==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 23-MAR-01 1H9Y . COMPND 2 MOLECULE: CYTOCHROME CD1 NITRITE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PARACOCCUS PANTOTROPHUS; . AUTHOR T.SJOGREN,J.HAJDU . 1039 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38113.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 716 68.9 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 . 336 32.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 2.5 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 . 104 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.7 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 5 4 0 3 0 0 2 0 1 0 2 0 0 0 1 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 . 4 6 0 12 22 12 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 48 A A 0 0 161 0, 0.0 2,-0.3 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 110.4 112.2 20.4 201.2 2 49 A L - 0 0 41 1,-0.1 73,-0.0 76,-0.1 5,-0.0 -0.758 360.0-113.9 -94.1 139.0 114.5 23.0 202.7 3 50 A S > - 0 0 57 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.083 26.7-109.9 -69.7 168.3 116.5 22.6 206.0 4 51 A D H > S+ 0 0 138 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.933 119.4 47.1 -61.9 -47.5 115.8 24.7 209.1 5 52 A A H > S+ 0 0 69 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.945 113.8 47.4 -59.6 -50.7 119.1 26.6 208.7 6 53 A Q H > S+ 0 0 81 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.897 113.6 49.3 -56.7 -44.0 118.5 27.2 205.0 7 54 A Y H X S+ 0 0 59 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.913 110.2 48.6 -64.6 -44.6 115.0 28.3 205.8 8 55 A N H X S+ 0 0 101 -4,-2.8 4,-2.5 2,-0.2 5,-0.2 0.959 113.1 50.3 -60.3 -46.2 116.1 30.7 208.6 9 56 A E H X S+ 0 0 70 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.939 110.8 47.5 -54.8 -50.8 118.7 32.1 206.2 10 57 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.872 112.1 51.3 -61.6 -38.4 116.1 32.6 203.5 11 58 A N H X S+ 0 0 35 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.890 108.2 49.8 -65.2 -44.5 113.7 34.3 205.9 12 59 A K H X S+ 0 0 133 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.968 114.3 46.0 -61.2 -49.4 116.3 36.7 207.2 13 60 A I H X>S+ 0 0 16 -4,-2.4 4,-3.5 -5,-0.2 5,-0.7 0.928 112.1 52.5 -59.3 -48.1 117.2 37.6 203.6 14 61 A Y H X>S+ 0 0 0 -4,-2.6 5,-2.6 -5,-0.2 4,-2.0 0.935 116.4 36.4 -54.6 -52.7 113.5 37.9 202.7 15 62 A F H <5S+ 0 0 14 -4,-2.6 -1,-0.2 3,-0.2 -2,-0.2 0.780 123.1 44.3 -72.4 -28.1 112.6 40.3 205.6 16 63 A E H <5S+ 0 0 82 -4,-2.5 -2,-0.2 -5,-0.3 -3,-0.2 0.900 132.4 13.9 -83.7 -42.1 115.9 42.2 205.4 17 64 A R H <5S+ 0 0 99 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.2 0.621 130.4 33.9-115.7 -10.4 116.2 42.6 201.6 18 65 A C T >X< - 0 0 6 -4,-3.0 3,-1.2 -5,-0.3 -3,-0.1 0.222 22.7 -93.0 90.6 144.3 105.6 43.3 201.3 24 71 A V T 3 S+ 0 0 11 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.761 130.5 39.6 -67.9 -20.2 