==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JAN-04 1UUW . COMPND 2 MOLECULE: NAPHTHALENE 1,2-DIOXYGENASE ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS PUTIDA; . AUTHOR A.KARLSSON,J.V.PARALES,R.E.PARALES,D.T.GIBSON,H.EKLUND, . 640 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 459 71.7 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 . 141 22.0 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 . 59 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 67 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 155 24.2 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 2 0 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 . 3 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,-1.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 118.2 2.1 71.7 106.6 2 2 A N >> - 0 0 88 1,-0.1 4,-3.0 2,-0.0 3,-0.9 -0.737 360.0-168.5 -68.5 99.6 4.6 70.7 109.4 3 3 A Y T 34 S+ 0 0 32 -2,-1.0 -1,-0.1 1,-0.2 5,-0.1 0.570 82.4 64.3 -71.9 -9.3 7.3 68.8 107.5 4 4 A N T 34 S+ 0 0 107 1,-0.1 -1,-0.2 3,-0.0 421,-0.1 0.838 119.6 20.5 -75.4 -37.6 8.8 67.5 110.8 5 5 A N T <4 S+ 0 0 122 -3,-0.9 -2,-0.2 2,-0.0 2,-0.1 0.766 94.7 105.3-103.2 -34.8 5.6 65.5 111.6 6 6 A K < - 0 0 71 -4,-3.0 2,-1.3 1,-0.1 3,-0.2 -0.287 64.2-139.2 -57.9 122.4 3.8 65.0 108.3 7 7 A I + 0 0 118 1,-0.2 3,-0.1 -2,-0.1 -1,-0.1 -0.684 37.6 158.5 -81.8 96.8 4.1 61.4 107.1 8 8 A L S S+ 0 0 2 -2,-1.3 9,-2.0 1,-0.3 2,-0.4 0.753 72.6 35.2 -88.4 -27.4 4.6 62.0 103.3 9 9 A V B S-A 16 0A 9 -3,-0.2 -1,-0.3 7,-0.2 7,-0.2 -0.990 87.9-131.5-127.8 122.1 6.3 58.5 102.9 10 10 A S > - 0 0 33 5,-2.1 3,-1.9 -2,-0.4 4,-0.1 -0.105 47.2 -64.9 -66.2 167.8 5.1 55.6 105.0 11 11 A E G > S+ 0 0 115 1,-0.3 3,-1.2 2,-0.2 -1,-0.2 -0.271 125.0 14.7 -55.0 138.0 7.5 53.3 106.9 12 12 A S G 3 S- 0 0 2 1,-0.2 -1,-0.3 -3,-0.1 406,-0.1 0.605 122.2 -84.9 70.2 14.6 9.9 51.3 104.6 13 13 A G G < S+ 0 0 0 -3,-1.9 -1,-0.2 404,-0.1 -2,-0.2 0.746 86.4 145.1 61.3 26.0 8.9 53.6 101.7 14 14 A L < + 0 0 47 -3,-1.2 371,-3.0 -4,-0.1 2,-0.3 0.806 65.8 7.6 -64.9 -32.8 5.8 51.4 101.0 15 15 A S E - B 0 384A 20 369,-0.2 -5,-2.1 370,-0.1 2,-0.3 -0.977 60.1-154.0-148.1 155.0 3.6 54.3 100.0 16 16 A Q E -AB 9 383A 4 367,-1.8 367,-3.5 -2,-0.3 2,-0.3 -0.987 32.1-106.5-130.6 146.1 3.7 58.1 99.2 17 17 A K E > - B 0 382A 35 -9,-2.0 3,-2.6 -2,-0.3 4,-0.3 -0.548 27.2-132.0 -71.0 128.0 1.0 60.7 99.5 18 18 A H G > S+ 0 0 20 363,-2.6 3,-2.0 -2,-0.3 4,-0.2 0.816 99.8 74.8 -53.0 -30.8 -0.1 61.7 96.0 19 19 A L G >> S+ 0 0 13 360,-2.0 4,-3.1 1,-0.3 3,-2.0 0.703 74.8 78.9 -56.8 -20.6 0.2 65.4 96.9 20 20 A I G <4 S+ 0 0 2 -3,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.796 