==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-AUG-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-AUG-08 2JKC . COMPND 2 MOLECULE: TRYPTOPHAN HALOGENASE PRNA; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR X.ZHU,J.H.NAISMITH . 517 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21732.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 4.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 13.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.8 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 . 31 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 3.1 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 4 3 1 0 2 0 2 0 2 1 2 0 0 0 0 0 0 0 0 0 1 0 0 0 1 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 3 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 PARALLEL BRIDGES PER LADDER . 4 4 2 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 3 0 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 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 2 A N 0 0 157 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 146.7 -11.3 35.3 0.5 2 3 A K - 0 0 100 1,-0.1 364,-2.8 363,-0.1 365,-0.2 -0.449 360.0-119.8 -69.9 138.9 -13.3 35.0 -2.7 3 4 A P B -A 365 0A 92 0, 0.0 2,-0.5 0, 0.0 362,-0.2 -0.251 37.5 -82.7 -71.7 166.5 -12.9 31.7 -4.5 4 5 A I + 0 0 12 360,-0.5 3,-0.1 1,-0.2 359,-0.0 -0.619 56.6 162.3 -69.7 118.1 -11.6 31.3 -8.1 5 6 A K + 0 0 86 -2,-0.5 27,-2.4 1,-0.2 2,-0.5 0.847 55.1 47.0-103.0 -53.5 -14.5 31.9 -10.4 6 7 A N E -b 32 0B 57 25,-0.2 206,-2.3 27,-0.1 205,-2.2 -0.801 60.5-177.2-105.6 127.0 -13.2 32.6 -13.8 7 8 A I E -bc 33 212B 1 25,-3.4 27,-2.8 -2,-0.5 2,-0.5 -0.977 5.4-169.4-124.0 128.0 -10.5 30.5 -15.5 8 9 A V E -bc 34 213B 5 204,-2.2 206,-2.7 -2,-0.4 2,-0.5 -0.976 4.5-165.1-116.5 127.6 -8.9 31.2 -18.9 9 10 A I E -bc 35 214B 0 25,-3.3 27,-2.9 -2,-0.5 2,-0.6 -0.950 6.7-154.1-108.7 129.2 -6.7 28.5 -20.6 10 11 A V E +bc 36 215B 12 204,-2.8 206,-2.4 -2,-0.5 27,-0.2 -0.912 60.7 50.0-102.7 122.4 -4.5 29.5 -23.5 11 12 A G - 0 0 10 25,-3.1 26,-0.1 -2,-0.6 206,-0.1 0.078 52.3-151.1 123.1 127.2 -3.7 26.6 -25.8 12 13 A G + 0 0 10 4,-0.1 31,-0.1 26,-0.1 25,-0.1 0.040 62.9 106.3-115.7 25.1 -5.7 24.0 -27.6 13 14 A G S > S- 0 0 19 203,-0.5 4,-1.8 29,-0.1 5,-0.2 0.109 97.1 -70.0 -76.2-160.8 -3.1 21.2 -27.7 14 15 A T H > S+ 0 0 23 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.908 136.0 50.0 -63.7 -38.2 -3.1 18.0 -25.6 15 16 A A H > S+ 0 0 13 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.924 107.6 52.0 -63.8 -51.6 -2.3 20.1 -22.5 16 17 A G H > S+ 0 0 0 200,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.904 115.4 40.2 -52.2 -49.7 -5.0 22.7 -23.0 17 18 A W H X S+ 0 0 0 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.783 