==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-APR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 14-JAN-13 3ZIY . COMPND 2 MOLECULE: COPPER-CONTAINING NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: RALSTONIA PICKETTII; . AUTHOR S.V.ANTONYUK,C.HAN,R.R.EADY,S.S.HASNAIN . 457 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 301 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 84 18.4 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 41 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 2 2 0 0 1 1 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 2 0 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 PARALLEL BRIDGES PER LADDER . 4 1 1 4 0 2 3 1 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 0 1 1 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 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 K 0 0 141 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 140.0 -0.7 -25.1 -5.4 2 5 A L - 0 0 120 1,-0.1 3,-0.4 2,-0.1 0, 0.0 -0.609 360.0-107.6 -85.2 146.6 -2.8 -24.1 -8.3 3 6 A P S S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.155 103.2 38.9 -54.6 160.9 -4.9 -20.9 -8.4 4 7 A G S S+ 0 0 5 1,-0.2 2,-2.0 69,-0.1 3,-0.1 0.807 72.1 163.5 62.6 32.8 -8.7 -21.3 -8.1 5 8 A D + 0 0 114 -3,-0.4 -1,-0.2 1,-0.2 118,-0.0 -0.466 16.8 137.2 -86.4 71.5 -8.2 -24.1 -5.5 6 9 A F - 0 0 77 -2,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.221 64.5-105.4-104.9 13.1 -11.8 -24.0 -4.2 7 10 A G - 0 0 29 -3,-0.1 -1,-0.3 25,-0.1 3,-0.1 -0.291 58.4 -28.9 90.2-179.0 -12.3 -27.8 -4.1 8 11 A P S S- 0 0 100 0, 0.0 67,-0.0 0, 0.0 -3,-0.0 -0.298 78.2 -83.2 -68.4 158.3 -14.3 -30.2 -6.2 9 12 A P - 0 0 62 0, 0.0 25,-0.3 0, 0.0 2,-0.2 -0.319 56.0-175.5 -57.4 142.0 -17.5 -29.2 -8.2 10 13 A R + 0 0 139 23,-2.8 25,-0.3 2,-0.1 2,-0.1 -0.754 39.1 31.0-131.0 177.8 -20.5 -29.3 -5.9 11 14 A G S S- 0 0 58 -2,-0.2 3,-0.0 23,-0.1 23,-0.0 -0.473 105.4 -34.4 68.6-148.8 -24.2 -28.8 -6.3 12 15 A E S S- 0 0 151 -2,-0.1 23,-0.2 1,-0.1 -2,-0.1 -0.774 71.2 -90.9-102.4 155.3 -25.8 -29.7 -9.6 13 16 A P - 0 0 69 0, 0.0 2,-0.5 0, 0.0 23,-0.2 -0.404 44.7-140.3 -60.4 141.8 -24.3 -29.4 -13.1 