93.7 50.2 -61.6 -23.6 4.0 65.2 96.7 21 21 A H G <4 S+ 0 0 3 -3,-2.0 -1,-0.3 -4,-0.3 -2,-0.2 0.488 125.0 26.2 -89.4 -1.9 3.7 65.4 92.9 22 22 A G T <4 S+ 0 0 1 -3,-2.0 2,-0.4 351,-0.3 -2,-0.2 0.619 84.1 108.8-133.9 -23.2 1.4 68.5 93.1 23 23 A D X - 0 0 45 -4,-3.1 4,-2.0 1,-0.2 5,-0.1 -0.494 43.4-164.4 -74.2 119.8 1.9 70.6 96.2 24 24 A E H > S+ 0 0 67 -2,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.850 90.4 54.9 -71.6 -34.4 3.6 73.9 95.5 25 25 A E H > S+ 0 0 127 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.943 109.8 47.2 -63.3 -44.9 4.4 74.6 99.2 26 26 A L H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.913 108.9 55.4 -62.2 -40.1 6.2 71.2 99.3 27 27 A F H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 3,-0.2 0.942 108.2 48.4 -55.0 -48.0 8.0 72.1 96.0 28 28 A Q H X S+ 0 0 116 -4,-2.5 4,-1.0 1,-0.2 -2,-0.2 0.912 111.0 50.2 -59.9 -43.2 9.2 75.3 97.8 29 29 A H H X S+ 0 0 32 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.796 106.2 56.7 -65.2 -29.2 10.3 73.3 100.8 30 30 A E H X>S+ 0 0 0 -4,-2.2 4,-2.8 -3,-0.2 5,-2.1 0.852 95.3 64.3 -71.1 -34.7 12.2 70.9 98.4 31 31 A L H <>S+ 0 0 28 -4,-1.6 5,-1.6 3,-0.2 -1,-0.2 0.947 114.5 33.9 -51.8 -44.2 14.2 73.8 97.0 32 32 A K H <5S+ 0 0 139 -4,-1.0 -2,-0.2 3,-0.2 -1,-0.2 0.948 129.1 31.7 -75.2 -53.0 15.6 74.0 100.5 33 33 A T H <5S+ 0 0 1 -4,-2.7 -3,-0.2 3,-0.1 -2,-0.2 0.593 132.3 23.5 -92.1 -14.3 15.8 70.4 101.7 34 34 A I T X5S+ 0 0 0 -4,-2.8 4,-1.8 -5,-0.2 3,-0.4 0.715 128.8 32.8-109.0 -61.8 16.4 68.5 98.5 35 35 A F T 4> -C 147 0B 8 -2,-0.3 3,-2.9 103,-0.2 4,-1.1 -0.953 29.5-119.2-124.2 144.3 31.0 66.5 82.0 45 45 A D T 34 S+ 0 0 51 101,-2.3 3,-0.4 -2,-0.3 102,-0.1 0.840 114.4 62.8 -43.2 -40.4 34.8 67.1 81.4 46 46 A S T 34 S+ 0 0 30 1,-0.2 -1,-0.3 100,-0.2 135,-0.1 0.617 101.5 51.9 -65.6 -12.8 34.2 66.4 77.7 47 47 A L T <4 S+ 0 0 14 -3,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.757 125.0 22.5 -96.1 -28.2 32.0 69.5 77.6 48 48 A I S < S+ 0 0 0 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 -0.428 75.9 143.5-132.0 63.9 34.5 71.9 79.1 49 49 A P + 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.783 54.9 64.0 -76.0 -27.6 37.9 70.4 78.6 50 50 A A S > S- 0 0 40 -3,-0.1 3,-2.3 1,-0.1 18,-0.3 -0.671 96.5 -88.7-102.5 152.5 40.0 73.5 77.9 51 51 A P T 3 S+ 0 0 73 0, 0.0 18,-0.2 0, 0.0 19,-0.1 -0.312 115.5 22.3 -54.4 133.1 40.8 76.4 80.3 52 52 A G T 3 S+ 0 0 5 16,-2.5 44,-2.3 1,-0.4 2,-0.2 0.278 88.5 134.7 88.5 -11.8 38.1 79.1 80.0 53 53 A D E < +E 95 0C 10 -3,-2.3 15,-2.6 42,-0.3 -1,-0.4 -0.523 31.3 173.6 -66.5 138.2 35.5 76.7 78.6 54 54 A Y E -EF 94 67C 14 40,-2.6 40,-1.8 13,-0.2 2,-0.3 -0.978 21.9-170.9-143.6 