113.9 53.0 -78.5 -29.5 -7.8 20.2 -23.4 18 19 A M H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.2 5,-0.2 0.921 112.8 46.5 -59.8 -47.6 -6.5 18.0 -20.6 19 20 A A H X S+ 0 0 0 -4,-3.2 4,-2.5 2,-0.2 5,-0.3 0.935 112.8 48.6 -61.7 -47.5 -6.5 21.1 -18.4 20 21 A A H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.2 0.931 115.5 44.1 -59.4 -50.0 -10.0 22.1 -19.4 21 22 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.926 114.1 48.9 -55.9 -53.3 -11.4 18.5 -18.8 22 23 A Y H X S+ 0 0 7 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.896 115.5 43.3 -61.1 -41.8 -9.6 18.0 -15.5 23 24 A L H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 6,-0.3 0.864 109.1 56.6 -74.6 -36.3 -10.8 21.4 -14.1 24 25 A V H <>S+ 0 0 9 -4,-2.4 5,-1.3 -5,-0.3 -2,-0.2 0.903 116.2 40.0 -52.7 -41.4 -14.3 21.0 -15.5 25 26 A R H ><5S+ 0 0 109 -4,-2.0 3,-0.9 -5,-0.2 -2,-0.2 0.919 117.6 45.5 -76.8 -43.9 -14.3 17.8 -13.4 26 27 A A H 3<5S+ 0 0 24 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.2 0.830 110.9 49.9 -74.7 -34.0 -12.5 19.0 -10.3 27 28 A L T ><5S- 0 0 32 -4,-2.4 3,-3.2 -5,-0.1 -1,-0.2 0.117 105.2-123.0 -96.9 23.0 -14.3 22.3 -9.7 28 29 A Q T < 5 - 0 0 140 -3,-0.9 -3,-0.2 1,-0.3 -4,-0.1 0.785 63.5 -68.3 44.9 40.9 -17.8 20.6 -10.0 29 30 A Q T 3 - 0 0 0 -2,-0.2 3,-2.6 107,-0.1 4,-0.3 -0.870 41.0 -97.9-129.6 158.6 2.3 5.1 -19.0 52 53 A P T >> S+ 0 0 6 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.666 113.0 69.2 -59.2 -24.6 -0.3 3.3 -16.8 53 54 A S H 3>>S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.8 0.609 79.0 82.1 -68.0 -11.5 -1.2 6.2 -14.6 54 55 A L H <>>S+ 0 0 0 -3,-2.6 5,-1.8 3,-0.2 4,-1.2 0.960 99.0 39.1 -53.4 -48.3 -2.9 7.8 -17.6 55 56 A Q H <4>S+ 0 0 7 -3,-0.8 5,-2.8 -4,-0.3 6,-0.3 0.942 122.1 40.8 -65.0 -47.1 -5.9 5.6 -16.9 56 57 A K H <5S+ 0 0 53 -4,-1.0 5,-0.3 3,-0.2 -2,-0.2 0.971 125.4 30.3 -73.2 -51.2 -5.9 5.9 -13.1 57 58 A V H <5S+ 0 0 13 -4,-2.2 -3,-0.2 3,-0.1 -1,-0.2 0.858 133.3 21.7 -76.8 -39.0 -5.0 9.6 -12.5 58 59 A F T XXS+ 0 0 0 -5,-1.8 5,-2.5 2,-0.2 4,-0.9 0.891 117.9 52.7 -69.2 -40.4 -9.4 9.2 -17.4 60 61 A D H >4> - 0 0 32 0, 0.0 3,-1.9 0, 0.0 4,-1.8 -0.396 31.1-105.1 -77.6 160.6 -13.0 3.9 -19.1 66 67 A E H 3> S+ 0 0 49 1,-0.3 4,-2.6 2,-0.2 9,-0.1 0.843 119.8 60.0 -46.1 -44.5 -10.5 2.6 -21.7 67 68 A R H 34 S+ 0 0 204 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.678 108.0 46.0 -65.0 -21.5 -13.3 1.0 -23.6 68 69 A E H <4 S+ 0 0 89 -3,-1.9 4,-0.4 2,-0.1 -2,-0.2 0.915 121.9 30.2 -86.4 -52.0 -14.9 4.4 -24.1 69 70 A W H >X S+ 0 0 0 -4,-1.8 3,-1.4 1,-0.1 4,-0.6 0.908 107.3 68.4 -76.3 -42.1 -11.8 6.5 -25.1 70 71 A M G ><>S+ 0 0 14 -4,-2.6 5,-2.4 1,-0.3 3,-1.6 0.855 97.1 50.4 -47.2 -54.0 -9.6 4.0 -26.9 71 72 A P G 345S+ 0 0 96 0, 0.0 3,-0.4 0, 0.0 -1,-0.3 0.755 109.0 54.3 -60.2 -23.4 -11.8 3.4 -30.0 72 73 A Q G <45S+ 0 0 91 -3,-1.4 -2,-0.2 -4,-0.4 97,-0.1 0.549 113.4 38.9 -88.6 -8.4 -12.1 7.1 -30.6 73 74 A V T <<5S- 0 0 1 -3,-1.6 89,-2.5 -4,-0.6 93,-0.2 0.162 113.3-104.0-123.8 15.2 -8.3 7.8 -30.7 74 75 A N T 5 - 0 0 52 -3,-0.4 204,-0.3 -4,-0.3 -4,-0.1 0.887 55.5-163.6 52.9 43.2 -7.0 4.7 -32.6 75 76 A G < + 0 0 12 -5,-2.4 2,-0.3 -6,-0.2 86,-0.2 -0.234 16.7 173.0 -56.1 137.2 -5.8 3.3 -29.2 76 77 A A E -H 160 0C 0 84,-2.5 84,-2.4 201,-0.1 2,-0.3 -0.842 31.6 -92.0-135.3 176.4 -3.3 0.5 -29.1 77 78 A F E -H 159 0C 6 82,-0.3 2,-0.4 -2,-0.3 82,-0.3 -0.711 24.7-167.8-102.1 143.3 -1.3 -1.2 -26.3 78 79 A K E +H 158 0C 0 80,-2.1 80,-3.5 -2,-0.3 183,-0.3 -0.973 14.1 166.6-127.3 119.4 2.1 -0.5 -24.8 79 80 A A - 0 0 1 181,-2.9 23,-1.5 -2,-0.4 2,-0.3 0.575 67.2 -23.4-103.1 -12.7 3.7 -3.0 -22.4 80 81 A A E -I 101 0D 0 180,-0.3 182,-1.8 21,-0.2 2,-0.5 -0.957 62.0 -96.3-171.4 174.0 7.3 -1.7 -22.4 81 82 A I E -Ij 100 262D 4 19,-2.1 19,-3.1 -2,-0.3 2,-0.6 -0.997 34.9-152.7-109.5 128.8 9.9 0.4 -24.2 82 83 A K E -Ij 99 263D 33 180,-2.9 182,-3.0 -2,-0.5 2,-0.5 -0.917 5.4-151.3 -99.3 121.2 12.3 -1.8 -26.2 83 84 A F E -Ij 98 264D 0 15,-2.8 15,-1.4 -2,-0.6 2,-0.4 -0.815 12.6-166.7 -94.8 121.6 15.8 -0.4 -26.7 84 85 A V E -Ij 97 265D 32 180,-2.6 182,-2.8 -2,-0.5 13,-0.2 -0.928 65.9 -5.8-116.1 129.5 17.6 -1.4 -29.9 85 86 A N S S+ 0 0 44 11,-2.2 -1,-0.2 -2,-0.4 12,-0.1 0.721 93.6 119.2 65.6 27.0 21.3 -0.9 -30.6 86 87 A W + 0 0 0 10,-0.2 314,-0.5 -3,-0.2 313,-0.3 0.750 62.7 57.0 -86.5 -29.1 21.9 1.1 -27.4 87 88 A R S S+ 0 0 89 311,-0.1 312,-1.4 378,-0.1 2,-0.3 0.898 111.9 5.2 -79.5 -45.9 24.4 -1.1 -25.7 88 89 A K S S- 0 0 139 311,-0.1 312,-0.2 310,-0.1 3,-0.1 -0.815 96.0 -65.2-132.9 169.0 27.4 -1.5 -28.1 89 90 A S S S- 0 0 49 -2,-0.3 -3,-0.1 310,-0.2 -4,-0.1 -0.471 74.9 -99.8 -56.7 122.1 28.6 -0.2 -31.4 90 91 A P - 0 0 58 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 -0.135 42.8-179.1 -59.6 141.3 26.0 -1.7 -33.7 91 92 A D > - 0 0 76 3,-0.2 3,-2.3 -3,-0.1 5,-0.1 -0.972 24.4-145.7-142.9 114.5 26.7 -4.8 -35.7 92 93 A P T 3 S+ 0 0 139 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.546 99.3 63.9 -64.2 -3.5 24.0 -6.1 -38.0 93 94 A S T 3 S+ 0 0 75 2,-0.0 2,-0.3 0, 0.0 0, 0.0 0.532 98.5 70.6 -91.8 -3.9 25.1 -9.7 -37.2 94 95 A R S < S- 0 0 186 -3,-2.3 2,-0.9 2,-0.0 -3,-0.2 -0.854 74.6-135.7-121.1 145.6 24.1 -9.2 -33.6 95 96 A D + 0 0 127 -2,-0.3 2,-0.8 2,-0.1 -2,-0.0 -0.863 26.0 178.1-101.0 100.7 20.8 -8.8 -31.7 96 97 A D + 0 0 25 -2,-0.9 -11,-2.2 -5,-0.1 2,-0.3 -0.863 26.2 130.8-104.5 94.5 21.1 -5.9 -29.3 97 98 A H E +I 84 0D 44 -2,-0.8 2,-0.3 -13,-0.2 -13,-0.2 -0.999 24.3 171.8-143.9 148.0 17.8 -5.4 -27.6 98 99 A F E -I 83 0D 6 -15,-1.4 -15,-2.8 -2,-0.3 2,-0.4 -0.987 24.1-126.8-147.6 154.5 16.4 -5.0 -24.0 99 100 A Y E -I 82 0D 0 -2,-0.3 2,-0.6 -17,-0.2 -17,-0.2 -0.800 3.4-157.8-102.3 140.1 13.0 -4.2 -22.5 100 101 A H E -I 81 0D 0 -19,-3.1 -19,-2.1 -2,-0.4 2,-0.2 -0.978 35.1-158.1-105.6 109.4 12.1 -1.5 -20.0 101 102 A L E -I 80 0D 0 -2,-0.6 -21,-0.2 -21,-0.2 2,-0.1 -0.618 17.4-123.7-101.8 149.8 8.9 -2.9 -18.5 102 103 A F S S+ 0 0 0 -23,-1.5 54,-0.2 54,-0.3 -1,-0.1 -0.408 75.7 40.3 -73.6 159.5 5.8 -1.6 -16.7 103 104 A G S S- 0 0 6 415,-0.6 2,-0.3 -2,-0.1 -2,-0.1 -0.154 89.7 -69.0 84.5 176.3 5.0 -3.2 -13.3 104 105 A N - 0 0 30 333,-0.1 335,-0.2 353,-0.0 -2,-0.1 -0.816 33.4-117.6-118.1 146.8 7.2 -4.3 -10.4 105 106 A V - 0 0 15 -2,-0.3 330,-0.2 1,-0.1 352,-0.1 -0.624 41.8-110.9 -78.1 131.9 9.8 -7.0 -9.9 106 107 A P - 0 0 54 0, 0.0 7,-2.2 0, 0.0 2,-0.3 -0.157 26.2-130.4 -60.5 154.7 8.8 -9.5 -7.1 107 108 A N E -O 112 0E 49 5,-0.2 2,-0.4 6,-0.1 329,-0.0 -0.796 10.1-156.8-103.9 151.7 10.6 -9.7 -3.8 108 109 A C E > S-O 111 0E 2 3,-3.2 3,-0.8 -2,-0.3 379,-0.1 -0.910 77.9 -24.9-131.3 106.3 11.9 -12.8 -2.1 109 110 A D T 3 S- 0 0 68 -2,-0.4 -1,-0.1 1,-0.2 374,-0.1 0.926 129.4 -45.9 56.7 47.9 12.5 -12.6 1.7 110 111 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.2 326,-0.0 -3,-0.0 0.494 121.6 100.3 77.2 6.8 12.8 -8.9 1.5 111 112 A V E < S-O 108 0E 6 -3,-0.8 -3,-3.2 2,-0.0 -1,-0.2 -0.980 74.5-114.1-124.2 134.2 15.3 -8.8 -1.5 112 113 A P E >> -O 107 0E 4 0, 0.0 3,-1.9 0, 0.0 4,-0.8 -0.377 23.8-121.4 -64.5 146.9 14.3 -8.1 -5.2 113 114 A L H 3> S+ 0 0 0 -7,-2.2 4,-2.6 1,-0.3 5,-0.2 0.743 109.3 73.4 -56.8 -29.3 14.7 -10.9 -7.7 114 115 A T H 3> S+ 0 0 0 -8,-0.3 4,-1.7 1,-0.2 -1,-0.3 0.807 97.0 50.1 -51.2 -31.9 17.1 -8.7 -9.7 115 116 A H H <> S+ 0 0 1 -3,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.831 109.3 47.5 -85.0 -34.1 19.6 -9.4 -6.9 116 117 A Y H X S+ 0 0 3 -4,-0.8 4,-1.3 2,-0.2 -2,-0.2 0.815 110.9 54.2 -70.6 -33.8 19.1 -13.2 -6.9 117 118 A W H X S+ 0 0 11 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.926 106.8 51.5 -63.4 -44.4 19.5 -13.0 -10.7 118 119 A L H X S+ 0 0 7 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.893 105.4 53.7 -62.3 -43.0 22.8 -11.1 -10.3 119 120 A R H X S+ 0 0 38 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.868 111.0 47.4 -57.6 -38.6 24.3 -13.7 -8.0 120 121 A K H ><>S+ 0 0 29 -4,-1.3 5,-2.0 1,-0.2 3,-0.5 0.890 108.1 55.6 -67.1 -40.5 23.4 -16.4 -10.6 121 122 A R H ><5S+ 0 0 111 -4,-2.3 3,-0.9 1,-0.2 -2,-0.2 0.744 101.9 57.5 -62.8 -32.1 25.0 -14.2 -13.3 122 123 A E H 3<5S+ 0 0 101 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.800 103.8 52.9 -63.8 -35.5 28.2 -14.1 -11.2 123 124 A Q T <<5S- 0 0 136 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.284 134.1 -89.1 -87.3 7.4 