106.0 41.5 204.6 25 72 A L T 3 S- 0 0 59 -6,-0.1 -1,-0.3 3,-0.1 -2,-0.1 0.226 117.6-114.4-109.6 11.3 103.3 38.9 203.7 26 73 A R S < S+ 0 0 2 -3,-1.2 8,-3.0 1,-0.1 9,-0.4 0.783 79.6 127.8 61.3 34.1 104.6 38.9 200.1 27 74 A K S S- 0 0 153 6,-0.3 6,-0.4 1,-0.2 -4,-0.2 0.494 71.6-105.8 -95.0 -4.1 101.4 40.4 198.7 28 75 A G - 0 0 31 -6,-2.6 -1,-0.2 4,-0.3 -6,-0.2 -0.006 39.7-175.9 98.8 155.2 103.4 43.1 196.9 29 76 A A S S- 0 0 50 2,-1.7 -7,-0.1 -8,-1.0 -8,-0.1 -0.056 89.6 -21.4-144.3-100.5 104.1 46.9 197.1 30 77 A T S S+ 0 0 63 -9,-0.4 2,-0.2 -10,-0.2 -8,-0.1 0.776 138.0 63.5 -87.5 -27.4 106.1 48.3 194.3 31 78 A G S S- 0 0 18 -10,-2.7 -2,-1.7 1,-0.1 3,-0.1 -0.498 102.0 -90.2 -88.5 161.4 107.3 44.8 193.6 32 79 A K - 0 0 163 -4,-0.2 -4,-0.3 -2,-0.2 -1,-0.1 -0.227 45.4 -88.8 -73.0 160.9 104.9 42.0 192.6 33 80 A A - 0 0 28 -6,-0.4 -6,-0.3 1,-0.1 -1,-0.1 -0.414 35.7-170.2 -62.0 142.3 103.1 39.6 194.9 34 81 A L + 0 0 24 -8,-3.0 -7,-0.2 -12,-0.3 -1,-0.1 -0.129 32.0 142.4-130.1 30.2 105.2 36.6 195.6 35 82 A T >> - 0 0 25 -9,-0.4 3,-2.2 1,-0.1 4,-1.8 -0.468 66.0-107.3 -72.0 148.1 102.6 34.4 197.3 36 83 A P H 3> S+ 0 0 12 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.702 113.5 69.1 -55.3 -22.9 102.8 30.7 196.5 37 84 A D H 34 S+ 0 0 108 1,-0.2 4,-0.2 2,-0.2 44,-0.0 0.778 112.7 31.5 -67.6 -27.1 99.7 30.7 194.3 38 85 A L H <> S+ 0 0 84 -3,-2.2 4,-1.3 2,-0.1 -1,-0.2 0.820 119.5 51.0 -93.5 -44.0 101.6 32.8 191.7 39 86 A T H X S+ 0 0 0 -4,-1.8 4,-2.9 41,-0.2 3,-0.2 0.869 101.6 58.2 -67.6 -38.9 105.2 31.6 192.2 40 87 A R H < S+ 0 0 164 -4,-2.1 -1,-0.2 1,-0.2 -3,-0.1 0.898 108.3 49.7 -61.6 -35.0 104.5 27.8 191.9 41 88 A D H 4 S+ 0 0 149 -5,-0.3 -1,-0.2 -4,-0.2 -2,-0.2 0.830 111.0 47.9 -67.4 -36.2 103.1 28.5 188.5 42 89 A L H < S- 0 0 74 -4,-1.3 4,-0.5 -3,-0.2 -2,-0.2 0.912 105.3-154.5 -70.8 -41.5 106.1 30.5 187.5 43 90 A G X - 0 0 22 -4,-2.9 4,-2.1 3,-0.1 3,-0.3 0.174 27.1 -67.5 85.3 158.8 108.4 27.8 188.8 44 91 A F H > S+ 0 0 59 1,-0.2 4,-3.1 2,-0.2 3,-0.4 0.906 126.7 50.5 -44.7 -65.6 112.0 27.6 190.2 45 92 A D H > S+ 0 0 119 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.837 111.5 48.0 -46.1 -47.8 113.8 28.4 186.9 46 93 A Y H > S+ 0 0 103 -4,-0.5 4,-2.2 -3,-0.3 -1,-0.3 0.911 115.0 46.1 -62.2 -44.6 111.7 31.5 186.2 47 94 A L H X S+ 0 0 8 -4,-2.1 4,-2.4 -3,-0.4 -2,-0.2 0.892 112.5 50.9 -66.7 -38.2 112.2 32.7 189.8 48 95 A Q H X S+ 0 0 60 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.908 111.1 47.6 -68.1 -39.0 116.0 32.0 189.7 49 96 A S H X S+ 0 0 58 -4,-2.4 4,-2.8 -5,-0.3 5,-0.4 0.966 113.2 48.5 -67.0 -48.5 116.4 33.9 186.5 50 97 A F H X S+ 0 0 74 -4,-2.2 4,-2.1 -5,-0.2 -2,-0.2 0.899 113.8 44.9 -57.6 -45.6 114.4 36.9 187.8 51 98 A I H < S+ 0 0 12 -4,-2.4 12,-1.2 2,-0.2 11,-0.7 0.883 115.6 49.8 -67.9 -38.5 116.3 37.0 191.1 52 99 A T H < S+ 0 0 29 -4,-2.4 12,-2.5 10,-0.2 13,-0.3 0.937 127.9 17.9 -63.5 -53.8 119.7 36.6 189.3 53 100 A Y H < S- 0 0 154 -4,-2.8 8,-0.2 1,-0.2 -3,-0.2 0.575 89.5-158.6-102.1 -12.8 119.2 39.3 186.6 54 101 A G < - 0 0 12 -4,-2.1 -1,-0.2 -5,-0.4 7,-0.2 -0.174 23.1 -93.6 64.9-159.3 116.4 41.5 188.0 55 102 A S B >> -A 59 0A 34 4,-2.7 3,-1.6 -4,-0.1 4,-1.0 -0.991 15.7-117.3-153.0 152.8 114.4 43.7 185.7 56 103 A P T 34 S+ 0 0 66 0, 0.0 422,-0.8 0, 0.0 423,-0.4 0.534 104.0 79.4 -69.7 -3.2 114.6 47.3 184.4 57 104 A A T 34 S- 0 0 84 420,-0.1 -3,-0.0 2,-0.1 0, 0.0 0.462 128.5 -76.2 -83.8 1.6 111.1 47.9 186.0 58 105 A G T <4 S+ 0 0 28 -3,-1.6 93,-0.1 1,-0.3 -28,-0.1 0.447 91.4 129.4 122.9 3.2 112.9 48.2 189.5 59 106 A M B < -A 55 0A 38 -4,-1.0 -4,-2.7 1,-0.0 -1,-0.3 -0.823 58.1-124.1 -92.4 116.7 113.7 44.7 190.5 60 107 A P - 0 0 19 0, 0.0 2,-1.4 0, 0.0 -6,-0.2 -0.123 13.5-119.4 -56.0 152.7 117.4 44.5 191.5 61 108 A N > + 0 0 47 -8,-0.2 4,-2.0 1,-0.2 6,-0.3 -0.620 39.2 176.3 -91.8 75.0 119.8 42.0 189.9 62 109 A W T 4>S+ 0 0 15 -2,-1.4 6,-2.0 -11,-0.7 5,-1.0 0.874 74.7 36.1 -49.3 -51.6 120.6 40.2 193.1 63 110 A G T >45S+ 0 0 23 -12,-1.2 3,-1.7 1,-0.2 -1,-0.2 0.963 119.2 46.9 -70.1 -50.7 122.8 37.5 191.6 64 111 A T T 345S+ 0 0 87 -12,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.687 111.8 52.2 -67.9 -20.3 124.5 39.6 188.9 65 112 A S T 3<5S- 0 0 40 -4,-2.0 -1,-0.3 -13,-0.3 -2,-0.2 0.505 108.1-126.4 -92.1 -6.0 125.2 42.4 191.4 66 113 A G T < 5S+ 0 0 59 -3,-1.7 -3,-0.2 2,-0.3 -2,-0.1 0.563 78.6 119.4 71.7 8.7 126.9 39.9 193.8 67 114 A E S - 0 0 52 -2,-0.4 4,-2.8 1,-0.1 5,-0.2 -0.347 32.2-100.5 -79.1 173.0 125.5 34.5 196.0 70 117 A A H > S+ 0 0 78 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.897 127.4 52.1 -62.4 -39.2 124.4 31.8 193.6 71 118 A E H > S+ 0 0 141 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.956 110.9 48.0 -58.5 -49.7 123.6 29.6 196.7 72 119 A Q H > S+ 0 0 51 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.884 108.0 53.9 -61.7 -41.7 121.5 32.5 198.1 73 120 A V H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.926 113.1 42.7 -58.6 -46.2 119.7 33.1 194.8 74 121 A D H X S+ 0 0 58 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.893 112.5 55.5 -67.5 -34.5 118.6 29.4 194.7 75 122 A L H X S+ 0 0 11 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.923 110.5 44.1 -61.6 -45.0 117.8 29.7 198.4 76 123 A M H X S+ 0 0 5 -4,-3.1 4,-1.8 1,-0.2 -2,-0.2 0.855 110.0 55.6 -69.8 -36.3 115.5 32.6 197.7 77 124 A A H < S+ 0 0 0 -4,-2.3 4,-0.5 -5,-0.2 -2,-0.2 0.895 111.2 43.7 -65.5 -39.6 113.9 30.9 194.6 78 125 A N H >< S+ 0 0 59 -4,-2.1 3,-1.2 1,-0.2 4,-0.5 0.887 110.2 56.8 -69.4 -39.0 112.9 27.8 196.7 79 126 A Y H >< S+ 0 0 1 -4,-1.9 3,-1.3 1,-0.3 -2,-0.2 0.878 101.3 56.9 -59.1 -39.5 111.7 30.0 199.6 80 127 A L T 3< S+ 0 0 11 -4,-1.8 -1,-0.3 1,-0.3 -41,-0.2 0.672 99.7 58.7 -67.9 -18.9 109.3 31.8 197.3 81 128 A L T < S+ 0 0 37 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.553 98.0 80.9 -82.3 -14.8 107.6 28.5 196.4 82 129 A L S < S- 0 0 66 -3,-1.3 