==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUL-06 2HMK . COMPND 2 MOLECULE: NAPHTHALENE 1,2-DIOXYGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR D.J.FERRARO,A.L.OKERLUND,J.C.MOWERS,S.RAMASWAMY . 638 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26677.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 457 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 139 21.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 1 0.2 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 . 55 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 70 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.6 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 2 1 1 3 1 2 1 1 1 0 1 1 1 0 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 2 2 4 3 4 3 0 1 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 3 0 1 1 0 0 0 1 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 1 A M 0 0 93 0, 0.0 2,-0.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 138.3 2.1 71.4 105.7 2 2 A N >> - 0 0 84 1,-0.2 4,-2.9 2,-0.0 3,-1.0 -0.797 360.0-170.0 -93.7 102.3 4.5 70.4 108.5 3 3 A Y T 34 S+ 0 0 33 -2,-0.9 -1,-0.2 1,-0.3 5,-0.1 0.663 81.2 62.7 -72.7 -15.7 7.3 68.5 106.8 4 4 A N T 34 S+ 0 0 104 1,-0.1 -1,-0.3 -3,-0.1 421,-0.1 0.851 120.9 21.5 -68.6 -34.2 8.8 67.3 110.1 5 5 A N T <4 S+ 0 0 121 -3,-1.0 -2,-0.2 2,-0.0 2,-0.2 0.724 93.3 106.0-107.9 -33.4 5.7 65.3 110.8 6 6 A K < - 0 0 69 -4,-2.9 2,-1.4 1,-0.1 3,-0.2 -0.339 63.0-139.3 -62.1 124.8 3.8 64.7 107.6 7 7 A I + 0 0 113 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 -0.704 39.3 155.9 -84.6 93.3 4.0 61.1 106.4 8 8 A L S S+ 0 0 2 -2,-1.4 9,-2.6 1,-0.3 2,-0.4 0.740 72.7 35.1 -85.8 -29.1 4.5 61.7 102.6 9 9 A V B S-A 16 0A 10 -3,-0.2 -1,-0.3 7,-0.2 7,-0.2 -0.999 88.9-132.1-127.8 126.5 6.2 58.3 102.2 10 10 A S > - 0 0 32 5,-2.3 3,-2.0 -2,-0.4 4,-0.2 -0.219 44.7 -64.9 -76.4 166.1 5.1 55.4 104.3 11 11 A E G > S+ 0 0 119 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 -0.187 123.9 14.3 -53.6 139.5 7.5 53.1 106.2 12 12 A S G 3 S- 0 0 3 1,-0.2 -1,-0.3 -3,-0.1 406,-0.1 0.517 121.0 -85.1 71.0 11.2 9.8 51.0 103.9 13 13 A G G < S+ 0 0 0 -3,-2.0 -1,-0.2 404,-0.1 -2,-0.2 0.727 86.9 144.3 66.9 23.7 8.9 53.3 101.0 14 14 A L < + 0 0 45 -3,-1.2 371,-2.8 -4,-0.2 2,-0.3 0.729 66.4 2.0 -72.8 -22.6 5.8 51.2 100.3 15 15 A S E - B 0 384A 21 369,-0.2 -5,-2.3 -5,-0.2 2,-0.3 -0.978 59.8-151.8-158.6 159.5 3.6 54.1 99.2 16 16 A Q E -AB 9 383A 3 367,-1.9 367,-3.4 -2,-0.3 2,-0.3 -0.986 32.3-104.1-135.4 