28.3 -17.9 -11.4 124 125 A G T < 5 + 0 0 40 -3,-0.9 -3,-0.2 1,-0.3 -2,-0.1 0.331 69.2 158.9 106.7 -4.0 28.0 -17.8 -15.2 125 126 A F < - 0 0 55 -5,-2.0 -1,-0.3 1,-0.1 -2,-0.0 -0.311 22.3-164.0 -59.2 129.8 24.2 -17.8 -15.8 126 127 A Q + 0 0 170 -2,-0.1 -1,-0.1 2,-0.1 -5,-0.0 0.734 47.1 107.4 -99.5 -29.2 23.5 -16.4 -19.2 127 128 A Q S S- 0 0 53 1,-0.1 5,-0.1 2,-0.1 -6,-0.0 -0.272 76.1-104.9 -54.4 133.8 19.8 -15.5 -19.5 128 129 A P > - 0 0 69 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.300 28.4-113.5 -57.7 146.4 19.2 -11.6 -19.5 129 130 A M H >> S+ 0 0 3 1,-0.2 4,-2.5 2,-0.2 3,-0.7 0.876 112.9 48.1 -48.5 -53.0 17.8 -10.0 -16.3 130 131 A E H 3> S+ 0 0 9 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.821 110.1 52.2 -70.9 -27.3 14.4 -9.0 -17.7 131 132 A Y H 34 S+ 0 0 53 -3,-0.5 -1,-0.3 2,-0.2 -2,-0.2 0.731 115.6 43.0 -74.0 -24.1 13.8 -12.4 -19.2 132 133 A A H << S+ 0 0 5 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.1 0.894 120.7 38.6 -79.4 -42.6 14.6 -14.0 -15.8 133 134 A C H < S+ 0 0 2 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.475 113.5 48.4 -96.0 -8.7 12.6 -11.6 -13.6 134 135 A Y < - 0 0 10 -4,-1.2 -29,-0.1 -5,-0.2 364,-0.0 -0.988 64.2-145.0-136.2 142.9 9.5 -10.8 -15.6 135 136 A P S S+ 0 0 25 0, 0.0 4,-0.2 0, 0.0 366,-0.1 0.564 87.5 57.5 -84.8 -8.5 7.0 -13.2 -17.4 136 137 A Q >> + 0 0 9 2,-0.1 4,-1.8 1,-0.1 3,-0.7 0.639 69.8 91.9-101.2 -17.1 6.1 -11.2 -20.5 137 138 A P H 3> S+ 0 0 2 0, 0.0 4,-2.3 0, 0.0 3,-0.4 0.895 92.0 47.8 -52.1 -48.1 9.2 -10.3 -22.5 138 139 A G H 3> S+ 0 0 43 1,-0.2 4,-1.9 2,-0.2 -2,-0.1 0.850 109.2 55.6 -52.9 -36.8 9.0 -13.3 -24.8 139 140 A A H <4>S+ 0 0 9 -3,-0.7 5,-2.4 -4,-0.2 -1,-0.2 0.855 106.7 50.1 -65.1 -34.4 5.3 -12.6 -25.3 140 141 A L H ><5S+ 0 0 0 -4,-1.8 3,-1.7 -3,-0.4 -2,-0.2 0.888 106.3 54.3 -72.6 -42.1 6.3 -9.1 -26.5 141 142 A D H 3<5S+ 0 0 61 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.893 108.3 50.9 -49.2 -43.4 8.8 -10.7 -28.9 142 143 A G T 3<5S- 0 0 42 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.319 115.0-121.1 -79.3 7.1 5.8 -12.7 -30.2 143 144 A K T < 5 + 0 0 65 -3,-1.7 365,-3.0 1,-0.2 366,-0.5 0.807 54.3 165.5 55.7 38.1 3.8 -9.5 -30.6 144 145 A L B < -P 507 0F 20 -5,-2.4 363,-0.3 363,-0.3 -1,-0.2 -0.498 38.3-104.8 -87.6 151.4 1.1 -10.7 -28.3 145 146 A A - 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0 0 85 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.492 53.6-119.8 -77.2 138.2 22.3 -2.2 -3.2 431 432 A P - 0 0 43 0, 0.0 3,-0.1 0, 0.0 2,-0.1 -0.471 25.1-135.4 -66.3 146.4 18.7 -2.2 -4.5 432 433 A L - 0 0 7 1,-0.2 24,-0.2 -2,-0.1 23,-0.1 -0.191 63.6 -30.6 -82.9-169.5 17.4 1.3 -5.2 433 434 A T S S- 0 0 63 21,-0.2 23,-3.2 22,-0.1 2,-0.3 -0.172 72.3-171.1 -51.7 128.0 13.8 2.1 -3.9 