A 3 0A 3 28,-3.0 30,-0.5 -2,-0.5 2,-0.3 -0.933 17.7-178.6-109.7 121.6 34.9 37.6 76.4 15 19 A D E +A 2 0A 42 -13,-2.5 -13,-2.2 -2,-0.5 3,-0.1 -0.805 53.8 43.5-118.9 159.6 34.9 38.2 80.2 16 20 A G S S+ 0 0 67 -2,-0.3 2,-0.4 1,-0.3 -1,-0.2 0.751 85.8 113.1 80.2 25.2 35.7 35.9 83.2 17 21 A V - 0 0 15 -3,-0.2 2,-0.7 -15,-0.1 -1,-0.3 -0.998 52.2-157.5-129.1 133.1 38.8 34.4 81.6 18 22 A R - 0 0 143 -2,-0.4 2,-0.1 -3,-0.1 28,-0.1 -0.944 32.0-129.1-104.7 111.5 42.5 34.7 82.5 19 23 A L + 0 0 2 -2,-0.7 2,-0.3 2,-0.1 38,-0.1 -0.364 54.8 105.0 -66.6 133.5 44.4 33.8 79.4 20 24 A G S > S- 0 0 4 -2,-0.1 3,-0.8 36,-0.1 34,-0.1 -0.970 79.7 -80.7 177.4-177.4 47.2 31.2 79.7 21 25 A G T 3 S+ 0 0 34 -2,-0.3 -2,-0.1 1,-0.2 33,-0.0 0.451 112.4 71.6 -80.9 -0.7 48.2 27.6 79.1 22 26 A D T 3 + 0 0 123 2,-0.0 -1,-0.2 0, 0.0 2,-0.1 0.369 64.1 125.7 -99.8 4.7 46.3 26.3 82.1 23 27 A L < - 0 0 28 -3,-0.8 -4,-0.0 1,-0.1 -6,-0.0 -0.393 61.2-118.5 -66.5 137.8 42.7 26.8 80.8 24 28 A D > - 0 0 97 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.159 27.6-101.3 -70.5 170.4 40.6 23.6 80.9 25 29 A D H > S+ 0 0 147 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.863 120.3 54.6 -62.4 -41.4 39.1 21.9 77.8 26 30 A A H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.880 111.1 46.0 -59.5 -40.6 35.6 23.4 78.3 27 31 A T H > S+ 0 0 17 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.923 111.1 49.9 -72.8 -46.7 37.0 26.9 78.5 28 32 A V H X S+ 0 0 12 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.928 113.6 48.4 -54.8 -45.6 39.3 26.5 75.4 29 33 A E H X S+ 0 0 77 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.874 108.6 51.7 -65.9 -40.6 36.3 25.2 73.5 30 34 A Q H X S+ 0 0 67 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.914 112.3 48.1 -58.7 -42.1 34.0 28.0 74.7 31 35 A I H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.929 110.2 51.5 -62.8 -46.1 36.7 30.4 73.5 32 36 A R H X S+ 0 0 58 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.933 111.3 47.2 -57.7 -50.9 36.9 28.5 70.1 33 37 A R H X S+ 0 0 134 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.858 111.6 51.0 -57.1 -40.2 33.1 28.7 69.6 34 38 A A H X S+ 0 0 7 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.928 111.3 48.7 -67.1 -41.4 33.1 32.4 70.5 35 39 A L H X S+ 0 0 7 -4,-2.8 