144.7 3.7 57.8 98.6 17 17 A K E > - B 0 382A 33 -9,-2.6 3,-2.1 -2,-0.3 365,-0.2 -0.537 28.4-132.2 -66.6 134.5 0.9 60.5 98.9 18 18 A H G > S+ 0 0 22 363,-2.6 3,-2.2 360,-0.4 4,-0.3 0.812 99.8 74.9 -61.8 -30.1 -0.1 61.4 95.3 19 19 A L G >> S+ 0 0 13 360,-2.3 4,-2.7 1,-0.3 3,-1.8 0.718 74.7 79.8 -54.6 -22.2 0.1 65.1 96.3 20 20 A I G <4 S+ 0 0 2 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.814 93.4 49.4 -59.2 -25.8 3.9 64.9 96.1 21 21 A H G <4 S+ 0 0 3 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.515 124.9 26.6 -86.7 -6.1 3.6 65.1 92.3 22 22 A G T <4 S+ 0 0 2 -3,-1.8 2,-0.5 351,-0.4 -2,-0.2 0.594 84.1 108.6-127.6 -19.7 1.4 68.2 92.4 23 23 A D X - 0 0 43 -4,-2.7 4,-2.1 1,-0.2 5,-0.1 -0.543 43.8-164.7 -81.2 119.2 1.8 70.3 95.6 24 24 A E H > S+ 0 0 67 -2,-0.5 4,-2.4 1,-0.2 -1,-0.2 0.829 89.3 56.3 -72.9 -30.8 3.5 73.6 94.8 25 25 A E H > S+ 0 0 126 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.916 109.2 48.0 -63.7 -39.7 4.4 74.3 98.5 26 26 A L H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.906 107.8 55.6 -66.7 -39.7 6.2 71.0 98.6 27 27 A F H X S+ 0 0 2 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.944 107.9 48.0 -55.7 -47.7 8.0 71.9 95.3 28 28 A Q H X S+ 0 0 112 -4,-2.4 4,-0.9 1,-0.2 -1,-0.2 0.903 111.2 51.6 -61.3 -37.8 9.2 75.1 97.0 29 29 A H H X S+ 0 0 27 -4,-1.9 4,-2.6 1,-0.2 3,-0.3 0.849 104.6 56.3 -66.7 -35.5 10.3 72.9 100.0 30 30 A E H X>S+ 0 0 0 -4,-2.6 5,-2.4 1,-0.2 4,-2.3 0.806 95.7 65.7 -65.4 -31.4 12.2 70.5 97.7 31 31 A L H <>S+ 0 0 30 -4,-1.5 5,-1.3 -5,-0.2 -1,-0.2 0.925 113.8 32.9 -55.3 -41.3 14.2 73.5 96.4 32 32 A K H <5S+ 0 0 137 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.926 129.6 31.8 -76.6 -51.8 15.6 73.7 99.9 33 33 A T H <5S+ 0 0 2 -4,-2.6 -3,-0.2 3,-0.1 -2,-0.2 0.639 132.8 23.4 -92.7 -18.4 15.7 70.1 101.1 34 34 A I T >X5S+ 0 0 0 -4,-2.3 4,-1.8 -5,-0.3 3,-0.5 0.760 129.0 31.3-105.7 -64.4 16.4 68.3 97.8 35 35 A F T 34> -C 147 0B 8 -2,-0.3 3,-2.1 103,-0.2 4,-1.1 -0.937 30.4-117.3-123.3 149.4 31.2 66.3 81.3 45 45 A D G >4 S+ 0 0 56 101,-2.3 3,-0.6 -2,-0.3 102,-0.1 0.849 114.3 65.2 -45.0 -39.6 34.9 66.9 80.8 46 46 A S G 34 S+ 0 0 30 1,-0.2 -1,-0.3 100,-0.2 138,-0.1 0.675 101.7 47.9 -63.0 -20.7 34.2 66.2 77.1 47 47 A L G <4 S+ 0 0 15 -3,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.666 125.3 26.9 -96.0 -21.7 32.1 69.3 76.8 48 48 A I S << S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 -0.385 76.1 143.8-132.7 59.9 34.5 71.7 78.6 49 49 A P + 0 0 72 