3,-0.1 -4,-0.5 -43,-0.1 -0.513 97.6 -84.1 -89.8 161.1 106.9 27.9 200.1 83 130 A D - 0 0 117 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.1 -0.355 60.9 -86.5 -63.8 140.5 104.0 29.4 202.1 84 131 A P - 0 0 47 0, 0.0 -1,-0.1 0, 0.0 -59,-0.1 -0.209 43.9-126.3 -51.6 130.5 104.7 32.9 203.5 85 132 A A - 0 0 13 1,-0.1 -3,-0.0 -3,-0.1 0, 0.0 -0.334 34.3 -88.5 -73.8 162.0 106.5 33.0 206.8 86 133 A A - 0 0 82 1,-0.1 -1,-0.1 -2,-0.1 -61,-0.1 -0.563 49.4-109.8 -70.7 122.6 105.1 34.9 209.8 87 134 A P - 0 0 33 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.318 38.8-131.0 -55.8 130.8 106.3 38.6 209.7 88 135 A P - 0 0 49 0, 0.0 105,-0.1 0, 0.0 2,-0.1 -0.363 10.2-111.4 -86.0 165.1 108.8 39.2 212.5 89 136 A E - 0 0 56 -2,-0.1 2,-0.1 678,-0.1 103,-0.1 -0.371 19.1-150.8 -82.6 169.4 109.1 42.0 215.1 90 137 A F + 0 0 29 -2,-0.1 103,-0.0 101,-0.1 676,-0.0 -0.620 30.8 159.1-149.9 79.4 112.0 44.5 214.9 91 138 A G > - 0 0 0 -2,-0.1 4,-2.2 676,-0.1 675,-0.2 0.076 57.3 -65.5 -89.5-161.0 112.9 45.8 218.4 92 139 A M H > S+ 0 0 20 673,-2.2 4,-3.0 672,-0.4 5,-0.2 0.857 127.5 53.6 -59.2 -44.6 115.9 47.4 220.0 93 140 A K H > S+ 0 0 148 671,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.912 112.2 43.9 -60.9 -45.5 118.2 44.4 219.6 94 141 A E H > S+ 0 0 54 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.865 115.0 50.0 -68.6 -36.1 117.6 44.2 215.9 95 142 A M H X S+ 0 0 0 -4,-2.2 4,-1.2 2,-0.2 95,-0.4 0.936 110.8 48.3 -68.3 -43.9 117.9 47.9 215.4 96 143 A R H < S+ 0 0 107 -4,-3.0 3,-0.3 1,-0.2 -2,-0.2 0.882 106.3 57.7 -64.9 -35.0 121.1 48.2 217.4 97 144 A E H < S+ 0 0 120 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.835 112.7 40.5 -64.5 -33.0 122.6 45.3 215.3 98 145 A S H < S+ 0 0 26 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.672 92.6 110.7 -87.1 -17.0 122.0 47.3 212.1 99 146 A W < + 0 0 57 -4,-1.2 2,-0.4 -3,-0.3 90,-0.2 -0.359 43.4 174.5 -65.3 128.9 123.1 50.5 213.8 100 147 A K E -B 188 0B 106 88,-2.9 88,-2.6 -2,-0.2 2,-0.7 -0.929 22.6-164.1-142.0 119.2 126.4 51.8 212.4 101 148 A V E +B 187 0B 56 -2,-0.4 86,-0.3 86,-0.2 3,-0.3 -0.899 10.8 178.5-100.8 107.9 128.2 55.1 213.1 102 149 A H S S+ 0 0 103 84,-2.2 2,-0.4 -2,-0.7 85,-0.2 0.783 77.0 25.8 -79.5 -35.1 130.8 55.5 210.3 103 150 A V S S- 0 0 37 83,-2.1 -1,-0.3 125,-0.0 5,-0.1 -0.874 85.2-137.3-133.7 100.5 132.1 58.9 211.5 104 151 A A > - 0 0 41 -2,-0.4 3,-1.3 -3,-0.3 4,-0.2 -0.174 26.0-113.6 -53.0 150.7 131.7 59.6 215.2 105 152 A P G > S+ 0 0 48 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.854 115.4 59.5 -57.7 -37.9 130.5 63.1 215.9 106 153 A E G 3 S+ 0 0 188 1,-0.3 -2,-0.1 4,-0.0 4,-0.0 0.697 106.3 50.6 -64.6 -20.1 133.8 64.1 217.7 107 154 A D G < S+ 0 0 122 -3,-1.3 -1,-0.3 2,-0.1 -3,-0.1 0.374 93.6 94.0 -98.6 1.3 135.6 63.2 214.4 108 155 A R S < S- 0 0 12 -3,-1.6 -4,-0.0 -4,-0.2 72,-0.0 -0.506 87.7 -78.7 -91.9 167.1 133.4 65.3 212.1 109 156 A P - 0 0 15 0, 0.0 -1,-0.2 0, 0.0 