4,-1.9 1,-0.2 164,-0.3 0.935 113.8 44.6 -60.0 -50.0 35.9 33.1 68.0 36 40 A L H < S+ 0 0 22 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.866 118.6 44.3 -66.7 -36.0 34.2 31.2 65.2 37 41 A T H < S+ 0 0 90 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.925 125.2 28.8 -72.7 -45.2 30.8 32.8 65.9 38 42 A H H < S- 0 0 29 -4,-2.9 -27,-2.8 -5,-0.2 2,-1.4 0.520 90.4-142.5-102.6 -8.3 31.9 36.4 66.4 39 43 A K S < S+ 0 0 12 -4,-1.9 160,-2.9 -5,-0.3 2,-0.3 -0.045 83.1 38.6 75.5 -36.2 35.0 36.4 64.1 40 44 A V E S- C 0 198A 0 -2,-1.4 -28,-1.6 158,-0.2 2,-0.3 -0.961 71.1-174.5-141.4 133.0 37.0 38.7 66.4 41 45 A I E -bC 12 197A 0 156,-2.7 156,-2.9 -2,-0.3 2,-0.4 -0.925 8.9-151.2-126.3 152.0 36.9 38.5 70.2 42 46 A F E -bC 13 196A 0 -30,-2.0 -28,-3.0 -2,-0.3 2,-0.4 -0.971 4.8-164.9-128.8 137.1 38.5 40.7 72.8 43 47 A F E - C 0 195A 0 152,-2.8 152,-2.3 -2,-0.4 3,-0.3 -0.978 16.0-160.6-117.6 131.6 39.7 40.0 76.4 44 48 A R + 0 0 76 -30,-0.5 150,-0.2 -2,-0.4 149,-0.1 -0.637 63.1 30.7-107.0 165.0 40.3 42.9 78.7 45 49 A H + 0 0 133 147,-0.4 2,-1.0 -2,-0.2 3,-0.3 0.752 65.0 146.5 64.0 31.0 42.4 43.3 81.9 46 50 A Q > + 0 0 14 147,-2.4 3,-1.6 -3,-0.3 147,-0.2 -0.336 11.1 143.5 -91.2 54.4 44.9 40.6 81.0 47 51 A H T 3 + 0 0 127 -2,-1.0 -1,-0.2 1,-0.3 146,-0.1 0.642 60.4 68.1 -74.6 -13.8 47.8 42.4 82.7 48 52 A H T 3 S+ 0 0 46 -3,-0.3 -1,-0.3 145,-0.1 5,-0.1 0.568 80.8 109.9 -72.5 -13.6 49.4 39.1 83.9 49 53 A L < + 0 0 16 -3,-1.6 2,-0.3 4,-0.1 144,-0.1 -0.404 36.8 164.0 -74.4 140.8 50.3 38.2 80.2 50 54 A D > - 0 0 72 -2,-0.1 4,-2.6 1,-0.0 5,-0.2 -0.790 55.7 -83.4-133.1-177.5 53.7 38.2 78.8 51 55 A D H > S+ 0 0 80 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.903 126.5 47.5 -52.8 -49.0 55.1 36.7 75.6 52 56 A S H > S+ 0 0 75 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.916 113.7 45.7 -64.2 -44.5 55.6 33.2 77.1 53 57 A R H > S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.900 111.1 53.1 -68.2 -37.7 52.1 33.0 78.6 54 58 A Q H X S+ 0 0 1 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.920 111.8 47.1 -59.4 -43.0 50.5 34.4 75.4 55 59 A L H X S+ 0 0 34 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.894 109.1 53.0 -64.1 -44.1 52.3 31.6 73.5 56 60 A E H X S+ 0 0 97 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.915 