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.772 55.0 58.2 -73.1 -28.5 37.9 70.1 77.9 50 50 A A S > S- 0 0 40 -3,-0.1 3,-2.5 1,-0.1 18,-0.3 -0.741 96.1 -85.9-108.6 151.1 40.1 73.2 77.5 51 51 A P T 3 S+ 0 0 70 0, 0.0 18,-0.2 0, 0.0 19,-0.1 -0.276 116.6 23.3 -50.9 133.2 40.9 76.2 79.8 52 52 A G T 3 S+ 0 0 7 16,-2.7 44,-2.1 1,-0.3 2,-0.1 0.130 88.5 132.6 92.0 -18.9 38.2 78.9 79.3 53 53 A D E < +E 95 0C 11 -3,-2.5 15,-2.7 42,-0.2 -1,-0.3 -0.435 31.8 172.2 -65.4 140.1 35.6 76.4 78.1 54 54 A Y E -EF 94 67C 14 40,-2.6 40,-2.1 13,-0.2 2,-0.3 -0.978 20.2-171.7-143.3 161.0 32.2 76.9 79.8 55 55 A V E -EF 93 66C 7 11,-1.8 11,-2.9 -2,-0.3 2,-0.3 -0.948 24.5-122.1-137.5 161.3 28.6 75.8 79.7 56 56 A T E + F 0 65C 9 36,-2.0 2,-0.3 -2,-0.3 9,-0.2 -0.811 33.7 174.3 -98.3 151.8 25.5 76.8 81.5 57 57 A A E - F 0 64C 2 7,-2.2 7,-3.3 -2,-0.3 2,-0.4 -0.971 28.5-117.3-147.7 155.2 23.5 74.4 83.6 58 58 A K E - F 0 63C 31 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.781 15.9-170.7 -90.6 145.7 20.6 74.3 85.9 59 59 A M E > S- F 0 62C 2 3,-2.6 3,-1.9 -2,-0.4 2,-0.2 -0.925 75.9 -48.3-128.2 102.3 20.9 73.3 89.5 60 60 A G T 3 S- 0 0 1 -2,-0.4 -29,-0.0 1,-0.3 -24,-0.0 -0.534 121.2 -28.9 63.4-131.7 17.3 73.1 90.6 61 61 A I T 3 S+ 0 0 78 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.483 122.7 96.5 -90.5 -5.3 15.7 76.3 89.4 62 62 A D E < -F 59 0C 74 -3,-1.9 -3,-2.6 16,-0.0 2,-0.4 -0.509 67.8-138.8 -80.8 152.5 19.0 78.2 89.6 63 63 A E E -F 58 0C 69 -5,-0.2 16,-2.7 -2,-0.2 2,-0.3 -0.952 21.1-171.5-111.6 136.4 21.3 78.6 86.6 64 64 A V E -FG 57 78C 0 -7,-3.3 -7,-2.2 -2,-0.4 2,-0.5 -0.886 23.3-132.0-125.0 154.4 25.1 78.3 87.0 65 65 A I E -FG 56 77C 0 12,-3.0 12,-2.3 -2,-0.3 2,-0.5 -0.927 21.7-159.7 -98.7 129.9 28.1 78.9 84.8 66 66 A V E -FG 55 76C 0 -11,-2.9 -11,-1.8 -2,-0.5 2,-0.4 -0.965 17.4-176.5-119.2 113.3 30.5 75.9 84.8 67 67 A S E -FG 54 75C 0 8,-2.8 8,-2.2 -2,-0.5 2,-0.6 -0.938 29.6-129.3-126.5 135.3 34.0 76.8 83.7 68 68 A R E - G 0 74C 26 -15,-2.7 -16,-2.7 -2,-0.4 6,-0.2 -0.695 34.2-143.6 -78.0 121.0 37.4 75.0 83.1 69 69 A Q > - 0 0 16 4,-2.9 3,-1.9 -2,-0.6 -16,-0.1 -0.357 22.9-107.3 -82.9 163.4 40.0 76.9 85.0 70 70 A N T 3 S+ 0 0 140 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.795 120.0 57.7 -60.6 -30.7 43.6 77.4 83.9 71 71 A D T 3 S- 0 0 131 2,-0.0 -1,-0.3 1,-0.0 3,-0.1 0.399 122.0-106.0 -81.6 1.3 44.8 74.9 86.4 72 72 A G S < S+ 0 0 40 -3,-1.9 -2,-0.1 1,-0.3 2,-0.1 0.358 83.6 118.4 91.5 -5.0 42.6 72.2 84.9 73 73 A S - 0 0 48 -5,-0.1 -4,-2.9 1,-0.0 