434 435 A T - 0 0 63 21,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.900 12.7-147.4-119.8 155.4 11.6 -1.0 -3.8 435 436 A T - 0 0 11 -2,-0.3 7,-0.0 -330,-0.2 -328,-0.0 -0.872 11.9-157.0-114.8 149.0 7.9 -1.6 -3.2 436 437 A S + 0 0 108 -2,-0.3 2,-0.1 2,-0.1 -329,-0.1 0.390 68.3 101.0 -99.5 2.1 6.0 -4.5 -1.5 437 438 A F S S- 0 0 80 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.460 75.7-114.9 -79.5 156.1 2.8 -3.7 -3.4 438 439 A D > - 0 0 98 -2,-0.1 4,-2.3 1,-0.1 5,-0.2 -0.349 38.0 -95.0 -78.6 171.5 1.5 -5.5 -6.4 439 440 A D H > S+ 0 0 45 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.900 122.9 51.7 -51.0 -50.0 1.2 -3.7 -9.8 440 441 A S H 4 S+ 0 0 45 2,-0.2 4,-0.3 1,-0.2 -1,-0.2 0.916 111.3 45.2 -58.0 -50.7 -2.5 -2.8 -9.3 441 442 A T H >> S+ 0 0 54 1,-0.2 3,-1.1 2,-0.2 4,-0.7 0.922 115.1 48.3 -58.8 -46.9 -2.0 -1.2 -5.9 442 443 A Y H >< S+ 0 0 1 -4,-2.3 3,-0.8 1,-0.3 7,-0.4 0.907 111.6 48.7 -62.7 -44.2 1.0 0.7 -7.0 443 444 A Y T 3< S+ 0 0 11 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.440 114.2 49.4 -76.2 1.6 -0.8 2.0 -10.2 444 445 A E T <4 S+ 0 0 125 -3,-1.1 2,-0.6 -4,-0.3 -1,-0.2 0.427 96.2 70.4-115.8 -8.8 -3.8 3.0 -8.0 445 446 A T XX + 0 0 59 -3,-0.8 4,-2.3 -4,-0.7 3,-1.2 -0.720 57.9 175.1-110.9 78.7 -2.0 4.9 -5.2 446 447 A F H 3> S+ 0 0 18 -2,-0.6 4,-3.5 1,-0.3 5,-0.2 0.823 75.7 57.7 -59.8 -37.6 -0.8 8.1 -7.0 447 448 A D H 3> S+ 0 0 96 2,-0.2 4,-0.8 1,-0.2 -1,-0.3 0.797 113.6 43.7 -61.0 -29.6 0.6 9.9 -3.9 448 449 A Y H X> S+ 0 0 54 -3,-1.2 4,-2.7 2,-0.2 3,-0.6 0.960 116.3 43.3 -74.8 -61.8 2.9 6.8 -3.6 449 450 A E H 3< S+ 0 0 1 -4,-2.3 -2,-0.2 -7,-0.4 -3,-0.2 0.887 109.4 60.5 -50.0 -44.2 3.8 6.4 -7.3 450 451 A F H 3< S+ 0 0 9 -4,-3.5 3,-0.4 -5,-0.2 -1,-0.2 0.879 116.1 30.5 -51.4 -46.2 4.3 10.3 -7.6 451 452 A K H << S+ 0 0 102 -4,-0.8 2,-0.2 -3,-0.6 -1,-0.2 0.762 127.5 43.7 -85.0 -29.8 7.1 10.3 -5.0 452 453 A N S < S+ 0 0 41 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 -0.460 74.4 138.8-108.7 55.1 8.3 6.8 -5.8 453 454 A F + 0 0 15 -3,-0.4 2,-0.6 -2,-0.2 -1,-0.2 0.884 62.8 46.4 -75.6 -41.5 8.3 7.1 -9.6 454 455 A W S S- 0 0 14 -3,-0.2 -21,-0.2 4,-0.0 -1,-0.2 -0.927 76.7-173.8-107.3 120.5 11.5 5.3 -10.5 455 456 A L >> - 0 0 8 -2,-0.6 4,-1.8 -23,-0.1 3,-1.1 -0.513 42.8 -90.0-108.3 170.0 12.0 2.0 -8.7 456 457 A N H 3> S+ 0 0 4 -23,-3.2 4,-2.8 1,-0.2 5,-0.2 0.872 125.3 54.1 -41.6 -46.9 14.8 -0.6 -8.5 457 458 A G H 3> S+ 0 0 9 -24,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.791 104.6 53.9 -65.5 -31.5 13.3 -2.5 -11.5 458 459 A N H <> S+ 0 0 9 -3,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.960 113.1 41.9 -65.2 -50.7 13.4 0.6 -13.7 459 460 A Y H X S+ 0 0 10 -4,-1.8 4,-2.9 2,-0.2 5,-0.3 0.874 114.3 52.0 -63.0 -42.3 17.1 1.2 -13.0 460 461 