==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 28-JUL-10 3O5A . COMPND 2 MOLECULE: PERIPLASMIC NITRATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA EUTROPHA; . AUTHOR C.COELHO,J.TRINCAO,M.J.ROMAO . 900 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30602.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 568 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 62 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 8.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 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 . 55 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 110 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 196 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.4 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 7 2 6 2 1 3 1 1 2 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 5 4 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 . 11 4 0 3 1 3 0 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 3 0 1 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 11 A K 0 0 133 0, 0.0 2,-0.2 0, 0.0 21,-0.0 0.000 360.0 360.0 360.0 -46.4 47.4 -20.6 48.1 2 12 A L - 0 0 47 21,-0.1 2,-0.6 19,-0.1 21,-0.2 -0.517 360.0-139.1 -74.2 148.5 44.5 -19.5 45.7 3 13 A K E -A 22 0A 74 19,-2.3 19,-2.2 -2,-0.2 2,-0.4 -0.959 21.2-159.9-105.9 117.5 44.2 -15.9 44.6 4 14 A W E +A 21 0A 111 -2,-0.6 2,-0.3 17,-0.2 17,-0.2 -0.841 15.2 172.8 -99.4 133.7 40.5 -15.0 44.7 5 15 A S E -A 20 0A 9 15,-2.0 15,-2.4 -2,-0.4 2,-0.1 -0.964 29.3-110.2-140.3 150.5 39.3 -11.9 42.7 6 16 A K E +A 19 0A 39 -2,-0.3 504,-0.5 13,-0.2 13,-0.2 -0.483 40.2 153.6 -86.0 152.5 35.9 -10.5 41.9 7 17 A A E -A 18 0A 3 11,-2.2 11,-3.1 -2,-0.1 2,-0.2 -0.940 42.9-103.9-161.0 155.6 34.2 -10.4 38.4 8 18 A P E -A 17 0A 2 0, 0.0 9,-0.2 0, 0.0 8,-0.1 -0.550 53.9 -87.8 -74.6 154.7 30.7 -10.3 37.0 9 19 A C - 0 0 12 7,-2.7 38,-0.1 -2,-0.2 6,-0.0 -0.245 30.6-132.2 -54.5 140.0 29.3 -13.6 35.7 10 20 A R S S+ 0 0 13 37,-0.1 -1,-0.1 -3,-0.1 482,-0.1 0.637 86.7 53.8 -67.2 -11.0 30.2 -14.1 32.0 11 21 A F S S+ 0 0 1 1,-0.1 678,-0.0 363,-0.1 0, 0.0 0.621 90.9 22.1-107.5-116.0 26.6 -15.0 31.1 12 22 A C > - 0 0 17 1,-0.1 3,-1.5 362,-0.1 362,-0.2 0.090 68.5-108.6 -75.8 165.3 23.2 -13.4 31.6 13 23 A G T 3 S+ 0 0 0 360,-2.1 489,-2.2 359,-0.3 490,-0.2 0.550 102.1 88.4 -64.0 -6.9 22.2 -9.7 32.1 14 24 A T T 3 S- 0 0 2 359,-0.2 -1,-0.3 168,-0.2 489,-0.2 0.945 84.5-150.4 -49.6 -50.0 21.3 -10.5 35.7 15 25 A G < - 0 0 5 -3,-1.5 23,-0.2 1,-0.1 24,-0.2 0.856 15.4-168.5 83.1 32.7 25.0 -9.7 36.4 16 26 A C - 0 0 11 -4,-0.2 -7,-2.7 22,-0.1 2,-0.4 -0.239 22.4-121.7 -44.4 138.6 25.6 -11.9 39.4 17 27 A G E -A 8 0A 2 -9,-0.2 16,-2.9 16,-0.2 2,-0.3 -0.717 34.4-174.9 -80.6 137.8 28.9 -11.1 41.1 18 28 A V E -AB 7 32A 0 -11,-3.1 -11,-2.2 -2,-0.4 2,-0.4 -0.883 20.7-137.6-120.5 162.9 31.3 -14.1 41.3 19 29 