2,-0.4 -0.322 60.3-125.6 -80.6 174.1 40.0 72.2 87.7 74 74 A I E -G 68 0C 22 -6,-0.2 2,-0.3 67,-0.1 -6,-0.2 -0.985 24.0-176.3-123.5 132.9 36.4 73.1 87.2 75 75 A R E -G 67 0C 77 -8,-2.2 -8,-2.8 -2,-0.4 2,-0.4 -0.940 8.9-154.6-124.4 152.5 34.5 75.8 89.2 76 76 A A E -G 66 0C 0 62,-0.4 62,-2.8 -2,-0.3 2,-0.3 -0.974 11.4-177.2-131.1 142.7 30.8 76.8 89.0 77 77 A F E -GH 65 137C 2 -12,-2.3 -12,-3.0 -2,-0.4 60,-0.2 -0.981 37.1 -92.1-138.1 147.2 29.1 80.0 89.8 78 78 A L E -G 64 0C 26 58,-3.2 2,-1.9 -2,-0.3 -14,-0.3 -0.359 37.4-126.2 -55.4 136.3 25.6 81.4 89.9 79 79 A N S S+ 0 0 2 -16,-2.7 9,-0.4 56,-0.1 2,-0.4 -0.386 76.5 108.3 -82.6 57.3 24.8 83.0 86.6 80 80 A V S S- 0 0 61 -2,-1.9 56,-0.4 7,-0.2 7,-0.2 -0.989 71.8-118.9-143.9 124.0 23.8 86.3 88.3 81 81 A C > - 0 0 6 5,-2.9 4,-1.1 -2,-0.4 -2,-0.1 -0.422 15.6-138.4 -65.9 137.9 25.7 89.6 88.4 82 82 A R T 4 S+ 0 0 104 51,-0.2 -1,-0.1 2,-0.1 52,-0.0 0.501 93.9 60.3 -75.1 -7.9 26.7 90.8 91.9 83 83 A H T 4 S- 0 0 57 3,-0.1 -1,-0.1 23,-0.0 -3,-0.0 0.909 131.4 -16.7 -82.6 -85.8 25.7 94.4 91.1 84 84 A R T 4 S- 0 0 187 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.099 96.2-102.3-116.3 16.6 22.0 94.6 90.3 85 85 A G < + 0 0 41 -4,-1.1 -3,-0.1 1,-0.2 2,-0.1 0.585 60.4 158.6 87.8 15.2 21.3 90.9 89.6 86 86 A K - 0 0 69 -6,-0.1 -5,-2.9 1,-0.1 2,-0.4 -0.349 53.3 -97.8 -69.9 149.4 21.2 90.6 85.8 87 87 A T - 0 0 66 -7,-0.2 15,-0.3 1,-0.2 -7,-0.2 -0.557 35.9-157.6 -69.1 124.9 21.8 87.2 84.2 88 88 A L S S+ 0 0 12 -9,-0.4 2,-0.5 -2,-0.4 14,-0.2 0.937 70.5 38.8 -73.1 -49.5 25.5 87.3 83.1 89 89 A V + 0 0 10 1,-0.1 -1,-0.2 -10,-0.1 12,-0.0 -0.913 52.1 179.3-114.9 125.6 25.7 84.7 80.4 90 90 A S + 0 0 103 -2,-0.5 2,-0.2 -3,-0.1 -1,-0.1 0.370 60.7 78.8-107.4 2.5 22.9 84.2 77.8 91 91 A V S S- 0 0 18 1,-0.1 426,-0.2 424,-0.0 3,-0.1 -0.588 73.7-132.1-106.6 172.9 24.5 81.4 75.8 92 92 A E S S+ 0 0 13 424,-2.6 -36,-2.0 1,-0.3 2,-0.3 0.712 82.2 0.4 -95.8 -27.6 24.7 77.6 76.5 93 93 A A E +E 55 0C 0 423,-1.1 425,-0.5 -38,-0.3 -1,-0.3 -0.988 69.5 123.3-159.3 156.2 28.4 77.0 75.8 94 94 A G E -E 54 0C 0 -40,-2.1 -40,-2.6 -2,-0.3 2,-0.4 -0.981 48.9 -91.0 176.4-169.7 31.6 78.8 74.7 95 95 A N E +E 53 0C 15 -2,-0.3 2,-0.3 -42,-0.3 -42,-0.2 -0.994 50.8 140.0-133.4 127.5 35.2 79.7 75.5 96 96 A A - 0 0 15 -44,-2.1 3,-0.1 -2,-0.4 -2,-0.1 -0.983 51.8-135.8-159.5 154.6 36.1 82.9 77.4 97 97 A K S S- 0 0 154 -2,-0.3 13,-2.0 1,-0.2 14,-0.3 0.495 91.0 -13.3 -87.8 -7.2 38.5 84.2 80.0 98 98 A G E -I 109 0D 25 11,-0.3 2,-0.4 12,-0.1 11,-0.2 -0.981 