112.6 45.7 -58.8 -42.0 51.2 28.9 76.0 57 61 A F H >X S+ 0 0 1 -4,-2.5 3,-1.6 1,-0.2 4,-0.6 0.942 109.2 54.4 -62.9 -48.9 47.6 30.1 75.5 58 62 A A H >X S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.3 4,-1.2 0.884 99.9 61.9 -54.6 -41.1 48.0 30.2 71.7 59 63 A R H 3< S+ 0 0 146 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.753 95.8 61.7 -59.5 -24.3 49.2 26.5 71.8 60 64 A L H << S+ 0 0 55 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.767 112.3 35.4 -71.2 -25.3 45.8 25.6 73.2 61 65 A L H << S- 0 0 13 -3,-1.6 2,-0.3 -4,-0.6 -2,-0.2 0.513 128.3 -36.1-108.6 -10.4 43.9 26.8 70.1 62 66 A G S < S- 0 0 25 -4,-1.2 -1,-0.2 160,-0.0 163,-0.1 -0.984 72.6 -60.4 176.6-167.3 46.3 26.0 67.3 63 67 A T - 0 0 78 161,-0.3 161,-3.1 -2,-0.3 -4,-0.1 -0.908 49.9-130.5-108.6 109.4 49.9 25.6 66.0 64 68 A P B -D 223 0A 10 0, 0.0 183,-2.8 0, 0.0 159,-0.3 -0.314 23.9-143.0 -64.0 142.5 51.8 28.9 66.1 65 69 A I B G 246 0B 24 157,-2.7 157,-0.4 181,-0.3 181,-0.3 -0.521 360.0 360.0-102.2 168.8 53.7 29.8 62.9 66 70 A G 0 0 87 179,-2.1 181,-0.2 -2,-0.2 -1,-0.2 0.346 360.0 360.0-113.4 360.0 57.0 31.5 62.1 67 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 68 95 A A 0 0 98 0, 0.0 139,-2.2 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -39.1 49.6 47.3 57.8 69 96 A T + 0 0 68 137,-0.2 2,-0.4 2,-0.1 140,-0.1 0.132 360.0 84.2 -90.5 19.5 47.3 50.2 56.9 70 97 A R S S- 0 0 31 135,-0.1 137,-0.2 138,-0.0 2,-0.2 -0.955 93.4-102.4-107.8 143.9 45.7 48.6 53.9 71 98 A W + 0 0 39 -2,-0.4 84,-2.5 135,-0.1 2,-0.3 -0.437 61.6 148.7 -60.2 129.7 42.7 46.2 54.4 72 99 A H B -H 205 0C 21 133,-2.1 133,-2.7 82,-0.3 2,-0.4 -0.991 51.6-123.1-157.7 161.8 44.0 42.6 54.1 73 100 A T > - 0 0 2 80,-0.5 3,-1.1 -2,-0.3 83,-0.1 -0.881 59.8 -90.1-101.8 141.9 43.7 39.0 55.2 74 101 A D T 3 S- 0 0 13 -2,-0.4 -1,-0.0 1,-0.2 -2,-0.0 -0.347 90.7 -20.3 -70.0 132.5 47.0 37.9 56.6 75 102 A V T > S+ 0 0 35 1,-0.1 3,-2.2 6,-0.1 -1,-0.2 0.712 75.5 156.6 55.5 33.2 49.6 36.3 54.3 76 103 A T T < + 0 0 0 -3,-1.1 50,-0.2 1,-0.3 -1,-0.1 0.640 60.4 78.8 -72.5 -9.7 47.1 35.4 51.6 77 104 A F T 3 S+ 0 0 32 50,-0.1 -1,-0.3 48,-0.1 2,-0.3 0.673 89.0 70.1 -62.5 -17.9 50.0 35.4 49.0 78 105 A A S < S- 0 0 1 -3,-2.2 3,-0.4 1,-0.1 57,-0.1 -0.693 85.7-132.5 -96.3 156.2 50.7 32.0 50.5 79 106 A A S S+ 0 0 10 -2,-0.3 2,-1.0 1,-0.2 157,-0.1 0.910 103.0 43.6 -73.8 -48.3 48.4 29.0 49.9 80 107 A N S S+ 0 0 20 147,-0.2 145,-0.6 145,-0.1 -1,-0.2 -0.517 86.4 172.9 -97.7 66.7 48.2 27.8 53.5 81 108 A Y - 0 0 2 -2,-1.0 -6,-0.1 -3,-0.4 -5,-0.1 -0.146 39.9 -64.0 -81.5 170.2 47.8 31.2 55.1 82 109 A P - 0 0 0 0, 0.0 142,-0.2 0, 0.0 -1,-0.2 -0.144 28.3-154.3 -64.5 149.9 47.0 31.7 58.8 83 110 A A S S- 0 0 10 140,-2.3 117,-1.5 1,-0.3 118,-0.9 0.783 73.4 -23.3 -78.9 -35.1 43.8 30.5 60.5 84 111 A A E -EF 199 223A 3 139,-1.1 139,-3.5 115,-0.3 2,-0.3 -0.984 53.2-140.9-170.1 160.8 43.9 33.1 63.3 85 112 A S E -EF 198 222A 0 113,-1.4 113,-1.8 -2,-0.3 2,-0.4 -0.977 6.6-148.6-137.9 154.3 46.1 35.5 65.3 86 113 A I E -EF 197 221A 0 135,-3.0 135,-2.6 -2,-0.3 2,-0.4 -0.995 21.6-173.5-123.8 124.8 46.2 36.6 69.0 87 114 A L E -EF 196 220A 20 109,-3.0 109,-2.7 -2,-0.4 2,-0.3 -0.977 6.0-173.3-130.5 120.5 47.4 40.1 69.6 88 115 A R E -EF 195 219A 30 131,-2.2 131,-2.6 -2,-0.4 2,-0.3 -0.884 26.9-117.9-115.4 149.2 48.1 41.9 72.9 89 116 A A E + F 0 218A 11 105,-1.9 104,-0.4 -2,-0.3 129,-0.2 -0.655 34.3 166.0 -79.9 135.0 49.0 45.5 73.5 90 117 A V E S+ 0 0 66 127,-2.8 2,-0.4 -2,-0.3 128,-0.2 0.690 73.2 10.9-109.8 -58.4 52.4 46.1 75.0 91 118 A T E S- F 0 217A 66 126,-2.3 126,-2.9 101,-0.0 -1,-0.3 -0.988 72.7-165.5-128.9 124.2 52.9 49.9 74.6 92 119 A L - 0 0 46 -2,-0.4 124,-0.1 124,-0.2 2,-0.1 -0.790 19.6-118.5-112.1 145.4 50.0 52.2 73.5 93 120 A P - 0 0 19 0, 0.0 123,-0.1 0, 0.0 119,-0.1 -0.404 31.0-110.6 -76.7 162.3 50.1 55.8 72.1 94 121 A S S S+ 0 0 96 117,-0.2 2,-0.3 1,-0.1 117,-0.0 0.691 98.4 8.4 -70.2 -19.5 48.3 58.5 74.0 95 122 A Y S S+ 0 0 116 116,-0.2 119,-0.1 3,-0.0 -1,-0.1 -0.980 112.1 14.2-155.0 164.1 45.7 58.8 71.3 96 123 A G + 0 0 41 -2,-0.3 115,-0.2 1,-0.1 94,-0.1 -0.207 57.7 123.0 67.3-160.9 44.7 57.0 68.1 97 124 A G + 0 0 2 111,-0.3 93,-0.2 1,-0.2 -1,-0.1 0.619 35.6 153.1 85.5 16.5 45.9 53.5 67.4 98 125 A S - 0 0 7 91,-0.1 110,-0.8 109,-0.1 2,-0.4 -0.276 34.1-136.8 -73.5 160.5 42.6 51.7 67.0 99 126 A T E -IJ 188 207C 10 89,-1.7 89,-2.6 108,-0.2 2,-0.4 -0.950 9.2-145.9-122.6 143.6 42.3 48.6 64.8 100 127 A L E -IJ 187 206C 27 106,-2.5 106,-2.4 -2,-0.4 2,-0.4 -0.880 12.5-176.4-109.6 140.0 39.6 47.6 62.3 101 128 A W E -IJ 186 205C 0 85,-2.2 85,-2.1 -2,-0.4 2,-0.3 -0.984 