A Y H X>S+ 0 0 0 -4,-2.8 4,-2.9 -5,-0.2 5,-0.6 0.941 106.1 54.2 -59.9 -50.0 17.9 -2.4 -13.3 461 462 A C H X5S+ 0 0 2 -4,-2.2 4,-1.2 1,-0.2 -1,-0.2 0.897 117.1 37.3 -47.4 -48.5 16.2 -2.7 -16.7 462 463 A I H X5S+ 0 0 2 -4,-1.7 4,-2.1 2,-0.2 -2,-0.2 0.966 121.5 42.4 -72.5 -51.7 18.2 0.2 -18.1 463 464 A F H <>S+ 0 0 1 -4,-2.9 5,-2.6 2,-0.2 4,-0.2 0.902 119.7 41.5 -64.2 -47.9 21.6 -0.5 -16.4 464 465 A A H ><5S+ 0 0 14 -4,-2.9 3,-0.9 -5,-0.3 -1,-0.2 0.876 112.8 57.7 -67.8 -38.0 21.6 -4.3 -17.0 465 466 A G H 3< - 0 0 21 -45,-0.2 3,-1.8 -359,-0.2 4,-0.4 -0.353 39.7-141.6 -59.5 116.7 24.5 -8.5 -2.1 475 476 A P G > S+ 0 0 80 0, 0.0 3,-1.7 0, 0.0 4,-0.2 0.841 96.1 68.5 -49.3 -37.4 26.8 -9.7 0.7 476 477 A L G > S+ 0 0 72 1,-0.3 3,-2.0 2,-0.2 4,-0.3 0.790 85.5 69.2 -51.1 -32.9 23.7 -10.7 2.8 477 478 A L G X S+ 0 0 1 -3,-1.8 3,-0.9 1,-0.3 -1,-0.3 0.732 84.7 68.4 -66.6 -22.4 22.8 -13.5 0.3 478 479 A Q G < S+ 0 0 133 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.587 104.4 45.0 -68.8 -12.1 25.9 -15.5 1.4 479 480 A H G < S+ 0 0 146 -3,-2.0 -1,-0.2 -4,-0.2 -2,-0.2 0.423 106.7 64.4-102.7 -6.0 24.1 -16.0 4.8 480 481 A R <> + 0 0 101 -3,-0.9 4,-1.6 -4,-0.3 3,-0.2 -0.498 47.3 150.4-123.1 60.3 20.7 -16.9 3.2 481 482 A P H > S+ 0 0 89 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.857 77.3 55.4 -61.4 -36.5 20.9 -20.2 1.2 482 483 A E H > S+ 0 0 171 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.874 107.1 50.1 -61.2 -39.2 17.2 -21.1 1.9 483 484 A S H > S+ 0 0 7 -3,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.848 107.1 54.8 -65.0 -37.3 16.1 -17.7 0.4 484 485 A I H X S+ 0 0 17 -4,-1.6 4,-1.4 2,-0.2 -2,-0.2 0.885 110.2 46.3 -63.4 -39.8 18.3 -18.4 -2.7 485 486 A E H X S+ 0 0 128 -4,-1.7 4,-1.3 2,-0.2 -2,-0.2 0.832 111.1 51.7 -72.2 -35.9 16.5 -21.7 -3.2 486 487 A K H X S+ 0 0 108 -4,-1.8 4,-1.3 2,-0.2 -2,-0.2 0.810 106.9 54.0 -67.5 -33.2 13.1 -20.0 -2.6 487 488 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.852 102.9 56.9 -67.6 -38.0 14.1 -17.5 -5.3 488 489 A E H X S+ 0 0 65 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.866 104.7 52.8 -57.4 -41.2 14.8 -20.4 -7.7 489 490 A A H X S+ 0 0 55 -4,-1.3 4,-2.0 2,-0.2 -1,-0.2 0.882 108.7 49.7 -59.0 -41.2 11.2 -21.5 -7.1 490 491 A M H X S+ 0 0 49 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.900 108.7 51.6 -68.2 -40.3 10.1 -18.0 -8.1 491 492 A F H X S+ 0 0 17 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.883 108.9 52.1 -59.9 -41.4 12.2 -18.1 -11.2 492 493 A A H X S+ 0 0 36 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.872 108.7 50.5 -60.4 -41.5 10.5 -21.4 -12.1 493 494 A S H X S+ 0 0 60 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.908 108.6 50.9 -60.5 -46.0 7.0 -19.8 -11.6 494 495 A I H X S+ 0 