64.0-110.1-177.8 178.6 35.6 86.1 81.6 99 99 A F E -I 108 0D 12 9,-2.6 9,-2.9 -2,-0.3 2,-0.4 -0.998 20.5-155.1-135.7 124.9 32.1 87.3 81.4 100 100 A V E -I 107 0D 99 -2,-0.4 2,-0.3 7,-0.2 7,-0.2 -0.873 21.7-123.3-105.0 130.7 31.0 91.0 81.1 101 101 A C > - 0 0 4 5,-3.0 4,-1.4 -2,-0.4 -13,-0.1 -0.563 9.7-145.9 -73.3 130.7 27.5 92.1 82.3 102 102 A S T 4 S+ 0 0 91 -2,-0.3 -1,-0.1 -15,-0.3 -14,-0.1 0.451 90.5 61.5 -74.4 -3.0 25.4 93.8 79.6 103 103 A Y T 4 S- 0 0 151 3,-0.1 -1,-0.1 -17,-0.0 -3,-0.0 0.942 130.7 -9.1 -88.9 -68.4 23.7 96.1 82.2 104 104 A H T 4 S- 0 0 80 2,-0.1 -2,-0.2 0, 0.0 -3,-0.0 0.283 95.7-110.2-118.2 8.6 26.6 98.2 83.7 105 105 A G < + 0 0 21 -4,-1.4 -3,-0.1 1,-0.2 2,-0.1 0.605 51.6 166.9 82.7 13.0 29.6 96.3 82.2 106 106 A W - 0 0 11 11,-0.1 -5,-3.0 -6,-0.1 2,-0.5 -0.400 26.4-142.7 -58.0 136.8 31.1 94.7 85.3 107 107 A G E -IJ 100 116D 3 9,-3.0 8,-2.3 -7,-0.2 9,-2.0 -0.933 16.5-171.2-115.6 123.4 33.6 92.0 84.3 108 108 A F E -IJ 99 114D 1 -9,-2.9 -9,-2.6 -2,-0.5 6,-0.2 -0.840 20.3-123.8-109.2 142.9 34.0 88.8 86.1 109 109 A G E > -I 98 0D 0 4,-2.7 3,-2.2 -2,-0.3 -11,-0.3 -0.345 30.3-104.8 -76.3 166.4 36.8 86.2 85.5 110 110 A S T 3 S+ 0 0 14 -13,-2.0 -35,-0.2 1,-0.3 -43,-0.2 0.663 125.9 59.9 -57.3 -20.9 36.4 82.6 84.6 111 111 A N T 3 S- 0 0 39 -14,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.226 121.3-110.1 -93.1 10.5 37.3 82.1 88.2 112 112 A G S < S+ 0 0 3 -3,-2.2 23,-2.9 1,-0.2 -2,-0.1 0.289 71.8 138.9 84.7 -10.1 34.4 84.1 89.4 113 113 A E - 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0 0 50 -3,-1.8 -363,-2.6 1,-0.0 2,-0.6 -0.436 69.2-112.9 -82.2 162.7 -4.4 58.9 97.9 382 382 A D E -B 17 0A 87 -365,-0.2 2,-0.4 -2,-0.1 -365,-0.2 -0.868 13.3-150.2-109.6 117.7 -1.5 56.4 98.0 383 383 A L E -B 16 0A 39 -367,-3.4 -367,-1.9 -2,-0.6 2,-0.4 -0.708 30.2-130.2 -73.9 131.0 0.8 55.7 95.1 384 384 A L E +B 15 0A 119 -2,-0.4 -369,-0.2 -369,-0.2 -370,-0.1 -0.740 40.3 160.6 -96.8 132.2 1.9 52.0 95.5 385 385 A S + 0 0 0 -371,-2.8 -370,-0.1 -2,-0.4 29,-0.1 -0.331 39.1 117.2-137.2 56.1 5.5 50.7 95.3 386 386 A N > + 0 0 89 2,-0.1 3,-2.2 3,-0.1 2,-0.2 0.457 29.4 128.0-103.2 -3.1 5.2 47.4 97.1 387 387 A L T 3 S+ 0 0 63 1,-0.3 23,-2.0 -373,-0.1 24,-0.1 -0.366 85.1 8.1 -61.7 121.8 6.1 45.0 94.3 388 388 A G T > S+ 0 0 14 1,-0.3 3,-2.0 -2,-0.2 4,-0.3 0.395 87.8 154.2 90.4 -3.6 8.9 42.7 95.6 389 389 A F T < + 0 0 51 -3,-2.2 -1,-0.3 1,-0.3 55,-0.1 -0.371 65.0 28.0 -64.6 133.7 8.6 43.9 99.2 390 390 A G T 3 S+ 0 0 31 55,-0.4 -1,-0.3 53,-0.4 