==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JUL-11 3SWT . COMPND 2 MOLECULE: TAURINE CATABOLISM DIOXYGENASE, TAUD; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM MARINUM M; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 490 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 25.5 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 . 39 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 18.2 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 0 2 1 0 1 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 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 4 A L 0 0 133 0, 0.0 2,-0.4 0, 0.0 15,-0.0 0.000 360.0 360.0 360.0 148.5 61.8 3.8 72.2 2 5 A I - 0 0 31 13,-0.0 2,-0.4 2,-0.0 15,-0.2 -0.723 360.0-162.6 -84.0 139.9 61.3 7.3 70.7 3 6 A T E -A 16 0A 72 13,-2.7 13,-2.4 -2,-0.4 2,-0.5 -0.957 10.3-160.2-130.1 132.9 64.5 9.0 69.5 4 7 A V E -A 15 0A 58 -2,-0.4 2,-0.6 11,-0.2 11,-0.2 -0.977 10.3-168.3-121.6 115.3 65.0 12.7 68.8 5 8 A K E -A 14 0A 41 9,-3.2 9,-2.8 -2,-0.5 2,-0.1 -0.933 18.7-131.3-114.1 116.6 68.0 13.5 66.5 6 9 A K E -A 13 0A 112 -2,-0.6 7,-0.3 7,-0.3 3,-0.1 -0.359 16.5-170.0 -62.7 136.0 69.2 17.1 66.2 7 10 A L + 0 0 74 5,-2.7 2,-0.3 1,-0.3 6,-0.2 0.575 67.6 1.0-105.1 -20.2 69.8 18.2 62.5 8 11 A G S S- 0 0 31 4,-0.8 -1,-0.3 1,-0.1 178,-0.1 -0.971 79.6 -94.5-160.2 167.0 71.5 21.5 63.1 9 12 A S S S+ 0 0 89 -2,-0.3 3,-0.1 1,-0.2 175,-0.1 0.833 116.4 15.9 -53.0 -44.0 72.8 23.7 66.0 10 13 A R S S+ 0 0 76 173,-0.4 2,-0.3 1,-0.3 -1,-0.2 0.601 125.7 25.3-112.8 -20.5 69.7 26.0 66.3 11 14 A I S S+ 0 0 4 174,-0.2 -1,-0.3 172,-0.1 29,-0.2 -0.995 83.2 38.8-153.0 141.8 66.8 24.3 64.5 12 15 A G - 0 0 0 27,-2.6 -5,-2.7 -2,-0.3 -4,-0.8 0.462 37.5-171.2 100.2 133.6 65.5 21.0 63.3 13 16 A A E -Ab 6 42A 0 28,-1.2 30,-2.2 -7,-0.3 2,-0.5 -0.983 18.3-135.9-151.2 147.0 65.2 17.4 64.6 14 17 A Q E -Ab 5 43A 43 -9,-2.8 -9,-3.2 -2,-0.3 2,-0.6 -0.911 18.1-150.2-104.6 134.5 64.2 14.0 63.2 15 18 A V E -A 4 0A 4 28,-3.0 30,-0.4 -2,-0.5 2,-0.3 -0.937 17.2-176.4-112.2 116.8 62.0 11.9 65.5 16 19 A D E +A 3 0A 67 -13,-2.4 -13,-2.7 -2,-0.6 3,-0.1 -0.765 57.4 45.1-107.8 158.4 62.4 8.1 65.0 17 20 A G S S+ 0 0 65 -2,-0.3 2,-0.5 1,-0.2 -1,-0.1 0.517 86.2 110.2 88.9 8.7 60.5 5.3 66.7 18 21 A V - 0 0 14 -3,-0.2 2,-0.6 -15,-0.1 -1,-0.2 -0.963 50.8-161.3-120.1 129.9 57.1 6.8 66.2 19 22 A S - 0 0 78 -2,-0.5 2,-0.1 -3,-0.1 28,-0.1 -0.944 32.5-130.5-100.1 111.5 54.2 5.7 64.0 20 23 A L + 0 0 1 -2,-0.6 2,-0.3 2,-0.1 38,-0.1 -0.357 53.4 102.5 -67.4 136.0 52.0 8.8 63.7 21 24 A G S > S- 0 0 9 34,-0.1 3,-0.9 1,-0.1 34,-0.0 -0.989 78.8 -67.4 174.3-173.5 48.3 8.2 64.4 22 25 A A T 