A T E -AB 6 31A 16 12,-2.4 12,-2.2 -2,-0.3 2,-0.5 -0.936 20.9-150.4-118.1 146.4 34.7 -14.6 43.0 20 30 A V E -AB 5 30A 0 -15,-2.4 -15,-2.0 -2,-0.4 2,-0.5 -0.977 1.2-148.7-126.1 126.2 37.3 -16.4 40.9 21 31 A A E -AB 4 29A 0 8,-2.9 7,-2.7 -2,-0.5 8,-1.1 -0.845 18.1-171.8-102.5 126.6 40.1 -18.6 42.4 22 32 A V E +AB 3 27A 20 -19,-2.2 -19,-2.3 -2,-0.5 2,-0.3 -0.942 13.6 166.5-118.9 138.2 43.4 -18.8 40.4 23 33 A K E > S- B 0 26A 57 3,-2.3 3,-1.4 -2,-0.4 -21,-0.1 -0.965 73.1 -7.3-143.9 135.1 46.4 -20.9 40.9 24 34 A D T 3 S- 0 0 133 -2,-0.3 3,-0.1 1,-0.3 489,-0.1 0.881 128.6 -53.6 53.5 43.1 49.2 -21.4 38.3 25 35 A N T 3 S+ 0 0 74 1,-0.2 2,-0.4 487,-0.2 -1,-0.3 0.651 116.5 108.0 70.8 18.7 47.4 -19.5 35.6 26 36 A K E < S-B 23 0A 65 -3,-1.4 -3,-2.3 487,-0.1 2,-0.7 -0.982 71.5-125.8-129.6 137.9 44.2 -21.6 35.8 27 37 A V E +B 22 0A 0 -2,-0.4 870,-0.5 -5,-0.2 -5,-0.2 -0.780 31.6 176.4 -75.2 117.5 40.8 -20.8 37.2 28 38 A V E - 0 0 2 -7,-2.7 871,-1.0 -2,-0.7 2,-0.3 0.640 58.8 -7.0-100.4 -17.8 40.3 -23.6 39.7 29 39 A A E -B 21 0A 13 -8,-1.1 -8,-2.9 869,-0.2 2,-0.3 -0.955 52.5-159.5-164.2 156.7 36.9 -22.5 41.2 30 40 A T E -B 20 0A 10 -2,-0.3 2,-0.3 18,-0.3 -10,-0.2 -0.939 11.5-171.2-132.0 167.0 34.4 -19.8 41.2 31 41 A Q E -B 19 0A 83 -12,-2.2 -12,-2.4 -2,-0.3 2,-0.3 -0.973 37.5 -91.7-146.9 157.7 31.7 -19.0 43.7 32 42 A G E -B 18 0A 4 9,-0.5 -14,-0.3 -2,-0.3 11,-0.1 -0.583 52.7-112.4 -63.4 135.3 28.7 -16.6 43.9 33 43 A D > - 0 0 2 -16,-2.9 8,-2.0 -2,-0.3 3,-1.5 -0.583 22.5-155.7 -76.7 112.8 30.1 -13.4 45.6 34 44 A P T 3 S+ 0 0 64 0, 0.0 -1,-0.2 0, 0.0 8,-0.1 0.759 91.5 50.7 -64.3 -18.4 28.5 -13.2 49.0 35 45 A Q T 3 S+ 0 0 132 5,-0.1 2,-0.4 6,-0.1 583,-0.1 0.416 82.6 108.2 -95.0 -1.7 29.0 -9.4 49.1 36 46 A A <> - 0 0 1 -3,-1.5 4,-2.5 1,-0.2 5,-0.2 -0.636 62.9-147.9 -80.5 134.6 27.5 -8.7 45.7 37 47 A E T 4 S+ 0 0 68 -2,-0.4 -1,-0.2 581,-0.4 -21,-0.1 0.798 90.2 61.1 -70.8 -30.6 24.1 -7.0 46.1 38 48 A V T 4 S+ 0 0 1 -23,-0.2 -1,-0.2 1,-0.1 -22,-0.1 0.970 127.9 4.3 -65.0 -43.9 22.5 -8.6 43.0 39 49 A N T >4 S- 0 0 2 -6,-0.2 3,-2.2 -24,-0.2 -2,-0.2 0.597 78.5-145.4-122.8 -12.8 22.9 -12.3 44.0 40 50 A K T 3< S- 0 0 53 -4,-2.5 -3,-0.1 1,-0.3 -5,-0.1 0.900 82.7 -36.7 46.2 51.5 24.2 -12.3 47.6 41 51 A G T 3 S+ 0 0 22 -8,-2.0 -9,-0.5 1,-0.2 -1,-0.3 0.257 111.5 115.6 90.9 -10.0 26.2 -15.4 47.0 42 52 A L < + 0 0 10 -3,-2.2 2,-0.3 -9,-0.2 -1,-0.2 -0.551 32.3 172.5 -97.2 154.2 23.9 -17.4 44.7 43 53 A N - 0 0 4 -2,-0.2 2,-0.2 -11,-0.1 -11,-0.1 -0.859 28.6-118.1-132.2 176.5 24.5 -18.5 41.1 44 54 A C > - 0 0 13 -2,-0.3 4,-2.6 837,-0.1 3,-0.3 -0.647 47.9 -84.3-103.4-178.6 22.6 -20.7 38.7 45 55 A V H > S+ 0 0 0 835,-2.6 4,-0.8 1,-0.3 836,-0.1 0.820 129.8 54.4 -58.6 -32.9 24.1 -23.9 37.2 46 56 A K H >4 S+ 0 0 9 640,-0.2 3,-1.0 1,-0.2 -1,-0.3 0.932 109.3 47.0 -64.5 -49.2 25.8 -21.8 34.4 47 57 A G H >4 S+ 0 0 2 -3,-0.3 3,-1.7 1,-0.2 4,-0.2 0.892 106.1 58.8 -53.8 -41.6 27.5 -19.6 36.9 48 58 A Y H 3< S+ 0 0 29 -4,-2.6 -18,-0.3 1,-0.3 3,-0.3 0.714 106.5 48.8 -68.9 -14.3 28.6 -22.6 38.9 49 59 A F T XX S+ 0 0 2 -3,-1.0 3,-2.3 -4,-0.8 4,-0.6 0.186 72.8 112.3-107.2 17.0 30.5 -24.0 35.9 50 60 A L G X4 + 0 0 0 -3,-1.7 3,-0.9 1,-0.3 4,-0.4 0.820 68.9 68.0 -54.4 -33.6 32.4 -20.7 35.0 51 61 A S G 34 S+ 0 0 3 -3,-0.3 846,-0.3 -4,-0.2 -1,-0.3 0.619 103.7 44.1 -63.5 -10.3 35.6 -22.5 36.0 52 62 A K G X4 S+ 0 0 1 -3,-2.3 3,-1.4 844,-0.1 -1,-0.2 0.551 89.0 85.5-107.3 -12.0 35.2 -24.8 32.9 53 63 A I T << S+ 0 0 0 -3,-0.9 3,-0.3 -4,-0.6 -2,-0.1 0.704 89.8 46.6 -71.5 -16.7 34.2 -22.4 30.1 54 64 A M T 3 S+ 0 0 1 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.415 102.5 69.5 -95.6 -3.6 37.7 -21.2 29.0 55 65 A Y < + 0 0 27 -3,-1.4 840,-3.2 3,-0.0 -1,-0.2 0.096 53.2 139.6-115.9 20.7 39.1 -24.8 28.9 56 66 A G B > -C 894 0B 2 -3,-0.3 3,-1.8 838,-0.2 838,-0.3 -0.408 61.8-120.1 -57.1 145.7 37.5 -26.6 26.0 57 67 A Q T 3 S+ 0 0 124 836,-2.6 -1,-0.1 1,-0.3 837,-0.1 0.794 108.8 57.0 -67.6 -23.9 40.2 -28.7 24.3 58 68 A D T 3 S+ 0 0 38 835,-0.3 -1,-0.3 418,-0.1 3,-0.1 0.139 70.9 152.4 -98.3 25.0 39.8 -26.8 21.0 59 69 A R < - 0 0 21 -3,-1.8 2,-0.3 416,-0.1 416,-0.2 -0.179 54.5-107.7 -46.7 136.4 40.4 -23.3 22.2 60 70 A L + 0 0 11 414,-2.5 -1,-0.1 429,-0.1 459,-0.1 -0.590 47.4 164.1 -73.1 132.5 41.8 -21.2 19.4 61 71 A T + 0 0 55 -2,-0.3 457,-2.8 1,-0.3 -1,-0.1 0.529 57.9 37.4-128.5 -11.6 45.5 -20.4 19.9 62 72 A R S S- 0 0 130 455,-0.1 -1,-0.3 456,-0.1 20,-0.1 -0.998 87.2 -96.2-139.9 146.3 46.7 -19.2 16.4 63 73 A P - 0 0 0 0, 0.0 18,-2.4 0, 0.0 2,-0.4 -0.328 38.7-156.7 -54.5 138.8 45.3 -17.1 13.5 64 74 A L E -DE 80 486C 22 422,-2.3 422,-3.0 16,-0.2 2,-0.4 -0.993 13.0-178.7-120.6 127.8 43.9 -19.4 10.9 65 75 A M E -DE 79 485C 6 14,-2.8 14,-2.0 -2,-0.4 2,-0.4 -0.974 34.4-110.5-130.5 137.6 43.6 -18.1 7.3 66 76 A R E +D 78 0C 31 418,-2.5 7,-1.8 -2,-0.4 2,-0.3 -0.577 49.3 176.4 -67.0 125.3 42.2 -19.8 4.2 67 77 A M E +D 72 0C 43 10,-2.3 10,-0.8 -2,-0.4 2,-0.4 -0.967 20.8 178.0-137.4 142.4 45.2 -20.5 2.0 68 78 A K E > S-D 71 0C 104 3,-2.5 3,-1.3 -2,-0.3 8,-0.1 -0.967 76.3 -6.0-143.7 131.1 45.8 -22.2 -1.3 69 79 A N T 3 S- 0 0 149 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.843 131.4 -50.4 55.9 36.2 49.1 -22.5 -3.1 70 80 A G T 3 S+ 0 0 70 1,-0.2 2,-0.3 3,-0.0 -1,-0.2 0.544 120.6 75.8 85.0 10.5 50.9 -20.2 -0.5 71 81 A K E < S-D 68 0C 134 -3,-1.3 -3,-2.5 2,-0.0 -1,-0.2 -0.973 91.0 -72.9-148.8 164.5 48.5 -17.2 -0.5 72 82 A Y E +D 67 0C 36 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.293 53.5 171.9 -53.0 129.0 45.0 -16.1 0.8 73 83 A D E > - 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0 0 18 -4,-1.0 3,-1.8 -5,-1.0 -1,-0.1 -0.154 49.7 -45.5 81.8 178.4 34.4 3.5 0.2 103 113 A P G > S+ 0 0 41 0, 0.0 3,-1.2 