==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 02-JUL-97 1AOF . COMPND 2 MOLECULE: NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS PANTOTROPHUS; . AUTHOR P.A.WILLIAMS,V.FULOP . 1074 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 715 66.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 335 31.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 28 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 92 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 1.9 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 6 2 1 4 0 0 3 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 6 0 10 23 13 1 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 0 10 4 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 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 36 A D 0 0 157 0, 0.0 2,-0.2 0, 0.0 19,-0.0 0.000 360.0 360.0 360.0 143.1 26.6 24.4 54.7 2 37 A V - 0 0 42 14,-0.1 2,-0.5 1,-0.0 18,-0.1 -0.607 360.0-101.3-101.8 161.7 26.4 22.1 57.7 3 38 A A - 0 0 35 -2,-0.2 95,-0.2 95,-0.1 589,-0.1 -0.709 41.4-120.9 -83.1 123.3 27.9 22.3 61.2 4 39 A A - 0 0 0 -2,-0.5 2,-0.1 587,-0.1 12,-0.1 -0.403 26.8-126.2 -65.8 135.5 31.1 20.1 61.4 5 40 A P - 0 0 11 0, 0.0 9,-0.4 0, 0.0 2,-0.1 -0.447 25.0-103.9 -80.4 158.5 30.8 17.4 64.1 6 41 A G - 0 0 3 543,-0.4 89,-0.4 -2,-0.1 543,-0.2 -0.459 35.3-116.3 -77.7 157.4 33.4 17.0 66.8 7 42 A A - 0 0 17 543,-0.4 543,-0.2 541,-0.1 6,-0.1 -0.779 23.1-133.1 -99.7 138.4 36.0 14.1 66.5 8 43 A P > - 0 0 47 0, 0.0 3,-0.7 0, 0.0 2,-0.2 -0.142 49.2 -58.7 -75.2 179.8 36.1 11.3 69.1 9 44 A E T 3 S+ 0 0 193 1,-0.2 3,-0.1 3,-0.0 540,-0.0 -0.438 128.7 11.3 -65.7 125.9 39.3 9.9 70.7 10 45 A G T 3 S+ 0 0 68 1,-0.3 2,-0.3 -2,-0.2 -1,-0.2 -0.138 105.7 106.3 97.7 -37.1 41.7 8.7 68.0 11 46 A V S < S- 0 0 22 -3,-0.7 -1,-0.3 82,-0.1 2,-0.2 -0.591 70.8-126.8 -80.2 134.2 39.6 10.3 65.3 12 47 A T - 0 0 86 -2,-0.3 2,-0.2 -3,-0.1 81,-0.1 -0.526 22.1-124.1 -78.4 145.4 41.1 13.5 63.7 13 48 A A - 0 0 53 -2,-0.2 2,-0.4 -6,-0.1 -7,-0.1 -0.558 16.7-145.0 -89.2 154.8 38.9 16.6 63.5 14 49 A L - 0 0 10 -9,-0.4 538,-0.4 -2,-0.2 -7,-0.0 -0.941 21.7-112.4-119.0 142.4 38.2 18.4 60.3 15 50 A S > - 0 0 27 -2,-0.4 4,-3.2 1,-0.1 5,-0.3 -0.254 33.0-106.7 -66.6 162.0 37.8 22.2 60.0 16 51 A D H > S+ 0 0 59 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.894 125.7 49.8 -56.5 -37.1 34.4 23.6 59.2 17 52 A A H > S+ 0 0 70 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.958 111.9 45.8 -65.7 -52.4 35.8 24.3 55.8 18 53 A Q