14 17 A I E -a 36 0A 52 21,-2.9 23,-3.0 -2,-0.0 2,-0.8 -0.925 4.0-144.7-111.3 127.2 -25.2 -26.0 -14.5 15 18 A H E -a 37 0A 116 -2,-0.5 23,-0.2 21,-0.2 21,-0.1 -0.821 31.6-126.3 -87.1 111.9 -26.1 -25.5 -18.2 16 19 A A - 0 0 23 21,-2.5 2,-0.6 -2,-0.8 23,-0.3 -0.300 11.7-142.7 -62.6 138.4 -24.7 -22.1 -19.0 17 20 A V - 0 0 118 53,-0.2 2,-0.2 9,-0.1 53,-0.2 -0.902 21.2-160.0-103.5 120.1 -27.0 -19.6 -20.4 18 21 A L - 0 0 37 -2,-0.6 2,-0.3 21,-0.1 51,-0.2 -0.646 2.2-145.5 -96.6 153.1 -25.1 -17.6 -23.0 19 22 A T B -F 68 0B 28 49,-1.2 49,-2.9 -2,-0.2 -2,-0.0 -0.905 9.8-125.0-122.6 154.6 -26.1 -14.1 -24.3 20 23 A S > - 0 0 60 -2,-0.3 3,-2.2 47,-0.2 47,-0.1 -0.701 55.1 -54.5 -91.3 146.7 -25.9 -12.4 -27.6 21 24 A P T 3 S+ 0 0 28 0, 0.0 -1,-0.1 0, 0.0 145,-0.1 -0.258 119.2 24.2 -58.9 147.8 -24.2 -9.0 -27.9 22 25 A P T 3 S+ 0 0 37 0, 0.0 143,-1.9 0, 0.0 2,-0.2 -0.891 111.3 79.3 -94.0 22.3 -24.6 -6.4 -26.5 23 26 A L < - 0 0 99 -3,-2.2 45,-0.2 141,-0.2 -4,-0.1 -0.536 60.3-149.8 -95.5 159.9 -26.1 -8.2 -23.5 24 27 A V - 0 0 21 139,-0.5 139,-0.1 -2,-0.2 -4,-0.1 -0.924 23.9-106.9-124.8 143.3 -24.4 -10.1 -20.7 25 28 A P - 0 0 7 0, 0.0 3,-0.1 0, 0.0 -7,-0.1 -0.281 51.1 -90.2 -65.0 159.8 -25.6 -13.2 -18.7 26 29 A P - 0 0 98 0, 0.0 -9,-0.1 0, 0.0 44,-0.0 -0.259 55.4 -78.4 -64.6 157.5 -26.6 -12.4 -15.1 27 30 A P - 0 0 42 0, 0.0 43,-0.0 0, 0.0 132,-0.0 -0.240 40.9-122.7 -49.0 142.8 -24.0 -12.6 -12.3 28 31 A V - 0 0 34 43,-0.2 44,-0.1 -3,-0.1 128,-0.0 0.829 31.1-163.5 -64.4 -31.5 -23.4 -16.2 -11.3 29 32 A N + 0 0 150 1,-0.2 2,-0.3 2,-0.0 126,-0.1 0.918 38.6 132.1 47.2 64.1 -24.3 -15.4 -7.7 30 33 A R - 0 0 27 124,-0.2 -1,-0.2 1,-0.0 -2,-0.1 -0.999 48.7-163.4-150.7 140.0 -22.8 -18.5 -6.3 31 34 A T S S+ 0 0 122 -2,-0.3 -1,-0.0 2,-0.1 -2,-0.0 0.287 74.3 61.8-109.5 6.3 -20.5 -19.4 -3.4 32 35 A Y S S- 0 0 69 -22,-0.1 2,-0.2 122,-0.0 -25,-0.1 -0.960 86.5-103.2-132.9 152.2 -19.4 -22.9 -4.5 33 36 A P - 0 0 2 0, 0.0 -23,-2.8 0, 0.0 2,-0.3 -0.479 43.7-170.6 -74.5 144.0 -17.5 -24.3 -7.6 34 37 A A - 0 0 0 -25,-0.3 42,-2.3 38,-0.2 2,-0.6 -0.890 31.9-110.5-129.3 161.4 -19.7 -26.0 -10.1 35 38 A K E - b 0 76A 69 -25,-0.3 -21,-2.9 -2,-0.3 2,-0.5 -0.867 40.5-163.7 -85.8 120.3 -19.5 -28.1 -13.3 36 39 A V E -ab 14 77A 4 40,-2.8 42,-2.5 -2,-0.6 2,-0.6 -0.964 8.3-152.3-114.6 121.7 -20.7 -25.8 -16.0 37 40 A I E -ab 15 78A 16 -23,-3.0 -21,-2.5 -2,-0.5 2,-0.5 -0.849 12.7-167.9 -95.6 121.0 -21.7 -27.2 -19.3 38 41 A V E - b 0 79A 0 40,-2.4 42,-3.2 -2,-0.6 2,-0.5 -0.948 4.4-169.8-113.3 128.3 -21.3 -24.7 -22.2 39 42 A E E + b 0 80A 107 -2,-0.5 2,-0.4 -23,-0.3 42,-0.2 -0.978 11.7 171.2-119.0 119.3 -22.8 -25.5 -25.6 40 43 A L E - b 0 81A 5 40,-2.5 42,-2.6 -2,-0.5 2,-0.5 -0.997 14.8-157.1-132.8 133.8 -21.7 -23.2 -28.5 41 44 A E E - b 0 82A 61 -2,-0.4 20,-2.8 40,-0.2 2,-0.4 -0.951 12.1-136.0-117.2 128.4 -22.6 -23.7 -32.2 42 45 A V E -Cb 60 83A 0 40,-3.0 42,-2.5 -2,-0.5 2,-0.4 -0.642 24.0-176.4 -79.2 130.8 -20.6 -22.3 -35.2 43 46 A V E -C 59 0A 26 16,-2.1 16,-2.0 -2,-0.4 2,-0.5 -0.997 15.2-155.5-130.2 127.7 -22.8 -20.9 -37.9 44 47 A E E +C 58 0A 24 -2,-0.4 2,-0.3 14,-0.2 14,-0.2 -0.885 36.1 145.9 -95.6 125.6 -21.5 -19.5 -41.2 45 48 A K E -C 57 0A 80 12,-2.6 12,-2.3 -2,-0.5 2,-0.3 -0.989 50.1-103.9-163.0 150.5 -24.0 -17.0 -42.7 46 49 A E E +C 56 0A 113 -2,-0.3 2,-0.3 10,-0.3 10,-0.2 -0.597 43.5 165.5 -73.9 136.4 -24.3 -13.8 -44.7 47 50 A M E -C 55 0A 52 8,-2.2 8,-1.9 -2,-0.3 2,-0.7 -0.951 44.0 -91.5-140.3 166.9 -25.1 -10.7 -42.7 48 51 A Q E -C 54 0A 77 -2,-0.3 6,-0.3 6,-0.2 3,-0.1 -0.701 30.9-179.1 -81.5 114.2 -25.1 -7.0 -43.4 49 52 A I E S- 0 0 0 4,-2.0 155,-2.8 -2,-0.7 2,-0.3 0.711 80.6 -6.1 -79.4 -24.7 -21.7 -5.4 -42.5 50 53 A S E > S-C 53 0A 4 3,-1.3 3,-2.5 153,-0.2 -1,-0.3 -0.932 107.8 -57.6-156.0 170.7 -23.0 -2.0 -43.6 51 54 A E T 3 S- 0 0 27 1,-0.3 3,-0.1 -2,-0.3 279,-0.0 -0.344 126.6 -2.2 -62.6 125.3 -26.3 -0.9 -45.3 52 55 A G T 3 S+ 0 0 8 -2,-0.2 129,-2.4 1,-0.2 2,-0.5 0.569 109.5 111.4 71.4 9.4 -26.5 -2.8 -48.6 53 56 A V E < -Cd 50 181A 0 -3,-2.5 -4,-2.0 127,-0.2 -3,-1.3 -0.965 49.2-166.8-120.2 112.0 -23.2 -4.5 -48.0 54 57 A S E -Cd 48 182A 25 127,-1.6 129,-3.0 -2,-0.5 2,-0.3 -0.655 6.4-178.5 -95.7 154.5 -23.3 -8.3 -47.3 55 58 A Y E -C 47 0A 1 -8,-1.9 -8,-2.2 -2,-0.2 2,-1.1 -0.984 32.6-118.2-150.4 143.2 -20.5 -10.4 -46.0 56 59 A T E -C 46 0A 58 127,-0.5 -10,-0.3 -2,-0.3 2,-0.2 -0.763 40.5-168.1 -87.5 98.0 -20.1 -14.1 -45.2 57 60 A F E -C 45 0A 1 -12,-2.3 -12,-2.6 -2,-1.1 2,-0.5 -0.594 17.8-147.1 -84.5 150.4 -19.4 -14.1 -41.5 58 61 A W E -C 44 0A 17 85,-2.3 2,-0.3 -2,-0.2 -14,-0.2 -0.982 33.4-175.6-114.4 124.7 -18.3 -17.1 -39.5 59 62 A T E -C 43 0A 0 -16,-2.0 -16,-2.1 -2,-0.5 2,-0.8 -0.916 38.0-134.3-132.7 150.1 -19.8 -16.9 -36.1 60 63 A F E S-C 42 0A 0 3,-0.7 7,-1.7 84,-0.4 3,-0.5 -0.897 103.7 -7.5 -96.5 103.6 -19.9 -18.5 -32.6 61 64 A G S S- 0 0 31 -20,-2.8 -1,-0.2 -2,-0.8 -19,-0.1 0.572 122.0 -68.3 86.4 12.0 -23.6 -18.6 -31.9 62 65 A G S S+ 0 0 10 1,-0.3 2,-0.3 -21,-0.3 -1,-0.2 0.464 109.9 84.8 93.8 -0.1 -24.9 -16.6 -34.9 63 66 A T S S- 0 0 31 -3,-0.5 -3,-0.7 81,-0.1 -1,-0.3 -0.910 76.6-104.3-133.0 160.9 -23.4 -13.2 -33.9 64 67 A V S S+ 0 0 9 -2,-0.3 2,-0.2 137,-0.2 83,-0.1 -0.993 113.9 32.4-125.0 118.0 -20.2 -11.1 -34.1 65 68 A P S S- 0 0 0 0, 0.0 82,-0.3 0, 0.0 3,-0.1 0.661 112.4-117.6 -64.8 170.2 -18.9 -11.1 -31.5 66 69 A G - 0 0 0 80,-2.9 82,-0.4 1,-0.2 -5,-0.2 -0.007 47.3 -55.2 -71.0 176.5 -19.9 -14.6 -30.4 67 70 A S - 0 0 12 -7,-1.7 2,-0.3 -4,-0.1 -47,-0.2 -0.222 58.5-115.3 -57.7 141.8 -22.1 -15.5 -27.5 68 71 A F B -F 19 0B 0 -49,-2.9 -49,-1.2 -45,-0.2 2,-0.4 -0.627 26.9-156.6 -82.0 132.6 -20.9 -14.3 -24.1 69 72 A I E -g 149 0C 0 79,-2.0 81,-2.9 -2,-0.3 2,-0.4 -0.926 7.6-170.0-110.7 133.8 -19.9 -17.0 -21.6 70 73 A R E +g 150 0C 17 -2,-0.4 2,-0.2 79,-0.2 81,-0.2 -0.973 17.9 148.9-132.2 119.2 -20.0 -16.3 -17.8 71 74 A V E -g 151 0C 0 79,-2.8 81,-3.0 -2,-0.4 2,-0.4 -0.738 40.7-104.1-134.0-179.9 -18.5 -18.7 -15.2 72 75 A R E > -g 152 0C 16 79,-0.3 3,-2.5 -2,-0.2 50,-0.2 -0.916 39.1 -98.9-112.9 139.0 -16.8 -18.5 -11.8 73 76 A Q T 3 S+ 0 0 30 79,-3.0 50,-0.2 -2,-0.4 3,-0.1 -0.316 113.6 31.6 -51.2 133.4 -13.1 -18.9 -11.0 74 77 A G T 3 S+ 0 0 2 48,-3.1 -1,-0.3 1,-0.4 49,-0.1 0.245 90.0 131.3 94.4 -9.4 -12.7 -22.5 -9.8 75 78 A D < - 0 0 0 -3,-2.5 47,-2.8 47,-0.3 2,-0.6 -0.375 57.6-129.4 -71.6 154.2 -15.4 -23.9 -12.0 76 79 A T E -bE 35 121A 34 -42,-2.3 -40,-2.8 45,-0.2 2,-0.6 -0.944 26.3-156.6 -99.8 119.4 -15.0 -27.0 -14.1 77 80 A V E -bE 36 120A 1 43,-3.3 