0, 0.0 31,-0.3 0.607 122.5 72.2 -70.5 -14.9 33.3 3.0 3.9 104 114 A T G 3 S+ 0 0 83 -3,-0.4 -2,-0.1 1,-0.2 319,-0.1 0.574 96.2 56.3 -71.4 -7.9 29.8 1.8 3.2 105 115 A A G < S+ 0 0 0 -3,-1.8 333,-2.2 332,-0.1 334,-1.5 0.298 96.6 71.9-104.9 5.1 31.5 -1.4 2.1 106 116 A V E < +f 439 0C 0 -3,-1.2 2,-0.3 332,-0.2 28,-0.2 -0.888 64.1 163.7-110.1 157.0 33.4 -2.2 5.3 107 117 A G E -f 440 0C 0 332,-2.3 334,-2.0 -2,-0.3 2,-0.4 -0.996 28.3-145.1-162.9 172.0 31.7 -3.3 8.5 108 118 A M E -fg 441 135C 0 26,-2.9 28,-1.9 -2,-0.3 2,-0.6 -0.999 4.9-157.9-146.5 139.8 31.8 -4.9 11.9 109 119 A F E +fg 442 136C 0 332,-2.2 334,-2.5 -2,-0.4 338,-0.1 -0.955 31.7 172.2-119.1 110.9 29.4 -7.1 13.8 110 120 A G E - g 0 137C 0 26,-2.5 28,-2.0 -2,-0.6 2,-0.4 0.019 16.8-114.9-108.8-151.3 30.1 -6.7 17.5 111 121 A S > - 0 0 0 26,-0.3 3,-1.2 27,-0.1 334,-0.1 -0.990 23.0-133.0-158.6 145.7 28.6 -7.7 20.8 112 122 A G T 3 S+ 0 0 0 -2,-0.4 264,-1.6 1,-0.2 268,-0.2 0.316 111.5 65.0 -81.6 10.6 27.0 -7.0 24.1 113 123 A Q T 3 S+ 0 0 13 331,-0.3 -1,-0.2 262,-0.2 2,-0.2 0.364 78.6 107.2-113.6 7.2 29.6 -9.5 25.4 114 124 A W S < S- 0 0 0 -3,-1.2 267,-0.1 329,-0.1 266,-0.1 -0.520 82.2-109.9 -65.1 145.4 32.3 -7.0 24.5 115 125 A T > - 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0 0 2 4,-2.3 3,-1.2 -2,-0.5 -487,-0.2 0.093 35.5 -80.2 -89.4-171.7 23.9 -5.3 33.7 502 512 A A T 3 S+ 0 0 0 -489,-2.2 -488,-0.1 1,-0.3 -132,-0.1 0.674 124.4 52.5 -68.4 -19.2 20.1 -4.8 33.5 503 513 A E T 3 S- 0 0 0 -490,-0.2 -1,-0.3 -489,-0.2 3,-0.1 -0.035 122.5 -97.7-105.2 32.4 19.9 -2.5 36.5 504 514 A R S < S+ 0 0 0 -3,-1.2 118,-1.8 1,-0.2 2,-0.7 0.673 74.9 148.9 66.1 21.0 22.6 -0.0 35.2 505 515 A R E - U 0 621J 9 116,-0.2 -4,-2.3 114,-0.1 2,-0.5 -0.755 33.9-157.5 -95.4 113.7 25.3 -1.7 37.4 506 516 A T E -TU 500 620J 1 114,-2.2 114,-1.1 -2,-0.7 2,-0.4 -0.780 13.4-168.6 -91.3 128.6 28.7 -1.4 35.7 507 517 A Q E -T 499 0J 9 -8,-3.0 -8,-2.8 -2,-0.5 2,-0.2 -0.989 3.2-157.9-128.5 127.1 31.0 -4.1 37.1 508 518 A F E -T 498 0J 3 106,-0.6 2,-0.3 -2,-0.4 -10,-0.2 -0.469 7.5-173.6 -92.6 160.5 34.8 -4.4 36.5 509 519 A W E -T 497 0J 0 -12,-2.1 -12,-2.2 -2,-0.2 2,-0.2 -0.964 19.5-128.3-146.1 148.1 37.2 -7.2 36.7 510 520 A H - 0 0 20 -504,-0.5 2,-0.5 -2,-0.3 -15,-0.2 -0.521 40.1 -91.6 -79.4 161.1 41.0 -7.5 36.4 511 521 A Q + 0 0 6 67,-0.5 67,-0.5 -2,-0.2 -17,-0.2 -0.680 48.2 176.2 -66.9 121.9 42.8 -9.8 34.1 512 522 A L + 0 0 22 -19,-2.5 2,-0.3 -2,-0.5 -18,-0.2 0.595 59.0 16.9-109.5 -22.4 43.3 -12.8 36.4 513 523 A V S S- 0 0 4 -20,-1.6 2,-0.4 -488,-0.1 -1,-0.1 -0.920 77.8-106.6-142.1 173.3 45.0 -15.3 34.0 514 524 A D - 0 0 60 -2,-0.3 -19,-0.1 -489,-0.2 -20,-0.1 -0.863 37.6-113.9-109.4 138.6 46.8 -15.3 30.7 515 525 A A - 0 0 23 -2,-0.4 2,-0.1 -21,-0.4 -25,-0.1 -0.217 38.1 -98.1 -68.6 158.0 45.1 -16.6 27.5 516 526 A P S > S- 0 0 43 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.398 