3 S+ 0 0 35 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.1 0.747 115.5 59.4 -66.8 -27.4 45.2 8.4 66.6 23 26 A D T 3 + 0 0 157 -3,-0.0 -1,-0.2 2,-0.0 2,-0.1 0.256 65.0 131.8 -98.2 9.0 46.4 5.8 69.1 24 27 A L < - 0 0 34 -3,-0.9 -6,-0.0 1,-0.1 -4,-0.0 -0.424 56.3-121.6 -67.1 137.6 49.7 7.3 70.4 25 28 A D > - 0 0 77 -2,-0.1 4,-2.3 1,-0.1 3,-0.3 -0.165 25.5 -98.2 -78.3 170.9 49.7 7.2 74.2 26 29 A A H > S+ 0 0 26 282,-0.3 4,-2.5 1,-0.2 5,-0.1 0.867 121.1 51.4 -58.3 -43.2 50.1 10.1 76.5 27 30 A A H > S+ 0 0 22 280,-0.4 4,-1.8 283,-0.2 -1,-0.2 0.844 109.7 51.0 -65.7 -33.9 53.9 9.7 77.1 28 31 A A H > S+ 0 0 9 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.952 110.9 47.7 -66.0 -47.8 54.5 9.5 73.3 29 32 A V H X S+ 0 0 12 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.888 109.3 55.1 -60.9 -40.4 52.5 12.8 72.7 30 33 A D H X S+ 0 0 25 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.901 109.2 46.9 -55.0 -47.0 54.4 14.4 75.6 31 34 A Q H X S+ 0 0 69 -4,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.894 111.9 50.3 -64.2 -42.8 57.8 13.6 73.9 32 35 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.931 112.0 47.3 -62.5 -45.5 56.6 14.8 70.6 33 36 A R H X S+ 0 0 53 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.928 111.4 51.3 -62.5 -43.9 55.4 18.1 72.1 34 37 A A H X S+ 0 0 30 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.908 111.3 47.9 -59.1 -43.9 58.7 18.5 74.0 35 38 A A H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 5,-0.4 0.912 110.7 51.2 -64.3 -43.0 60.7 17.9 70.8 36 39 A L H X S+ 0 0 7 -4,-2.5 4,-1.9 1,-0.2 163,-0.3 0.926 111.4 48.3 -57.0 -47.7 58.5 20.4 68.8 37 40 A L H < S+ 0 0 26 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.871 118.9 37.8 -63.4 -42.8 59.0 23.1 71.5 38 41 A E H < S+ 0 0 127 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.888 126.8 32.3 -76.6 -43.8 62.8 22.7 71.7 39 42 A H H < S- 0 0 13 -4,-2.7 -27,-2.6 -5,-0.2 2,-1.8 0.546 89.1-144.9 -99.6 -10.7 63.7 22.1 68.0 40 43 A K S < S+ 0 0 8 -4,-1.9 159,-2.7 -5,-0.4 2,-0.4 -0.132 80.7 39.5 78.0 -41.8 61.0 24.3 66.5 41 44 A V E S- C 0 198A 0 -2,-1.8 -28,-1.2 157,-0.2 2,-0.3 -0.989 71.9-173.4-133.7 133.7 60.5 22.0 63.5 42 45 A I E -bC 13 197A 0 155,-2.6 155,-2.4 -2,-0.4 2,-0.4 -0.957 8.5-149.6-127.1 151.1 60.5 18.2 63.7 43 46 A F E -bC 14 196A 1 -30,-2.2 -28,-3.0 -2,-0.3 2,-0.4 -0.946 7.4-166.5-127.2 135.4 60.3 15.6 61.0 44 47 A F E - C 0 195A 0 151,-2.7 151,-2.4 -2,-0.4 3,-0.3 -0.992 17.9-160.1-116.3 126.8 58.9 12.0 60.9 45 48 A R + 0 0 54 -2,-0.4 149,-0.2 -30,-0.4 148,-0.1 -0.580 63.7 26.4-104.5 165.2 60.0 9.8 58.0 46 49 A N + 0 0 109 146,-0.5 2,-1.0 -2,-0.2 3,-0.3 0.797 63.4 149.5 54.0 36.8 58.4 6.7 56.5 47 50 A Q > + 0 0 15 146,-2.7 3,-1.6 -3,-0.3 -1,-0.2 -0.363 15.0 147.2 -87.6 54.0 54.9 7.5 57.7 48 51 A H T 3 + 0 0 117 -2,-1.0 -1,-0.2 1,-0.3 145,-0.1 0.780 59.9 61.6 -69.0 -28.5 53.7 5.6 54.6 49 52 A H T 3 S+ 0 0 76 -3,-0.3 -1,-0.3 144,-0.1 5,-0.1 0.583 82.2 111.0 -68.5 -16.2 50.5 4.4 56.4 50 53 A L < + 0 0 12 -3,-1.6 2,-0.2 143,-0.1 -29,-0.1 -0.359 38.1 171.6 -73.7 143.7 49.1 7.9 57.0 51 54 A D > - 0 0 73 -2,-0.1 4,-2.4 1,-0.0 5,-0.2 -0.787 50.8 -86.8-131.3-179.7 46.1 9.4 55.3 52 55 A D H > S+ 0 0 86 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.878 124.5 51.1 -56.1 -45.0 44.1 12.6 55.9 53 56 A Q H > S+ 0 0 60 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.921 113.7 43.8 -63.2 -44.8 41.8 11.1 58.6 54 57 A Q H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.866 112.4 53.4 -70.1 -36.5 44.7 9.7 60.6 55 58 A Q H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.928 112.3 45.1 -57.7 -47.8 46.7 13.0 60.2 56 59 A L H X S+ 0 0 89 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.933 112.8 49.3 -63.8 -49.9 43.7 15.0 61.5 57 60 A Q H X S+ 0 0 108 -4,-2.6 4,-0.6 2,-0.2 -2,-0.2 0.921 113.2 48.5 -55.3 -45.8 43.1 12.5 64.5 58 61 A F H >X S+ 0 0 1 -4,-2.7 3,-1.7 1,-0.2 4,-0.6 0.939 106.1 56.5 -60.7 -47.3 46.8 12.8 65.3 59 62 A A H >X S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.3 4,-1.3 0.890 99.0 62.3 -49.3 -42.4 46.7 16.6 65.1 60 63 A G H 3< S+ 0 0 42 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.719 93.4 62.8 -58.7 -25.4 43.9 16.5 67.8 61 64 A L H << S+ 0 0 59 -3,-1.7 -1,-0.3 -4,-0.6 -2,-0.2 0.743 110.7 39.0 -68.6 -25.7 46.3 14.9 70.3 62 65 A L H << S- 0 0 14 -3,-1.7 2,-0.3 -4,-0.6 -2,-0.2 0.648 129.4 -48.7 -99.5 -21.1 48.5 18.1 70.1 63 66 A G S < S- 0 0 32 -4,-1.3 -1,-0.2 159,-0.0 162,-0.1 -0.947 75.6 -45.0 178.0-158.2 45.8 20.8 69.9 64 67 A T - 0 0 92 -2,-0.3 160,-2.7 160,-0.3 -4,-0.1 -0.902 54.1-127.3-106.0 112.5 42.6 22.1 68.3 65 68 A P B D 223 0A 46 0, 0.0 158,-0.3 0, 0.0 20,-0.0 -0.330 360.0 360.0 -64.8 139.9 42.5 21.8 64.5 66 69 A I 0 0 83 156,-3.0 157,-0.2 180,-0.1 180,-0.1 0.604 360.0 360.0-116.1 360.0 41.6 25.1 62.8 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 94 A A 0 0 101 0, 0.0 139,-2.8 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -32.0 54.1 30.9 50.0 69 95 A N + 0 0 45 137,-0.2 2,-0.4 2,-0.1 140,-0.1 0.119 360.0 78.6 -83.1 16.2 57.5 32.0 48.4 70 96 A R S S- 0 0 172 135,-0.1 137,-0.2 138,-0.0 2,-0.2 -0.974 94.3-101.2-120.0 146.5 58.1 34.8 50.9 71 97 A W + 0 0 41 -2,-0.4 84,-2.2 135,-0.1 2,-0.3 -0.448 61.1 150.0 -63.4 126.0 59.4 34.2 54.4 72 98 A H B -G 205 0B 24 133,-2.4 133,-2.8 82,-0.3 2,-0.4 -0.986 50.3-123.8-153.9 159.5 56.5 34.4 56.9 73 99 A T > - 0 0 2 80,-0.4 3,-1.0 -2,-0.3 83,-0.2 -0.876 59.5 -89.5 -99.1 142.0 54.9 33.3 60.1 74 100 A D T 3 S- 0 0 8 -2,-0.4 -1,-0.0 1,-0.2 80,-0.0 -0.354 90.1 -21.3 -67.3 129.3 51.5 31.9 59.4 75 101 A V T > S+ 0 0 49 -2,-0.2 3,-2.1 1,-0.1 -1,-0.2 0.747 75.0 157.9 55.0 35.2 48.4 34.1 59.4 76 102 A T T < + 0 0 0 -3,-1.0 50,-0.2 1,-0.3 -1,-0.1 0.498 59.7 79.5 -76.9 -2.4 50.0 36.9 61.5 77 103 A F T 3 S+ 0 0 35 50,-0.1 -1,-0.3 57,-0.1 2,-0.3 0.624 87.9 75.3 -66.4 -15.2 47.5 39.4 60.1 78 104 A A S X S- 0 0 3 -3,-2.1 3,-0.5 1,-0.1 57,-0.1 -0.733 83.9-135.0 -96.4 150.5 45.2 37.8 62.8 79 105 A A T 3 S+ 0 0 6 -2,-0.3 2,-0.9 1,-0.3 157,-0.1 0.944 103.3 39.0 -69.6 -49.0 45.6 38.5 66.5 80 106 A N T 3 S+ 0 0 12 147,-0.2 145,-0.6 145,-0.1 -1,-0.3 -0.572 86.4 176.0-102.0 70.0 45.3 34.8 67.5 81 107 A Y < - 0 0 2 -2,-0.9 -6,-0.1 -3,-0.5 145,-0.1 -0.251 39.7 -67.1 -78.9 162.5 47.3 33.2 64.8 82 108 A P - 0 0 16 0, 0.0 142,-0.2 0, 0.0 -1,-0.2 -0.013 30.6-150.4 -52.4 150.2 48.0 29.5 64.7 83 109 A A S S- 0 0 8 140,-2.2 117,-1.4 1,-0.3 118,-0.9 0.786 72.4 -17.5 -80.5 -36.7 50.3 27.7 67.2 84 110 A A E -EF 199 223A 3 139,-0.9 139,-2.8 115,-0.3 2,-0.3 -0.976 55.4-142.8-167.8 154.4 51.6 24.9 64.9 85 111 A S E -EF 198 222A 0 113,-1.4 113,-1.6 -2,-0.3 2,-0.5 -0.972 7.2-146.8-133.1 158.7 50.9 23.0 61.7 86 112 A I E -EF 197 221A 1 135,-2.8 135,-2.6 -2,-0.3 2,-0.5 -0.994 20.9-169.9-125.8 119.4 51.3 19.4 60.7 87 113 A L E -EF 196 220A 23 109,-3.0 109,-2.7 -2,-0.5 2,-0.4 -0.971 4.2-167.0-126.1 123.2 52.3 18.9 57.1 88 114 A R E -EF 195 219A 32 131,-2.9 131,-2.8 -2,-0.5 2,-0.4 -0.921 22.3-125.3-115.7 128.9 52.3 15.6 55.2 89 115 A A E + F 0 218A 7 105,-2.1 104,-0.5 -2,-0.4 129,-0.2 -0.598 35.0 164.1 -66.8 125.9 53.9 14.9 51.8 90 116 A V E + 0 0 50 127,-2.3 2,-0.4 -2,-0.4 128,-0.2 0.751 69.2 4.0-106.4 -54.6 51.3 13.4 49.4 91 117 A T E S- F 0 217A 49 126,-2.3 126,-3.3 101,-0.0 -1,-0.3 -0.987 70.1-167.0-140.6 129.4 52.9 13.8 46.0 92 118 A L - 0 0 50 -2,-0.4 124,-0.1 124,-0.2 123,-0.1 -0.869 20.8-114.3-121.2 146.6 56.4 15.2 45.3 93 119 A P - 0 0 20 0, 0.0 3,-0.1 0, 0.0 123,-0.1 -0.261 32.9-108.7 -73.4 165.2 58.2 16.4 42.1 94 120 A N S S+ 0 0 148 117,-0.1 2,-0.3 1,-0.1 3,-0.0 0.681 99.8 9.4 -69.7 -20.2 61.2 14.6 40.7 95 121 A Y S S+ 0 0 123 116,-0.1 119,-0.2 3,-0.0 -1,-0.1 -0.986 111.3 13.3-154.9 161.6 63.5 17.4 41.8 96 122 A G + 0 0 39 -2,-0.3 115,-0.2 1,-0.1 94,-0.1 -0.202 55.4 125.9 68.9-166.0 63.4 20.6 43.9 97 123 A G + 0 0 3 111,-0.3 93,-0.2 1,-0.2 -1,-0.1 0.662 35.5 156.5 92.0 17.0 60.5 21.3 46.3 98 124 A S - 0 