70,-0.1 -0.201 24.0-150.6 -59.1 150.3 133.9 68.8 210.9 110 157 A T S S+ 0 0 126 1,-0.1 2,-0.3 -3,-0.1 -2,-0.0 0.472 84.8 23.4-101.5 -3.6 133.1 71.7 213.2 111 158 A Q S S- 0 0 131 68,-0.1 2,-0.3 0, 0.0 -1,-0.1 -0.974 106.8 -70.9-154.8 159.0 132.3 73.9 210.2 112 159 A Q - 0 0 69 -2,-0.3 68,-0.2 1,-0.2 67,-0.1 -0.419 45.0-173.8 -53.3 115.0 131.3 73.5 206.6 113 160 A E + 0 0 85 66,-3.5 2,-0.3 -2,-0.3 -1,-0.2 0.281 58.0 71.5-101.0 13.6 134.4 72.1 205.0 114 161 A N S S- 0 0 19 65,-0.2 67,-0.1 64,-0.2 68,-0.1 -0.773 80.7-124.8-118.5 168.4 133.2 72.2 201.4 115 162 A D + 0 0 135 -2,-0.3 66,-0.0 66,-0.2 -3,-0.0 0.328 68.4 124.1 -91.3 1.4 132.6 75.1 199.0 116 163 A W - 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0 0 14 -355,-0.3 -383,-3.0 -384,-0.1 -1,-0.5 -0.270 61.6-165.2 -62.8 137.7 111.0 63.3 194.9 509 556 A K E -G 124 0C 0 -385,-0.2 2,-0.5 -3,-0.1 -385,-0.2 -0.995 2.8-168.8-128.2 128.8 113.1 66.4 195.1 510 557 A F E -G 123 0C 9 -387,-1.8 -387,-2.6 -2,-0.4 2,-0.4 -0.961 13.7-146.2-126.5 113.2 113.8 68.3 198.3 511 558 A N E > -G 122 0C 0 -2,-0.5 4,-2.4 -389,-0.2 5,-0.3 -0.630 20.0-133.4 -75.4 131.1 115.5 71.7 198.5 512 559 A V H > S+ 0 0 2 -391,-2.6 4,-2.7 -2,-0.4 5,-0.2 0.930 101.5 40.4 -51.1 -57.6 117.6 71.9 201.7 513 560 A Y H > S+ 0 0 76 -394,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.887 116.7 47.8 -61.7 -44.8 116.3 75.3 202.9 514 561 A N H 4>S+ 0 0 2 -395,-0.3 5,-2.2 -51,-0.2 4,-0.3 0.801 116.2 45.1 -67.6 -30.9 112.7 74.8 202.0 515 562 A T H ><5S+ 0 0 0 -4,-2.4 3,-0.5 3,-0.2 -2,-0.2 0.897 112.5 50.2 -78.5 -42.8 112.6 71.3 203.7 516 563 A M H 3<5S+ 0 0 23 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.810 120.6 34.7 -67.7 -29.4 114.5 72.5 206.8 517 564 A T T 3<5S- 0 0 33 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.382 106.6-121.0-103.7 0.6 112.2 75.5 207.4 518 565 A D T < 5 + 0 0 3 -3,-0.5 2,-0.8 -4,-0.3 -3,-0.2 0.921 45.9 174.9 57.0 52.7 109.0 73.8 206.1 519 566 A T < 0 0 25 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.734 360.0 360.0 -93.2 105.6 108.5 76.5 203.4 520 567 A Y 0 0 10 -2,-0.8 -174,-0.2 -218,-0.1 -119,-0.2 -0.942 360.0 360.0-167.2 360.0 105.5 75.5 201.3 521 !* 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 0.0 522 49 B L 0 0 75 0, 0.0 73,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 145.6 82.7 18.8 217.5 523 50 B S > - 0 0 62 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.226 360.0 -93.7 -69.5 174.7 81.4 20.2 214.1 524 51 B D H > S+ 0 0 147 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.883 128.1 44.2 -58.5 -41.9 82.5 23.7 213.2 525 52 B A H > S+ 0 0 69 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.819 110.0 54.7 -73.6 -32.2 79.5 25.3 214.7 526 53 B Q H > S+ 0 0 70 1,-0.2 4,-2.9 2,-0.2 3,-0.3 0.956 107.2 50.6 -66.5 -44.4 79.6 23.2 217.9 527 54 B Y H X S+ 0 0 62 -4,-2.3 4,-3.3 1,-0.2 -1,-0.2 0.816 107.0 56.4 -58.8 -36.3 83.2 24.2 218.6 528 55 B N H X S+ 0 0 101 -4,-1.1 4,-2.0 -5,-0.2 -1,-0.2 0.875 109.1 43.6 -65.6 -41.5 82.1 27.8 218.1 529 56 B E H X S+ 0 0 79 -4,-1.6 4,-3.0 -3,-0.3 5,-0.3 0.957 116.4 49.1 -67.6 -46.2 79.4 27.6 220.8 530 57 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.941 113.9 45.5 -53.8 -52.3 82.0 25.7 223.0 531 58 B N H X S+ 0 0 32 -4,-3.3 4,-2.0 2,-0.2 -1,-0.2 0.846 112.9 50.8 -59.6 -38.4 84.6 28.4 222.3 532 59 B K H X S+ 0 0 111 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.921 111.8 46.5 -67.5 -46.0 82.1 31.2 223.0 533 60 B I H X S+ 0 0 8 -4,-3.0 4,-2.7 2,-0.2 5,-0.3 0.891 110.5 54.9 -64.9 -39.4 81.0 29.7 226.3 534 61 B Y H X>S+ 0 0 1 -4,-2.5 4,-3.1 -5,-0.3 5,-2.0 0.984 110.3 43.0 -58.4 -61.3 84.6 29.1 227.3 535 62 B F H <5S+ 0 0 10 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.839 121.9 39.5 -56.8 -35.6 85.8 32.8 226.8 536 63 B E H <5S+ 0 0 76 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.755 132.9 18.7 -81.7 -36.3 82.7 34.3 228.4 537 64 B R H <5S+ 0 0 99 -4,-2.7 -3,-0.2 -3,-0.3 -2,-0.2 0.430 130.6 29.7-122.4 0.1 82.2 31.8 231.3 538 65 B C T >X5S+ 0 0 23 -4,-3.1 4,-2.6 -5,-0.3 3,-1.6 0.675 97.8 71.5-126.9 -37.3 85.4 29.9 231.9 539 66 B A H 3>< - 0 0 6 -4,-1.9 3,-1.1 -5,-0.4 -1,-0.1 0.062 23.0 -85.5 90.5 158.3 92.7 31.5 231.8 544 71 B V T 3 S+ 0 0 17 1,-0.3 -1,-0.1 -5,-0.1 -5,-0.1 0.781 130.7 39.1 -71.8 -27.7 92.5 32.5 228.1 545 72 B L T 3 S- 0 0 51 -6,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 -0.254 115.8-111.0-112.4 34.2 95.1 29.8 227.2 546 73 B R S < S+ 0 0 2 -3,-1.1 8,-2.4 1,-0.2 9,-0.4 0.658 80.4 130.6 41.4 32.1 93.7 27.2 229.6 547 74 B K - 0 0 144 6,-0.2 6,-0.3 1,-0.2 -4,-0.2 0.587 68.9-117.1 -87.7 -2.4 96.8 27.5 231.7 548 75 B G - 0 0 27 -6,-3.2 -6,-0.2 4,-0.3 4,-0.2 0.178 39.6-179.9 83.8 149.4 94.7 27.9 234.8 549 76 B A S S- 0 0 53 2,-2.0 -7,-0.1 -8,-1.1 -8,-0.1 -0.108 85.5 -12.7-142.8 -99.6 94.5 30.8 237.2 550 77 B T S S+ 0 0 57 -10,-0.3 -8,-0.2 -9,-0.3 2,-0.1 0.911 139.5 56.3 -79.4 -38.6 92.1 30.3 240.2 551 78 B G S S- 0 0 16 -10,-3.1 -2,-2.0 -13,-0.1 3,-0.1 -0.445 104.4 -90.1 -85.1 163.4 90.8 27.3 238.3 552 79 B K - 0 0 173 -4,-0.2 -4,-0.3 1,-0.1 -1,-0.1 -0.241 48.1 -81.5 -74.7 159.6 93.1 24.5 237.2 553 80 B A - 0 0 34 -6,-0.3 -6,-0.2 1,-0.1 -1,-0.1 -0.346 39.3-171.9 -59.6 129.9 95.0 24.1 234.0 554 81 B L + 0 0 29 -8,-2.4 -7,-0.1 -12,-0.3 -1,-0.1 -0.147 35.4 136.7-118.9 31.3 92.6 22.7 231.4 555 82 B T > - 0 0 23 -9,-0.4 4,-3.0 1,-0.1 3,-0.2 -0.385 68.7-105.5 -74.2 160.1 95.2 22.1 228.7 556 83 B P H > S+ 0 0 13 0, 0.0 4,-3.5 0, 0.0 5,-0.4 0.888 112.8 67.4 -57.2 -42.3 95.2 18.8 226.7 557 84 B D H > S+ 0 0 102 1,-0.2 4,-0.9 2,-0.2 3,-0.1 0.923 117.0 25.8 -40.7 -63.4 98.2 17.3 228.4 558 85 B L H > S+ 0 0 78 -3,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.916 120.6 60.7 -69.2 -43.4 96.2 17.0 231.6 559 86 B T H X S+ 0 0 1 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.781 98.6 52.8 -60.3 -37.9 92.8 16.8 229.8 560 87 B R