157.7 32.2 77.1 80.4 55 55 A V E -EF 93 66C 10 11,-1.6 11,-2.9 -2,-0.3 2,-0.3 -0.933 24.3-126.3-134.3 159.2 28.6 75.9 80.3 56 56 A T E + F 0 65C 9 36,-1.8 2,-0.3 -2,-0.3 9,-0.2 -0.821 34.2 175.7-100.1 154.2 25.5 77.2 82.2 57 57 A A E - F 0 64C 2 7,-2.2 7,-3.0 -2,-0.3 2,-0.3 -0.976 28.2-114.6-151.9 155.6 23.5 74.7 84.1 58 58 A K E - F 0 63C 32 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.747 17.7-173.7 -93.6 148.0 20.6 74.5 86.5 59 59 A M E > S- F 0 62C 2 3,-2.5 3,-1.8 -2,-0.3 2,-0.3 -0.893 77.2 -45.7-136.1 97.4 20.9 73.5 90.2 60 60 A G T 3 S- 0 0 2 -2,-0.4 -29,-0.0 1,-0.3 -24,-0.0 -0.613 120.3 -32.8 69.6-134.5 17.3 73.4 91.3 61 61 A I T 3 S+ 0 0 78 -2,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.398 121.9 100.3 -93.5 -2.3 15.7 76.6 89.9 62 62 A D E < -F 59 0C 75 -3,-1.8 -3,-2.5 16,-0.0 2,-0.4 -0.541 66.8-140.8 -80.5 149.7 19.1 78.4 90.3 63 63 A E E -F 58 0C 68 -5,-0.2 16,-2.6 -2,-0.2 2,-0.3 -0.942 20.9-173.4-112.7 135.8 21.3 78.9 87.3 64 64 A V E -FG 57 78C 0 -7,-3.0 -7,-2.2 -2,-0.4 2,-0.5 -0.919 24.3-130.4-126.8 155.3 25.1 78.6 87.6 65 65 A I E -FG 56 77C 1 12,-3.1 12,-2.4 -2,-0.3 2,-0.6 -0.903 21.8-158.8-100.2 128.3 28.1 79.1 85.4 66 66 A V E -FG 55 76C 0 -11,-2.9 -11,-1.6 -2,-0.5 2,-0.4 -0.942 18.4-177.9-115.5 112.4 30.5 76.1 85.4 67 67 A S E -FG 54 75C 0 8,-2.7 8,-2.2 -2,-0.6 2,-0.5 -0.933 30.1-130.0-127.1 134.4 34.0 77.0 84.3 68 68 A R E - G 0 74C 27 -15,-2.6 -16,-2.5 -2,-0.4 6,-0.2 -0.641 33.3-144.0 -75.6 120.4 37.3 75.3 83.7 69 69 A Q > - 0 0 17 4,-3.1 3,-1.8 -2,-0.5 -16,-0.1 -0.393 23.1-107.4 -81.7 162.2 40.0 77.2 85.6 70 70 A N T 3 S+ 0 0 144 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.824 119.3 58.5 -55.4 -36.0 43.6 77.7 84.4 71 71 A D T 3 S- 0 0 130 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.386 122.6-105.9 -78.7 4.5 44.9 75.2 87.0 72 72 A G S < S+ 0 0 41 -3,-1.8 -2,-0.1 1,-0.3 -1,-0.1 0.348 83.5 119.6 90.3 -7.8 42.6 72.5 85.5 73 73 A S - 0 0 47 -5,-0.1 -4,-3.1 1,-0.0 2,-0.4 -0.284 59.6-124.3 -81.8 174.1 40.0 72.6 88.3 74 74 A I E -G 68 0C 24 -6,-0.2 2,-0.3 67,-0.1 -6,-0.2 -0.986 24.3-177.8-122.8 131.0 36.4 73.4 87.9 75 75 A R E -G 67 0C 79 -8,-2.2 -8,-2.7 -2,-0.4 2,-0.4 -0.916 10.0-154.0-122.7 151.7 34.5 76.1 89.8 76 76 A A E -G 66 0C 0 62,-0.4 62,-2.9 -2,-0.3 2,-0.3 -0.990 11.3-174.4-131.1 138.7 30.8 77.0 89.6 77 77 A F E -GH 65 137C 5 -12,-2.4 -12,-3.1 -2,-0.4 60,-0.2 -0.942 35.6 -94.7-133.4 150.9 29.1 80.3 90.3 78 78 A L E -G 64 0C 24 58,-2.8 2,-2.1 -2,-0.3 -14,-0.3 -0.386 38.5-126.4 -58.6 133.5 25.6 81.8 90.6 79 79 A N S S+ 0 0 2 -16,-2.6 9,-0.8 -2,-0.1 2,-0.4 -0.319 75.8 109.5 -83.3 57.8 24.8 83.3 87.2 80 80 A V B S-I 87 0D 59 -2,-2.1 