0 4 91,-0.1 110,-0.8 109,-0.1 2,-0.4 -0.231 31.1-140.1 -69.7 164.3 62.4 21.9 49.5 99 125 A T E -HI 188 207B 9 89,-1.5 89,-3.2 108,-0.2 2,-0.4 -0.985 7.3-145.7-128.2 141.5 61.0 23.9 52.4 100 126 A L E -HI 187 206B 24 106,-2.7 106,-1.8 -2,-0.4 2,-0.3 -0.856 13.2-176.1-106.0 139.7 62.8 26.4 54.7 101 127 A W E -HI 186 205B 0 85,-2.1 85,-1.8 -2,-0.4 2,-0.3 -0.989 6.7-161.0-126.9 145.6 62.2 27.1 58.4 102 128 A A E -HI 185 204B 0 102,-2.6 102,-1.3 -2,-0.3 2,-0.8 -0.939 20.6-125.4-121.0 148.1 63.9 29.7 60.6 103 129 A N E > - I 0 203B 2 81,-1.8 4,-1.5 -2,-0.3 100,-0.3 -0.821 18.7-172.2 -96.4 109.1 64.0 29.8 64.4 104 130 A T H > S+ 0 0 2 98,-1.9 47,-2.3 -2,-0.8 4,-1.0 0.597 81.0 60.9 -80.5 -8.2 62.7 33.1 65.7 105 131 A A H > S+ 0 0 8 97,-0.7 4,-2.4 45,-0.3 -1,-0.2 0.925 108.2 40.1 -76.3 -53.3 63.7 32.3 69.4 106 132 A T H > S+ 0 0 36 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 110.0 62.2 -64.7 -33.7 67.4 32.0 68.7 107 133 A A H < S+ 0 0 4 -4,-1.5 4,-0.4 1,-0.2 -1,-0.2 0.930 109.8 40.2 -55.0 -46.5 67.1 35.0 66.3 108 134 A Y H >< S+ 0 0 15 -4,-1.0 3,-1.6 41,-0.2 -2,-0.2 0.938 114.0 52.9 -63.5 -48.6 66.0 37.1 69.3 109 135 A A H 3< S+ 0 0 59 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.831 108.0 50.9 -61.4 -34.9 68.5 35.6 71.7 110 136 A E T 3< S+ 0 0 122 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.524 83.5 119.1 -80.4 -9.1 71.5 36.3 69.4 111 137 A L S < S- 0 0 6 -3,-1.6 5,-0.1 -4,-0.4 -3,-0.0 -0.330 73.3-109.4 -58.8 138.0 70.5 40.0 68.9 112 138 A P >> - 0 0 53 0, 0.0 4,-2.0 0, 0.0 3,-1.0 -0.372 37.7-103.8 -55.3 147.7 73.1 42.5 70.1 113 139 A E H 3> S+ 0 0 122 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.854 119.7 51.9 -47.4 -50.0 71.9 44.4 73.2 114 140 A P H 3> S+ 0 0 96 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.868 110.3 49.2 -60.7 -32.5 71.0 47.6 71.5 115 141 A L H <> S+ 0 0 36 -3,-1.0 4,-2.7 2,-0.2 5,-0.2 0.855 107.1 55.5 -73.2 -33.0 68.9 45.7 69.0 116 142 A K H X S+ 0 0 25 -4,-2.0 4,-2.4 2,-0.2 5,-0.2 0.955 107.1 50.4 -60.2 -46.9 67.2 43.8 71.9 117 143 A C H X S+ 0 0 76 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.931 111.8 49.5 -57.8 -41.6 66.3 47.2 73.3 118 144 A L H >< S+ 0 0 57 -4,-1.8 3,-0.9 -5,-0.2 -2,-0.2 0.962 114.6 41.0 -59.3 -54.1 64.8 48.2 69.9 119 145 A V H >< S+ 0 0 0 -4,-2.7 3,-1.4 1,-0.2 21,-0.5 0.814 102.8 66.4 -72.8 -30.7 62.7 45.2 69.3 120 146 A E H 3< S+ 0 0 37 -4,-2.4 111,-0.3 1,-0.3 -1,-0.2 0.744 113.9 33.2 -65.4 -18.6 61.3 44.8 72.9 121 147 A N T << S+ 0 0 103 -3,-0.9 2,-0.3 -4,-0.8 -1,-0.3 0.197 98.6 105.1-117.9 17.3 59.4 48.1 72.4 122 148 A L < - 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