0 18 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.910 109.6 51.3 -58.3 -44.1 7.8 -16.9 -13.9 495 496 A R H X S+ 0 0 151 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.883 109.2 50.2 -63.6 -41.5 9.0 -19.3 -16.6 496 497 A R H X S+ 0 0 159 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.890 111.3 48.5 -60.8 -44.2 5.7 -21.3 -16.3 497 498 A E H X S+ 0 0 61 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.900 107.9 54.9 -63.4 -43.4 3.7 -18.1 -16.6 498 499 A A H X S+ 0 0 41 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.914 110.6 46.2 -53.1 -46.2 5.8 -17.1 -19.7 499 500 A E H X S+ 0 0 93 -4,-2.0 4,-1.2 2,-0.2 -2,-0.2 0.884 111.8 50.8 -66.1 -40.3 4.9 -20.5 -21.3 500 501 A R H >X S+ 0 0 126 -4,-2.1 4,-0.9 1,-0.2 3,-0.6 0.949 109.9 49.2 -61.6 -50.5 1.2 -20.2 -20.4 501 502 A L H >X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 3,-0.5 0.855 104.0 61.9 -55.7 -41.1 1.0 -16.6 -21.9 502 503 A R H 3< S+ 0 0 152 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 114.9 31.4 -52.1 -43.7 2.7 -17.9 -25.1 503 504 A T H << S+ 0 0 92 -4,-1.2 -1,-0.2 -3,-0.6 -2,-0.2 0.467 125.6 44.7 -98.0 -2.4 -0.2 -20.4 -25.8 504 505 A S H << S+ 0 0 57 -4,-0.9 -355,-0.4 -3,-0.5 -3,-0.2 0.716 88.9 84.4-113.7 -35.3 -3.0 -18.3 -24.3 505 506 A L S < S- 0 0 13 -4,-2.6 -357,-0.2 -5,-0.2 2,-0.1 -0.524 70.1-132.9 -75.9 141.0 -2.6 -14.6 -25.4 506 507 A P - 0 0 19 0, 0.0 -361,-2.7 0, 0.0 -359,-0.1 -0.462 39.6 -87.5 -76.2 164.3 -4.0 -13.6 -28.8 507 508 A T B > -P 144 0F 50 -363,-0.3 4,-2.3 -2,-0.1 -363,-0.3 -0.343 32.4-119.1 -65.1 155.2 -1.8 -11.5 -31.0 508 509 A N H > S+ 0 0 0 -365,-3.0 4,-2.8 -250,-0.2 5,-0.2 0.949 115.0 53.7 -58.8 -46.7 -1.8 -7.8 -30.5 509 510 A Y H > S+ 0 0 52 -366,-0.5 4,-2.4 1,-0.2 5,-0.2 0.954 111.5 42.0 -49.4 -64.0 -3.0 -7.4 -34.1 510 511 A D H > S+ 0 0 73 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.857 115.4 50.3 -53.8 -43.9 -6.0 -9.8 -33.7 511 512 A Y H X S+ 0 0 16 -4,-2.3 4,-1.5 2,-0.2 -1,-0.2 0.933 111.1 48.4 -62.0 -46.7 -7.0 -8.4 -30.3 512 513 A L H X S+ 0 0 7 -4,-2.8 4,-2.7 1,-0.2 3,-0.3 0.903 111.9 49.6 -58.1 -45.5 -6.9 -4.8 -31.6 513 514 A R H < S+ 0 0 117 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.837 107.7 55.1 -61.1 -35.4 -9.0 -5.8 -34.6 514 515 A S H < S+ 0 0 65 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.795 109.2 45.6 -71.2 -31.4 -11.5 -7.6 -32.3 515 516 A L H < 0 0 81 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.967 360.0 360.0 -70.8 -60.8 -11.9 -4.4 -30.3 516 517 A R < 0 0 227 -4,-2.7 -3,-0.1 -5,-0.1 -4,-0.1 -0.114 360.0 360.0 157.1 360.0 -12.2 -2.7 -33.7 517 ! 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 0.0 518 1520 A W 0 0 2 0, 0.0 -415,-0.6 0, 0.0 -63,-0.1 0.000 360.0 360.0 360.0 360.0 6.3 4.6 -14.0