56,-0.3 7,-0.3 7,-0.2 -0.991 71.3-119.7-141.6 125.5 23.9 86.6 88.9 81 81 A C > - 0 0 6 5,-3.3 4,-1.1 -2,-0.4 53,-0.1 -0.438 17.7-138.6 -66.4 135.6 25.7 90.0 88.9 82 82 A R T 4 S+ 0 0 105 51,-0.2 -1,-0.1 2,-0.1 52,-0.1 0.534 93.3 58.6 -70.2 -12.3 26.8 91.1 92.4 83 83 A H T 4 S- 0 0 60 3,-0.1 -1,-0.1 50,-0.0 -3,-0.0 0.918 131.5 -13.9 -80.9 -85.6 25.7 94.8 91.8 84 84 A R T 4 S- 0 0 184 2,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.167 95.4-105.1-110.2 16.7 22.0 94.9 90.8 85 85 A G < + 0 0 43 -4,-1.1 -3,-0.1 1,-0.2 3,-0.1 0.625 58.9 157.8 81.8 16.1 21.3 91.2 90.2 86 86 A K - 0 0 74 1,-0.1 -5,-3.3 -6,-0.1 2,-0.4 -0.303 54.6 -95.2 -66.2 155.9 21.1 90.9 86.4 87 87 A T B -I 80 0D 71 -7,-0.2 -7,-0.3 1,-0.1 -1,-0.1 -0.643 36.9-155.3 -75.1 127.5 21.8 87.5 84.8 88 88 A L S S+ 0 0 11 -9,-0.8 2,-0.4 -2,-0.4 14,-0.3 0.955 70.4 35.9 -76.3 -50.7 25.4 87.5 83.8 89 89 A V - 0 0 10 -10,-0.1 -1,-0.2 1,-0.1 12,-0.0 -0.905 53.6-175.5-113.4 129.1 25.7 85.0 81.0 90 90 A S + 0 0 108 -2,-0.4 2,-0.2 -3,-0.1 -1,-0.1 0.347 61.0 76.8-105.9 6.2 23.0 84.5 78.4 91 91 A V S S- 0 0 18 1,-0.1 428,-0.2 426,-0.0 3,-0.1 -0.635 74.1-129.9-112.0 171.8 24.4 81.6 76.4 92 92 A E S S- 0 0 13 426,-2.7 -36,-1.8 1,-0.3 2,-0.3 0.682 83.5 -5.0 -95.5 -20.9 24.6 77.8 77.1 93 93 A A E +E 55 0C 0 425,-1.0 427,-0.5 -38,-0.3 -1,-0.3 -0.982 68.7 121.0-167.1 159.7 28.3 77.3 76.4 94 94 A G E -E 54 0C 0 -40,-1.8 -40,-2.6 -2,-0.3 2,-0.4 -0.977 49.3 -86.4 169.3-164.9 31.5 79.0 75.2 95 95 A N E +E 53 0C 12 -2,-0.3 2,-0.3 -42,-0.2 -42,-0.3 -0.995 49.5 138.1-137.4 131.6 35.1 80.0 76.1 96 96 A A - 0 0 17 -44,-2.3 3,-0.1 -2,-0.4 -2,-0.1 -0.982 51.0-132.6-165.6 155.9 36.2 83.1 77.9 97 97 A K S S- 0 0 159 -2,-0.3 13,-2.2 1,-0.1 2,-0.3 0.564 91.6 -6.8 -88.6 -10.8 38.6 84.4 80.6 98 98 A G E -J 109 0E 25 11,-0.3 2,-0.4 12,-0.1 11,-0.3 -0.980 63.9-116.0-167.6 178.0 35.8 86.4 82.2 99 99 A F E -J 108 0E 14 9,-3.1 9,-3.2 -2,-0.3 2,-0.4 -0.996 18.4-156.0-134.6 129.4 32.3 87.7 82.0 100 100 A V E -J 107 0E 98 -2,-0.4 2,-0.4 7,-0.2 7,-0.2 -0.893 19.3-127.3-108.1 130.7 31.1 91.2 81.7 101 101 A C > - 0 0 1 5,-2.8 4,-1.7 -2,-0.4 -13,-0.1 -0.621 9.7-149.4 -77.8 127.5 27.7 92.4 82.9 102 102 A S T 4 S+ 0 0 93 -2,-0.4 -1,-0.1 -14,-0.3 -14,-0.1 0.485 87.1 67.3 -78.9 -1.5 25.8 94.2 80.2 103 103 A Y T 4 S- 0 0 149 3,-0.1 -1,-0.2 1,-0.0 -3,-0.0 0.969 129.1 -11.1 -79.3 -67.7 23.9 96.4 82.7 104 104 A H T 4 S- 0 0 79 2,-0.1 -2,-0.2 0, 0.0 -1,-0.0 0.264 96.2-107.5-117.7 9.0 26.7 98.6 84.2 105 105 A G < + 0 0 26 -4,-1.7 -3,-0.1 1,-0.2 11,-0.0 0.570 52.9 165.4 83.2 8.7 29.8 96.8 82.8 106 106 A W - 0 0 13 11,-0.1 -5,-2.8 -6,-0.1 2,-0.5 -0.341 28.8-140.5 -59.7 138.4 31.2 95.1 85.9 