78.0 -19.6 -80.6 152.4 46.5 -19.8 25.9 517 527 A G T 3 S- 0 0 66 1,-0.3 -455,-0.1 -2,-0.1 -456,-0.1 -0.254 124.2 -29.2 62.0-135.6 48.8 -19.8 22.9 518 528 A E T 3 S+ 0 0 76 -457,-2.8 -1,-0.3 2,-0.1 2,-0.1 0.048 92.2 142.9-108.6 24.5 48.8 -16.6 20.9 519 529 A A < - 0 0 11 -3,-2.2 2,-0.3 -30,-0.1 -30,-0.3 -0.419 28.0-174.7 -62.4 136.7 45.2 -15.7 21.8 520 530 A R E -s 489 0I 96 -32,-2.1 -30,-0.7 -2,-0.1 5,-0.1 -0.969 27.6 -92.3-137.0 149.4 44.8 -11.9 22.3 521 531 A S E > -s 490 0I 5 -2,-0.3 4,-2.4 -32,-0.3 5,-0.1 -0.139 28.1-119.8 -60.3 154.8 41.9 -9.8 23.5 522 532 A D H > S+ 0 0 5 -32,-0.5 4,-2.3 2,-0.2 5,-0.2 0.896 117.0 58.4 -57.0 -33.7 39.5 -8.2 21.1 523 533 A L H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.949 105.5 47.3 -63.2 -48.7 40.6 -4.9 22.5 524 534 A W H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.914 110.8 53.0 -55.4 -43.3 44.3 -5.6 21.5 525 535 A Q H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.907 110.3 46.3 -65.3 -40.0 43.1 -6.7 18.0 526 536 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -1,-0.2 0.930 117.5 41.2 -67.0 -45.3 41.1 -3.4 17.4 527 537 A V H X S+ 0 0 0 -4,-2.4 4,-0.6 1,-0.2 -2,-0.2 0.913 114.9 51.7 -77.4 -40.1 43.8 -1.1 18.6 528 538 A E H >< S+ 0 0 32 -4,-3.0 3,-1.4 -5,-0.3 4,-0.3 0.931 109.7 50.1 -57.5 -42.9 46.7 -3.0 16.9 529 539 A F H >< S+ 0 0 0 -4,-2.2 3,-2.1 -5,-0.3 -1,-0.2 0.867 97.1 68.1 -65.6 -32.2 44.8 -3.0 13.5 530 540 A A H >< S+ 0 0 0 -4,-1.6 3,-1.3 1,-0.3 26,-1.2 0.724 87.9 68.8 -64.4 -20.8 44.3 0.8 13.8 531 541 A K T << S+ 0 0 74 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.757 88.1 67.7 -65.4 -23.4 48.1 1.2 13.3 532 542 A R T < S+ 0 0 40 -3,-2.1 2,-0.4 -4,-0.3 -1,-0.2 0.395 90.8 70.5 -77.1 0.9 47.7 -0.1 9.7 533 543 A F < - 0 0 0 -3,-1.3 22,-2.5 -4,-0.1 23,-0.3 -0.977 62.4-156.1-129.4 122.5 45.8 3.0 8.4 534 544 A K B >> -V 554 0K 100 -2,-0.4 3,-1.9 20,-0.3 4,-0.8 -0.739 31.8-117.1 -86.2 151.4 47.0 6.5 7.8 535 545 A V H >> S+ 0 0 0 18,-2.8 4,-2.8 -2,-0.3 3,-1.0 0.845 115.6 62.5 -54.3 -37.3 44.5 9.4 7.9 536 546 A E H 34 S+ 0 0 86 1,-0.2 -1,-0.3 17,-0.2 18,-0.1 0.751 104.3 48.6 -58.4 -25.9 45.3 10.1 4.2 537 547 A E H <4 S+ 0 0 89 -3,-1.9 -1,-0.2 1,-0.1 -2,-0.2 0.674 125.0 25.9 -82.9 -19.2 44.0 6.6 3.4 538 548 A V H << S+ 0 0 16 -3,-1.0 -2,-0.2 -4,-0.8 -3,-0.1 0.583 110.1 63.7-125.6 -10.7 40.8 6.9 5.3 539 549 A W S < S- 0 0 7 -4,-2.8 -1,-0.1 -5,-0.2 -123,-0.0 -0.934 81.5-111.9-120.2 139.0 39.7 10.6 5.6 540 550 A P >> - 0 0 32 0, 0.0 3,-1.6 0, 0.0 4,-1.2 -0.303 35.5-112.0 -60.9 144.4 38.8 13.0 2.8 541 551 A P H 3> S+ 0 0 102 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.785 113.3 64.9 -50.1 -33.8 41.5 15.7 2.3 542 552 A E H 3> S+ 0 0 111 1,-0.2 4,-0.9 2,-0.2 -3,-0.0 0.814 101.2 50.8 -68.5 -24.4 39.1 18.5 3.4 543 553 A L H <> S+ 0 0 3 -3,-1.6 4,-0.9 2,-0.2 3,-0.5 