H > S+ 0 0 79 1,-0.2 4,-2.7 2,-0.2 3,-0.3 0.943 113.2 49.5 -56.1 -53.9 37.3 20.8 55.3 19 54 A Y H X S+ 0 0 2 -4,-3.2 4,-2.4 1,-0.2 -1,-0.2 0.880 110.2 48.8 -56.1 -45.4 34.1 19.1 56.5 20 55 A N H X S+ 0 0 17 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.839 111.4 52.0 -66.4 -28.5 31.8 21.0 54.2 21 56 A E H X S+ 0 0 99 -4,-1.8 4,-1.7 -3,-0.3 3,-0.3 0.971 113.5 42.1 -69.7 -52.0 34.1 20.3 51.3 22 57 A A H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.813 111.2 58.2 -63.2 -32.0 34.1 16.5 52.0 23 58 A N H X S+ 0 0 6 -4,-2.4 4,-2.7 -5,-0.3 -1,-0.2 0.886 105.4 48.2 -67.3 -39.6 30.3 16.7 52.7 24 59 A K H X S+ 0 0 96 -4,-1.7 4,-2.0 -3,-0.3 5,-0.3 0.894 110.5 50.8 -69.5 -39.1 29.5 18.1 49.2 25 60 A I H X>S+ 0 0 12 -4,-1.7 4,-2.7 2,-0.2 5,-0.7 0.930 113.7 47.2 -62.8 -43.5 31.7 15.5 47.5 26 61 A Y H X>S+ 0 0 1 -4,-2.1 5,-2.7 1,-0.2 4,-1.0 0.963 112.6 45.7 -63.2 -54.5 29.9 12.8 49.4 27 62 A F H <5S+ 0 0 49 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.810 119.6 42.1 -60.9 -30.4 26.3 14.0 48.8 28 63 A E H <5S+ 0 0 158 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.903 132.3 16.8 -83.2 -42.8 27.0 14.5 45.1 29 64 A R H <5S+ 0 0 95 -4,-2.7 -3,-0.2 -5,-0.3 3,-0.2 0.904 132.0 28.5 -97.6 -50.7 29.0 11.3 44.4 30 65 A C T >X< - 0 0 3 -4,-1.8 3,-2.4 -5,-0.4 -3,-0.1 0.375 24.0 -96.6 85.4 138.4 22.6 6.3 51.2 36 71 A V T 3 S+ 0 0 20 1,-0.3 61,-0.1 2,-0.1 -1,-0.1 0.817 130.0 45.3 -58.7 -29.3 22.4 10.0 52.2 37 72 A L T 3 S- 0 0 30 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.154 115.9-116.6 -99.8 16.9 22.5 8.9 55.8 38 73 A R S < S+ 0 0 1 -3,-2.4 8,-1.5 1,-0.1 9,-0.4 0.560 78.7 129.6 59.5 13.0 25.3 6.5 55.2 39 74 A K S S- 0 0 110 6,-0.2 6,-0.2 1,-0.1 -4,-0.2 0.636 70.8-118.4 -70.0 -13.7 23.0 3.6 56.2 40 75 A G + 0 0 20 -6,-2.9 -6,-0.2 4,-0.2 4,-0.2 0.066 46.8 165.8 89.8 153.3 24.0 1.8 53.0 41 76 A A S S+ 0 0 46 2,-1.6 -7,-0.2 -8,-0.9 -8,-0.1 -0.168 82.6 8.2-159.9 -88.1 21.8 0.8 50.0 42 77 A T S S+ 0 0 108 -9,-0.9 2,-0.3 -10,-0.3 -8,-0.2 0.132 137.7 39.7 -94.4 16.1 23.6 -0.1 46.7 43 78 A G S S- 0 0 24 -10,-1.0 -2,-1.6 -11,-0.0 3,-0.1 -0.946 105.2 -73.6-154.6 164.4 26.8 0.0 48.7 44 79 A K - 0 0 180 -2,-0.3 2,-0.4 -4,-0.2 -4,-0.2 -0.166 56.9 -92.1 -64.4 157.5 28.0 -1.0 52.2 45 80 A A - 0 0 31 -6,-0.2 -6,-0.2 -5,-0.1 -1,-0.1 -0.586 34.2-169.0 -73.3 127.1 26.9 1.0 55.2 46 81 A L + 0 0 27 -8,-1.5 -7,-0.1 -2,-0.4 -1,-0.1 -0.104 31.8 144.5-108.8 33.4 29.5 3.7 56.1 47 82 A T >> - 0 0 18 -9,-0.4 4,-2.4 1,-0.1 3,-2.0 -0.403 62.6-107.2 -71.7 152.2 28.2 4.7 59.5 48 83 A P H 3> S+ 0 0 12 0, 0.0 4,-2.9 0, 0.0 5,-0.4 0.856 115.0 61.3 -43.1 -54.5 30.8 5.6 62.3 49 84 A D H 34 S+ 0 0 100 1,-0.2 4,-0.2 2,-0.2 44,-0.0 0.722 116.6 32.9 -50.5 -26.0 30.3 2.4 64.3 50 85 A L H <> S+ 0 0 76 -3,-2.0 4,-1.3 2,-0.1 3,-0.3 0.843 117.9 50.9 -97.9 -45.8 31.6 0.4 61.3 51 86 A T H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.883 105.2 56.6 -60.5 -43.7 34.1 2.8 59.7 52 87 A R H < S+ 0 0 82 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.1 0.838 104.5 52.6 -60.1 -34.4 36.0 3.5 63.0 53 88 A D H 4 S+ 0 0 137 -5,-0.4 -1,-0.2 -3,-0.3 -2,-0.2 0.883 108.0 52.3 -68.8 -38.3 36.7 -0.2 63.5 54 89 A L H < S- 0 0 75 -4,-1.3 4,-0.4 -3,-0.1 -2,-0.2 0.878 104.5-147.3 -64.7 -40.9 38.1 -0.4 60.0 55 90 A G X - 0 0 25 -4,-1.9 4,-1.9 2,-0.1 3,-0.2 0.081 24.4 -68.3 89.9 160.0 40.5 2.5 60.5 56 91 A F H >> S+ 0 0 72 1,-0.2 4,-3.0 2,-0.2 3,-0.6 0.936 126.2 47.1 -47.6 -70.1 41.9 5.3 58.4 57 92 A D H 3> S+ 0 0 117 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.794 109.8 55.3 -46.8 -38.9 44.2 3.3 56.1 58 93 A Y H 3> S+ 0 0 105 -4,-0.4 4,-2.1 -3,-0.2 -1,-0.3 0.941 114.5 38.8 -61.8 -49.3 41.5 0.7 55.4 59 94 A L H S+ 0 0 47 -4,-2.0 4,-3.1 -5,-0.3 5,-0.6 0.972 109.5 51.8 -72.9 -55.8 42.7 2.3 50.4 62 97 A F H X5S+ 0 0 79 -4,-2.1 4,-0.9 1,-0.2 12,-0.3 0.806 112.1 50.7 -50.7 -32.4 39.1 1.3 49.5 63 98 A I H <5S+ 0 0 15 -4,-2.2 12,-1.0 -5,-0.2 11,-1.0 0.916 116.4 37.4 -73.4 -46.4 38.6 4.9 48.3 64 99 A T H <5S+ 0 0 31 -4,-1.5 12,-2.8 10,-0.3 13,-0.3 0.904 130.7 25.8 -74.7 -41.9 41.7 5.1 46.1 65 100 A Y H <5S- 0 0 161 -4,-3.1 -3,-0.2 1,-0.2 8,-0.2 0.820 87.2-163.5 -94.2 -36.6 41.7 1.6 44.6 66 101 A A << - 0 0 23 -4,-0.9 -1,-0.2 -5,-0.6 7,-0.1 -0.478 14.5-105.9 86.0-156.7 38.1 0.4 44.7 67 102 A S - 0 0 41 4,-2.3 3,-0.4 -2,-0.2 6,-0.1 -0.961 17.6-109.6-164.1 168.9 36.9 -3.2 44.4 68 103 A P S S+ 0 0 140 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.740 105.3 71.8 -79.3 -27.4 35.2 -5.6 41.9 69 104 A A S S- 0 0 104 1,-0.1 -3,-0.0 2,-0.0 0, 0.0 0.658 128.7 -71.0 -66.3 -17.8 31.9 -5.8 43.9 70 105 A G S S+ 0 0 61 -3,-0.4 -1,-0.1 1,-0.3 -28,-0.0 0.255 91.1 124.7 149.7 -20.2 30.9 -2.2 43.0 71 106 A M - 0 0 39 1,-0.1 -4,-2.3 2,-0.0 -1,-0.3 -0.598 56.2-131.5 -74.1 119.3 33.1 0.3 44.7 72 107 A P - 0 0 62 0, 0.0 2,-1.6 0, 0.0 3,-0.2 -0.300 16.9-110.4 -70.4 153.7 34.7 2.7 42.1 73 108 A N > + 0 0 72 1,-0.2 4,-2.0 -8,-0.2 6,-0.4 -0.581 44.1 168.0 -87.3 78.8 38.4 3.6 42.0 74 109 A W T 4>S+ 0 0 44 -2,-1.6 6,-2.5 -11,-1.0 5,-0.7 0.848 73.6 40.9 -61.2 -38.2 38.2 7.2 43.0 75 110 A G T >45S+ 0 0 16 -12,-1.0 3,-1.2 -3,-0.2 -10,-0.2 0.978 118.3 41.2 -76.2 -57.4 41.9 7.7 43.6 76 111 A T T 345S+ 0 0 84 -12,-2.8 -2,-0.2 1,-0.3 -1,-0.1 0.785 111.3 57.4 -62.3 -30.8 43.5 5.8 40.7 77 112 A S T 3<5S- 0 0 57 -4,-2.0 -1,-0.3 -13,-0.3 -2,-0.2 0.681 110.3-122.7 -73.6 -17.9 40.9 7.1 38.2 78 113 A G T < 5S+ 0 0 60 -3,-1.2 -3,-0.2 -4,-0.4 3,-0.1 0.540 79.1 123.3 86.5 6.8 41.9 10.6 39.2 79 114 A E S - 0 0 66 -2,-0.4 4,-2.5 -3,-0.1 5,-0.2 -0.237 36.4 -93.9 -68.9 165.5 43.0 13.9 44.2 82 117 A A H > S+ 0 0 82 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.880 126.5 47.4 -46.0 -50.7 45.3 12.6 47.1 83 118 A E H > S+ 0 0 163 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.966 110.4 51.2 -58.7 -53.4 44.1 15.3 49.4 84 119 A Q H > S+ 0 0 48 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.851 108.6 53.4 -52.6 -38.8 40.4 14.7 48.6 85 120 A V H X S+ 0 0 4 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.964 111.1 44.0 -62.6 -52.1 40.9 11.0 49.3 86 121 A D H X S+ 0 0 67 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.871 113.0 53.8 -59.9 -37.5 42.4 11.6 52.8 87 122 A L H X S+ 0 0 15 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.964 111.7 44.0 -60.7 -51.5 39.7 14.2 53.4 88 123 A M H X S+ 0 0 7 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.836 110.1 55.9 -63.7 -35.3 37.0 11.7 52.5 89 124 A A H < S+ 0 0 0 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.889 113.5 40.4 -65.5 -38.3 38.7 9.0 54.6 90 125 A N H >X S+ 0 0 14 -4,-2.0 3,-1.2 -5,-0.2 4,-0.5 0.867 110.2 58.8 -77.0 -37.1 38.6 11.2 57.7 91 126 A Y H >< S+ 0 0 0 -4,-2.7 3,-1.9 1,-0.3 -2,-0.2 0.919 100.6 57.4 -56.3 -43.8 35.1 12.4 56.9 92 127 A L T 3< S+ 0 0 11 -4,-2.2 -1,-0.3 1,-0.3 -41,-0.2 0.677 100.6 57.1 -62.7 -20.2 33.8 8.8 57.0 93 128 A L T <4 S+ 0 0 13 -3,-1.2 -1,-0.3 -4,-0.3 2,-0.2 0.593 99.2 77.5 -85.8 -12.4 35.2 8.5 60.6 94 129 A L S << S- 0 0 0 -3,-1.9 3,-0.1 -4,-0.5 -87,-0.1 -0.580 99.0 -79.9 -96.1 160.1 33.0 11.5 61.6 95 130 A D - 0 0 65 -89,-0.4 -1,-0.1 -2,-0.2 -2,-0.1 -0.213 59.1 -91.7 -57.3 145.0 29.3 11.5 62.3 96 131 A P - 0 0 45 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.289 40.2-116.2 -60.8 138.9 27.0 11.7 59.2 97 132 A A - 0 0 7 -61,-0.1 -93,-0.1 -3,-0.1 -95,-0.0 -0.636 29.2-112.7 -79.4 133.9 26.0 15.2 58.1 98 133 A A - 0 0 76 -2,-0.3 -1,-0.1 -95,-0.2 -95,-0.1 -0.557 35.9-132.9 -69.3 115.2 22.3 15.9 58.3 99 134 A P - 0 0 14 