107 107 A G E -JK 100 116E 4 9,-3.0 8,-2.6 -7,-0.2 9,-1.7 -0.933 18.4-172.6-113.4 118.8 33.8 92.5 84.9 108 108 A F E -JK 99 114E 2 -9,-3.2 -9,-3.1 -2,-0.5 6,-0.2 -0.808 18.3-130.1-106.2 146.6 34.1 89.2 86.5 109 109 A G E > -J 98 0E 0 4,-2.3 3,-2.1 -2,-0.3 -11,-0.3 -0.424 31.6-102.9 -87.1 167.6 36.9 86.6 85.9 110 110 A S T 3 S+ 0 0 13 -13,-2.2 -35,-0.2 1,-0.3 -43,-0.1 0.606 125.4 60.9 -62.5 -13.1 36.3 82.9 85.2 111 111 A N T 3 S- 0 0 39 -14,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.203 120.3-112.1 -97.5 11.2 37.4 82.5 88.8 112 112 A G S < S+ 0 0 3 -3,-2.1 23,-2.6 1,-0.2 -2,-0.1 0.362 70.2 141.3 80.2 -5.4 34.4 84.6 89.9 113 113 A E - 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0 0 49 -3,-1.7 -363,-2.6 1,-0.1 2,-0.6 -0.439 68.1-115.4 -79.3 160.4 -4.4 59.1 98.5 382 382 A D E -B 17 0A 83 -365,-0.2 2,-0.4 -2,-0.1 -365,-0.2 -0.865 13.9-148.5-103.4 119.2 -1.5 56.6 98.7 383 383 A L E -B 16 0A 43 -367,-3.5 -367,-1.8 -2,-0.6 2,-0.4 -0.695 29.0-129.0 -77.2 135.6 0.7 55.8 95.8 384 384 A L E +B 15 0A 119 -2,-0.4 -369,-0.2 -369,-0.2 -370,-0.1 -0.729 41.0 159.5 -98.8 133.5 1.9 52.2 96.1 385 385 A S + 0 0 0 -371,-3.0 29,-0.2 -2,-0.4 -370,-0.1 -0.307 39.8 116.4-140.1 53.5 5.5 50.9 96.0 386 386 A N > + 0 0 91 3,-0.1 3,-2.1 2,-0.1 2,-0.3 0.401 31.2 128.6-105.2 -1.2 5.1 47.6 97.8 387 387 A L T 3 S+ 0 0 64 1,-0.3 23,-2.5 -373,-0.1 24,-0.1 -0.434 84.8 6.1 -62.6 119.3 6.0 45.2 95.0 388 388 A G T > S+ 0 0 29 -2,-0.3 3,-1.5 1,-0.3 -1,-0.3 0.480 89.6 156.2 86.6 5.3 8.7 42.8 96.2 389 389 A F T < + 0 0 51 -3,-2.1 -1,-0.3 1,-0.2 55,-0.1 -0.459 62.3 29.3 -67.7 134.4 8.6 44.1 99.8 390 390 A G T 3 S+ 0 0 7 53,-0.4 -1,-0.2 -2,-0.2 54,-0.1 0.499 107.4 73.5 95.8 8.6 9.8 41.5 102.2 391 391 A E < + 0 0 143 -3,-1.5 14,-0.5 56,-0.1 2,-0.2 0.236 67.7 108.9-130.5 3.4 12.2 39.8 99.8 392 392 A D - 0 0 3 -4,-0.2 2,-0.3 51,-0.2 12,-0.2 -0.595 50.9-160.4 -80.5 147.7 15.0 42.5 99.7 393 393 A V E -T 403 0F 50 10,-2.6 10,-2.9 -2,-0.2 2,-0.4 -0.826 8.6-150.2-125.0 163.2 18.3 41.8 101.4 394 394 A Y E S+T 402 0F 100 -2,-0.3 8,-0.2 8,-0.2 5,-0.0 -0.998 74.2 24.7-132.0 141.2 21.2 43.8 102.7 395 395 A G S S+ 0 0 55 6,-0.7 -1,-0.1 -2,-0.4 7,-0.1 0.759 74.2 179.3 84.8 28.5 24.9 42.8 103.0 396 396 A D - 0 0 44 3,-0.6 -1,-0.2 5,-0.4 5,-0.1 -0.252 36.3-123.0 -64.1 148.9 24.9 40.2 100.3 397 397 A A S S+ 0 0 106 1,-0.1 -1,-0.1 3,-0.1 -2,-0.0 0.782 105.7 17.7 -62.2 -29.1 28.2 38.4 99.6 398 398 A V S S+ 0 0 69 1,-0.2 -1,-0.1 -111,-0.0 -2,-0.0 0.808 123.4 47.1-111.7 -45.8 28.2 39.5 95.9 399 399 A Y S S- 0 0 44 2,-0.1 -3,-0.6 4,-0.0 -1,-0.2 -0.888 74.5-150.6-112.1 111.8 25.7 42.4 95.3 400 400 A P + 0 0 29 0, 0.0 2,-0.2 0, 0.0 -231,-0.1 -0.373 52.3 37.8 -81.5 159.2 25.9 45.2 97.8 401 401 A G S S- 0 0 1 -159,-0.1 -6,-0.7 -2,-0.1 2,-0.7 -0.549 110.4 -37.5 102.0-170.5 23.2 47.6 98.9 402 402 A V E S-OT 243 394F 0 -159,-2.0 -159,-1.8 -2,-0.2 2,-0.4 -0.881 80.1-167.5 -88.2 120.3 19.6 46.8 99.6 403 403 A V E -OT 242 393F 0 -10,-2.9 -10,-2.6 -2,-0.7 2,-0.6 -0.930 30.7-161.8-128.8 135.3 18.9 44.3 96.9 404 404 A G E -O 241 0F 2 -163,-2.9 -163,-2.5 -2,-0.4 2,-2.2 -0.977 20.7-144.8-110.9 116.4 15.9 42.7 95.3 405 405 A K S S+ 0 0 132 -2,-0.6 2,-0.3 -14,-0.5 -168,-0.2 -0.442 71.1 85.2 -85.6 63.1 17.1 39.6 93.4 406 406 A S S S- 0 0 46 -2,-2.2 -154,-0.2 -169,-0.1 -2,-0.1 -0.957 76.8-129.6-160.8 144.4 14.5 40.1 90.7 407 407 A A S S+ 0 0 15 -2,-0.3 2,-0.5 -168,-0.2 -167,-0.2 0.856 96.2 45.3 -66.5 -34.7 14.3 42.1 87.4 408 408 A I S S+ 0 0 47 -169,-0.1 2,-0.3 -202,-0.1 -1,-0.2 -0.954 78.5 95.6-122.3 122.6 11.0 43.6 88.2 409 409 A G S S- 0 0 2 -2,-0.5 -203,-0.3 -205,-0.4 -202,-0.3 -0.963 70.2 -99.9-179.2-173.9 10.0 45.1 91.6 410 410 A E S > S+ 0 0 26 -23,-2.5 4,-1.9 -2,-0.3 3,-0.5 0.171 73.4 117.5-119.8 23.4 9.8 48.4 93.6 411 411 A T H > S+ 0 0 1 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.887 78.1 49.6 -54.0 -47.1 12.9 48.2 95.7 412 412 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.769 106.3 55.4 -69.3 -28.8 14.5 51.3 94.2 413 413 A Y H > S+ 0 0 14 -3,-0.5 4,-3.3 -209,-0.2 5,-0.3 0.945 107.1 52.3 -62.9 -47.7 11.3 53.3 94.7 414 414 A R H X S+ 0 0 1 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.879 112.4 42.8 -58.5 -43.6 11.4 52.4 98.4 415 415 A G H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.863 113.6 52.8 -71.8 -38.8 15.0 53.6 98.9 416 416 A F H X S+ 0 0 0 -4,-1.9 4,-1.9 1,-0.2 -2,-0.2 0.976 114.9 40.5 -59.2 -53.6 14.4 56.7 96.8 417 417 A Y H X S+ 0 0 0 -4,-3.3 4,-2.7 1,-0.2 -2,-0.2 0.808 109.3 59.7 -72.0 -26.5 11.4 57.7 98.9 418 418 A R H X S+ 0 0 9 -4,-2.0 4,-1.9 -5,-0.3 -1,-0.2 0.928 109.9 42.8 -62.4 -44.6 13.1 56.7 102.2 419 419 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.872 112.6 54.9 -69.5 -35.5 15.9 59.2 101.5 420 420 A Y H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.939 108.6 46.1 -63.0 -49.6 13.3 61.8 100.4 421 421 A Q H X S+ 0 0 29 -4,-2.7 4,-2.1 1,-0.2 5,-0.2 0.957 112.3 52.4 -55.9 -52.6 11.2 61.6 103.6 422 422 A A H < S+ 0 0 6 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.849 112.6 44.6 -50.9 -43.8 14.4 61.8 105.7 423 423 A H H >< S+ 0 0 0 -4,-2.0 3,-1.2 1,-0.2 -1,-0.2 0.915 112.2 50.4 -70.1 -42.6 15.6 64.9 103.9 424 424 A V H 3< S+ 0 0 2 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.780 113.7 44.8 -71.0 -26.4 12.3 66.7 103.9 425 425 A S T 3< S+ 0 0 31 -4,-2.1 