54,-0.1 0.376 109.3 74.4 92.5 -0.0 9.8 41.2 101.6 391 391 A E < + 0 0 151 -3,-2.0 14,-0.5 2,-0.1 2,-0.2 0.317 68.5 107.2-118.9 3.0 12.2 39.6 99.1 392 392 A D - 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0 0 7 -3,-1.7 3,-0.1 -4,-0.1 -423,-0.0 -0.849 61.1-154.2-118.7 148.7 15.4 67.0 107.7 427 427 A S S S- 0 0 84 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.563 78.5 -2.6 -95.6 -10.5 17.0 70.5 108.1 428 428 A N S > S- 0 0 51 1,-0.1 4,-2.0 -5,-0.0 5,-0.2 -0.955 83.9 -83.0-167.3 174.3 20.5 69.5 107.2 429 429 A W H > S+ 0 0 7 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.846 121.4 58.5 -61.5 -37.0 22.8 66.5 106.3 430 430 A A H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.937 108.1 46.8 -60.5 -42.1 23.3 65.6 110.0 431 431 A E H > S+ 0 0 83 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.885 110.0 52.7 -67.6 -39.7 19.6 65.1 110.4 432 432 A F H X S+ 0 0 0 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.917 109.2 50.6 -59.1 -41.9 19.3 63.1 107.2 433 433 A E H >< S+ 0 0 56 -4,-2.5 3,-1.1 1,-0.2 4,-0.3 0.941 110.2 48.6 -64.7 -43.8 22.1 60.8 108.5 434 434 A H H >< S+ 0 0 159 -4,-2.4 3,-0.9 1,-0.3 -1,-0.2 0.896 111.7 50.1 -60.2 -40.2 20.2 60.4 111.8 435 435 A A H 3< S+ 0 0 44 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.563 114.8 45.6 -73.9 -8.2 17.0 59.6 109.8 436 436 A S T X< S+ 0 0 0 -3,-1.1 3,-1.7 -4,-0.6 -1,-0.2 0.243 72.9 110.0-120.4 11.4 18.9 57.1 107.7 437 437 A S T < S+ 0 0 92 -3,-0.9 -1,-0.1 -4,-0.3 -2,-0.1 0.662 93.4 32.2 -69.0 -16.0 20.9 55.1 110.3 438 438 A T T 3> S+ 0 0 82 -4,-0.1 4,-2.3 -3,-0.1 -1,-0.3 -0.130 81.3 134.1-123.6 37.3 18.7 52.0 109.7 439 439 A W H <> S+ 0 0 18 -3,-1.7 4,-1.5 1,-0.2 -2,-0.1 0.895 72.6 42.9 -59.5 -45.1 18.0 52.6 106.0 440 440 A H H > S+ 0 0 56 -4,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.894 111.9 54.2 -75.3 -33.9 18.7 49.1 104.7 441 441 A T H > S+ 0 0 73 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.914 107.7 51.4 -60.9 -43.0 16.8 47.4 107.6 442 442 A E H >< S+ 0 0 41 -4,-2.3 3,-0.5 1,-0.2 -1,-0.2 0.889 111.4 47.6 -60.2 -39.6 13.8 49.5 106.8 443 443 A L H 3< S+ 0 0 2 -4,-1.5 -53,-0.4 1,-0.2 -51,-0.2 0.755 111.4 48.9 -78.2 -22.8 13.9 48.5 103.2 444 444 A T H 3< S+ 0 0 41 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.372 80.1 125.3-102.6 4.8 14.3 44.7 103.8 445 445 A K << 0 0 79 -4,-0.7 -55,-0.4 -3,-0.5 -53,-0.2 -0.036 360.0 360.0 -51.2 165.4 11.5 44.2 106.3 446 446 A T 0 0 152 -57,-0.1 -56,-0.1 -56,-0.1 -1,-0.1 -0.734 360.0 360.0-119.1 360.0 8.8 41.6 105.6 447 !