43,-2.3 -2,-0.6 2,-0.8 -0.896 11.7-161.8-106.8 120.6 -16.2 -26.2 -17.6 78 81 A E E -bE 37 119A 32 -42,-2.5 -40,-2.4 -2,-0.6 2,-0.6 -0.902 22.1-158.3 -97.7 104.9 -17.3 -29.0 -20.0 79 82 A F E -bE 38 118A 1 39,-3.1 39,-1.8 -2,-0.8 2,-0.5 -0.815 11.7-169.9-100.9 119.3 -17.1 -27.2 -23.3 80 83 A H E -bE 39 117A 17 -42,-3.2 -40,-2.5 -2,-0.6 2,-0.5 -0.939 0.8-169.5-109.1 121.6 -19.2 -28.5 -26.3 81 84 A L E -bE 40 116A 1 35,-2.3 35,-2.5 -2,-0.5 2,-0.3 -0.957 4.1-171.2-111.3 123.4 -18.5 -27.0 -29.7 82 85 A K E -bE 41 115A 82 -42,-2.6 -40,-3.0 -2,-0.5 2,-0.5 -0.860 12.4-150.9-107.9 145.5 -21.0 -27.9 -32.5 83 86 A N E -b 42 0A 3 31,-2.5 30,-2.0 -2,-0.3 31,-0.2 -0.982 28.2-119.8-116.2 115.4 -20.3 -27.0 -36.2 84 87 A H > - 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0 0 23 -3,-1.8 2,-0.9 24,-0.1 -1,-0.4 -0.595 60.7-138.7 -73.2 139.4 -7.7 -21.8 -20.3 99 102 A T + 0 0 84 22,-0.5 22,-0.2 -2,-0.3 -1,-0.0 -0.862 68.0 69.2 -99.1 99.6 -4.7 -23.6 -18.8 100 103 A G S > S- 0 0 40 -2,-0.9 3,-2.3 20,-0.1 4,-0.1 -0.737 92.9 -55.4 159.4 154.9 -3.6 -26.0 -21.5 101 104 A P G > S- 0 0 129 0, 0.0 3,-1.2 0, 0.0 5,-0.4 -0.175 119.0 -0.2 -57.4 133.3 -2.1 -26.2 -25.0 102 105 A G G > S- 0 0 41 1,-0.3 3,-1.3 2,-0.2 -3,-0.1 0.526 107.4 -93.5 70.9 4.1 -4.0 -24.2 -27.6 103 106 A G G < S- 0 0 6 -3,-2.3 -8,-2.4 1,-0.3 -1,-0.3 0.742 96.1 -37.1 60.7 23.7 -6.6 -23.0 -25.1 104 107 A G G <> S+ 0 0 9 -3,-1.2 4,-1.3 -10,-0.2 -1,-0.3 0.258 106.1 129.0 111.0 -8.4 -8.7 -26.0 -26.2 105 108 A A T <4 + 0 0 14 -3,-1.3 3,-0.4 1,-0.2 4,-0.2 0.855 68.3 44.4 -60.1 -48.2 -7.8 -25.9 -29.9 106 109 A A T >4 S+ 0 0 90 -5,-0.4 3,-1.0 1,-0.2 -1,-0.2 0.933 116.7 45.9 -64.7 -40.8 -6.7 -29.5 -30.6 107 110 A S T 34 S+ 0 0 82 1,-0.2 10,-0.4 -3,-0.2 -1,-0.2 0.667 110.1 54.9 -78.7 -8.8 -9.6 -31.2 -28.8 108 111 A S T 3< + 0 0 0 -4,-1.3 2,-0.3 -3,-0.4 -1,-0.2 0.217 67.9 136.1-109.1 13.9 -12.2 -28.9 -30.2 109 112 A F < - 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0 0 85 0, 0.0 -17,-0.3 0, 0.0 -18,-0.0 -0.278 27.8 -95.2 -62.4 153.6 -12.8 19.4 -50.7 417 420 A P - 0 0 76 0, 0.0 -19,-0.2 0, 0.0 -20,-0.2 -0.302 27.2-160.0 -63.0 153.2 -13.1 16.4 -53.0 418 421 A M > + 0 0 48 -22,-1.7 3,-2.0 -23,-0.2 -20,-0.1 -0.321 35.1 146.7-130.7 49.8 -15.2 13.5 -51.7 419 422 A T T 3 + 0 0 59 -22,-0.4 -1,-0.1 1,-0.3 -22,-0.1 0.681 58.6 71.6 -70.3 -20.0 -13.9 10.8 -54.0 420 423 A Q T 3 S+ 0 0 149 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.668 74.5 101.8 -71.5 -17.3 -14.3 8.1 -51.4 421 424 A L S < S- 0 0 25 -3,-2.0 2,-0.1 -25,-0.1 -243,-0.1 -0.490 78.5-122.2 -63.6 139.1 -18.1 8.2 -51.8 422 425 A N > - 0 0 9 -2,-0.2 4,-2.4 -245,-0.1 3,-0.4 -0.371 24.3-103.1 -80.0 164.9 -19.3 5.3 -54.0 423 426 A D H > S+ 0 0 33 1,-0.3 4,-2.3 2,-0.2 26,-0.2 0.865 121.9 49.2 -59.4 -42.8 -21.2 5.9 -57.2 424 427 A D H > S+ 0 0 30 2,-0.2 4,-2.6 1,-0.2 -1,-0.3 0.843 109.9 53.0 -63.9 -35.7 -24.5 5.0 -55.7 425 428 A E H > S+ 0 0 6 -3,-0.4 4,-2.8 2,-0.2 5,-0.2 0.946 110.7 44.9 -66.7 -47.7 -23.9 7.3 -52.7 426 429 A V H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.930 115.1 49.9 -58.5 -47.3 -23.2 10.3 -54.9 427 430 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 -5,-0.3 17,-0.5 0.919 113.5 44.4 -58.3 -46.0 -26.2 9.5 -57.1 428 431 A N H X S+ 0 0 8 -4,-2.6 4,-2.5 2,-0.2 -75,-0.4 0.919 113.1 50.4 -69.5 -43.6 -28.5 9.1 -54.1 429 432 A I H X S+ 0 0 5 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.943 113.6 45.3 -57.4 -49.5 -27.3 12.3 -52.3 430 433 A L H X S+ 0 0 12 -4,-2.6 4,-2.8 -5,-0.2 -1,-0.2 0.871 111.0 53.1 -67.5 -34.0 -27.6 14.4 -55.5 431 434 A T H X S+ 0 0 0 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.916 109.0 50.6 -65.9 -40.0 -31.1 12.9 -56.2 432 435 A Y H < S+ 0 0 19 -4,-2.5 3,-0.4 -83,-0.3 -2,-0.2 0.955 112.1 46.5 -55.6 -51.6 -32.1 13.9 -52.7 433 436 A V H >< S+ 0 0 3 -4,-2.5 3,-1.7 1,-0.2 6,-0.3 0.935 110.8 52.1 -59.6 -46.3 -30.9 17.4 -53.2 434 437 A L H 3< S+ 0 0 8 -4,-2.8 7,-2.7 1,-0.3 -1,-0.2 0.783 111.5 47.8 -60.9 -29.0 -32.6 17.8 -56.6 435 438 A N T 3< S+ 0 0 60 -4,-1.5 2,-0.3 -3,-0.4 -1,-0.3 0.199 107.2 69.2 -99.0 14.8 -35.9 16.7 -55.1 436 439 A S S X S+ 0 0 16 -3,-1.7 3,-2.2 1,-0.1 -55,-0.3 -0.846 89.6 19.4-123.3 160.4 -35.7 19.0 -52.1 437 440 A W T 3 S- 0 0 57 -2,-0.3 -56,-1.6 1,-0.3 -1,-0.1 0.800 125.3 -57.5 59.9 36.1 -35.9 22.7 -51.4 438 441 A D T 3 