2,-0.3 -5,-0.2 -1,-0.3 0.385 104.9 84.3 -95.2 6.0 11.8 66.2 107.7 426 426 A S < - 0 0 8 -3,-1.2 3,-0.1 -5,-0.2 -423,-0.0 -0.852 60.3-157.9-112.9 144.4 15.4 67.2 108.3 427 427 A S S S- 0 0 83 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.583 77.2 -5.2 -90.7 -17.3 16.9 70.7 108.8 428 428 A N S > S- 0 0 53 1,-0.1 4,-1.5 -5,-0.0 5,-0.1 -0.962 83.2 -81.2-161.7-179.1 20.5 69.7 107.9 429 429 A W H > S+ 0 0 8 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.871 120.0 57.2 -64.8 -38.0 22.8 66.8 107.1 430 430 A A H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.913 108.3 47.7 -61.0 -42.1 23.4 65.7 110.7 431 431 A E H > S+ 0 0 85 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.825 109.1 53.3 -67.3 -33.1 19.6 65.2 111.2 432 432 A F H X S+ 0 0 0 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.933 108.5 50.6 -66.7 -43.9 19.4 63.3 107.9 433 433 A E H >< S+ 0 0 58 -4,-2.5 3,-1.2 1,-0.2 -2,-0.2 0.937 111.6 47.4 -56.9 -47.3 22.2 61.0 109.2 434 434 A H H >< S+ 0 0 159 -4,-2.2 3,-0.9 1,-0.3 -1,-0.2 0.868 110.9 51.4 -62.1 -38.1 20.3 60.5 112.5 435 435 A A H 3< S+ 0 0 45 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.564 113.3 47.6 -76.0 -5.6 17.1 59.8 110.6 436 436 A S T X< S+ 0 0 1 -3,-1.2 3,-1.5 -4,-0.5 4,-0.2 0.213 71.7 111.8-121.1 15.6 19.0 57.2 108.5 437 437 A S T < S+ 0 0 93 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.641 92.6 30.3 -67.7 -17.9 20.9 55.2 111.1 438 438 A T T 3> S+ 0 0 81 -3,-0.1 4,-2.5 -4,-0.1 -1,-0.3 -0.069 81.1 133.4-126.2 36.7 18.8 52.1 110.5 439 439 A W H <> S+ 0 0 18 -3,-1.5 4,-2.0 1,-0.2 5,-0.2 0.913 73.0 44.3 -55.8 -51.2 18.0 52.7 106.8 440 440 A H H > S+ 0 0 54 1,-0.2 4,-1.6 -4,-0.2 -1,-0.2 0.899 112.7 52.4 -68.1 -34.1 18.8 49.2 105.5 441 441 A T H > S+ 0 0 72 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.903 108.3 52.6 -63.5 -38.6 16.9 47.5 108.4 442 442 A E H >< S+ 0 0 43 -4,-2.5 3,-0.5 1,-0.2 -2,-0.2 0.915 110.3 47.5 -63.4 -40.1 13.9 49.7 107.5 443 443 A L H 3< S+ 0 0 1 -4,-2.0 -53,-0.4 1,-0.2 -51,-0.2 0.754 118.5 38.1 -74.9 -24.5 14.0 48.6 103.9 444 444 A T H >< S+ 0 0 20 -4,-1.6 3,-3.8 1,-0.2 -1,-0.2 0.334 77.2 136.9-107.0 7.2 14.3 44.8 104.5 445 445 A K T << S+ 0 0 103 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.1 0.655 72.9 37.8 -20.2 -66.7 12.0 44.8 107.5 446 446 A T T 3 0 0 106 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.327 360.0 360.0 -83.8 8.8 10.0 41.6 106.7 447 447 A T < 0 0 85 -3,-3.8 -56,-0.1 -55,-0.1 -57,-0.1 -0.921 360.0 360.0-104.3 360.0 13.0 39.7 105.3 448 !