6.6-162.3-127.8 146.3 38.2 44.2 61.5 102 129 A A E -IJ 185 204C 0 102,-2.4 102,-1.5 -2,-0.4 2,-0.7 -0.964 20.7-125.8-121.5 142.8 35.6 43.3 58.8 103 130 A S E > - J 0 203C 1 81,-2.5 4,-1.6 -2,-0.3 100,-0.3 -0.796 17.1-171.9 -88.6 113.7 33.6 40.1 58.6 104 131 A T H > S+ 0 0 2 98,-1.7 47,-1.9 -2,-0.7 4,-1.4 0.636 88.3 59.2 -78.3 -14.1 34.0 38.5 55.1 105 132 A V H > S+ 0 0 18 97,-1.0 4,-2.6 45,-0.3 5,-0.2 0.935 107.1 45.0 -68.3 -53.0 31.3 36.0 56.1 106 133 A A H > S+ 0 0 12 96,-0.3 4,-1.6 -97,-0.2 -2,-0.2 0.869 111.6 55.3 -55.4 -41.1 28.8 38.9 56.6 107 134 A A H < S+ 0 0 1 -4,-1.6 4,-0.3 2,-0.2 -1,-0.2 0.903 108.3 46.1 -61.1 -42.9 30.1 40.4 53.4 108 135 A Y H >< S+ 0 0 13 -4,-1.4 3,-1.7 1,-0.2 -2,-0.2 0.931 109.8 54.9 -64.6 -45.2 29.3 37.3 51.4 109 136 A Q H 3< S+ 0 0 54 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.811 106.3 52.6 -58.9 -29.7 25.9 37.0 53.1 110 137 A Q T 3< S+ 0 0 100 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.484 84.8 110.6 -84.9 -5.7 25.0 40.6 51.9 111 138 A L < - 0 0 5 -3,-1.7 2,-0.1 -4,-0.3 -3,-0.0 -0.554 68.5-128.5 -70.0 134.7 25.9 39.8 48.3 112 139 A P >> - 0 0 25 0, 0.0 4,-1.8 0, 0.0 3,-0.9 -0.409 35.8 -93.0 -76.9 163.3 23.0 39.8 45.9 113 140 A E H 3> S+ 0 0 114 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.828 121.7 53.5 -51.5 -45.9 22.6 36.7 43.7 114 141 A P H 3> S+ 0 0 11 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.906 110.8 46.8 -58.8 -38.1 24.5 38.0 40.7 115 142 A L H <> S+ 0 0 7 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.798 108.7 56.2 -77.0 -23.5 27.5 38.9 42.7 116 143 A R H X S+ 0 0 56 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.936 107.9 48.0 -64.8 -45.7 27.3 35.5 44.4 117 144 A H H < S+ 0 0 52 -4,-2.5 4,-0.4 -5,-0.2 -2,-0.2 0.900 113.8 48.6 -62.2 -37.0 27.5 33.8 41.0 118 145 A L H >< S+ 0 0 3 -4,-2.0 3,-1.5 -5,-0.2 -2,-0.2 0.985 116.0 39.8 -62.4 -58.3 30.4 36.1 40.1 119 146 A T H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.3 20,-0.5 0.751 107.9 60.4 -72.2 -27.9 32.5 35.5 43.2 120 147 A E T 3< S+ 0 0 30 -4,-2.2 -1,-0.3 1,-0.2 111,-0.2 0.608 114.3 39.6 -70.3 -11.1 31.8 31.8 43.5 121 148 A N T < S+ 0 0 14 -3,-1.5 2,-0.3 -4,-0.4 -1,-0.2 -0.082 99.1 99.5-130.0 32.8 33.4 31.4 40.1 122 149 A L < - 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