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.228 27.4 -92.4 -66.3 157.6 21.1 16.2 54.7 100 135 A P - 0 0 85 0, 0.0 2,-0.1 0, 0.0 105,-0.1 -0.476 34.8-135.6 -75.7 143.9 18.8 19.2 53.6 101 136 A E - 0 0 66 -2,-0.2 2,-0.2 701,-0.1 103,-0.1 -0.420 7.6-153.2 -88.6 170.0 15.0 18.8 53.7 102 137 A F + 0 0 32 -2,-0.1 2,-0.1 101,-0.1 103,-0.0 -0.676 29.7 156.4-149.7 84.1 12.8 20.0 50.9 103 138 A G > - 0 0 2 -2,-0.2 4,-2.4 699,-0.1 3,-0.2 -0.112 58.4 -60.7 -95.9-160.6 9.3 20.9 52.0 104 139 A M H > S+ 0 0 18 696,-2.3 4,-2.8 695,-0.3 5,-0.2 0.853 128.6 53.2 -51.6 -48.5 6.4 23.1 50.9 105 140 A K H > S+ 0 0 125 694,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.937 112.5 45.2 -56.3 -46.2 8.3 26.4 51.0 106 141 A E H > S+ 0 0 47 -3,-0.2 4,-1.1 1,-0.2 -2,-0.2 0.888 113.4 49.0 -66.1 -41.9 11.1 25.0 48.8 107 142 A M H X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.2 95,-0.4 0.907 110.4 51.1 -65.5 -41.8 8.8 23.4 46.3 108 143 A R H < S+ 0 0 101 -4,-2.8 -1,-0.2 1,-0.2 3,-0.2 0.819 104.9 56.5 -67.2 -28.3 6.8 26.6 46.0 109 144 A E H < S+ 0 0 130 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.8 42.1 -71.5 -28.0 10.0 28.6 45.4 110 145 A S H < S+ 0 0 17 -4,-1.1 2,-0.4 -3,-0.4 -1,-0.2 0.539 91.6 109.0 -93.3 -10.5 10.7 26.3 42.4 111 146 A W < + 0 0 60 -4,-0.8 2,-0.4 -3,-0.2 90,-0.2 -0.550 41.3 171.8 -74.4 125.6 7.1 26.3 41.2 112 147 A K E -A 200 0A 96 88,-2.6 88,-2.2 -2,-0.4 2,-0.7 -0.986 22.3-160.3-138.9 125.9 6.5 28.1 37.9 113 148 A V E -A 199 0A 54 -2,-0.4 86,-0.3 86,-0.2 3,-0.2 -0.925 11.4-179.9-104.5 107.4 3.3 28.2 35.8 114 149 A H S S+ 0 0 98 84,-1.6 2,-0.5 -2,-0.7 85,-0.2 0.878 76.4 23.5 -75.1 -42.6 4.3 29.3 32.4 115 150 A V S S- 0 0 34 83,-1.9 -1,-0.3 125,-0.0 5,-0.1 -0.963 85.3-135.2-129.6 111.0 0.9 29.2 30.8 116 151 A A > - 0 0 24 -2,-0.5 3,-2.1 -3,-0.2 4,-0.4 -0.329 27.2-110.1 -60.8 147.5 -2.1 29.4 33.2 117 152 A P G > S+ 0 0 37 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.861 118.2 56.1 -47.9 -40.9 -4.9 26.9 32.5 118 153 A E G 3 S+ 0 0 150 1,-0.3 -2,-0.0 4,-0.0 4,-0.0 0.684 105.5 52.3 -68.6 -17.9 -7.2 29.7 31.3 119 154 A D G < S+ 0 0 119 -3,-2.1 -1,-0.3 2,-0.1 3,-0.1 0.375 93.4 95.8 -97.7 2.7 -4.7 30.7 28.6 120 155 A R S < S- 0 0 13 -3,-1.6 -4,-0.0 -4,-0.4 72,-0.0 -0.488 88.2 -81.0 -90.9 162.1 -4.3 27.2 27.3 121 156 A P - 0 0 16 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.239 23.8-149.0 -60.0 148.9 -6.2 25.7 24.2 122 157 A T S S+ 0 0 137 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.413 85.0 17.6 -97.6 -3.1 -9.7 24.5 