H < S+ 0 0 140 -4,-3.5 -1,-0.2 1,-0.2 -2,-0.1 0.978 111.2 47.6 -65.6 -47.9 93.4 13.7 227.7 561 88 B D H < S+ 0 0 141 -4,-0.9 -2,-0.2 -5,-0.4 -1,-0.2 0.809 111.3 49.3 -61.4 -34.6 94.4 11.6 230.8 562 89 B L H X S- 0 0 80 -4,-1.7 4,-0.7 3,-0.0 -1,-0.2 0.931 105.0-160.2 -68.4 -42.4 91.4 12.8 232.8 563 90 B G H X - 0 0 20 -4,-2.0 4,-2.2 -5,-0.2 3,-0.3 0.229 29.9 -64.1 79.8 159.4 89.2 11.9 229.9 564 91 B F H > S+ 0 0 48 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.836 128.4 51.9 -37.0 -63.3 85.8 12.9 228.7 565 92 B D H > S+ 0 0 113 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.909 108.6 48.7 -51.1 -50.3 83.9 11.3 231.6 566 93 B Y H X S+ 0 0 111 -4,-0.7 4,-2.6 -3,-0.3 5,-0.2 0.967 116.1 45.6 -55.9 -50.5 86.0 13.1 234.3 567 94 B L H X S+ 0 0 7 -4,-2.2 4,-2.2 1,-0.2 5,-0.3 0.853 111.4 50.7 -62.2 -39.6 85.5 16.4 232.5 568 95 B Q H X S+ 0 0 63 -4,-3.1 4,-1.9 -5,-0.2 -1,-0.2 0.946 113.2 46.7 -63.9 -44.0 81.8 15.9 231.9 569 96 B S H X S+ 0 0 51 -4,-2.6 4,-3.3 -5,-0.2 5,-0.4 0.923 111.9 49.8 -62.6 -43.2 81.3 15.1 235.6 570 97 B F H X S+ 0 0 69 -4,-2.6 4,-2.8 1,-0.2 12,-0.2 0.924 111.3 47.6 -65.7 -40.2 83.3 18.0 236.9 571 98 B I H < S+ 0 0 13 -4,-2.2 12,-1.3 -5,-0.2 11,-0.8 0.871 117.0 46.3 -70.0 -30.9 81.5 20.6 234.7 572 99 B T H < S+ 0 0 23 -4,-1.9 12,-2.2 -5,-0.3 13,-0.3 0.951 127.0 22.9 -73.4 -51.0 78.2 19.1 235.9 573 100 B Y H < S- 0 0 155 -4,-3.3 -3,-0.2 1,-0.2 -2,-0.2 0.763 84.1-167.0 -93.6 -27.3 78.9 18.8 239.6 574 101 B G < - 0 0 12 -4,-2.8 -1,-0.2 -5,-0.4 7,-0.1 -0.348 22.2-105.9 70.8-158.6 81.6 21.4 240.3 575 102 B S B >> -H 579 0L 30 4,-2.3 3,-1.8 -2,-0.1 4,-0.8 -0.967 16.8-106.4-166.3 157.9 83.3 21.2 243.7 576 103 B P T 34 S+ 0 0 73 0, 0.0 422,-0.8 0, 0.0 423,-0.2 0.626 107.8 78.5 -68.0 -10.6 83.5 23.0 247.0 577 104 B A T 34 S- 0 0 82 420,-0.1 -3,-0.0 421,-0.1 0, 0.0 0.483 126.7 -82.8 -74.6 -4.7 86.9 24.4 246.0 578 105 B G T <4 S+ 0 0 25 -3,-1.8 93,-0.1 1,-0.3 -1,-0.1 0.490 86.5 132.5 118.7 3.1 85.1 27.0 243.8 579 106 B M B < -H 575 0L 36 -4,-0.8 -4,-2.3 1,-0.0 -1,-0.3 -0.813 57.7-121.4 -90.1 118.0 84.2 25.3 240.5 580 107 B P - 0 0 20 0, 0.0 2,-1.5 0, 0.0 3,-0.2 -0.191 12.2-119.8 -55.0 150.9 80.6 26.0 239.7 581 108 B N > + 0 0 53 1,-0.2 4,-2.5 -8,-0.2 6,-0.4 -0.606 41.1 171.7 -93.2 76.0 78.1 23.2 239.2 582 109 B W H > S+ 0 0 21 -2,-1.5 6,-2.0 -11,-0.8 4,-0.5 0.887 73.5 42.9 -53.8 -45.7 77.2 24.2 235.7 583 110 B G H >4 S+ 0 0 20 -12,-1.3 3,-1.1 -3,-0.2 -1,-0.2 0.984 118.7 39.7 -67.4 -58.6 75.1 21.1 235.0 584 111 B T H 34 S+ 0 0 82 -12,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.721 111.8 56.2 -70.4 -18.4 73.1 20.9 238.2 585 112 B S H 3< S- 0 0 44 -4,-2.5 -1,-0.3 -13,-0.3 -2,-0.2 0.679 107.7-126.5 -80.9 -19.2 72.6 24.6 238.6 586 113 B G S << S+ 0 0 55 -3,-1.1 -3,-0.1 -4,-0.5 -2,-0.1 0.395 75.7 126.6 88.7 0.8 71.0 24.5 235.1 587 114 B E S S+ 0 0 79 -5,-0.4 2,-0.4 -6,-0.4 -4,-0.2 0.828 81.2 26.8 -58.5 -39.3 73.5 27.3 234.1 588 115 