0.931 109.7 48.0 -76.7 -40.4 39.0 16.9 6.9 544 554 A I H >< S+ 0 0 19 -4,-1.2 3,-1.0 1,-0.2 6,-0.3 0.906 106.5 59.4 -62.8 -38.0 42.8 16.7 7.2 545 555 A A H 3< S+ 0 0 75 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.833 104.5 50.4 -60.8 -28.8 43.0 20.3 6.1 546 556 A K H 3< S+ 0 0 104 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.694 124.3 28.3 -81.9 -20.6 40.8 21.3 9.1 547 557 A K S X< S+ 0 0 55 -3,-1.0 3,-2.3 -4,-0.9 -1,-0.3 -0.560 72.4 168.6-133.4 70.0 43.1 19.4 11.6 548 558 A P G > + 0 0 82 0, 0.0 3,-2.0 0, 0.0 -3,-0.1 0.679 65.0 79.3 -68.6 -12.8 46.5 19.6 9.8 549 559 A E G 3 S+ 0 0 111 1,-0.3 -4,-0.1 -3,-0.1 -5,-0.1 0.668 87.8 62.4 -62.2 -16.2 48.3 18.3 12.9 550 560 A Y G X + 0 0 24 -3,-2.3 3,-2.4 -6,-0.3 -15,-0.3 0.473 70.0 134.1 -92.3 2.7 47.1 14.9 11.8 551 561 A K T < S- 0 0 159 -3,-2.0 3,-0.1 1,-0.3 -6,-0.0 -0.260 82.9 -0.3 -56.2 134.7 48.9 14.8 8.6 552 562 A G T 3 S+ 0 0 34 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 0.465 100.1 133.1 67.1 5.6 50.6 11.4 8.1 553 563 A K < - 0 0 97 -3,-2.4 -18,-2.8 1,-0.1 -17,-0.2 -0.510 52.6-123.4 -84.1 157.5 49.3 10.1 11.5 554 564 A T B > -V 534 0K 22 -20,-0.3 4,-2.5 -2,-0.1 -20,-0.3 -0.465 23.1-110.2 -94.1 168.2 47.8 6.7 11.9 555 565 A L H >>S+ 0 0 0 -22,-2.5 4,-3.0 -25,-0.8 5,-0.5 0.844 120.8 61.5 -64.6 -32.9 44.3 5.9 13.2 556 566 A Y H >>S+ 0 0 22 -26,-1.2 4,-2.1 -23,-0.3 5,-1.6 0.948 108.9 42.7 -53.2 -47.6 46.1 4.4 16.2 557 567 A D H 45S+ 0 0 56 3,-0.2 4,-0.4 -27,-0.2 -2,-0.2 0.938 118.6 43.6 -65.2 -46.9 47.6 7.9 16.9 558 568 A V H <5S+ 0 0 2 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.907 126.1 28.9 -67.0 -41.6 44.3 9.8 16.2 559 569 A L H <5S+ 0 0 0 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.796 136.7 17.4 -91.6 -29.9 42.0 7.4 18.1 560 570 A Y T < S+ 0 0 60 -154,-0.1 3,-1.5 2,-0.0 4,-0.2 0.669 104.4 41.6-117.6 -60.9 43.3 11.4 26.4 565 575 A V T 3 S+ 0 0 0 1,-0.2 27,-0.3 2,-0.1 28,-0.3 0.773 126.9 38.8 -64.2 -24.2 43.0 7.7 25.8 566 576 A D T 3 S+ 0 0 31 26,-0.2 -1,-0.2 1,-0.2 22,-0.1 0.117 84.0 104.7-110.6 22.8 46.8 7.4 26.6 567 577 A K < + 0 0 128 -3,-1.5 -1,-0.2 21,-0.1 -2,-0.1 0.604 64.1 75.1 -84.5 -9.4 47.0 9.9 29.4 568 578 A F S S- 0 0 33 -3,-0.2 20,-3.1 20,-0.2 24,-0.2 -0.891 78.4-143.2-102.9 118.2 47.3 7.3 32.2 569 579 A P > - 0 0 51 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.173 27.6 -95.2 -80.7 171.2 50.7 5.7 32.3 570 580 A L G > S+ 0 0 84 16,-0.5 3,-1.8 1,-0.3 17,-0.1 0.817 118.8 68.8 -48.1 -29.5 52.0 2.2 33.0 571 581 A K G 3 S+ 0 0 178 1,-0.3 -1,-0.3 3,-0.0 4,-0.2 0.750 89.8 62.6 -70.8 -16.5 52.5 3.2 36.7 572 582 A D G < S+ 0 0 56 -3,-2.2 2,-0.3 2,-0.1 -1,-0.3 0.573 80.4 102.9 -74.8 -14.1 48.7 3.5 37.2 573 583 A V S < S- 0 0 29 -3,-1.8 2,-0.5 -4,-0.3 6,-0.1 -0.613 86.4-113.8 -72.9 131.0 48.3 -0.3 36.4 574 584 A N > - 0 0 64 -2,-0.3 3,-1.7 1,-0.2 -1,-0.1 -0.519 