24.7 123 158 A Q S S- 0 0 132 68,-0.1 2,-0.2 0, 0.0 -1,-0.1 -0.965 106.1 -68.3-158.8 161.9 -9.2 21.9 22.0 124 159 A Q - 0 0 71 -2,-0.3 68,-0.2 1,-0.2 67,-0.1 -0.397 43.2-176.1 -60.6 122.5 -6.2 20.2 20.2 125 160 A M + 0 0 85 66,-3.4 2,-0.2 -2,-0.2 -1,-0.2 0.539 61.8 66.8 -99.3 -15.1 -4.6 23.0 18.0 126 161 A N S S- 0 0 16 65,-0.4 67,-0.1 64,-0.2 68,-0.1 -0.577 79.6-130.4 -97.7 172.1 -1.9 20.8 16.3 127 162 A D + 0 0 149 -2,-0.2 66,-0.0 66,-0.2 2,-0.0 0.153 60.1 129.8-110.2 21.2 -2.8 18.1 13.8 128 163 A W - 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0 0 85 -2,-0.3 12,-0.0 1,-0.1 13,-0.0 -0.604 40.3-109.2 -79.9 136.2 29.7 9.9 76.2 547 39 B A - 0 0 23 -2,-0.3 12,-0.1 1,-0.1 2,-0.1 -0.428 33.3-130.7 -65.9 132.3 30.9 13.4 75.6 548 40 B P - 0 0 32 0, 0.0 9,-0.4 0, 0.0 -541,-0.1 -0.425 27.0 -96.4 -80.8 162.1 31.5 14.3 72.0 549 41 B G - 0 0 16 -543,-0.2 89,-0.4 -2,-0.1 -543,-0.4 -0.300 38.8-112.3 -72.2 161.8 34.6 16.0 70.7 550 42 B A - 0 0 28 -543,-0.2 -543,-0.4 -544,-0.1 6,-0.1 -0.846 29.7-148.6 -99.8 129.5 34.7 19.7 70.2 551 43 B P > - 0 0 9 0, 0.0 3,-1.9 0, 0.0 -545,-0.1 -0.087 48.0 -39.2 -81.1-168.2 34.9 21.1 66.6 552 44 B E T 3 S+ 0 0 105 -538,-0.4 3,-0.1 1,-0.3 -548,-0.1 -0.255 128.7 7.1 -58.3 129.6 36.6 24.3 65.4 553 45 B G T 3 S+ 0 0 84 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.573 107.0 108.3 74.4 11.8 36.1 27.3 67.7 554 46 B V < - 0 0 23 -3,-1.9 2,-0.3 45,-0.0 -1,-0.2 -0.944 63.6-131.2-125.2 143.5 34.5 25.2 70.5 555 47 B T - 0 0 103 -2,-0.4 2,-0.2 -3,-0.1 81,-0.1 -0.699 28.2-124.0 -89.4 142.4 35.8 24.2 73.9 556 48 B A - 0 0 60 -2,-0.3 2,-0.3 -6,-0.1 -7,-0.1 -0.529 14.4-144.0 -88.7 151.2 35.4 20.5 74.9 557 49 B L - 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0 0 3 -4,-1.6 3,-1.1 -5,-0.3 -3,-0.1 0.218 20.7 -92.1 89.6 148.4 12.9 19.5 72.0 579 71 B V T 3 S+ 0 0 2 1,-0.3 61,-0.1 -5,-0.1 -1,-0.1 0.873 130.7 41.4 -61.5 -36.2 14.9 16.3 72.6 580 72 B L T 3 S- 0 0 34 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.309 114.2-117.1 -94.2 4.4 16.8 16.9 69.3 581 73 B R S < S+ 0 0 2 -3,-1.1 8,-2.7 -7,-0.1 9,-0.5 0.672 79.6 127.9 66.1 20.2 17.1 20.7 69.9 582 74 B K S S- 0 0 101 6,-0.2 6,-0.3 1,-0.2 -4,-0.2 0.527 71.3-109.7 -82.5 -8.3 15.0 21.2 66.8 583 75 B G + 0 0 10 -6,-2.6 -6,-0.2 4,-0.3 4,-0.2 0.171 45.6 171.9 93.6 148.1 12.6 23.4 68.7 584 76 B A S S- 0 0 18 2,-1.7 -7,-0.2 -8,-1.0 -8,-0.1 -0.002 87.0 -7.4-149.5 -91.5 9.0 23.2 69.9 585 77 B T S S+ 0 0 83 -9,-1.1 -8,-0.2 -10,-0.3 2,-0.2 0.885 137.3 49.4 -82.0 -43.6 7.7 26.1 72.1 586 78 B G S S- 0 0 20 -10,-2.8 -2,-1.7 1,-0.2 3,-0.1 -0.465 102.9 -84.4 -91.0 166.6 11.3 27.4 72.3 587 79 B K - 0 0 175 -4,-0.2 -4,-0.3 -2,-0.2 2,-0.2 -0.041 51.9 -86.7 -63.5 167.9 13.6 28.1 69.4 588 80 B A - 0 0 34 -6,-0.3 -6,-0.2 -5,-0.1 -1,-0.1 -0.538 33.8-167.8 -76.0 142.9 15.9 25.5 67.8 589 81 B L + 0 0 26 -8,-2.7 -7,-0.2 -12,-0.3 -1,-0.1 -0.110 31.2 146.6-124.4 34.3 19.3 25.2 69.6 590 82 B T >> - 0 0 15 -9,-0.5 4,-2.3 1,-0.1 3,-1.8 -0.444 61.6-108.3 -73.8 148.7 21.1 23.1 67.0 591 83 B P H 3> S+ 0 0 11 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.786 116.0 61.8 -43.1 -43.8 25.0 23.6 66.5 592 84 B D H 34 S+ 0 0 74 1,-0.2 4,-0.3 2,-0.2 -588,-0.1 0.875 115.6 33.2 -56.0 -36.4 24.6 25.3 63.2 593 85 B L H <> S+ 0 0 79 -3,-1.8 4,-1.2 2,-0.1 3,-0.4 0.904 119.4 48.4 -86.7 -45.9 22.6 28.1 64.9 594 86 B T H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.872 104.9 57.5 -65.5 -40.2 24.2 28.2 68.3 595 87 B R H < S+ 0 0 44 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.803 106.3 51.8 -62.3 -27.4 27.8 28.3 67.1 596 88 B D H 4 S+ 0 0 141 -3,-0.4 -1,-0.2 -4,-0.3 -2,-0.2 0.849 109.8 49.0 -76.0 -34.8 26.9 31.5 65.1 597 89 B L H < S- 0 0 80 -4,-1.2 4,-0.5 -3,-0.2 -2,-0.2 0.877 105.3-147.9 -71.3 -39.0 25.5 33.1 68.2 598 90 B G X - 0 0 24 -4,-2.5 4,-1.8 1,-0.1 3,-0.2 0.142 24.9 -72.2 87.7 157.6 28.6 32.2 70.3 599 91 B F H > S+ 0 0 60 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.867 125.2 53.1 -52.6 -49.5 29.2 31.4 73.9 600 92 B D H > S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.906 108.1 50.0 -58.8 -42.4 28.6 34.9 75.4 601 93 B Y H > S+ 0 0 109 -4,-0.5 4,-2.2 -3,-0.2 -1,-0.2 0.934 115.1 44.2 -60.5 -48.6 25.2 35.2 73.8 602 94 B L H X S+ 0 0 8 -4,-1.8 4,-2.7 2,-0.2 5,-0.3 0.936 110.9 54.0 -61.6 -49.8 24.1 31.8 75.1 603 95 B Q H X S+ 0 0 59 -4,-3.1 4,-1.9 1,-0.2 -2,-0.2 0.912 112.0 44.8 -52.1 -47.7 25.6 32.5 78.6 604 96 B S H X S+ 0 0 49 -4,-2.4 4,-3.1 -5,-0.2 5,-0.4 0.912 112.5 50.2 -66.3 -43.7 23.6 35.7 78.9 605 97 B F H X S+ 0 0 71 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.907 112.3 46.4 -62.2 -44.6 20.3 34.3 77.6 606 98 B I H < S+ 0 0 14 -4,-2.7 12,-1.3 2,-0.2 11,-0.6 0.902 116.9 47.5 -65.2 -37.9 20.4 31.3 79.9 607 99 B T H < S+ 0 0 30 -4,-1.9 12,-2.4 -5,-0.3 11,-0.6 0.972 125.8 22.4 -66.9 -56.6 21.3 33.7 82.8 608 100 B Y H < S- 0 0 159 -4,-3.1 8,-0.2 1,-0.2 -3,-0.2 0.609 90.3-153.5 -91.4 -16.6 18.7 36.5 82.3 609 101 B A < - 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