B L S S- 0 0 4 -6,-2.0 -2,-0.3 -7,-0.1 -1,-0.2 -0.999 97.6-128.2-121.0 124.0 74.6 25.1 231.2 589 116 B S >> - 0 0 74 -2,-0.4 3,-1.8 -4,-0.1 4,-1.2 -0.155 39.5 -80.8 -71.3 171.1 71.9 22.7 229.9 590 117 B A H >> S+ 0 0 87 1,-0.3 3,-1.3 2,-0.2 4,-0.9 0.868 128.7 47.0 -31.8 -68.9 72.6 19.0 229.5 591 118 B E H 3> S+ 0 0 128 1,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.616 102.7 60.9 -54.7 -23.4 74.3 19.4 226.1 592 119 B Q H <> S+ 0 0 33 -3,-1.8 4,-2.8 2,-0.2 -1,-0.3 0.818 97.0 59.6 -78.2 -24.8 76.6 22.3 226.9 593 120 B V H << S+ 0 0 3 -3,-1.3 -2,-0.2 -4,-1.2 -1,-0.2 0.954 109.8 44.6 -62.9 -44.8 78.5 20.3 229.6 594 121 B D H >X S+ 0 0 46 -4,-0.9 4,-3.7 2,-0.2 3,-1.1 0.900 110.5 50.8 -67.3 -42.0 79.4 17.8 226.9 595 122 B L H 3X S+ 0 0 5 -4,-1.7 4,-3.5 1,-0.3 5,-0.2 0.967 115.3 46.1 -57.8 -46.3 80.4 20.4 224.3 596 123 B M H 3< S+ 0 0 5 -4,-2.8 -1,-0.3 2,-0.2 -2,-0.2 0.411 112.1 51.4 -73.5 -4.5 82.5 21.8 227.2 597 124 B A H <> S+ 0 0 0 -3,-1.1 4,-0.7 -5,-0.1 -2,-0.2 0.779 116.7 38.6 -92.7 -51.1 83.7 18.3 227.9 598 125 B N H >X S+ 0 0 67 -4,-3.7 3,-1.5 1,-0.2 4,-1.1 0.949 112.6 55.8 -63.6 -47.9 84.7 17.7 224.3 599 126 B Y H >< S+ 0 0 1 -4,-3.5 3,-1.3 -5,-0.3 -1,-0.2 0.942 100.3 60.4 -51.7 -45.8 86.1 21.2 223.6 600 127 B L H 34 S+ 0 0 8 1,-0.3 -1,-0.3 -5,-0.2 -2,-0.2 0.746 99.2 56.8 -57.6 -24.8 88.5 20.8 226.6 601 128 B L H << S+ 0 0 36 -3,-1.5 -1,-0.3 -4,-0.7 -2,-0.2 0.789 96.7 82.3 -75.1 -29.9 90.1 17.8 224.9 602 129 B L S << S- 0 0 64 -3,-1.3 3,-0.1 -4,-1.1 -43,-0.1 -0.131 96.3 -81.7 -68.7 171.7 90.9 19.9 221.8 603 130 B D - 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0 0 22 -2,-0.5 3,-1.2 -3,-0.2 124,-0.1 -0.292 25.8-113.7 -61.4 150.2 68.6 55.1 233.9 625 152 B P G > S+ 0 0 35 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 0.876 115.2 60.9 -53.8 -38.9 70.2 58.0 235.8 626 153 B E G 3 S+ 0 0 148 1,-0.3 -2,-0.0 4,-0.0 -3,-0.0 0.828 105.2 49.0 -57.6 -35.0 67.0 60.1 235.4 627 154 B D G < S+ 0 0 119 -3,-1.2 -1,-0.3 2,-0.0 -3,-0.1 0.172 92.3 99.7 -91.6 12.6 65.0 57.5 237.3 628 155 B R S < S- 0 0 13 -3,-2.0 -4,-0.0 1,-0.2 72,-0.0 -0.677 86.4 -83.6 -98.3 159.0 67.4 57.2 240.2 629 156 B P - 0 0 16 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 -0.108 23.5-147.6 -54.2 155.4 67.0 58.9 243.6 630 157 B T S S+ 0 0 130 1,-0.2 2,-0.3 69,-0.1 -4,-0.0 0.293 86.4 22.2-103.6 2.1 68.1 62.5 243.9 631 158 B Q S S- 0 0 128 68,-0.1 -1,-0.2 0, 0.0 2,-0.1 -0.964 107.0 -70.9-161.3 157.3 69.0 61.8 247.5 632 159 B Q - 0 0 65 -2,-0.3 68,-0.2 1,-0.1 67,-0.1 -0.390 42.8-168.9 -54.0 124.9 69.8 58.8 249.7 633 160 B E + 0 0 94 66,-3.4 2,-0.3 -2,-0.1 -1,-0.1 0.146 62.1 63.0-106.7 22.1 66.5 56.9 250.1 634 161 B N S S- 0 0 23 64,-0.1 67,-0.1 2,-0.1 68,-0.1 -0.864 81.6-122.9-131.6 167.2 67.5 54.5 252.8 635 162 B D + 0 0 141 -2,-0.3 2,-0.0 66,-0.1 66,-0.0 0.127 65.5 130.7 -98.0 17.0 68.6 55.2 256.4 636 163 B W - 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