24.1-148.0 -67.8 115.7 47.7 -2.3 39.6 575 585 A A T 3 S+ 0 0 101 -2,-0.5 -1,-0.2 1,-0.3 4,-0.0 0.683 87.9 74.1 -68.0 -10.2 50.9 -4.3 39.7 576 586 A E T 3 S+ 0 0 134 2,-0.0 2,-0.3 1,-0.0 -1,-0.3 0.581 98.9 48.1 -76.8 -8.2 49.2 -7.3 41.4 577 587 A Y S < S- 0 0 46 -3,-1.7 -65,-0.1 2,-0.0 2,-0.0 -0.966 85.3-115.8-130.1 143.5 47.4 -8.2 38.1 578 588 A H - 0 0 111 -67,-0.5 -67,-0.5 -2,-0.3 2,-0.2 -0.340 21.2-169.6 -59.0 162.3 48.7 -8.7 34.5 579 589 A N > - 0 0 12 -69,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.660 1.9-174.8-154.8 95.0 47.4 -6.3 31.9 580 590 A A H > S+ 0 0 55 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.856 83.3 48.1 -66.7 -37.7 48.5 -7.6 28.5 581 591 A E H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.884 109.1 52.4 -74.8 -38.7 47.2 -4.7 26.5 582 592 A A H >>S+ 0 0 1 1,-0.2 4,-2.3 2,-0.2 5,-0.8 0.930 113.2 45.7 -55.5 -43.8 48.8 -2.1 28.7 583 593 A K H <5S+ 0 0 179 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.869 112.3 52.8 -68.4 -36.3 52.1 -3.9 28.3 584 594 A A H <5S+ 0 0 51 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.852 121.7 26.4 -67.8 -40.1 51.5 -4.2 24.5 585 595 A F H <5S- 0 0 9 -4,-2.2 -2,-0.2 2,-0.3 -1,-0.2 0.587 105.8-116.3-103.6 -18.9 50.9 -0.5 23.8 586 596 A G T <5S+ 0 0 35 -4,-2.3 -16,-0.5 -5,-0.3 2,-0.3 0.709 81.5 59.7 97.6 19.1 52.8 1.1 26.7 587 597 A F S + 0 0 4 -20,-3.1 4,-2.2 -2,-0.3 -20,-0.2 -0.549 52.5 175.8 -82.1 84.7 46.9 2.0 30.8 589 599 A L H > S+ 0 0 0 -2,-1.7 4,-2.6 1,-0.2 5,-0.2 0.854 70.4 52.0 -63.2 -41.2 44.6 1.7 27.7 590 600 A Q H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.908 111.6 47.4 -66.6 -36.6 41.4 0.5 29.5 591 601 A K H > S+ 0 0 18 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.928 112.2 48.9 -70.9 -41.3 41.5 3.4 31.9 592 602 A G H X S+ 0 0 0 -4,-2.2 4,-2.1 -27,-0.3 5,-0.3 0.913 113.7 47.6 -65.5 -42.9 42.1 6.0 29.2 593 603 A L H X S+ 0 0 0 -4,-2.6 4,-2.6 -28,-0.3 5,-0.2 0.947 113.1 47.9 -59.9 -44.4 39.3 4.5 27.1 594 604 A F H X S+ 0 0 1 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.922 112.3 47.2 -67.6 -43.6 36.9 4.4 29.9 595 605 A E H X S+ 0 0 35 -4,-2.7 4,-0.7 2,-0.2 -1,-0.2 0.833 113.8 47.1 -67.9 -35.5 37.6 7.9 31.1 596 606 A E H >< S+ 0 0 7 -4,-2.1 3,-1.1 -5,-0.2 4,-0.4 0.948 115.1 46.9 -66.7 -46.7 37.3 9.4 27.6 597 607 A Y H >X S+ 0 0 11 -4,-2.6 3,-1.9 -5,-0.3 4,-0.6 0.900 105.0 61.3 -59.5 -39.2 34.1 7.5 27.0 598 608 A A H 3X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.3 10,-0.3 0.735 87.7 73.6 -65.9 -20.9 32.8 8.6 30.4 599 609 A T H << S+ 0 0 57 -3,-1.1 -1,-0.3 -4,-0.7 -2,-0.2 0.787 89.4 61.4 -57.8 -29.6 33.0 12.2 29.2 600 610 A F H <4 S+ 0 0 2 -3,-1.9 -1,-0.2 -4,-0.4 -2,-0.2 0.940 113.2 31.7 -64.0 -44.6 29.9 11.6 27.1 601 611 A G H ><>S+ 0 0 6 -4,-0.6 3,-2.0 -3,-0.3 5,-1.8 0.725 89.0 105.7 -92.4 -20.0 27.6 10.7 30.0 602 612 A R T 3<5S+ 0 0 68 -4,-1.9 23,-0.1 1,-0.3 7,-0.0 -0.416 98.8 4.2 -68.3 125.4 29.0 12.9 32.9 603 613 A G T 3 5S+ 0 0 53 -2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.454 118.9 83.2 80.3 2.1 26.6 15.8 33.6 604 614 A H T < 5S- 0 0 118 -3,-2.0 -2,-0.2 0, 0.0 -1,-0.0 0.078 114.2 -90.7-124.3 18.6 24.2 14.5 30.9 605 615 A G T 5S+ 0 0 1 -4,-0.1 -3,-0.1 -449,-0.0 -4,-0.1 0.353 112.8 79.6 95.7 -5.9 22.3 11.9 32.9 606 616 A H < + 0 0 11 -5,-1.8 -4,-0.2 -6,-0.1 -5,-0.2 -0.074 63.5 172.6-122.9 32.0 24.5 8.8 32.3 607 617 A D - 0 0 17 -6,-0.4 17,-2.6 -7,-0.1 2,-0.4 -0.176 16.5-161.7 -62.6 123.3 27.3 9.5 34.8 608 618 A L - 0 0 9 -10,-0.3 3,-0.1 15,-0.2 -1,-0.1 -0.774 23.3-119.3 -95.2 142.4 29.9 6.8 35.3 609 619 A A - 0 0 4 -2,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.201 51.4 -65.6 -66.9 168.9 31.9 7.0 38.4 610 620 A P >> - 0 0 84 0, 0.0 3,-1.5 0, 0.0 4,-0.8 -0.330 52.3-112.6 -53.3 141.1 35.8 7.4 38.2 611 621 A F H >> S+ 0 0 1 1,-0.3 3,-1.4 2,-0.2 4,-0.8 0.867 114.4 54.0 -41.2 -54.1 37.4 4.3 36.7 612 622 A D H 3> S+ 0 0 85 1,-0.3 4,-1.0 2,-0.2 3,-0.5 0.809 95.4 68.2 -62.0 -26.7 39.1 3.3 39.9 613 623 A A H <> S+ 0 0 35 -3,-1.5 4,-1.1 1,-0.2 -1,-0.3 0.836 96.6 54.6 -62.3 -30.0 35.9 3.3 41.9 614 624 A Y H << S+ 0 0 0 -3,-1.4 -106,-0.6 -4,-0.8 5,-0.4 0.805 101.7 56.2 -76.7 -26.7 34.7 0.3 39.9 615 625 A H H < S+ 0 0 20 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.2 0.745 112.1 46.2 -73.9 -17.6 37.8 -1.8 40.7 616 626 A E H < S+ 0 0 159 -4,-1.0 -2,-0.2 -3,-0.3 2,-0.2 0.699 110.9 56.2 -93.0 -19.5 36.9 -1.2 44.4 617 627 A A S < S- 0 0 23 -4,-1.1 2,-1.1 3,-0.0 -109,-0.3 -0.627 81.6-117.5-110.7 169.6 33.2 -1.9 44.3 618 628 A R S S- 0 0 79 1,-0.4 -581,-0.4 -2,-0.2 -111,-0.1 -0.546 89.0 -57.5 -94.6 62.1 30.9 -4.8 43.3 619 629 A G - 0 0 5 -2,-1.1 -1,-0.4 -5,-0.4 2,-0.3 0.285 53.6-132.7 77.9 157.5 29.5 -2.5 40.7 620 630 A L E -U 506 0J 34 -114,-1.1 -114,-2.2 -3,-0.1 2,-0.5 -0.984 18.9-124.7-143.9 140.7 27.8 0.9 41.0 621 631 A R E -U 505 0J 7 -2,-0.3 9,-2.5 -116,-0.3 -116,-0.2 -0.803 44.0 -91.3 -93.1 121.1 24.5 1.9 39.3 622 632 A W S S+ 0 0 0 -118,-1.8 -14,-0.1 -2,-0.5 2,-0.1 -0.384 102.1 58.3 -70.8 168.0 24.5 5.0 37.0 623 633 A P - 0 0 0 0, 0.0 2,-0.8 0, 0.0 -15,-0.2 0.424 69.4-174.6 -46.9 128.2 24.1 7.9 37.2 624 634 A V + 0 0 9 -17,-2.6 2,-0.4 5,-0.2 5,-0.2 -0.898 10.1 178.5 -96.7 106.1 26.8 8.0 39.8 625 635 A V B > -W 628 0L 34 3,-2.3 3,-2.4 -2,-0.8 -16,-0.1 -0.961 65.0 -10.8-118.6 129.1 26.8 11.6 41.1 626 636 A N T 3 S- 0 0 169 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.889 130.3 -55.2 50.5 42.1 29.1 12.8 43.8 627 637 A G T 3 S+ 0 0 66 -3,-0.2 2,-0.5 1,-0.2 -1,-0.3 0.394 114.4 116.2 78.1 -3.2 30.1 9.2 44.6 628 638 A K B < -W 625 0L 61 -3,-2.4 -3,-2.3 -8,-0.0 -1,-0.2 -0.877 58.5-137.7-108.7 124.0 26.5 8.1 45.1 629 639 A E - 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