S+ 0 0 136 1,-0.2 -1,-0.3 -3,-0.1 -4,-0.1 0.637 93.3 149.8 66.2 18.4 -37.6 23.7 -54.7 439 442 A N < - 0 0 18 -3,-2.2 -1,-0.2 -6,-0.3 -5,-0.1 -0.241 61.6 -97.8 -74.3 168.1 -34.9 22.2 -56.8 440 443 A P - 0 0 93 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 0.458 50.2-138.7 -79.2 0.3 -35.9 20.9 -60.3 441 444 A G + 0 0 19 -7,-2.7 2,-0.1 -5,-0.2 -6,-0.1 -0.385 51.6 115.9 76.3-160.4 -36.3 17.2 -59.5 442 445 A G - 0 0 47 -2,-0.1 2,-0.3 -7,-0.1 -1,-0.1 -0.446 58.4 -96.8 84.2-162.6 -35.2 14.4 -61.7 443 446 A R - 0 0 109 -2,-0.1 2,-0.4 -9,-0.1 -15,-0.1 -0.988 9.2-137.8-153.6 159.5 -32.4 12.0 -60.7 444 447 A V - 0 0 4 -17,-0.5 2,-0.2 -2,-0.3 -13,-0.2 -0.977 28.2-147.1-118.2 132.9 -28.8 11.1 -60.9 445 448 A S > - 0 0 41 -2,-0.4 4,-1.8 1,-0.1 5,-0.2 -0.669 24.3-117.6 -99.3 158.6 -27.9 7.4 -61.5 446 449 A A H > S+ 0 0 42 -2,-0.2 4,-2.6 1,-0.2 5,-0.1 0.880 118.7 54.2 -56.7 -38.9 -24.9 5.4 -60.2 447 450 A E H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.887 103.3 55.8 -65.2 -38.0 -24.0 4.9 -63.9 448 451 A D H > S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.936 111.8 43.6 -56.1 -45.9 -24.0 8.7 -64.5 449 452 A V H X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 5,-0.2 0.903 107.0 59.0 -70.1 -40.3 -21.5 9.0 -61.6 450 453 A K H X S+ 0 0 113 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.900 106.2 50.2 -53.8 -42.2 -19.4 6.1 -62.8 451 454 A K H X S+ 0 0 125 -4,-1.9 4,-0.8 2,-0.2 -1,-0.2 0.903 110.8 47.3 -66.8 -41.5 -18.9 8.0 -66.1 452 455 A V H >< S+ 0 0 4 -4,-1.6 3,-0.6 1,-0.2 -2,-0.2 0.891 110.8 53.0 -67.0 -37.4 -17.9 11.3 -64.4 453 456 A R H 3< S+ 0 0 64 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.884 107.3 51.7 -63.6 -39.8 -15.5 9.4 -62.2 454 457 A A H 3< S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.656 125.3 24.9 -71.6 -18.6 -13.9 7.8 -65.2 455 458 A Q S << S- 0 0 123 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.1 -0.605 81.2-160.9-147.7 82.5 -13.3 11.2 -66.9 456 459 A P 0 0 75 0, 0.0 -3,-0.1 0, 0.0 -62,-0.0 -0.149 360.0 360.0 -56.6 156.0 -13.1 14.2 -64.5 457 460 A A 0 0 124 -66,-0.1 -66,-0.0 -5,-0.0 -5,-0.0 0.683 360.0 360.0 -70.9 360.0 -13.7 17.8 -65.7