* 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 0.0 448 3 B I 0 0 109 0, 0.0 2,-0.8 0, 0.0 17,-0.1 0.000 360.0 360.0 360.0 136.5 24.9 88.8 49.7 449 4 B N >> - 0 0 77 1,-0.1 4,-3.1 2,-0.0 3,-0.8 -0.838 360.0-168.2 -92.4 106.1 28.2 90.0 51.1 450 5 B I T 34 S+ 0 0 65 -2,-0.8 6,-0.2 1,-0.3 -1,-0.1 0.589 83.7 64.5 -77.3 -8.7 28.3 88.4 54.6 451 6 B Q T 34 S+ 0 0 176 1,-0.1 -1,-0.3 4,-0.1 3,-0.2 0.806 115.6 31.4 -75.3 -31.5 31.2 90.6 55.6 452 7 B E T <4 S+ 0 0 145 -3,-0.8 2,-1.7 1,-0.2 -2,-0.2 0.878 116.3 56.2 -87.3 -47.6 28.9 93.6 55.3 453 8 B D S >< S- 0 0 97 -4,-3.1 3,-1.9 1,-0.2 -1,-0.2 -0.633 78.6-175.5 -86.2 82.8 25.6 91.9 56.3 454 9 B K T 3 S+ 0 0 185 -2,-1.7 -1,-0.2 1,-0.3 -4,-0.1 0.667 70.3 54.2 -64.7 -22.3 27.1 90.8 59.5 455 10 B L T 3 S+ 0 0 176 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.492 86.4 100.0 -88.7 -5.1 24.2 88.7 60.8 456 11 B V < - 0 0 39 -3,-1.9 2,-0.1 -6,-0.2 -3,-0.0 -0.693 65.9-136.9 -94.0 132.2 23.9 86.4 57.8 457 12 B S > - 0 0 51 -2,-0.4 4,-2.2 1,-0.1 5,-0.2 -0.481 20.5-119.0 -81.8 153.2 25.4 82.9 57.7 458 13 B A H > S+ 0 0 52 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.918 115.4 53.3 -56.0 -42.9 27.4 81.6 54.7 459 14 B H H > S+ 0 0 71 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.950 109.0 47.4 -58.6 -48.9 24.8 78.8 54.4 460 15 B D H > S+ 0 0 80 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.877 110.3 52.3 -62.2 -37.7 21.9 81.2 54.3 461 16 B A H X S+ 0 0 13 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.879 109.3 50.5 -65.5 -37.6 23.6 83.4 51.7 462 17 B E H X S+ 0 0 114 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.896 109.3 51.0 -64.8 -43.1 24.2 80.4 49.5 463 18 B E H X S+ 0 0 14 -4,-2.1 4,-0.6 1,-0.2 3,-0.3 0.863 108.0 51.0 -67.6 -35.4 20.6 79.3 49.6 464 19 B I H >X S+ 0 0 62 -4,-1.8 4,-1.6 1,-0.2 3,-1.3 0.898 102.7 60.1 -71.8 -35.0 19.2 82.7 48.8 465 20 B L H 3X S+ 0 0 104 -4,-1.6 4,-0.9 1,-0.3 -1,-0.2 0.829 97.0 64.7 -55.7 -32.9 21.5 82.9 45.7 466 21 B R H 3< S+ 0 0 73 -4,-1.0 4,-0.4 -3,-0.3 -1,-0.3 0.790 110.3 32.7 -61.1 -32.5 19.7 79.7 44.5 467 22 B F H << S+ 0 0 16 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.649 106.6 65.0-104.7 -20.6 16.3 81.4 44.1 468 23 B F H < S+ 0 0 159 -4,-1.6 3,-0.2 1,-0.1 -2,-0.1 0.779 99.8 58.9 -75.0 -25.2 17.2 85.0 43.1 469 24 B N S < S+ 0 0 119 -4,-0.9 2,-0.5 1,-0.2 -2,-0.1 0.938 109.1 16.6 -73.0 -61.6 18.7 83.8 39.8 470 25 B C - 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