* 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 0.0 449 502 B M 0 0 168 0, 0.0 2,-0.4 0, 0.0 14,-0.0 0.000 360.0 360.0 360.0 -38.5 23.6 89.7 46.6 450 503 B I - 0 0 54 13,-0.2 2,-0.6 4,-0.0 17,-0.0 -0.730 360.0-160.5 -80.4 133.4 24.6 89.5 50.3 451 504 B N >> - 0 0 69 -2,-0.4 4,-3.2 1,-0.1 3,-0.9 -0.954 6.6-165.1-107.2 108.7 28.1 90.6 51.6 452 505 B I T 34 S+ 0 0 70 -2,-0.6 6,-0.2 1,-0.3 -1,-0.1 0.580 84.7 66.0 -75.8 -8.8 28.4 88.9 55.0 453 506 B Q T 34 S+ 0 0 173 1,-0.1 -1,-0.3 -3,-0.0 3,-0.2 0.806 116.5 29.8 -76.0 -30.2 31.3 91.0 56.0 454 507 B E T <4 S+ 0 0 146 -3,-0.9 2,-2.0 1,-0.2 -2,-0.2 0.867 115.5 57.8 -92.0 -48.4 28.8 93.9 55.9 455 508 B D S >< S- 0 0 93 -4,-3.2 3,-1.9 1,-0.2 -1,-0.2 -0.586 76.3-178.5 -83.9 79.9 25.6 92.1 56.8 456 509 B K T 3 + 0 0 180 -2,-2.0 -1,-0.2 1,-0.3 -4,-0.1 0.590 69.1 56.4 -63.4 -18.6 27.2 90.9 60.1 457 510 B L T 3 S+ 0 0 181 -3,-0.1 2,-0.4 2,-0.1 -1,-0.3 0.513 86.4 102.6 -90.6 -3.6 24.2 88.9 61.4 458 511 B V < - 0 0 42 -3,-1.9 2,-0.1 -6,-0.2 -3,-0.0 -0.678 65.0-139.0 -92.5 126.9 24.1 86.7 58.3 459 512 B S > - 0 0 53 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.443 20.9-120.8 -77.5 151.7 25.5 83.1 58.3 460 513 B A H > S+ 0 0 52 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.917 114.5 54.5 -58.8 -41.9 27.4 81.9 55.2 461 514 B H H > S+ 0 0 71 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.953 107.3 48.4 -56.4 -50.3 24.8 79.2 54.8 462 515 B D H > S+ 0 0 81 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.904 110.8 51.0 -60.4 -41.6 21.9 81.6 54.7 463 516 B A H X S+ 0 0 19 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.907 108.7 52.6 -62.4 -40.4 23.6 83.8 52.2 464 517 B E H X S+ 0 0 119 -4,-2.5 4,-1.3 -5,-0.2 3,-0.4 0.959 109.6 49.0 -57.7 -50.4 24.3 80.7 50.0 465 518 B E H X S+ 0 0 21 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.843 108.4 51.2 -61.5 -38.1 20.6 79.7 50.1 466 519 B I H X S+ 0 0 69 -4,-2.0 4,-1.4 1,-0.2 3,-0.5 0.810 104.0 58.5 -74.8 -26.5 19.2 83.1 49.2 467 520 B L H < S+ 0 0 96 -4,-1.4 4,-0.3 -3,-0.4 3,-0.2 0.899 100.0 59.2 -64.4 -38.8 21.5 83.4 46.1 468 521 B R H < S+ 0 0 77 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.762 111.6 38.8 -64.9 -22.5 19.9 80.2 44.8 469 522 B F H >< S+ 0 0 18 -4,-0.6 3,-0.8 -3,-0.5 -1,-0.2 0.667 98.5 70.5-104.6 -17.6 16.4 81.7 44.7 470 523 B F T 3< S+ 0 0 125 -4,-1.4 -1,-0.1 1,-0.2 -2,-0.1 0.466 107.8 41.6 -76.9 2.0 16.9 85.3 43.5 471 524 B N T 3 S+ 0 0 96 -4,-0.3 2,-0.7 -3,-0.2 -1,-0.2 0.227 85.9 88.4-136.8 10.2 17.8 83.9 40.1 472 525 B C < + 0 0 34 -3,-0.8 2,-1.6 100,-0.1 100,-0.2 -0.747 52.3 174.2-107.3 76.9 15.3 81.2 39.5 473 526 B H + 0 0 168 -2,-0.7 2,-0.2 -3,-0.1 -3,-0.1 -0.713 29.2 132.8 -82.3 86.6 12.8 83.6 38.0 474 527 B D > - 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